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 2hoz_1_A DATA FIRST_RESID 1007 DATA SEQUENCE FKTIKSDEIF AAAQKLMPGG VSSPVRAFKS VGGQPIVFDR VKDAYAWDVD DATA SEQUENCE GNRYIDYVGT WGPAICGHAH PEVIEALKVA MEKGTSFGAP CALENVLAEM DATA SEQUENCE VNDAVPSIEM VRFVNSGTEA CMAVLRIMRA YTGRDKIIKF EGCYHGHADM DATA SEQUENCE FLVKAGSGVA TLGLPSSPGV PKKTTANTLT TPYNDLEAVK ALFAENPGEI DATA SEQUENCE AGVILEPIVG NSGFIVPDAG FLEGLREITL EHDALLVFDE VMTGFRIAYG DATA SEQUENCE GVQEKFGVTP DLTTLGKIIG GGLPVGAYGG KREIMQLVAP AGPMYQAGTL DATA SEQUENCE SGNPLAMTAG IKTLELLRQP GTYEYLDQIT KRLSDGLLAI AQETGHAACG DATA SEQUENCE GQVSGMFGFF FTEGPVHNYE DAKKSDLQKF SRFHRGMLEQ GIYLAPSQFE DATA SEQUENCE AGFTSLAHTE EDIDATLAAA RTVMSAL 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 1007 F HA 0.000 nan 4.527 nan 0.000 0.279 1007 F C 0.000 175.811 175.800 0.018 0.000 0.967 1007 F CA 0.000 58.000 58.000 -0.000 0.000 1.383 1007 F CB 0.000 39.005 39.000 0.009 0.000 1.145 1008 K N 1.691 121.767 120.400 -0.539 0.000 2.464 1008 K HA 0.757 5.083 4.320 0.010 0.000 0.253 1008 K C -0.547 175.742 176.600 -0.519 0.000 0.933 1008 K CA -0.485 55.543 56.287 -0.431 0.000 0.801 1008 K CB 1.637 34.029 32.500 -0.180 0.000 1.271 1008 K HN 0.397 nan 8.250 nan 0.000 0.430 1009 T N -1.247 113.093 114.554 -0.357 0.000 3.533 1009 T HA 0.317 4.673 4.350 0.010 0.000 0.275 1009 T C 0.875 175.516 174.700 -0.098 0.000 1.000 1009 T CA -0.585 61.380 62.100 -0.225 0.000 1.015 1009 T CB -0.917 67.838 68.868 -0.189 0.000 1.153 1009 T HN 0.554 nan 8.240 nan 0.000 0.504 1010 I N 1.009 121.529 120.570 -0.083 0.000 2.118 1010 I HA -0.204 3.972 4.170 0.010 0.000 0.241 1010 I C 2.684 178.796 176.117 -0.009 0.000 1.070 1010 I CA 1.472 62.751 61.300 -0.035 0.000 1.327 1010 I CB -0.275 37.706 38.000 -0.032 0.000 1.034 1010 I HN 0.313 nan 8.210 nan 0.000 0.405 1011 K N 0.427 120.821 120.400 -0.009 0.000 2.097 1011 K HA -0.119 4.207 4.320 0.010 0.000 0.206 1011 K C 2.376 178.996 176.600 0.033 0.000 1.049 1011 K CA 1.605 57.900 56.287 0.013 0.000 0.933 1011 K CB -0.163 32.346 32.500 0.014 0.000 0.717 1011 K HN 0.192 nan 8.250 nan 0.000 0.442 1012 S N 1.333 117.050 115.700 0.028 0.000 2.368 1012 S HA -0.140 4.337 4.470 0.010 0.000 0.225 1012 S C 1.341 175.989 174.600 0.080 0.000 1.030 1012 S CA 1.515 59.741 58.200 0.043 0.000 0.999 1012 S CB -0.278 62.925 63.200 0.005 0.000 0.844 1012 S HN 0.267 nan 8.310 nan 0.000 0.459 1013 D N 1.296 121.731 120.400 0.058 0.000 2.116 1013 D HA -0.119 4.527 4.640 0.010 0.000 0.193 1013 D C 2.014 178.383 176.300 0.116 0.000 0.998 1013 D CA 1.185 55.248 54.000 0.104 0.000 0.836 1013 D CB -0.333 40.502 40.800 0.058 0.000 0.951 1013 D HN 0.506 nan 8.370 nan 0.000 0.449 1014 E N -0.016 120.225 120.200 0.069 0.000 2.031 1014 E HA -0.114 4.243 4.350 0.010 0.000 0.193 1014 E C 2.393 179.027 176.600 0.057 0.000 0.994 1014 E CA 0.593 57.023 56.400 0.049 0.000 0.800 1014 E CB -0.097 29.622 29.700 0.030 0.000 0.752 1014 E HN 0.291 nan 8.360 nan 0.000 0.447 1015 I N 0.448 121.063 120.570 0.075 0.000 2.226 1015 I HA -0.254 3.922 4.170 0.010 0.000 0.245 1015 I C 2.330 178.516 176.117 0.114 0.000 1.100 1015 I CA 0.856 62.203 61.300 0.079 0.000 1.374 1015 I CB -0.232 37.818 38.000 0.084 0.000 1.057 1015 I HN 0.092 nan 8.210 nan 0.000 0.413 1016 F N 1.916 121.859 119.950 -0.011 0.000 2.171 1016 F HA -0.167 4.366 4.527 0.010 0.000 0.300 1016 F C 2.448 178.244 175.800 -0.007 0.000 1.090 1016 F CA 1.131 59.122 58.000 -0.016 0.000 1.293 1016 F CB -0.459 38.522 39.000 -0.032 0.000 1.013 1016 F HN -0.005 nan 8.300 nan 0.000 0.486 1017 A N 0.298 123.078 122.820 -0.066 0.000 1.902 1017 A HA -0.043 4.283 4.320 0.010 0.000 0.217 1017 A C 2.424 179.916 177.584 -0.153 0.000 1.181 1017 A CA 1.826 53.772 52.037 -0.152 0.000 0.623 1017 A CB -1.518 17.461 19.000 -0.034 0.000 0.818 1017 A HN 0.458 nan 8.150 nan 0.000 0.443 1018 A N -0.360 122.411 122.820 -0.081 0.000 1.968 1018 A HA 0.263 4.589 4.320 0.010 0.000 0.217 1018 A C 2.433 179.967 177.584 -0.084 0.000 1.169 1018 A CA 1.708 53.707 52.037 -0.063 0.000 0.638 1018 A CB -0.837 18.149 19.000 -0.023 0.000 0.812 1018 A HN 1.006 nan 8.150 nan 0.000 0.446 1019 A N -0.667 122.091 122.820 -0.104 0.000 1.933 1019 A HA -0.185 4.141 4.320 0.010 0.000 0.218 1019 A C 2.033 179.524 177.584 -0.155 0.000 1.175 1019 A CA 1.454 53.434 52.037 -0.095 0.000 0.628 1019 A CB -0.484 18.493 19.000 -0.039 0.000 0.814 1019 A HN 0.550 nan 8.150 nan 0.000 0.444 1020 Q N 0.021 119.654 119.800 -0.279 0.000 2.234 1020 Q HA -0.193 4.153 4.340 0.010 0.000 0.206 1020 Q C 1.500 177.418 176.000 -0.136 0.000 0.980 1020 Q CA 1.657 57.305 55.803 -0.259 0.000 0.869 1020 Q CB -0.242 28.298 28.738 -0.330 0.000 0.912 1020 Q HN 0.765 nan 8.270 nan 0.000 0.436 1021 K N -0.207 120.129 120.400 -0.106 0.000 2.356 1021 K HA 0.108 4.434 4.320 0.010 0.000 0.195 1021 K C 1.916 178.488 176.600 -0.046 0.000 1.037 1021 K CA 0.279 56.527 56.287 -0.065 0.000 1.014 1021 K CB 0.407 32.875 32.500 -0.054 0.000 0.815 1021 K HN 0.129 nan 8.250 nan 0.000 0.507 1022 L N -0.193 121.001 121.223 -0.047 0.000 2.425 1022 L HA 0.246 4.593 4.340 0.010 0.000 0.215 1022 L C 0.860 177.717 176.870 -0.021 0.000 1.065 1022 L CA 0.228 55.052 54.840 -0.027 0.000 0.842 1022 L CB 0.125 42.173 42.059 -0.020 0.000 1.033 1022 L HN 0.055 nan 8.230 nan 0.000 0.474 1023 M N -0.668 118.914 119.600 -0.029 0.000 2.550 1023 M HA 0.423 4.910 4.480 0.010 0.000 0.292 1023 M C -2.627 173.659 176.300 -0.022 0.000 1.221 1023 M CA -1.865 53.426 55.300 -0.015 0.000 0.873 1023 M CB 2.152 34.753 32.600 0.002 0.000 1.727 1023 M HN -0.392 nan 8.290 nan 0.000 0.459 1024 P HA 0.078 nan 4.420 nan 0.000 0.261 1024 P C 0.781 178.083 177.300 0.003 0.000 1.203 1024 P CA 1.142 64.237 63.100 -0.008 0.000 0.767 1024 P CB 0.225 31.924 31.700 -0.003 0.000 0.785 1025 G N 3.575 112.368 108.800 -0.011 0.000 2.175 1025 G HA2 -0.217 3.750 3.960 0.010 0.000 0.265 1025 G HA3 -0.217 3.750 3.960 0.010 0.000 0.265 1025 G C 0.924 175.825 174.900 0.002 0.000 0.979 1025 G CA 0.514 45.624 45.100 0.017 0.000 0.663 1025 G HN 1.023 nan 8.290 nan 0.000 0.533 1026 G N -2.487 106.272 108.800 -0.068 0.000 2.153 1026 G HA2 0.129 4.095 3.960 0.010 0.000 0.252 1026 G HA3 0.129 4.095 3.960 0.010 0.000 0.252 1026 G C 0.849 175.834 174.900 0.143 0.000 0.994 1026 G CA 1.637 46.678 45.100 -0.099 0.000 0.698 1026 G HN 2.434 nan 8.290 nan 0.000 0.521 1027 V N -4.920 115.076 119.914 0.136 0.000 3.181 1027 V HA 0.903 5.029 4.120 0.010 0.000 0.308 1027 V C 0.766 176.904 176.094 0.075 0.000 1.214 1027 V CA 0.303 62.689 62.300 0.142 0.000 1.053 1027 V CB 1.460 33.392 31.823 0.181 0.000 1.069 1027 V HN 0.259 nan 8.190 nan 0.000 0.441 1028 S N 0.389 116.126 115.700 0.063 0.000 2.524 1028 S HA 0.326 4.802 4.470 0.010 0.000 0.216 1028 S C 0.624 175.236 174.600 0.019 0.000 0.987 1028 S CA 0.800 59.022 58.200 0.037 0.000 0.909 1028 S CB 0.054 63.279 63.200 0.041 0.000 0.781 1028 S HN 0.989 nan 8.310 nan 0.000 0.521 1029 S N 0.121 115.836 115.700 0.025 0.000 2.566 1029 S HA 0.417 4.893 4.470 0.010 0.000 0.273 1029 S C -2.408 172.195 174.600 0.004 0.000 1.157 1029 S CA -1.369 56.824 58.200 -0.012 0.000 0.938 1029 S CB 1.392 64.567 63.200 -0.041 0.000 1.087 1029 S HN -0.189 nan 8.310 nan 0.000 0.474 1030 P HA -0.169 nan 4.420 nan 0.000 0.216 1030 P C 1.536 178.849 177.300 0.021 0.000 1.167 1030 P CA 1.087 64.187 63.100 -0.000 0.000 0.914 1030 P CB 0.056 31.732 31.700 -0.040 0.000 0.793 1031 V N -0.107 119.786 119.914 -0.036 0.000 2.546 1031 V HA -0.287 3.839 4.120 0.010 0.000 0.254 1031 V C 2.219 178.393 176.094 0.133 0.000 1.076 1031 V CA 1.817 64.114 62.300 -0.005 0.000 1.087 1031 V CB -0.831 30.918 31.823 -0.124 0.000 0.674 1031 V HN 0.075 nan 8.190 nan 0.000 0.470 1032 R N 0.186 120.780 120.500 0.156 0.000 2.193 1032 R HA -0.056 4.290 4.340 0.010 0.000 0.229 1032 R C 2.134 178.583 176.300 0.249 0.000 1.110 1032 R CA 1.176 57.428 56.100 0.253 0.000 0.988 1032 R CB -0.516 29.880 30.300 0.161 0.000 0.871 1032 R HN 0.583 nan 8.270 nan 0.000 0.458 1033 A N 0.390 123.335 122.820 0.208 0.000 2.239 1033 A HA -0.060 4.266 4.320 0.010 0.000 0.209 1033 A C 0.269 177.993 177.584 0.234 0.000 1.171 1033 A CA 0.227 52.378 52.037 0.190 0.000 0.768 1033 A CB -0.452 18.701 19.000 0.255 0.000 0.790 1033 A HN 0.388 nan 8.150 nan 0.000 0.478 1034 F N -1.589 118.336 119.950 -0.042 0.000 3.048 1034 F HA -0.293 4.240 4.527 0.010 0.000 0.287 1034 F C 1.433 177.224 175.800 -0.014 0.000 0.796 1034 F CA 1.157 59.124 58.000 -0.055 0.000 1.111 1034 F CB -1.953 36.992 39.000 -0.091 0.000 1.320 1034 F HN 0.364 nan 8.300 nan 0.000 0.430 1035 K N -0.947 119.551 120.400 0.164 0.000 2.360 1035 K HA -0.082 4.244 4.320 0.010 0.000 0.201 1035 K C 1.803 178.452 176.600 0.081 0.000 1.046 1035 K CA 1.374 57.735 56.287 0.123 0.000 0.945 1035 K CB -0.201 32.366 32.500 0.111 0.000 0.750 1035 K HN 0.279 nan 8.250 nan 0.000 0.464 1036 S N 0.245 115.968 115.700 0.038 0.000 2.528 1036 S HA -0.005 4.471 4.470 0.010 0.000 0.219 1036 S C 0.818 175.429 174.600 0.019 0.000 0.985 1036 S CA 0.283 58.502 58.200 0.032 0.000 0.914 1036 S CB 0.656 63.864 63.200 0.013 0.000 0.776 1036 S HN 0.081 nan 8.310 nan 0.000 0.526 1037 V N 0.428 120.321 119.914 -0.036 0.000 2.793 1037 V HA 0.550 4.676 4.120 0.010 0.000 0.361 1037 V C 0.600 176.733 176.094 0.065 0.000 1.298 1037 V CA 0.579 62.849 62.300 -0.051 0.000 1.343 1037 V CB -0.120 31.492 31.823 -0.352 0.000 1.410 1037 V HN 0.461 nan 8.190 nan 0.000 0.656 1038 G N 0.783 109.649 108.800 0.110 0.000 2.259 1038 G HA2 -0.020 3.946 3.960 0.010 0.000 0.217 1038 G HA3 -0.020 3.946 3.960 0.010 0.000 0.217 1038 G C 1.466 176.467 174.900 0.168 0.000 1.001 1038 G CA 0.386 45.573 45.100 0.145 0.000 0.627 1038 G HN 2.048 nan 8.290 nan 0.000 0.501 1039 G N -0.724 108.201 108.800 0.207 0.000 2.179 1039 G HA2 -0.189 3.777 3.960 0.010 0.000 0.257 1039 G HA3 -0.189 3.777 3.960 0.010 0.000 0.257 1039 G C 0.212 175.166 174.900 0.090 0.000 1.010 1039 G CA 1.127 46.338 45.100 0.186 0.000 0.736 1039 G HN 1.241 nan 8.290 nan 0.000 0.513 1040 Q N 0.437 120.278 119.800 0.069 0.000 2.721 1040 Q HA 0.271 4.617 4.340 0.010 0.000 0.257 1040 Q C -2.303 173.406 176.000 -0.485 0.000 1.070 1040 Q CA -1.476 54.265 55.803 -0.104 0.000 0.910 1040 Q CB 2.075 30.850 28.738 0.062 0.000 1.163 1040 Q HN 0.485 nan 8.270 nan 0.000 0.501 1041 P HA 0.167 nan 4.420 nan 0.000 0.272 1041 P C -0.162 176.620 177.300 -0.864 0.000 1.230 1041 P CA -0.318 61.777 63.100 -1.676 0.000 0.788 1041 P CB 1.271 32.160 31.700 -1.352 0.000 0.949 1042 I N 1.782 121.965 120.570 -0.645 0.000 2.336 1042 I HA 0.167 4.343 4.170 0.010 0.000 0.292 1042 I C 0.312 176.420 176.117 -0.016 0.000 0.991 1042 I CA -0.851 60.397 61.300 -0.087 0.000 1.227 1042 I CB 1.258 39.410 38.000 0.253 0.000 1.366 1042 I HN 0.050 nan 8.210 nan 0.000 0.466 1043 V N 7.446 127.401 119.914 0.068 0.000 2.385 1043 V HA 0.300 4.426 4.120 0.010 0.000 0.269 1043 V C 0.300 176.572 176.094 0.298 0.000 1.043 1043 V CA -0.457 61.908 62.300 0.108 0.000 0.906 1043 V CB 0.420 32.294 31.823 0.085 0.000 0.995 1043 V HN 0.384 nan 8.190 nan 0.000 0.467 1044 F N 2.744 122.680 119.950 -0.024 0.000 2.418 1044 F HA 0.147 4.680 4.527 0.010 0.000 0.341 1044 F C 1.236 177.048 175.800 0.021 0.000 1.120 1044 F CA -0.163 57.827 58.000 -0.017 0.000 1.232 1044 F CB 1.355 40.310 39.000 -0.074 0.000 1.175 1044 F HN 0.582 nan 8.300 nan 0.000 0.569 1045 D N 0.410 120.921 120.400 0.186 0.000 2.597 1045 D HA 0.108 4.755 4.640 0.010 0.000 0.261 1045 D C -0.198 176.153 176.300 0.085 0.000 1.023 1045 D CA 0.230 54.299 54.000 0.114 0.000 0.927 1045 D CB 0.581 41.431 40.800 0.083 0.000 1.168 1045 D HN 0.578 nan 8.370 nan 0.000 0.491 1046 R N -0.800 119.756 120.500 0.093 0.000 2.712 1046 R HA 0.555 4.901 4.340 0.010 0.000 0.272 1046 R C -1.696 174.689 176.300 0.142 0.000 1.032 1046 R CA -1.007 55.136 56.100 0.071 0.000 0.874 1046 R CB 1.240 31.529 30.300 -0.018 0.000 1.256 1046 R HN -0.055 nan 8.270 nan 0.000 0.468 1047 V N -1.479 118.488 119.914 0.089 0.000 2.925 1047 V HA 0.900 5.026 4.120 0.010 0.000 0.311 1047 V C -1.135 175.102 176.094 0.239 0.000 1.104 1047 V CA -0.850 61.491 62.300 0.067 0.000 0.954 1047 V CB 2.027 33.508 31.823 -0.570 0.000 1.022 1047 V HN 0.955 nan 8.190 nan 0.000 0.427 1048 K N 2.140 122.806 120.400 0.443 0.000 2.557 1048 K HA 0.532 4.858 4.320 0.010 0.000 0.257 1048 K C -0.326 176.444 176.600 0.283 0.000 0.933 1048 K CA 0.289 56.802 56.287 0.377 0.000 0.820 1048 K CB 1.618 34.352 32.500 0.390 0.000 1.330 1048 K HN 0.999 nan 8.250 nan 0.000 0.432 1049 D N 1.471 121.946 120.400 0.124 0.000 3.927 1049 D HA -0.303 4.344 4.640 0.010 0.000 0.142 1049 D C 0.290 176.392 176.300 -0.330 0.000 0.830 1049 D CA 2.327 56.277 54.000 -0.083 0.000 1.091 1049 D CB -1.104 39.653 40.800 -0.072 0.000 0.495 1049 D HN 0.598 nan 8.370 nan 0.000 0.489 1050 A N 0.235 122.550 122.820 -0.843 0.000 2.423 1050 A HA 0.379 4.706 4.320 0.010 0.000 0.246 1050 A C -0.204 176.726 177.584 -1.092 0.000 1.278 1050 A CA 0.077 51.405 52.037 -1.182 0.000 0.903 1050 A CB -0.107 17.858 19.000 -1.726 0.000 0.997 1050 A HN 0.351 nan 8.150 nan 0.000 0.510 1051 Y N -1.672 118.507 120.300 -0.203 0.000 2.587 1051 Y HA 0.722 5.279 4.550 0.010 0.000 0.337 1051 Y C 0.318 175.997 175.900 -0.367 0.000 1.065 1051 Y CA -1.002 56.863 58.100 -0.393 0.000 1.126 1051 Y CB 1.658 39.669 38.460 -0.749 0.000 1.279 1051 Y HN 0.101 nan 8.280 nan 0.000 0.489 1052 A N 1.101 123.664 122.820 -0.428 0.000 2.414 1052 A HA 0.684 5.010 4.320 0.010 0.000 0.306 1052 A C -1.922 175.347 177.584 -0.526 0.000 1.054 1052 A CA -0.654 51.083 52.037 -0.499 0.000 0.724 1052 A CB 1.257 19.704 19.000 -0.922 0.000 1.267 1052 A HN 0.754 nan 8.150 nan 0.000 0.418 1053 W N 1.495 122.619 121.300 -0.294 0.000 2.532 1053 W HA 0.300 4.966 4.660 0.010 0.000 0.321 1053 W C -0.937 175.493 176.519 -0.148 0.000 1.037 1053 W CA -0.501 56.747 57.345 -0.162 0.000 1.220 1053 W CB 1.887 31.278 29.460 -0.115 0.000 1.361 1053 W HN 0.755 nan 8.180 nan 0.000 0.468 1054 D N 0.532 121.027 120.400 0.157 0.000 2.363 1054 D HA -0.050 4.597 4.640 0.010 0.000 0.240 1054 D C 1.029 177.413 176.300 0.140 0.000 1.236 1054 D CA 0.115 54.224 54.000 0.181 0.000 0.927 1054 D CB 1.675 42.592 40.800 0.194 0.000 1.150 1054 D HN 0.127 nan 8.370 nan 0.000 0.458 1055 V N 0.873 120.861 119.914 0.123 0.000 3.217 1055 V HA -0.085 4.041 4.120 0.010 0.000 0.264 1055 V C 0.673 176.798 176.094 0.052 0.000 1.135 1055 V CA 1.436 63.785 62.300 0.083 0.000 1.142 1055 V CB -0.138 31.731 31.823 0.077 0.000 0.754 1055 V HN 0.416 nan 8.190 nan 0.000 0.484 1056 D N -0.229 120.199 120.400 0.046 0.000 2.349 1056 D HA 0.228 4.874 4.640 0.010 0.000 0.214 1056 D C 1.650 177.956 176.300 0.010 0.000 1.063 1056 D CA 0.967 54.971 54.000 0.006 0.000 0.847 1056 D CB 0.941 41.717 40.800 -0.039 0.000 0.933 1056 D HN 0.598 nan 8.370 nan 0.000 0.513 1057 G N 1.502 110.332 108.800 0.051 0.000 2.213 1057 G HA2 -0.265 3.701 3.960 0.010 0.000 0.236 1057 G HA3 -0.265 3.701 3.960 0.010 0.000 0.236 1057 G C 0.231 175.161 174.900 0.050 0.000 0.991 1057 G CA -0.340 44.805 45.100 0.075 0.000 0.629 1057 G HN 0.314 nan 8.290 nan 0.000 0.517 1058 N N 0.528 119.209 118.700 -0.032 0.000 2.412 1058 N HA 0.385 5.131 4.740 0.010 0.000 0.254 1058 N C 0.292 175.559 175.510 -0.405 0.000 1.232 1058 N CA 0.354 53.273 53.050 -0.217 0.000 0.880 1058 N CB 0.389 38.748 38.487 -0.214 0.000 1.076 1058 N HN 0.528 nan 8.380 nan 0.000 0.458 1059 R N 2.267 122.406 120.500 -0.602 0.000 2.494 1059 R HA 0.365 4.711 4.340 0.010 0.000 0.305 1059 R C -1.507 174.340 176.300 -0.756 0.000 0.959 1059 R CA -0.521 55.109 56.100 -0.782 0.000 0.864 1059 R CB 0.605 30.468 30.300 -0.729 0.000 1.159 1059 R HN 0.511 nan 8.270 nan 0.000 0.446 1060 Y N 3.140 123.198 120.300 -0.403 0.000 2.570 1060 Y HA 0.454 5.010 4.550 0.010 0.000 0.345 1060 Y C 0.118 175.944 175.900 -0.123 0.000 1.014 1060 Y CA -1.124 56.866 58.100 -0.184 0.000 1.063 1060 Y CB 1.506 39.933 38.460 -0.055 0.000 1.272 1060 Y HN 0.346 nan 8.280 nan 0.000 0.477 1061 I N 2.376 123.047 120.570 0.167 0.000 2.352 1061 I HA 0.119 4.295 4.170 0.010 0.000 0.290 1061 I C -0.443 175.674 176.117 -0.001 0.000 1.036 1061 I CA -0.196 61.145 61.300 0.068 0.000 1.336 1061 I CB 0.615 38.700 38.000 0.141 0.000 1.407 1061 I HN 0.551 nan 8.210 nan 0.000 0.497 1062 D N 6.089 126.384 120.400 -0.174 0.000 2.249 1062 D HA 0.153 4.799 4.640 0.010 0.000 0.246 1062 D C -0.576 175.616 176.300 -0.179 0.000 1.114 1062 D CA -0.032 53.955 54.000 -0.022 0.000 0.854 1062 D CB 0.807 41.657 40.800 0.083 0.000 1.132 1062 D HN 0.310 nan 8.370 nan 0.000 0.461 1063 Y N 2.410 122.863 120.300 0.255 0.000 2.720 1063 Y HA 0.199 4.755 4.550 0.010 0.000 0.268 1063 Y C 1.229 177.193 175.900 0.106 0.000 1.142 1063 Y CA -0.256 57.956 58.100 0.187 0.000 1.193 1063 Y CB 0.847 39.423 38.460 0.193 0.000 1.176 1063 Y HN 0.269 nan 8.280 nan 0.000 0.542 1064 V N -1.601 118.419 119.914 0.177 0.000 3.219 1064 V HA 0.228 4.355 4.120 0.010 0.000 0.240 1064 V C 1.574 177.679 176.094 0.018 0.000 1.222 1064 V CA 0.660 62.954 62.300 -0.009 0.000 1.181 1064 V CB 0.032 31.702 31.823 -0.254 0.000 0.941 1064 V HN 0.451 nan 8.190 nan 0.000 0.471 1065 G N 1.652 110.496 108.800 0.073 0.000 2.412 1065 G HA2 -0.364 3.602 3.960 0.010 0.000 0.297 1065 G HA3 -0.364 3.602 3.960 0.010 0.000 0.297 1065 G C 0.584 175.516 174.900 0.054 0.000 0.965 1065 G CA 1.391 46.492 45.100 0.001 0.000 1.134 1065 G HN 0.855 nan 8.290 nan 0.000 0.511 1066 T N -1.644 112.981 114.554 0.119 0.000 3.799 1066 T HA -0.304 4.053 4.350 0.010 0.000 0.358 1066 T C 1.073 175.845 174.700 0.120 0.000 0.759 1066 T CA 2.207 64.356 62.100 0.082 0.000 1.869 1066 T CB -1.771 67.223 68.868 0.210 0.000 1.837 1066 T HN 2.088 nan 8.240 nan 0.000 0.762 1067 W N -2.747 118.597 121.300 0.073 0.000 4.543 1067 W HA -0.110 4.556 4.660 0.010 0.000 0.375 1067 W C 1.282 177.534 176.519 -0.446 0.000 1.434 1067 W CA 0.673 57.983 57.345 -0.058 0.000 0.818 1067 W CB -1.955 27.543 29.460 0.063 0.000 2.575 1067 W HN 1.233 nan 8.180 nan 0.000 1.345 1068 G N -3.966 104.480 108.800 -0.589 0.000 2.561 1068 G HA2 -0.278 3.689 3.960 0.010 0.000 0.203 1068 G HA3 -0.278 3.689 3.960 0.010 0.000 0.203 1068 G C -0.490 174.275 174.900 -0.225 0.000 1.101 1068 G CA 0.002 44.734 45.100 -0.614 0.000 0.711 1068 G HN 0.203 nan 8.290 nan 0.000 0.511 1069 P HA 0.065 nan 4.420 nan 0.000 0.216 1069 P C 1.525 178.809 177.300 -0.026 0.000 1.157 1069 P CA 2.458 65.545 63.100 -0.021 0.000 0.880 1069 P CB -0.149 31.570 31.700 0.033 0.000 0.791 1070 A N -0.894 121.907 122.820 -0.032 0.000 2.900 1070 A HA 0.034 4.360 4.320 0.010 0.000 0.246 1070 A C 1.531 179.059 177.584 -0.092 0.000 1.725 1070 A CA -0.016 51.981 52.037 -0.068 0.000 1.400 1070 A CB -2.009 16.878 19.000 -0.189 0.000 0.973 1070 A HN 0.213 nan 8.150 nan 0.000 0.635 1071 I N -1.306 119.236 120.570 -0.047 0.000 2.493 1071 I HA -0.181 3.995 4.170 0.010 0.000 0.254 1071 I C 1.132 177.242 176.117 -0.012 0.000 1.160 1071 I CA 1.288 62.578 61.300 -0.018 0.000 1.445 1071 I CB 0.166 38.175 38.000 0.014 0.000 1.086 1071 I HN 0.476 nan 8.210 nan 0.000 0.433 1072 C N 2.120 121.407 119.300 -0.021 0.000 2.693 1072 C HA 0.549 5.015 4.460 0.010 0.000 0.286 1072 C C 0.923 175.961 174.990 0.079 0.000 1.277 1072 C CA 0.189 59.210 59.018 0.006 0.000 1.705 1072 C CB -1.757 25.926 27.740 -0.095 0.000 1.879 1072 C HN 0.758 nan 8.230 nan 0.000 0.607 1073 G N 0.146 108.944 108.800 -0.003 0.000 2.663 1073 G HA2 -0.089 3.878 3.960 0.010 0.000 0.686 1073 G HA3 -0.089 3.878 3.960 0.010 0.000 0.686 1073 G C -0.909 173.982 174.900 -0.015 0.000 1.246 1073 G CA -0.910 44.156 45.100 -0.057 0.000 0.795 1073 G HN 0.606 nan 8.290 nan 0.000 0.627 1074 H N 0.333 119.414 119.070 0.018 0.000 2.732 1074 H HA 0.442 5.004 4.556 0.010 0.000 0.351 1074 H C 1.331 176.698 175.328 0.066 0.000 1.090 1074 H CA 0.908 56.983 56.048 0.045 0.000 1.431 1074 H CB 1.089 30.876 29.762 0.042 0.000 1.447 1074 H HN 2.095 nan 8.280 nan 0.000 0.582 1075 A N 2.324 125.273 122.820 0.215 0.000 2.511 1075 A HA -0.258 4.069 4.320 0.010 0.000 0.297 1075 A C 0.317 177.972 177.584 0.118 0.000 1.476 1075 A CA 0.621 52.739 52.037 0.135 0.000 0.757 1075 A CB -2.178 16.881 19.000 0.098 0.000 1.072 1075 A HN 0.831 nan 8.150 nan 0.000 0.413 1076 H N 1.422 120.519 119.070 0.044 0.000 2.964 1076 H HA 0.123 4.685 4.556 0.010 0.000 0.328 1076 H C -0.752 174.585 175.328 0.014 0.000 1.030 1076 H CA -0.339 55.721 56.048 0.021 0.000 1.445 1076 H CB 0.971 30.737 29.762 0.007 0.000 1.449 1076 H HN 0.339 nan 8.280 nan 0.000 0.581 1077 P HA -0.178 nan 4.420 nan 0.000 0.216 1077 P C 0.893 178.257 177.300 0.106 0.000 1.150 1077 P CA 1.361 64.446 63.100 -0.025 0.000 0.843 1077 P CB 0.353 31.983 31.700 -0.117 0.000 0.787 1078 E N -0.430 119.955 120.200 0.309 0.000 2.150 1078 E HA -0.071 4.285 4.350 0.010 0.000 0.193 1078 E C 2.154 178.840 176.600 0.143 0.000 0.985 1078 E CA 0.757 57.299 56.400 0.236 0.000 0.814 1078 E CB -0.311 29.549 29.700 0.267 0.000 0.752 1078 E HN 0.089 nan 8.360 nan 0.000 0.466 1079 V N 2.290 122.307 119.914 0.172 0.000 2.323 1079 V HA -0.228 3.898 4.120 0.010 0.000 0.244 1079 V C 2.443 178.568 176.094 0.053 0.000 1.041 1079 V CA 1.719 64.056 62.300 0.061 0.000 1.025 1079 V CB -0.563 31.288 31.823 0.047 0.000 0.656 1079 V HN 0.374 nan 8.190 nan 0.000 0.451 1080 I N -0.899 119.713 120.570 0.071 0.000 2.394 1080 I HA -0.176 4.000 4.170 0.010 0.000 0.251 1080 I C 2.349 178.483 176.117 0.028 0.000 1.136 1080 I CA 2.034 63.358 61.300 0.040 0.000 1.425 1080 I CB -0.502 37.519 38.000 0.036 0.000 1.079 1080 I HN 0.281 nan 8.210 nan 0.000 0.425 1081 E N 1.972 122.194 120.200 0.036 0.000 2.072 1081 E HA -0.128 4.228 4.350 0.010 0.000 0.191 1081 E C 2.223 178.834 176.600 0.018 0.000 0.985 1081 E CA 1.841 58.256 56.400 0.024 0.000 0.801 1081 E CB -0.269 29.449 29.700 0.030 0.000 0.750 1081 E HN 0.588 nan 8.360 nan 0.000 0.452 1082 A N 0.242 123.074 122.820 0.019 0.000 1.930 1082 A HA -0.109 4.217 4.320 0.010 0.000 0.217 1082 A C 2.260 179.844 177.584 0.000 0.000 1.175 1082 A CA 1.217 53.259 52.037 0.008 0.000 0.627 1082 A CB -0.638 18.363 19.000 0.001 0.000 0.815 1082 A HN 0.328 nan 8.150 nan 0.000 0.443 1083 L N -0.857 120.365 121.223 -0.000 0.000 2.093 1083 L HA -0.179 4.167 4.340 0.010 0.000 0.208 1083 L C 2.543 179.409 176.870 -0.007 0.000 1.085 1083 L CA 1.501 56.336 54.840 -0.010 0.000 0.755 1083 L CB -0.384 41.671 42.059 -0.007 0.000 0.904 1083 L HN 0.352 nan 8.230 nan 0.000 0.435 1084 K N -0.406 119.994 120.400 0.000 0.000 2.063 1084 K HA -0.157 4.169 4.320 0.010 0.000 0.208 1084 K C 2.000 178.602 176.600 0.003 0.000 1.048 1084 K CA 1.316 57.604 56.287 0.001 0.000 0.928 1084 K CB -0.196 32.306 32.500 0.003 0.000 0.713 1084 K HN 0.116 nan 8.250 nan 0.000 0.442 1085 V N 1.065 120.983 119.914 0.006 0.000 2.358 1085 V HA -0.228 3.898 4.120 0.010 0.000 0.246 1085 V C 2.311 178.414 176.094 0.015 0.000 1.047 1085 V CA 1.973 64.280 62.300 0.012 0.000 1.035 1085 V CB -0.652 31.179 31.823 0.014 0.000 0.658 1085 V HN 0.352 nan 8.190 nan 0.000 0.452 1086 A N 1.224 124.047 122.820 0.005 0.000 1.858 1086 A HA -0.238 4.088 4.320 0.010 0.000 0.216 1086 A C 2.261 179.836 177.584 -0.015 0.000 1.190 1086 A CA 2.324 54.360 52.037 -0.001 0.000 0.617 1086 A CB -0.549 18.434 19.000 -0.027 0.000 0.827 1086 A HN 0.616 nan 8.150 nan 0.000 0.443 1087 M N -1.305 118.280 119.600 -0.025 0.000 2.446 1087 M HA -0.077 4.409 4.480 0.010 0.000 0.263 1087 M C 1.579 177.875 176.300 -0.006 0.000 1.066 1087 M CA 2.065 57.346 55.300 -0.031 0.000 1.087 1087 M CB -0.663 31.920 32.600 -0.028 0.000 1.406 1087 M HN 0.329 nan 8.290 nan 0.000 0.459 1088 E N 1.963 122.169 120.200 0.010 0.000 2.153 1088 E HA -0.092 4.264 4.350 0.010 0.000 0.194 1088 E C 1.289 177.916 176.600 0.046 0.000 0.988 1088 E CA 1.254 57.667 56.400 0.023 0.000 0.811 1088 E CB 0.050 29.764 29.700 0.023 0.000 0.746 1088 E HN 0.561 nan 8.360 nan 0.000 0.466 1089 K N -0.729 119.712 120.400 0.069 0.000 2.417 1089 K HA 0.282 4.608 4.320 0.010 0.000 0.196 1089 K C -0.160 176.561 176.600 0.202 0.000 1.023 1089 K CA 0.377 56.749 56.287 0.142 0.000 1.122 1089 K CB 0.942 33.556 32.500 0.192 0.000 0.850 1089 K HN 0.158 nan 8.250 nan 0.000 0.521 1090 G N 1.246 110.088 108.800 0.069 0.000 3.069 1090 G HA2 -0.202 3.764 3.960 0.010 0.000 0.686 1090 G HA3 -0.202 3.764 3.960 0.010 0.000 0.686 1090 G C 0.427 175.208 174.900 -0.199 0.000 1.161 1090 G CA -0.316 44.787 45.100 0.006 0.000 0.804 1090 G HN 0.093 nan 8.290 nan 0.000 0.608 1091 T N -1.947 112.510 114.554 -0.162 0.000 3.035 1091 T HA 0.473 4.829 4.350 0.010 0.000 0.268 1091 T C 1.122 175.645 174.700 -0.296 0.000 1.109 1091 T CA 1.594 63.577 62.100 -0.195 0.000 1.119 1091 T CB 0.180 68.986 68.868 -0.105 0.000 0.900 1091 T HN 2.025 nan 8.240 nan 0.000 0.503 1092 S N -1.194 114.289 115.700 -0.361 0.000 2.542 1092 S HA 0.573 5.049 4.470 0.010 0.000 0.276 1092 S C -1.013 173.438 174.600 -0.249 0.000 1.148 1092 S CA -0.829 57.162 58.200 -0.348 0.000 0.886 1092 S CB 0.652 63.771 63.200 -0.135 0.000 1.109 1092 S HN 0.046 nan 8.310 nan 0.000 0.458 1093 F N 2.184 122.137 119.950 0.005 0.000 2.592 1093 F HA 0.429 4.962 4.527 0.010 0.000 0.280 1093 F C 2.199 178.007 175.800 0.013 0.000 1.083 1093 F CA 0.457 58.462 58.000 0.008 0.000 1.365 1093 F CB -0.538 38.466 39.000 0.006 0.000 1.100 1093 F HN 0.980 nan 8.300 nan 0.000 0.633 1094 G N 0.766 109.682 108.800 0.192 0.000 2.153 1094 G HA2 0.031 3.997 3.960 0.010 0.000 0.252 1094 G HA3 0.031 3.997 3.960 0.010 0.000 0.252 1094 G C 0.144 175.118 174.900 0.122 0.000 0.994 1094 G CA 0.317 45.491 45.100 0.123 0.000 0.698 1094 G HN 0.828 nan 8.290 nan 0.000 0.521 1095 A N -1.103 121.814 122.820 0.162 0.000 2.593 1095 A HA 0.911 5.237 4.320 0.010 0.000 0.290 1095 A C -2.796 174.860 177.584 0.121 0.000 1.126 1095 A CA -0.965 51.135 52.037 0.105 0.000 0.695 1095 A CB 0.834 19.868 19.000 0.057 0.000 1.290 1095 A HN 0.153 nan 8.150 nan 0.000 0.414 1096 P HA 0.399 nan 4.420 nan 0.000 0.267 1096 P C -0.451 176.884 177.300 0.059 0.000 1.200 1096 P CA 0.014 63.157 63.100 0.071 0.000 0.772 1096 P CB 0.175 31.898 31.700 0.038 0.000 0.855 1097 C N -0.131 119.231 119.300 0.104 0.000 2.888 1097 C HA 0.792 5.258 4.460 0.010 0.000 0.308 1097 C C 1.545 176.584 174.990 0.083 0.000 1.213 1097 C CA -0.212 58.864 59.018 0.098 0.000 1.461 1097 C CB 1.054 28.995 27.740 0.335 0.000 1.934 1097 C HN 0.648 nan 8.230 nan 0.000 0.474 1098 A N 1.325 124.177 122.820 0.053 0.000 2.024 1098 A HA -0.034 4.292 4.320 0.010 0.000 0.220 1098 A C 1.867 179.485 177.584 0.056 0.000 1.164 1098 A CA 1.725 53.790 52.037 0.046 0.000 0.643 1098 A CB -0.613 18.405 19.000 0.029 0.000 0.806 1098 A HN 0.965 nan 8.150 nan 0.000 0.451 1099 L N -0.969 120.293 121.223 0.065 0.000 2.191 1099 L HA -0.194 4.152 4.340 0.010 0.000 0.212 1099 L C 2.479 179.357 176.870 0.012 0.000 1.103 1099 L CA 1.369 56.228 54.840 0.031 0.000 0.769 1099 L CB -0.469 41.602 42.059 0.019 0.000 0.908 1099 L HN 0.486 nan 8.230 nan 0.000 0.438 1100 E N -0.006 120.224 120.200 0.050 0.000 2.072 1100 E HA -0.188 4.169 4.350 0.010 0.000 0.191 1100 E C 1.863 178.586 176.600 0.205 0.000 0.985 1100 E CA 1.179 57.644 56.400 0.110 0.000 0.801 1100 E CB -0.023 29.777 29.700 0.168 0.000 0.750 1100 E HN 0.449 nan 8.360 nan 0.000 0.452 1101 N N 0.183 118.961 118.700 0.130 0.000 2.069 1101 N HA -0.147 4.599 4.740 0.010 0.000 0.191 1101 N C 1.797 177.372 175.510 0.107 0.000 1.031 1101 N CA 0.963 54.079 53.050 0.109 0.000 0.852 1101 N CB -0.320 38.207 38.487 0.068 0.000 1.018 1101 N HN -0.042 nan 8.380 nan 0.000 0.423 1102 V N 1.070 121.033 119.914 0.082 0.000 2.255 1102 V HA -0.185 3.941 4.120 0.010 0.000 0.247 1102 V C 2.304 178.451 176.094 0.088 0.000 1.051 1102 V CA 1.328 63.668 62.300 0.068 0.000 1.018 1102 V CB -0.594 31.253 31.823 0.040 0.000 0.641 1102 V HN 0.347 nan 8.190 nan 0.000 0.445 1103 L N -0.294 120.980 121.223 0.086 0.000 2.046 1103 L HA -0.172 4.174 4.340 0.010 0.000 0.208 1103 L C 2.658 179.711 176.870 0.304 0.000 1.077 1103 L CA 1.779 56.687 54.840 0.113 0.000 0.747 1103 L CB -0.640 41.372 42.059 -0.079 0.000 0.896 1103 L HN 0.403 nan 8.230 nan 0.000 0.432 1104 A N -0.069 123.001 122.820 0.418 0.000 1.873 1104 A HA -0.291 4.035 4.320 0.010 0.000 0.218 1104 A C 2.007 179.666 177.584 0.124 0.000 1.193 1104 A CA 2.065 54.251 52.037 0.249 0.000 0.629 1104 A CB -0.629 18.450 19.000 0.132 0.000 0.826 1104 A HN 0.539 nan 8.150 nan 0.000 0.447 1105 E N -0.772 119.495 120.200 0.111 0.000 2.058 1105 E HA -0.219 4.137 4.350 0.010 0.000 0.194 1105 E C 2.158 178.823 176.600 0.108 0.000 0.997 1105 E CA 1.630 58.081 56.400 0.085 0.000 0.801 1105 E CB -0.298 29.446 29.700 0.075 0.000 0.746 1105 E HN 0.673 nan 8.360 nan 0.000 0.450 1106 M N 0.252 119.929 119.600 0.129 0.000 2.108 1106 M HA -0.176 4.310 4.480 0.010 0.000 0.261 1106 M C 2.435 178.850 176.300 0.190 0.000 1.066 1106 M CA 1.161 56.558 55.300 0.161 0.000 1.107 1106 M CB -0.207 32.472 32.600 0.132 0.000 1.356 1106 M HN 0.029 nan 8.290 nan 0.000 0.406 1107 V N 0.903 120.927 119.914 0.184 0.000 2.295 1107 V HA -0.266 3.860 4.120 0.010 0.000 0.246 1107 V C 2.056 178.229 176.094 0.131 0.000 1.049 1107 V CA 1.727 64.164 62.300 0.228 0.000 1.024 1107 V CB -0.889 31.056 31.823 0.203 0.000 0.648 1107 V HN 0.467 nan 8.190 nan 0.000 0.447 1108 N N 0.547 119.293 118.700 0.077 0.000 2.058 1108 N HA -0.167 4.579 4.740 0.010 0.000 0.191 1108 N C 1.561 177.102 175.510 0.052 0.000 1.037 1108 N CA 1.812 54.882 53.050 0.034 0.000 0.848 1108 N CB -0.576 37.920 38.487 0.015 0.000 1.021 1108 N HN 0.465 nan 8.380 nan 0.000 0.422 1109 D N 0.764 121.216 120.400 0.087 0.000 2.218 1109 D HA -0.061 4.585 4.640 0.010 0.000 0.204 1109 D C 1.718 178.100 176.300 0.136 0.000 0.976 1109 D CA 0.840 54.903 54.000 0.105 0.000 0.853 1109 D CB -0.151 40.726 40.800 0.129 0.000 0.939 1109 D HN 0.269 nan 8.370 nan 0.000 0.481 1110 A N 0.576 123.488 122.820 0.152 0.000 1.855 1110 A HA 0.006 4.332 4.320 0.010 0.000 0.213 1110 A C 1.304 178.843 177.584 -0.076 0.000 1.195 1110 A CA 0.652 52.745 52.037 0.094 0.000 0.610 1110 A CB -0.188 18.797 19.000 -0.024 0.000 0.837 1110 A HN 0.162 nan 8.150 nan 0.000 0.444 1111 V N -0.714 119.134 119.914 -0.110 0.000 2.370 1111 V HA 0.405 4.531 4.120 0.010 0.000 0.279 1111 V C -1.866 174.184 176.094 -0.074 0.000 1.029 1111 V CA -1.815 60.395 62.300 -0.149 0.000 0.870 1111 V CB 1.371 33.068 31.823 -0.209 0.000 0.984 1111 V HN 0.214 nan 8.190 nan 0.000 0.451 1112 P HA -0.263 nan 4.420 nan 0.000 0.216 1112 P C 1.899 179.164 177.300 -0.058 0.000 1.151 1112 P CA 2.952 66.024 63.100 -0.046 0.000 0.953 1112 P CB -0.020 31.656 31.700 -0.041 0.000 0.789 1113 S N -1.436 114.215 115.700 -0.081 0.000 2.474 1113 S HA -0.073 4.403 4.470 0.010 0.000 0.235 1113 S C 0.927 175.475 174.600 -0.087 0.000 0.997 1113 S CA 0.532 58.672 58.200 -0.099 0.000 0.949 1113 S CB -1.259 61.854 63.200 -0.145 0.000 0.766 1113 S HN 0.051 nan 8.310 nan 0.000 0.517 1114 I N 2.200 122.727 120.570 -0.072 0.000 2.322 1114 I HA 0.202 4.378 4.170 0.010 0.000 0.292 1114 I C 0.781 176.862 176.117 -0.061 0.000 1.060 1114 I CA -0.059 61.199 61.300 -0.070 0.000 1.309 1114 I CB 0.897 38.862 38.000 -0.059 0.000 1.415 1114 I HN 0.295 nan 8.210 nan 0.000 0.492 1115 E N 5.878 126.035 120.200 -0.072 0.000 2.490 1115 E HA 0.275 4.631 4.350 0.010 0.000 0.209 1115 E C 0.053 176.610 176.600 -0.071 0.000 0.971 1115 E CA 0.102 56.467 56.400 -0.058 0.000 0.988 1115 E CB 1.152 30.819 29.700 -0.055 0.000 1.029 1115 E HN 0.577 nan 8.360 nan 0.000 0.496 1116 M N 1.327 120.865 119.600 -0.103 0.000 2.426 1116 M HA 0.274 4.760 4.480 0.010 0.000 0.289 1116 M C -2.115 174.059 176.300 -0.210 0.000 1.168 1116 M CA -0.787 54.431 55.300 -0.137 0.000 0.933 1116 M CB 2.218 34.746 32.600 -0.120 0.000 1.750 1116 M HN -0.114 nan 8.290 nan 0.000 0.494 1117 V N 0.823 120.555 119.914 -0.303 0.000 3.049 1117 V HA 0.869 4.995 4.120 0.010 0.000 0.309 1117 V C -1.409 174.306 176.094 -0.632 0.000 1.148 1117 V CA -0.833 61.185 62.300 -0.471 0.000 0.990 1117 V CB 1.898 33.403 31.823 -0.529 0.000 1.039 1117 V HN 0.981 nan 8.190 nan 0.000 0.430 1118 R N 1.935 121.973 120.500 -0.769 0.000 2.439 1118 R HA 0.643 4.990 4.340 0.010 0.000 0.310 1118 R C -1.568 174.402 176.300 -0.551 0.000 0.955 1118 R CA -0.913 54.770 56.100 -0.694 0.000 0.853 1118 R CB 0.793 30.570 30.300 -0.871 0.000 1.171 1118 R HN 0.687 nan 8.270 nan 0.000 0.449 1119 F N 4.409 124.285 119.950 -0.123 0.000 2.389 1119 F HA 0.420 4.952 4.527 0.008 0.000 0.337 1119 F C 1.014 176.822 175.800 0.014 0.000 1.112 1119 F CA -0.048 57.929 58.000 -0.038 0.000 1.192 1119 F CB 1.098 40.084 39.000 -0.024 0.000 1.185 1119 F HN 0.380 nan 8.300 nan 0.000 0.552 1120 V N -0.372 119.699 119.914 0.262 0.000 3.204 1120 V HA 0.508 4.634 4.120 0.010 0.000 0.308 1120 V C -0.618 175.560 176.094 0.140 0.000 1.324 1120 V CA -0.957 61.455 62.300 0.186 0.000 1.042 1120 V CB 1.832 33.775 31.823 0.199 0.000 1.167 1120 V HN 0.657 nan 8.190 nan 0.000 0.478 1121 N N 0.617 119.379 118.700 0.104 0.000 2.200 1121 N HA 0.479 5.225 4.740 0.010 0.000 0.224 1121 N C -0.259 175.295 175.510 0.074 0.000 1.179 1121 N CA 0.540 53.636 53.050 0.077 0.000 0.877 1121 N CB 0.721 39.245 38.487 0.061 0.000 1.072 1121 N HN 1.003 nan 8.380 nan 0.000 0.519 1122 S N -3.142 112.607 115.700 0.081 0.000 2.645 1122 S HA 0.422 4.898 4.470 0.010 0.000 0.268 1122 S C 0.726 175.364 174.600 0.064 0.000 1.110 1122 S CA -0.573 57.670 58.200 0.072 0.000 0.823 1122 S CB 0.538 63.780 63.200 0.070 0.000 1.091 1122 S HN -0.021 nan 8.310 nan 0.000 0.466 1123 G N 0.681 109.511 108.800 0.051 0.000 2.408 1123 G HA2 0.009 3.975 3.960 0.010 0.000 0.217 1123 G HA3 0.009 3.975 3.960 0.010 0.000 0.217 1123 G C 1.090 175.967 174.900 -0.038 0.000 1.150 1123 G CA 1.489 46.603 45.100 0.022 0.000 0.776 1123 G HN 0.810 nan 8.290 nan 0.000 0.542 1124 T N 0.910 115.434 114.554 -0.050 0.000 2.684 1124 T HA -0.093 4.263 4.350 0.010 0.000 0.267 1124 T C 2.206 176.855 174.700 -0.084 0.000 1.036 1124 T CA 1.570 63.598 62.100 -0.120 0.000 1.148 1124 T CB -0.168 68.609 68.868 -0.150 0.000 0.863 1124 T HN 0.458 nan 8.240 nan 0.000 0.436 1125 E N 0.807 120.987 120.200 -0.034 0.000 2.072 1125 E HA -0.050 4.306 4.350 0.010 0.000 0.191 1125 E C 2.587 179.167 176.600 -0.034 0.000 0.985 1125 E CA 0.909 57.297 56.400 -0.020 0.000 0.801 1125 E CB -0.202 29.516 29.700 0.030 0.000 0.750 1125 E HN 0.471 nan 8.360 nan 0.000 0.452 1126 A N 0.971 123.800 122.820 0.015 0.000 1.877 1126 A HA -0.205 4.121 4.320 0.010 0.000 0.216 1126 A C 2.466 179.997 177.584 -0.088 0.000 1.186 1126 A CA 1.384 53.444 52.037 0.038 0.000 0.620 1126 A CB -0.880 18.191 19.000 0.119 0.000 0.822 1126 A HN 0.362 nan 8.150 nan 0.000 0.443 1127 C N 0.005 119.269 119.300 -0.060 0.000 2.440 1127 C HA -0.089 4.377 4.460 0.010 0.000 0.278 1127 C C 2.996 178.034 174.990 0.079 0.000 1.295 1127 C CA 1.237 60.230 59.018 -0.042 0.000 1.738 1127 C CB -1.319 26.306 27.740 -0.191 0.000 1.987 1127 C HN 0.805 nan 8.230 nan 0.000 0.492 1128 M N 1.348 120.986 119.600 0.063 0.000 2.229 1128 M HA 0.010 4.496 4.480 0.010 0.000 0.264 1128 M C 2.177 178.398 176.300 -0.132 0.000 1.063 1128 M CA 2.279 57.599 55.300 0.033 0.000 1.114 1128 M CB -0.714 31.878 32.600 -0.012 0.000 1.387 1128 M HN 0.194 nan 8.290 nan 0.000 0.420 1129 A N 0.702 123.349 122.820 -0.288 0.000 1.897 1129 A HA -0.013 4.313 4.320 0.010 0.000 0.215 1129 A C 2.271 179.505 177.584 -0.583 0.000 1.181 1129 A CA 1.476 53.188 52.037 -0.541 0.000 0.620 1129 A CB -1.054 17.332 19.000 -1.022 0.000 0.821 1129 A HN 0.357 nan 8.150 nan 0.000 0.443 1130 V N -0.497 119.103 119.914 -0.523 0.000 2.490 1130 V HA -0.178 3.948 4.120 0.010 0.000 0.250 1130 V C 2.352 178.378 176.094 -0.114 0.000 1.061 1130 V CA 2.065 64.214 62.300 -0.252 0.000 1.064 1130 V CB -0.314 31.454 31.823 -0.092 0.000 0.670 1130 V HN 0.541 nan 8.190 nan 0.000 0.461 1131 L N 0.142 121.315 121.223 -0.084 0.000 2.056 1131 L HA -0.093 4.253 4.340 0.010 0.000 0.207 1131 L C 2.604 179.423 176.870 -0.084 0.000 1.078 1131 L CA 2.321 57.125 54.840 -0.059 0.000 0.749 1131 L CB -0.616 41.395 42.059 -0.080 0.000 0.901 1131 L HN 0.260 nan 8.230 nan 0.000 0.433 1132 R N -0.836 119.600 120.500 -0.106 0.000 2.120 1132 R HA -0.175 4.171 4.340 0.010 0.000 0.234 1132 R C 2.198 178.477 176.300 -0.035 0.000 1.123 1132 R CA 1.658 57.713 56.100 -0.075 0.000 0.975 1132 R CB -0.346 29.907 30.300 -0.079 0.000 0.866 1132 R HN 0.403 nan 8.270 nan 0.000 0.446 1133 I N 0.379 120.924 120.570 -0.042 0.000 2.439 1133 I HA -0.183 3.993 4.170 0.010 0.000 0.251 1133 I C 1.701 177.856 176.117 0.063 0.000 1.139 1133 I CA 1.425 62.741 61.300 0.027 0.000 1.438 1133 I CB 0.027 38.055 38.000 0.047 0.000 1.085 1133 I HN 0.239 nan 8.210 nan 0.000 0.427 1134 M N -0.370 119.248 119.600 0.029 0.000 2.117 1134 M HA -0.169 4.317 4.480 0.010 0.000 0.262 1134 M C 2.320 178.665 176.300 0.076 0.000 1.065 1134 M CA 1.659 56.993 55.300 0.057 0.000 1.114 1134 M CB -0.544 32.067 32.600 0.018 0.000 1.361 1134 M HN 0.110 nan 8.290 nan 0.000 0.408 1135 R N 0.294 120.809 120.500 0.026 0.000 2.115 1135 R HA 0.024 4.371 4.340 0.010 0.000 0.226 1135 R C 2.360 178.677 176.300 0.028 0.000 1.100 1135 R CA 1.289 57.396 56.100 0.010 0.000 0.980 1135 R CB -0.472 29.812 30.300 -0.027 0.000 0.875 1135 R HN 0.368 nan 8.270 nan 0.000 0.445 1136 A N 0.562 123.411 122.820 0.049 0.000 1.897 1136 A HA -0.186 4.141 4.320 0.010 0.000 0.215 1136 A C 1.954 179.585 177.584 0.078 0.000 1.181 1136 A CA 0.883 52.953 52.037 0.055 0.000 0.620 1136 A CB -0.602 18.438 19.000 0.066 0.000 0.821 1136 A HN 0.389 nan 8.150 nan 0.000 0.443 1137 Y N 1.667 121.969 120.300 0.003 0.000 2.242 1137 Y HA -0.170 4.386 4.550 0.009 0.000 0.291 1137 Y C 2.676 178.580 175.900 0.006 0.000 1.137 1137 Y CA 2.283 60.386 58.100 0.006 0.000 1.181 1137 Y CB -0.183 38.282 38.460 0.008 0.000 0.989 1137 Y HN 0.423 nan 8.280 nan 0.000 0.527 1138 T N -4.399 110.168 114.554 0.021 0.000 3.037 1138 T HA 0.283 4.639 4.350 0.010 0.000 0.252 1138 T C 1.735 176.404 174.700 -0.053 0.000 1.073 1138 T CA 0.526 62.602 62.100 -0.040 0.000 1.091 1138 T CB -0.242 68.668 68.868 0.070 0.000 0.935 1138 T HN 0.556 nan 8.240 nan 0.000 0.488 1139 G N 1.900 110.680 108.800 -0.034 0.000 2.162 1139 G HA2 -0.266 3.700 3.960 0.010 0.000 0.260 1139 G HA3 -0.266 3.700 3.960 0.010 0.000 0.260 1139 G C 0.091 174.977 174.900 -0.024 0.000 0.976 1139 G CA 0.103 45.183 45.100 -0.033 0.000 0.655 1139 G HN 0.712 nan 8.290 nan 0.000 0.533 1140 R N -0.265 120.225 120.500 -0.016 0.000 2.540 1140 R HA 0.536 4.882 4.340 0.010 0.000 0.287 1140 R C 0.128 176.406 176.300 -0.037 0.000 0.980 1140 R CA -0.677 55.409 56.100 -0.024 0.000 0.966 1140 R CB 0.963 31.254 30.300 -0.015 0.000 1.106 1140 R HN 0.015 nan 8.270 nan 0.000 0.480 1141 D N 1.182 121.552 120.400 -0.051 0.000 2.338 1141 D HA 0.003 4.649 4.640 0.010 0.000 0.208 1141 D C -0.219 176.028 176.300 -0.088 0.000 0.997 1141 D CA 0.871 54.832 54.000 -0.065 0.000 0.880 1141 D CB 0.483 41.246 40.800 -0.062 0.000 0.980 1141 D HN 0.270 nan 8.370 nan 0.000 0.509 1142 K N 1.186 121.526 120.400 -0.100 0.000 2.298 1142 K HA 0.259 4.585 4.320 0.010 0.000 0.280 1142 K C -0.018 176.491 176.600 -0.152 0.000 1.032 1142 K CA -0.125 56.083 56.287 -0.132 0.000 0.958 1142 K CB 1.685 34.094 32.500 -0.151 0.000 0.978 1142 K HN -0.102 nan 8.250 nan 0.000 0.472 1143 I N 3.802 124.278 120.570 -0.157 0.000 2.646 1143 I HA 0.382 4.558 4.170 0.010 0.000 0.299 1143 I C 0.011 176.025 176.117 -0.172 0.000 1.036 1143 I CA -0.825 60.386 61.300 -0.149 0.000 1.074 1143 I CB 1.625 39.548 38.000 -0.127 0.000 1.258 1143 I HN 0.525 nan 8.210 nan 0.000 0.430 1144 I N 5.324 125.782 120.570 -0.188 0.000 2.355 1144 I HA 0.290 4.466 4.170 0.010 0.000 0.288 1144 I C -0.036 175.944 176.117 -0.230 0.000 0.999 1144 I CA -0.558 60.593 61.300 -0.249 0.000 1.163 1144 I CB 1.271 39.073 38.000 -0.330 0.000 1.316 1144 I HN 0.602 nan 8.210 nan 0.000 0.454 1145 K N 5.233 125.512 120.400 -0.202 0.000 2.352 1145 K HA 0.695 5.021 4.320 0.010 0.000 0.240 1145 K C -1.427 175.035 176.600 -0.230 0.000 1.017 1145 K CA -0.713 55.543 56.287 -0.052 0.000 0.851 1145 K CB 1.797 34.434 32.500 0.228 0.000 1.261 1145 K HN 0.142 nan 8.250 nan 0.000 0.451 1146 F N 0.771 120.877 119.950 0.260 0.000 2.443 1146 F HA 0.257 4.790 4.527 0.010 0.000 0.335 1146 F C 0.527 176.413 175.800 0.143 0.000 1.104 1146 F CA -0.722 57.422 58.000 0.240 0.000 1.013 1146 F CB 1.827 41.071 39.000 0.407 0.000 1.136 1146 F HN 0.634 nan 8.300 nan 0.000 0.470 1147 E N 1.352 121.709 120.200 0.261 0.000 2.415 1147 E HA 0.314 4.671 4.350 0.010 0.000 0.263 1147 E C 0.981 177.581 176.600 0.001 0.000 0.995 1147 E CA 1.083 57.529 56.400 0.077 0.000 0.915 1147 E CB 0.345 30.110 29.700 0.107 0.000 0.951 1147 E HN 0.923 nan 8.360 nan 0.000 0.449 1148 G N 3.193 111.810 108.800 -0.304 0.000 2.232 1148 G HA2 -0.258 3.708 3.960 0.010 0.000 0.226 1148 G HA3 -0.258 3.708 3.960 0.010 0.000 0.226 1148 G C 0.140 174.926 174.900 -0.190 0.000 0.996 1148 G CA -0.025 44.850 45.100 -0.375 0.000 0.626 1148 G HN 0.642 nan 8.290 nan 0.000 0.509 1149 C N 0.563 119.808 119.300 -0.092 0.000 2.405 1149 C HA 0.726 5.192 4.460 0.010 0.000 0.365 1149 C C 0.014 174.823 174.990 -0.301 0.000 1.233 1149 C CA -0.522 58.409 59.018 -0.145 0.000 2.230 1149 C CB 0.479 28.235 27.740 0.027 0.000 2.443 1149 C HN 0.418 nan 8.230 nan 0.000 0.556 1150 Y N 2.198 122.149 120.300 -0.582 0.000 2.409 1150 Y HA 0.460 5.016 4.550 0.011 0.000 0.343 1150 Y C 0.378 175.798 175.900 -0.800 0.000 0.973 1150 Y CA -0.481 57.280 58.100 -0.565 0.000 1.064 1150 Y CB 0.697 38.980 38.460 -0.294 0.000 1.207 1150 Y HN 0.773 nan 8.280 nan 0.000 0.452 1151 H N 4.237 122.719 119.070 -0.979 0.000 2.651 1151 H HA 0.448 5.010 4.556 0.010 0.000 0.241 1151 H C 0.617 175.220 175.328 -1.208 0.000 1.225 1151 H CA 0.047 55.446 56.048 -1.081 0.000 0.942 1151 H CB 0.385 29.275 29.762 -1.453 0.000 1.996 1151 H HN 0.942 nan 8.280 nan 0.000 0.600 1152 G N 1.347 109.298 108.800 -1.416 0.000 2.685 1152 G HA2 -0.245 3.721 3.960 0.010 0.000 0.387 1152 G HA3 -0.245 3.721 3.960 0.010 0.000 0.387 1152 G C -0.008 174.641 174.900 -0.419 0.000 1.324 1152 G CA -0.225 44.412 45.100 -0.773 0.000 0.878 1152 G HN 0.658 nan 8.290 nan 0.000 0.527 1153 H N -0.939 118.108 119.070 -0.037 0.000 2.507 1153 H HA 0.746 5.308 4.556 0.010 0.000 0.294 1153 H C 1.129 176.545 175.328 0.147 0.000 1.064 1153 H CA 0.807 56.925 56.048 0.117 0.000 1.138 1153 H CB -0.100 29.746 29.762 0.141 0.000 1.515 1153 H HN 1.177 nan 8.280 nan 0.000 0.547 1154 A N 0.730 123.564 122.820 0.022 0.000 2.498 1154 A HA -0.025 4.301 4.320 0.010 0.000 0.239 1154 A C 0.843 178.460 177.584 0.055 0.000 1.068 1154 A CA 0.113 52.161 52.037 0.018 0.000 0.766 1154 A CB 0.165 19.205 19.000 0.066 0.000 1.003 1154 A HN 0.513 nan 8.150 nan 0.000 0.497 1155 D N 1.765 122.163 120.400 -0.003 0.000 2.157 1155 D HA -0.244 4.402 4.640 0.010 0.000 0.191 1155 D C 1.838 178.087 176.300 -0.086 0.000 1.004 1155 D CA 2.511 56.502 54.000 -0.014 0.000 0.854 1155 D CB -0.369 40.414 40.800 -0.028 0.000 0.936 1155 D HN 0.659 nan 8.370 nan 0.000 0.446 1156 M N -0.829 118.626 119.600 -0.242 0.000 2.143 1156 M HA -0.155 4.332 4.480 0.010 0.000 0.258 1156 M C 1.936 178.030 176.300 -0.343 0.000 1.071 1156 M CA 1.406 56.478 55.300 -0.379 0.000 1.088 1156 M CB -0.729 31.477 32.600 -0.656 0.000 1.360 1156 M HN 0.035 nan 8.290 nan 0.000 0.404 1157 F N -0.925 119.015 119.950 -0.015 0.000 2.615 1157 F HA 0.040 4.573 4.527 0.010 0.000 0.297 1157 F C 0.684 176.496 175.800 0.020 0.000 1.124 1157 F CA -0.198 57.806 58.000 0.006 0.000 1.451 1157 F CB -0.162 38.833 39.000 -0.007 0.000 1.103 1157 F HN -0.045 nan 8.300 nan 0.000 0.569 1158 L N 1.694 123.015 121.223 0.163 0.000 2.511 1158 L HA 0.165 4.511 4.340 0.010 0.000 0.239 1158 L C -0.005 176.903 176.870 0.063 0.000 1.400 1158 L CA -0.160 54.753 54.840 0.121 0.000 1.226 1158 L CB -0.804 41.322 42.059 0.111 0.000 1.475 1158 L HN -0.121 nan 8.230 nan 0.000 0.428 1159 V N 0.980 120.930 119.914 0.060 0.000 2.769 1159 V HA 0.430 4.556 4.120 0.010 0.000 0.312 1159 V C 0.280 176.385 176.094 0.019 0.000 1.061 1159 V CA -1.036 61.280 62.300 0.026 0.000 0.931 1159 V CB 2.233 34.062 31.823 0.011 0.000 1.010 1159 V HN 0.457 nan 8.190 nan 0.000 0.433 1160 K N 3.883 124.288 120.400 0.009 0.000 2.382 1160 K HA 0.611 4.937 4.320 0.010 0.000 0.275 1160 K C -0.148 176.454 176.600 0.005 0.000 1.009 1160 K CA 0.324 56.614 56.287 0.006 0.000 0.970 1160 K CB 1.268 33.772 32.500 0.007 0.000 0.934 1160 K HN 0.876 nan 8.250 nan 0.000 0.479 1161 A N 1.373 124.195 122.820 0.004 0.000 2.435 1161 A HA 0.901 5.227 4.320 0.010 0.000 0.296 1161 A C -0.294 177.313 177.584 0.038 0.000 1.147 1161 A CA -0.170 51.876 52.037 0.014 0.000 0.775 1161 A CB 1.842 20.842 19.000 -0.000 0.000 1.340 1161 A HN 0.791 nan 8.150 nan 0.000 0.427 1162 G N -0.887 107.945 108.800 0.053 0.000 2.459 1162 G HA2 0.382 4.348 3.960 0.010 0.000 0.685 1162 G HA3 0.382 4.348 3.960 0.010 0.000 0.685 1162 G C -0.347 174.579 174.900 0.042 0.000 1.303 1162 G CA -0.340 44.799 45.100 0.065 0.000 0.907 1162 G HN 1.490 nan 8.290 nan 0.000 0.632 1163 S N 0.171 115.894 115.700 0.038 0.000 2.563 1163 S HA 0.425 4.902 4.470 0.010 0.000 0.294 1163 S C 1.640 176.250 174.600 0.017 0.000 1.279 1163 S CA 1.759 59.974 58.200 0.025 0.000 1.069 1163 S CB 0.940 64.152 63.200 0.020 0.000 0.828 1163 S HN 2.606 nan 8.310 nan 0.000 0.497 1164 G N 1.004 109.811 108.800 0.012 0.000 2.254 1164 G HA2 -0.283 3.683 3.960 0.010 0.000 0.225 1164 G HA3 -0.283 3.683 3.960 0.010 0.000 0.225 1164 G C 0.524 175.427 174.900 0.005 0.000 1.003 1164 G CA 0.290 45.395 45.100 0.008 0.000 0.622 1164 G HN 1.649 nan 8.290 nan 0.000 0.507 1165 V N -2.860 117.058 119.914 0.006 0.000 3.276 1165 V HA 0.791 4.917 4.120 0.010 0.000 0.319 1165 V C 2.067 178.158 176.094 -0.004 0.000 1.476 1165 V CA 0.957 63.258 62.300 0.001 0.000 1.097 1165 V CB -0.117 31.708 31.823 0.004 0.000 0.988 1165 V HN 1.430 nan 8.190 nan 0.000 0.473 1166 A N 1.151 123.970 122.820 -0.002 0.000 1.986 1166 A HA -0.139 4.187 4.320 0.010 0.000 0.220 1166 A C 2.043 179.610 177.584 -0.029 0.000 1.171 1166 A CA 2.824 54.855 52.037 -0.010 0.000 0.640 1166 A CB -0.638 18.359 19.000 -0.004 0.000 0.811 1166 A HN 0.582 nan 8.150 nan 0.000 0.451 1167 T N -1.093 113.444 114.554 -0.028 0.000 3.040 1167 T HA 0.227 4.583 4.350 0.010 0.000 0.266 1167 T C 1.052 175.731 174.700 -0.034 0.000 1.005 1167 T CA -0.169 61.907 62.100 -0.040 0.000 0.906 1167 T CB 0.092 68.937 68.868 -0.039 0.000 1.082 1167 T HN 0.162 nan 8.240 nan 0.000 0.531 1168 L N 1.386 122.594 121.223 -0.024 0.000 2.362 1168 L HA 0.263 4.609 4.340 0.010 0.000 0.219 1168 L C 1.944 178.799 176.870 -0.025 0.000 1.134 1168 L CA 0.831 55.658 54.840 -0.021 0.000 0.807 1168 L CB -1.137 40.914 42.059 -0.013 0.000 0.927 1168 L HN 0.448 nan 8.230 nan 0.000 0.447 1169 G N 0.209 108.991 108.800 -0.029 0.000 2.341 1169 G HA2 -0.306 3.661 3.960 0.010 0.000 0.292 1169 G HA3 -0.306 3.661 3.960 0.010 0.000 0.292 1169 G C 0.273 175.159 174.900 -0.024 0.000 1.021 1169 G CA 0.217 45.297 45.100 -0.033 0.000 0.905 1169 G HN 0.322 nan 8.290 nan 0.000 0.508 1170 L N 1.444 122.658 121.223 -0.015 0.000 2.319 1170 L HA 0.325 4.671 4.340 0.010 0.000 0.280 1170 L C -1.274 175.594 176.870 -0.004 0.000 1.099 1170 L CA -2.044 52.790 54.840 -0.009 0.000 0.828 1170 L CB 0.753 42.809 42.059 -0.004 0.000 1.150 1170 L HN 0.017 nan 8.230 nan 0.000 0.442 1171 P HA -0.039 nan 4.420 nan 0.000 0.268 1171 P C -0.031 177.275 177.300 0.011 0.000 1.204 1171 P CA -0.103 63.000 63.100 0.004 0.000 0.768 1171 P CB 1.316 33.018 31.700 0.003 0.000 0.842 1172 S N 1.238 116.949 115.700 0.019 0.000 2.583 1172 S HA 0.238 4.714 4.470 0.010 0.000 0.239 1172 S C 0.210 174.824 174.600 0.024 0.000 0.966 1172 S CA -0.249 57.963 58.200 0.019 0.000 0.973 1172 S CB -0.651 62.560 63.200 0.019 0.000 0.794 1172 S HN 0.595 nan 8.310 nan 0.000 0.463 1173 S N 1.864 117.579 115.700 0.025 0.000 2.548 1173 S HA 0.541 5.017 4.470 0.010 0.000 0.278 1173 S C -3.130 171.484 174.600 0.023 0.000 1.150 1173 S CA -1.086 57.131 58.200 0.027 0.000 0.907 1173 S CB 1.473 64.698 63.200 0.041 0.000 1.108 1173 S HN 0.198 nan 8.310 nan 0.000 0.459 1174 P HA 0.396 nan 4.420 nan 0.000 0.272 1174 P C 0.916 178.227 177.300 0.019 0.000 1.230 1174 P CA 1.011 64.120 63.100 0.016 0.000 0.788 1174 P CB 0.398 32.106 31.700 0.013 0.000 0.949 1175 G N -0.356 108.454 108.800 0.016 0.000 2.176 1175 G HA2 -0.190 3.776 3.960 0.010 0.000 0.253 1175 G HA3 -0.190 3.776 3.960 0.010 0.000 0.253 1175 G C -0.131 174.780 174.900 0.020 0.000 0.979 1175 G CA 0.105 45.216 45.100 0.018 0.000 0.641 1175 G HN 0.805 nan 8.290 nan 0.000 0.530 1176 V N 0.577 120.502 119.914 0.017 0.000 2.378 1176 V HA 0.778 4.904 4.120 0.010 0.000 0.288 1176 V C -2.220 173.875 176.094 0.002 0.000 1.016 1176 V CA -2.245 60.062 62.300 0.013 0.000 0.840 1176 V CB 1.744 33.579 31.823 0.020 0.000 0.994 1176 V HN 0.042 nan 8.190 nan 0.000 0.431 1177 P HA 0.216 nan 4.420 nan 0.000 0.267 1177 P C 0.415 177.705 177.300 -0.016 0.000 1.200 1177 P CA 0.031 63.125 63.100 -0.010 0.000 0.772 1177 P CB 0.524 32.216 31.700 -0.013 0.000 0.855 1178 K N 1.831 122.222 120.400 -0.015 0.000 2.209 1178 K HA -0.143 4.183 4.320 0.010 0.000 0.204 1178 K C 1.712 178.295 176.600 -0.028 0.000 1.048 1178 K CA 1.075 57.350 56.287 -0.020 0.000 0.940 1178 K CB -0.050 32.440 32.500 -0.016 0.000 0.729 1178 K HN 0.353 nan 8.250 nan 0.000 0.451 1179 K N 0.197 120.581 120.400 -0.027 0.000 2.034 1179 K HA -0.198 4.128 4.320 0.010 0.000 0.214 1179 K C 2.315 178.888 176.600 -0.044 0.000 1.051 1179 K CA 2.008 58.276 56.287 -0.033 0.000 0.931 1179 K CB -0.825 31.658 32.500 -0.028 0.000 0.715 1179 K HN 0.212 nan 8.250 nan 0.000 0.446 1180 T N 0.689 115.215 114.554 -0.046 0.000 2.867 1180 T HA -0.093 4.263 4.350 0.010 0.000 0.268 1180 T C 1.801 176.451 174.700 -0.082 0.000 1.057 1180 T CA 2.082 64.143 62.100 -0.065 0.000 1.136 1180 T CB -0.223 68.608 68.868 -0.061 0.000 0.874 1180 T HN 0.463 nan 8.240 nan 0.000 0.466 1181 T N -1.132 113.384 114.554 -0.065 0.000 3.100 1181 T HA 0.471 4.827 4.350 0.010 0.000 0.253 1181 T C 2.133 176.794 174.700 -0.066 0.000 1.118 1181 T CA 0.649 62.708 62.100 -0.069 0.000 1.058 1181 T CB -0.365 68.477 68.868 -0.042 0.000 0.953 1181 T HN 0.355 nan 8.240 nan 0.000 0.515 1182 A N 2.514 125.299 122.820 -0.060 0.000 2.131 1182 A HA -0.044 4.283 4.320 0.010 0.000 0.220 1182 A C 1.960 179.503 177.584 -0.069 0.000 1.158 1182 A CA 0.972 52.976 52.037 -0.056 0.000 0.665 1182 A CB -0.441 18.531 19.000 -0.047 0.000 0.795 1182 A HN 0.521 nan 8.150 nan 0.000 0.460 1183 N N -0.293 118.356 118.700 -0.085 0.000 2.238 1183 N HA 0.063 4.809 4.740 0.010 0.000 0.222 1183 N C -0.776 174.663 175.510 -0.118 0.000 1.133 1183 N CA 0.237 53.228 53.050 -0.099 0.000 0.854 1183 N CB 0.721 39.148 38.487 -0.100 0.000 1.041 1183 N HN 0.187 nan 8.380 nan 0.000 0.510 1184 T N 1.720 116.207 114.554 -0.111 0.000 2.772 1184 T HA 0.455 4.811 4.350 0.010 0.000 0.288 1184 T C -0.177 174.468 174.700 -0.092 0.000 0.994 1184 T CA -0.415 61.617 62.100 -0.112 0.000 0.951 1184 T CB 1.294 70.097 68.868 -0.109 0.000 0.933 1184 T HN -0.124 nan 8.240 nan 0.000 0.447 1185 L N 3.769 124.924 121.223 -0.114 0.000 2.325 1185 L HA 0.682 5.028 4.340 0.010 0.000 0.278 1185 L C 0.926 177.723 176.870 -0.121 0.000 1.023 1185 L CA -0.528 54.241 54.840 -0.118 0.000 0.811 1185 L CB 1.485 43.448 42.059 -0.160 0.000 1.249 1185 L HN 0.723 nan 8.230 nan 0.000 0.431 1186 T N -1.864 112.635 114.554 -0.092 0.000 2.932 1186 T HA 0.853 5.209 4.350 0.010 0.000 0.289 1186 T C -0.277 174.374 174.700 -0.082 0.000 1.039 1186 T CA -0.694 61.353 62.100 -0.087 0.000 1.024 1186 T CB 2.061 70.919 68.868 -0.017 0.000 1.090 1186 T HN 0.665 nan 8.240 nan 0.000 0.496 1187 T N 0.757 115.263 114.554 -0.080 0.000 2.868 1187 T HA 0.628 4.984 4.350 0.010 0.000 0.306 1187 T C -3.181 171.674 174.700 0.259 0.000 1.224 1187 T CA -1.658 60.464 62.100 0.037 0.000 1.012 1187 T CB 1.536 70.390 68.868 -0.024 0.000 1.221 1187 T HN 0.474 nan 8.240 nan 0.000 0.499 1188 P HA 0.215 nan 4.420 nan 0.000 0.271 1188 P C -1.112 176.425 177.300 0.396 0.000 1.216 1188 P CA -0.227 63.043 63.100 0.284 0.000 0.771 1188 P CB 0.001 31.791 31.700 0.150 0.000 0.864 1189 Y N 3.400 123.807 120.300 0.179 0.000 2.550 1189 Y HA -0.073 4.483 4.550 0.010 0.000 0.343 1189 Y C 1.335 176.937 175.900 -0.496 0.000 1.245 1189 Y CA 1.034 59.029 58.100 -0.175 0.000 1.462 1189 Y CB -0.252 38.103 38.460 -0.174 0.000 1.340 1189 Y HN 0.586 nan 8.280 nan 0.000 0.604 1190 N N 1.667 119.222 118.700 -1.908 0.000 2.714 1190 N HA -0.267 4.479 4.740 0.010 0.000 0.250 1190 N C -1.548 173.527 175.510 -0.725 0.000 1.117 1190 N CA 0.887 52.889 53.050 -1.747 0.000 0.719 1190 N CB -0.657 37.417 38.487 -0.689 0.000 1.081 1190 N HN 0.500 nan 8.380 nan 0.000 0.557 1191 D N 0.663 120.859 120.400 -0.340 0.000 2.404 1191 D HA 0.218 4.864 4.640 0.010 0.000 0.267 1191 D C 1.000 177.452 176.300 0.252 0.000 1.194 1191 D CA -0.389 53.628 54.000 0.028 0.000 0.910 1191 D CB 0.420 41.271 40.800 0.085 0.000 1.090 1191 D HN 0.145 nan 8.370 nan 0.000 0.511 1192 L N 1.538 122.918 121.223 0.262 0.000 2.046 1192 L HA -0.142 4.205 4.340 0.010 0.000 0.208 1192 L C 2.075 179.058 176.870 0.188 0.000 1.077 1192 L CA 0.901 55.904 54.840 0.272 0.000 0.747 1192 L CB -0.016 42.164 42.059 0.202 0.000 0.896 1192 L HN 0.288 nan 8.230 nan 0.000 0.432 1193 E N 0.207 120.486 120.200 0.131 0.000 2.153 1193 E HA -0.193 4.163 4.350 0.010 0.000 0.194 1193 E C 2.234 178.901 176.600 0.112 0.000 0.988 1193 E CA 1.282 57.743 56.400 0.101 0.000 0.811 1193 E CB -0.223 29.517 29.700 0.067 0.000 0.746 1193 E HN 0.476 nan 8.360 nan 0.000 0.466 1194 A N 0.856 123.755 122.820 0.132 0.000 1.930 1194 A HA -0.115 4.211 4.320 0.010 0.000 0.217 1194 A C 2.572 180.236 177.584 0.134 0.000 1.175 1194 A CA 1.316 53.426 52.037 0.122 0.000 0.627 1194 A CB -0.438 18.647 19.000 0.142 0.000 0.815 1194 A HN 0.147 nan 8.150 nan 0.000 0.443 1195 V N 0.000 120.036 119.914 0.202 0.000 2.407 1195 V HA -0.209 3.917 4.120 0.010 0.000 0.245 1195 V C 2.336 178.603 176.094 0.289 0.000 1.041 1195 V CA 2.093 64.530 62.300 0.228 0.000 1.040 1195 V CB -0.662 31.358 31.823 0.329 0.000 0.671 1195 V HN 0.518 nan 8.190 nan 0.000 0.455 1196 K N 0.666 121.196 120.400 0.218 0.000 2.103 1196 K HA -0.167 4.159 4.320 0.010 0.000 0.207 1196 K C 2.317 179.018 176.600 0.168 0.000 1.048 1196 K CA 1.532 57.926 56.287 0.177 0.000 0.930 1196 K CB -0.447 32.119 32.500 0.110 0.000 0.716 1196 K HN 0.476 nan 8.250 nan 0.000 0.444 1197 A N 1.594 124.486 122.820 0.121 0.000 1.877 1197 A HA -0.158 4.168 4.320 0.010 0.000 0.216 1197 A C 2.146 179.762 177.584 0.053 0.000 1.186 1197 A CA 1.328 53.411 52.037 0.077 0.000 0.620 1197 A CB -0.726 18.307 19.000 0.056 0.000 0.822 1197 A HN 0.167 nan 8.150 nan 0.000 0.443 1198 L N -2.093 119.146 121.223 0.027 0.000 2.079 1198 L HA -0.208 4.138 4.340 0.010 0.000 0.210 1198 L C 2.539 179.327 176.870 -0.137 0.000 1.081 1198 L CA 1.412 56.203 54.840 -0.083 0.000 0.752 1198 L CB -0.603 41.355 42.059 -0.168 0.000 0.896 1198 L HN 0.397 nan 8.230 nan 0.000 0.433 1199 F N -0.032 119.832 119.950 -0.144 0.000 2.051 1199 F HA -0.218 4.315 4.527 0.010 0.000 0.296 1199 F C 2.679 178.401 175.800 -0.130 0.000 1.122 1199 F CA 1.436 59.291 58.000 -0.240 0.000 1.201 1199 F CB -0.799 37.859 39.000 -0.570 0.000 0.978 1199 F HN -0.009 nan 8.300 nan 0.000 0.472 1200 A N -0.001 122.904 122.820 0.142 0.000 1.917 1200 A HA -0.263 4.063 4.320 0.010 0.000 0.219 1200 A C 1.954 179.571 177.584 0.056 0.000 1.182 1200 A CA 2.146 54.248 52.037 0.108 0.000 0.633 1200 A CB -0.925 18.133 19.000 0.097 0.000 0.819 1200 A HN 0.530 nan 8.150 nan 0.000 0.448 1201 E N -0.294 119.920 120.200 0.024 0.000 2.418 1201 E HA -0.028 4.328 4.350 0.010 0.000 0.197 1201 E C -0.250 176.338 176.600 -0.020 0.000 1.026 1201 E CA 0.484 56.883 56.400 -0.002 0.000 0.862 1201 E CB 0.001 29.691 29.700 -0.016 0.000 0.799 1201 E HN 0.561 nan 8.360 nan 0.000 0.518 1202 N N 1.323 120.004 118.700 -0.031 0.000 2.687 1202 N HA 0.125 4.872 4.740 0.010 0.000 0.275 1202 N C -2.792 172.710 175.510 -0.014 0.000 1.789 1202 N CA -0.864 52.157 53.050 -0.048 0.000 0.806 1202 N CB 1.305 39.725 38.487 -0.112 0.000 1.256 1202 N HN 0.043 nan 8.380 nan 0.000 0.500 1203 P HA 0.018 nan 4.420 nan 0.000 0.265 1203 P C 0.983 178.320 177.300 0.061 0.000 1.193 1203 P CA 0.982 64.132 63.100 0.083 0.000 0.765 1203 P CB 0.701 32.450 31.700 0.081 0.000 0.823 1204 G N 2.955 111.811 108.800 0.093 0.000 2.166 1204 G HA2 -0.281 3.685 3.960 0.010 0.000 0.260 1204 G HA3 -0.281 3.685 3.960 0.010 0.000 0.260 1204 G C 0.622 175.536 174.900 0.023 0.000 0.986 1204 G CA 0.402 45.539 45.100 0.062 0.000 0.683 1204 G HN 0.636 nan 8.290 nan 0.000 0.527 1205 E N -1.033 119.165 120.200 -0.004 0.000 2.514 1205 E HA 0.191 4.547 4.350 0.010 0.000 0.215 1205 E C 0.509 177.057 176.600 -0.087 0.000 0.946 1205 E CA -0.471 55.902 56.400 -0.044 0.000 1.038 1205 E CB 0.629 30.294 29.700 -0.059 0.000 1.069 1205 E HN 0.412 nan 8.360 nan 0.000 0.503 1206 I N 1.999 122.494 120.570 -0.125 0.000 2.347 1206 I HA 0.088 4.264 4.170 0.010 0.000 0.294 1206 I C 1.315 177.384 176.117 -0.080 0.000 1.090 1206 I CA 0.105 61.265 61.300 -0.234 0.000 1.314 1206 I CB 0.467 38.074 38.000 -0.655 0.000 1.423 1206 I HN -0.015 nan 8.210 nan 0.000 0.503 1207 A N 5.385 128.165 122.820 -0.067 0.000 1.969 1207 A HA 0.357 4.683 4.320 0.010 0.000 0.218 1207 A C 1.149 178.758 177.584 0.042 0.000 1.169 1207 A CA 1.267 53.307 52.037 0.004 0.000 0.635 1207 A CB -0.165 18.827 19.000 -0.013 0.000 0.810 1207 A HN 0.880 nan 8.150 nan 0.000 0.445 1208 G N -3.268 105.529 108.800 -0.006 0.000 2.313 1208 G HA2 0.429 4.395 3.960 0.010 0.000 0.296 1208 G HA3 0.429 4.395 3.960 0.010 0.000 0.296 1208 G C -1.619 173.288 174.900 0.013 0.000 1.356 1208 G CA -0.076 45.058 45.100 0.057 0.000 0.833 1208 G HN 0.552 nan 8.290 nan 0.000 0.552 1209 V N 0.780 120.748 119.914 0.090 0.000 2.495 1209 V HA 0.720 4.846 4.120 0.010 0.000 0.298 1209 V C -0.012 176.163 176.094 0.134 0.000 1.031 1209 V CA -0.683 61.675 62.300 0.096 0.000 0.871 1209 V CB 1.448 33.396 31.823 0.208 0.000 0.988 1209 V HN 0.809 nan 8.190 nan 0.000 0.432 1210 I N 6.546 127.186 120.570 0.117 0.000 2.569 1210 I HA 0.840 5.016 4.170 0.010 0.000 0.296 1210 I C -1.168 175.113 176.117 0.273 0.000 1.028 1210 I CA -0.748 60.611 61.300 0.099 0.000 1.082 1210 I CB 1.729 39.655 38.000 -0.123 0.000 1.264 1210 I HN 0.782 nan 8.210 nan 0.000 0.429 1211 L N 3.010 124.431 121.223 0.330 0.000 2.869 1211 L HA 0.534 4.880 4.340 0.010 0.000 0.265 1211 L C -1.685 175.399 176.870 0.356 0.000 1.011 1211 L CA -0.975 54.178 54.840 0.523 0.000 0.913 1211 L CB 1.832 44.245 42.059 0.590 0.000 1.490 1211 L HN 0.504 nan 8.230 nan 0.000 0.410 1212 E N 2.817 123.217 120.200 0.332 0.000 2.129 1212 E HA 0.207 4.563 4.350 0.010 0.000 0.283 1212 E C -1.778 174.845 176.600 0.039 0.000 1.080 1212 E CA -1.681 54.802 56.400 0.139 0.000 0.867 1212 E CB 1.133 30.870 29.700 0.063 0.000 1.056 1212 E HN 0.475 nan 8.360 nan 0.000 0.404 1213 P HA -0.152 nan 4.420 nan 0.000 0.220 1213 P C 0.152 177.409 177.300 -0.072 0.000 1.144 1213 P CA 1.345 64.188 63.100 -0.428 0.000 0.800 1213 P CB 0.555 31.735 31.700 -0.868 0.000 0.772 1214 I N -0.720 119.816 120.570 -0.056 0.000 2.548 1214 I HA 0.147 4.323 4.170 0.010 0.000 0.287 1214 I C -0.340 175.695 176.117 -0.137 0.000 1.103 1214 I CA -1.193 60.061 61.300 -0.076 0.000 1.049 1214 I CB 3.189 41.155 38.000 -0.056 0.000 1.232 1214 I HN -0.406 nan 8.210 nan 0.000 0.429 1215 V N 5.093 124.816 119.914 -0.318 0.000 2.686 1215 V HA 0.358 4.484 4.120 0.010 0.000 0.295 1215 V C 1.050 177.083 176.094 -0.102 0.000 1.055 1215 V CA 0.382 62.509 62.300 -0.288 0.000 1.050 1215 V CB 1.235 32.744 31.823 -0.524 0.000 0.984 1215 V HN 1.043 nan 8.190 nan 0.000 0.482 1216 G N 1.868 110.675 108.800 0.012 0.000 2.989 1216 G HA2 0.016 3.983 3.960 0.010 0.000 0.221 1216 G HA3 0.016 3.983 3.960 0.010 0.000 0.221 1216 G C 0.634 175.586 174.900 0.088 0.000 1.050 1216 G CA -0.175 44.989 45.100 0.107 0.000 0.913 1216 G HN 0.582 nan 8.290 nan 0.000 0.587 1217 N N 1.216 119.945 118.700 0.047 0.000 2.270 1217 N HA 0.037 4.783 4.740 0.010 0.000 0.198 1217 N C 0.930 176.466 175.510 0.044 0.000 1.117 1217 N CA 0.776 53.842 53.050 0.026 0.000 0.845 1217 N CB 0.748 39.235 38.487 -0.001 0.000 0.980 1217 N HN 0.369 nan 8.380 nan 0.000 0.486 1218 S N -1.204 114.573 115.700 0.128 0.000 2.941 1218 S HA 0.496 4.972 4.470 0.010 0.000 0.248 1218 S C 0.539 175.440 174.600 0.502 0.000 0.962 1218 S CA -0.069 58.322 58.200 0.318 0.000 1.092 1218 S CB 0.688 64.035 63.200 0.245 0.000 1.113 1218 S HN 0.332 nan 8.310 nan 0.000 0.512 1219 G N 1.522 110.510 108.800 0.312 0.000 2.728 1219 G HA2 -0.049 3.917 3.960 0.010 0.000 0.294 1219 G HA3 -0.049 3.917 3.960 0.010 0.000 0.294 1219 G C -0.799 174.229 174.900 0.213 0.000 1.342 1219 G CA -0.612 44.567 45.100 0.133 0.000 0.866 1219 G HN 0.850 nan 8.290 nan 0.000 0.534 1220 F N 0.927 120.847 119.950 -0.052 0.000 2.444 1220 F HA 0.729 5.262 4.527 0.010 0.000 0.360 1220 F C 0.627 176.525 175.800 0.164 0.000 1.106 1220 F CA -0.953 57.047 58.000 0.000 0.000 1.170 1220 F CB 0.257 39.201 39.000 -0.093 0.000 1.113 1220 F HN 0.430 nan 8.300 nan 0.000 0.521 1221 I N 7.371 127.674 120.570 -0.444 0.000 2.468 1221 I HA 0.267 4.443 4.170 0.010 0.000 0.285 1221 I C -1.016 174.767 176.117 -0.555 0.000 1.039 1221 I CA -0.998 60.050 61.300 -0.421 0.000 1.074 1221 I CB 1.784 39.596 38.000 -0.314 0.000 1.228 1221 I HN 0.160 nan 8.210 nan 0.000 0.436 1222 V N 7.467 127.110 119.914 -0.452 0.000 2.644 1222 V HA 0.342 4.468 4.120 0.010 0.000 0.295 1222 V C -1.925 174.170 176.094 0.002 0.000 1.053 1222 V CA -1.583 60.582 62.300 -0.225 0.000 0.987 1222 V CB 1.353 33.091 31.823 -0.142 0.000 1.006 1222 V HN 0.574 nan 8.190 nan 0.000 0.472 1223 P HA 0.149 nan 4.420 nan 0.000 0.271 1223 P C -0.789 176.527 177.300 0.028 0.000 1.216 1223 P CA -0.350 62.863 63.100 0.188 0.000 0.771 1223 P CB 0.682 32.588 31.700 0.343 0.000 0.864 1224 D N 1.283 121.660 120.400 -0.039 0.000 2.382 1224 D HA 0.164 4.810 4.640 0.010 0.000 0.240 1224 D C 0.680 176.982 176.300 0.003 0.000 1.146 1224 D CA 0.256 54.245 54.000 -0.019 0.000 0.897 1224 D CB 0.462 41.265 40.800 0.004 0.000 1.197 1224 D HN 0.380 nan 8.370 nan 0.000 0.432 1225 A N 0.801 123.602 122.820 -0.031 0.000 2.584 1225 A HA 0.388 4.714 4.320 0.010 0.000 0.239 1225 A C 1.503 179.091 177.584 0.006 0.000 1.043 1225 A CA 0.756 52.764 52.037 -0.048 0.000 0.756 1225 A CB -0.390 18.580 19.000 -0.050 0.000 0.963 1225 A HN 0.869 nan 8.150 nan 0.000 0.511 1226 G N 1.249 110.053 108.800 0.006 0.000 2.199 1226 G HA2 -0.330 3.637 3.960 0.010 0.000 0.254 1226 G HA3 -0.330 3.637 3.960 0.010 0.000 0.254 1226 G C 0.795 175.746 174.900 0.085 0.000 0.982 1226 G CA 0.964 46.084 45.100 0.034 0.000 0.632 1226 G HN 1.338 nan 8.290 nan 0.000 0.529 1227 F N 1.423 121.329 119.950 -0.073 0.000 2.051 1227 F HA 0.181 4.714 4.527 0.010 0.000 0.296 1227 F C 2.568 178.333 175.800 -0.058 0.000 1.122 1227 F CA 2.127 60.066 58.000 -0.102 0.000 1.201 1227 F CB -0.577 38.303 39.000 -0.200 0.000 0.978 1227 F HN 0.178 nan 8.300 nan 0.000 0.472 1228 L N -0.204 120.923 121.223 -0.160 0.000 2.131 1228 L HA -0.189 4.157 4.340 0.010 0.000 0.210 1228 L C 2.263 179.111 176.870 -0.036 0.000 1.092 1228 L CA 1.439 56.194 54.840 -0.142 0.000 0.759 1228 L CB -0.801 41.311 42.059 0.089 0.000 0.903 1228 L HN 0.124 nan 8.230 nan 0.000 0.435 1229 E N 0.454 120.648 120.200 -0.011 0.000 2.072 1229 E HA -0.128 4.228 4.350 0.010 0.000 0.191 1229 E C 2.243 178.827 176.600 -0.027 0.000 0.985 1229 E CA 1.219 57.619 56.400 0.000 0.000 0.801 1229 E CB -0.561 29.143 29.700 0.007 0.000 0.750 1229 E HN 0.424 nan 8.360 nan 0.000 0.452 1230 G N 0.741 109.517 108.800 -0.041 0.000 2.421 1230 G HA2 -0.238 3.728 3.960 0.010 0.000 0.216 1230 G HA3 -0.238 3.728 3.960 0.010 0.000 0.216 1230 G C 1.522 176.386 174.900 -0.060 0.000 1.171 1230 G CA 0.681 45.761 45.100 -0.032 0.000 0.775 1230 G HN 0.157 nan 8.290 nan 0.000 0.543 1231 L N -0.070 121.069 121.223 -0.140 0.000 2.131 1231 L HA -0.055 4.291 4.340 0.010 0.000 0.210 1231 L C 2.923 179.776 176.870 -0.028 0.000 1.092 1231 L CA 1.080 55.868 54.840 -0.087 0.000 0.759 1231 L CB -0.335 41.616 42.059 -0.180 0.000 0.903 1231 L HN 0.157 nan 8.230 nan 0.000 0.435 1232 R N 0.950 121.430 120.500 -0.033 0.000 2.075 1232 R HA -0.151 4.195 4.340 0.010 0.000 0.232 1232 R C 1.958 178.233 176.300 -0.040 0.000 1.126 1232 R CA 1.614 57.694 56.100 -0.032 0.000 0.963 1232 R CB -0.420 29.863 30.300 -0.028 0.000 0.858 1232 R HN 0.405 nan 8.270 nan 0.000 0.435 1233 E N 0.608 120.783 120.200 -0.042 0.000 2.031 1233 E HA -0.161 4.195 4.350 0.010 0.000 0.193 1233 E C 2.026 178.581 176.600 -0.076 0.000 0.994 1233 E CA 1.788 58.157 56.400 -0.052 0.000 0.800 1233 E CB -0.489 29.186 29.700 -0.042 0.000 0.752 1233 E HN 0.572 nan 8.360 nan 0.000 0.447 1234 I N 0.502 121.018 120.570 -0.089 0.000 2.264 1234 I HA -0.230 3.946 4.170 0.010 0.000 0.248 1234 I C 2.504 178.486 176.117 -0.223 0.000 1.111 1234 I CA 1.864 63.063 61.300 -0.168 0.000 1.382 1234 I CB -1.048 36.816 38.000 -0.228 0.000 1.060 1234 I HN 0.060 nan 8.210 nan 0.000 0.418 1235 T N 0.337 114.820 114.554 -0.118 0.000 2.812 1235 T HA 0.017 4.373 4.350 0.010 0.000 0.264 1235 T C 2.011 176.719 174.700 0.014 0.000 1.042 1235 T CA 1.087 63.184 62.100 -0.006 0.000 1.140 1235 T CB -0.808 68.112 68.868 0.087 0.000 0.870 1235 T HN 0.415 nan 8.240 nan 0.000 0.445 1236 L N 0.846 122.055 121.223 -0.024 0.000 2.083 1236 L HA -0.055 4.291 4.340 0.010 0.000 0.209 1236 L C 2.957 179.790 176.870 -0.062 0.000 1.083 1236 L CA 1.618 56.441 54.840 -0.028 0.000 0.752 1236 L CB -0.621 41.414 42.059 -0.040 0.000 0.899 1236 L HN 0.358 nan 8.230 nan 0.000 0.433 1237 E N -0.714 119.408 120.200 -0.129 0.000 2.204 1237 E HA -0.199 4.157 4.350 0.010 0.000 0.195 1237 E C 1.007 177.367 176.600 -0.399 0.000 0.990 1237 E CA 1.053 57.288 56.400 -0.276 0.000 0.821 1237 E CB 0.001 29.468 29.700 -0.388 0.000 0.750 1237 E HN 0.640 nan 8.360 nan 0.000 0.477 1238 H N -0.310 118.686 119.070 -0.123 0.000 2.528 1238 H HA 0.126 4.688 4.556 0.010 0.000 0.282 1238 H C -0.575 174.785 175.328 0.053 0.000 1.097 1238 H CA -0.248 55.784 56.048 -0.026 0.000 1.121 1238 H CB 0.456 30.220 29.762 0.003 0.000 1.590 1238 H HN -0.013 nan 8.280 nan 0.000 0.553 1239 D N 0.191 120.653 120.400 0.104 0.000 2.751 1239 D HA -0.173 4.474 4.640 0.010 0.000 0.233 1239 D C 0.118 176.517 176.300 0.166 0.000 1.149 1239 D CA 0.999 55.064 54.000 0.109 0.000 0.682 1239 D CB -1.059 39.788 40.800 0.079 0.000 1.068 1239 D HN 0.567 nan 8.370 nan 0.000 0.429 1240 A N -0.280 122.663 122.820 0.206 0.000 2.281 1240 A HA 0.661 4.987 4.320 0.010 0.000 0.329 1240 A C -0.072 177.613 177.584 0.170 0.000 1.122 1240 A CA -0.555 51.625 52.037 0.238 0.000 0.850 1240 A CB 1.157 20.411 19.000 0.424 0.000 1.207 1240 A HN 0.081 nan 8.150 nan 0.000 0.495 1241 L N 0.659 121.966 121.223 0.141 0.000 2.334 1241 L HA 0.483 4.829 4.340 0.010 0.000 0.277 1241 L C -0.358 176.546 176.870 0.058 0.000 1.075 1241 L CA -0.345 54.536 54.840 0.068 0.000 0.804 1241 L CB 1.221 43.301 42.059 0.036 0.000 1.174 1241 L HN 0.637 nan 8.230 nan 0.000 0.438 1242 L N 4.382 125.602 121.223 -0.004 0.000 2.296 1242 L HA 0.644 4.991 4.340 0.010 0.000 0.286 1242 L C -0.869 175.959 176.870 -0.071 0.000 1.023 1242 L CA -0.166 54.666 54.840 -0.013 0.000 0.812 1242 L CB 1.501 43.506 42.059 -0.090 0.000 1.223 1242 L HN 0.281 nan 8.230 nan 0.000 0.421 1243 V N 5.957 125.895 119.914 0.040 0.000 2.483 1243 V HA 0.441 4.567 4.120 0.010 0.000 0.297 1243 V C -0.687 175.571 176.094 0.274 0.000 1.027 1243 V CA -0.520 61.812 62.300 0.055 0.000 0.855 1243 V CB 1.385 33.229 31.823 0.035 0.000 0.995 1243 V HN 0.456 nan 8.190 nan 0.000 0.424 1244 F N 2.792 122.753 119.950 0.019 0.000 2.405 1244 F HA 0.381 4.914 4.527 0.010 0.000 0.355 1244 F C 0.569 176.391 175.800 0.038 0.000 1.121 1244 F CA -1.503 56.520 58.000 0.040 0.000 1.112 1244 F CB 1.239 40.252 39.000 0.022 0.000 1.126 1244 F HN 0.503 nan 8.300 nan 0.000 0.481 1245 D N 3.871 124.410 120.400 0.232 0.000 2.422 1245 D HA 0.058 4.704 4.640 0.010 0.000 0.227 1245 D C 0.097 176.485 176.300 0.147 0.000 1.190 1245 D CA 0.157 54.254 54.000 0.163 0.000 0.905 1245 D CB 0.308 41.236 40.800 0.213 0.000 1.034 1245 D HN 0.556 nan 8.370 nan 0.000 0.507 1246 E N 3.041 123.322 120.200 0.135 0.000 2.511 1246 E HA 0.062 4.418 4.350 0.010 0.000 0.214 1246 E C 1.414 178.084 176.600 0.116 0.000 1.062 1246 E CA -0.201 56.261 56.400 0.104 0.000 1.213 1246 E CB 1.058 30.803 29.700 0.075 0.000 1.214 1246 E HN 0.319 nan 8.360 nan 0.000 0.441 1247 V N 0.685 120.672 119.914 0.122 0.000 2.343 1247 V HA -0.255 3.871 4.120 0.010 0.000 0.247 1247 V C 2.171 178.341 176.094 0.128 0.000 1.051 1247 V CA 1.775 64.148 62.300 0.122 0.000 1.036 1247 V CB -0.206 31.677 31.823 0.100 0.000 0.654 1247 V HN 0.408 nan 8.190 nan 0.000 0.451 1248 M N -0.173 119.512 119.600 0.141 0.000 2.429 1248 M HA -0.078 4.408 4.480 0.010 0.000 0.265 1248 M C 2.272 178.684 176.300 0.188 0.000 1.120 1248 M CA 1.751 57.153 55.300 0.170 0.000 1.173 1248 M CB 0.043 32.798 32.600 0.258 0.000 1.343 1248 M HN 0.546 nan 8.290 nan 0.000 0.464 1249 T N -1.782 112.869 114.554 0.161 0.000 2.985 1249 T HA 0.130 4.486 4.350 0.010 0.000 0.266 1249 T C 1.182 175.932 174.700 0.082 0.000 1.076 1249 T CA 0.405 62.584 62.100 0.131 0.000 1.135 1249 T CB -1.179 67.725 68.868 0.060 0.000 0.890 1249 T HN 0.417 nan 8.240 nan 0.000 0.480 1250 G N 0.599 109.445 108.800 0.076 0.000 2.225 1250 G HA2 0.299 4.265 3.960 0.010 0.000 0.245 1250 G HA3 0.299 4.265 3.960 0.010 0.000 0.245 1250 G C -0.001 174.992 174.900 0.155 0.000 1.249 1250 G CA -0.414 44.693 45.100 0.012 0.000 0.919 1250 G HN 0.401 nan 8.290 nan 0.000 0.486 1251 F N -0.727 119.226 119.950 0.006 0.000 2.890 1251 F HA -0.289 4.244 4.527 0.010 0.000 0.346 1251 F C 2.008 177.972 175.800 0.273 0.000 0.660 1251 F CA 1.692 59.735 58.000 0.072 0.000 1.091 1251 F CB -0.949 38.064 39.000 0.022 0.000 1.535 1251 F HN 0.600 nan 8.300 nan 0.000 0.314 1252 R N 0.325 121.019 120.500 0.323 0.000 2.119 1252 R HA 0.172 4.518 4.340 0.010 0.000 0.202 1252 R C 2.051 178.557 176.300 0.344 0.000 1.114 1252 R CA 0.592 56.904 56.100 0.352 0.000 1.089 1252 R CB 0.057 30.514 30.300 0.261 0.000 1.000 1252 R HN 0.218 nan 8.270 nan 0.000 0.487 1253 I N 1.421 122.097 120.570 0.176 0.000 2.286 1253 I HA 0.022 4.198 4.170 0.010 0.000 0.248 1253 I C 0.915 177.033 176.117 0.001 0.000 1.115 1253 I CA 1.136 62.490 61.300 0.089 0.000 1.392 1253 I CB -0.711 37.261 38.000 -0.046 0.000 1.065 1253 I HN 0.315 nan 8.210 nan 0.000 0.418 1254 A N -2.049 120.679 122.820 -0.154 0.000 2.586 1254 A HA 0.310 4.636 4.320 0.010 0.000 0.291 1254 A C 0.067 177.293 177.584 -0.597 0.000 1.062 1254 A CA -0.572 51.139 52.037 -0.543 0.000 0.666 1254 A CB -0.061 18.739 19.000 -0.334 0.000 1.281 1254 A HN 0.071 nan 8.150 nan 0.000 0.421 1255 Y N 0.943 120.679 120.300 -0.941 0.000 2.207 1255 Y HA 0.009 4.565 4.550 0.010 0.000 0.287 1255 Y C 1.963 177.631 175.900 -0.388 0.000 1.156 1255 Y CA 2.961 60.861 58.100 -0.333 0.000 1.182 1255 Y CB 0.078 38.468 38.460 -0.116 0.000 0.979 1255 Y HN 0.715 nan 8.280 nan 0.000 0.521 1256 G N -0.648 107.964 108.800 -0.314 0.000 3.371 1256 G HA2 0.407 4.374 3.960 0.010 0.000 0.248 1256 G HA3 0.407 4.374 3.960 0.010 0.000 0.248 1256 G C 0.635 175.324 174.900 -0.352 0.000 1.161 1256 G CA 0.262 45.155 45.100 -0.345 0.000 0.796 1256 G HN 0.790 nan 8.290 nan 0.000 0.539 1257 G N -0.715 107.848 108.800 -0.395 0.000 2.752 1257 G HA2 -0.223 3.744 3.960 0.010 0.000 0.234 1257 G HA3 -0.223 3.744 3.960 0.010 0.000 0.234 1257 G C 0.988 175.756 174.900 -0.221 0.000 1.367 1257 G CA -0.250 44.686 45.100 -0.273 0.000 0.879 1257 G HN 0.583 nan 8.290 nan 0.000 0.563 1258 V N 1.361 121.150 119.914 -0.207 0.000 2.407 1258 V HA -0.250 3.876 4.120 0.010 0.000 0.248 1258 V C 3.067 179.065 176.094 -0.160 0.000 1.055 1258 V CA 3.185 65.275 62.300 -0.351 0.000 1.049 1258 V CB -0.881 30.720 31.823 -0.370 0.000 0.662 1258 V HN 0.875 nan 8.190 nan 0.000 0.455 1259 Q N 0.900 120.744 119.800 0.073 0.000 2.152 1259 Q HA -0.318 4.028 4.340 0.010 0.000 0.206 1259 Q C 2.130 178.176 176.000 0.076 0.000 0.985 1259 Q CA 2.323 58.253 55.803 0.212 0.000 0.863 1259 Q CB -0.516 28.348 28.738 0.210 0.000 0.904 1259 Q HN 0.809 nan 8.270 nan 0.000 0.422 1260 E N 1.517 121.705 120.200 -0.019 0.000 2.046 1260 E HA -0.185 4.171 4.350 0.010 0.000 0.190 1260 E C 2.142 178.742 176.600 -0.001 0.000 0.982 1260 E CA 0.928 57.313 56.400 -0.024 0.000 0.800 1260 E CB 0.002 29.659 29.700 -0.073 0.000 0.756 1260 E HN 0.330 nan 8.360 nan 0.000 0.449 1261 K N -0.322 120.036 120.400 -0.070 0.000 2.057 1261 K HA -0.108 4.218 4.320 0.010 0.000 0.207 1261 K C 1.611 178.357 176.600 0.243 0.000 1.049 1261 K CA 1.518 57.791 56.287 -0.024 0.000 0.931 1261 K CB -0.136 32.230 32.500 -0.224 0.000 0.714 1261 K HN 0.251 nan 8.250 nan 0.000 0.440 1262 F N -0.410 119.564 119.950 0.040 0.000 2.727 1262 F HA 0.166 4.700 4.527 0.010 0.000 0.302 1262 F C 1.172 177.004 175.800 0.053 0.000 1.097 1262 F CA -0.115 57.914 58.000 0.048 0.000 1.330 1262 F CB 0.787 39.818 39.000 0.051 0.000 1.084 1262 F HN 0.287 nan 8.300 nan 0.000 0.578 1263 G N 1.699 110.632 108.800 0.222 0.000 2.198 1263 G HA2 -0.283 3.683 3.960 0.010 0.000 0.260 1263 G HA3 -0.283 3.683 3.960 0.010 0.000 0.260 1263 G C -0.345 174.630 174.900 0.124 0.000 1.025 1263 G CA 0.069 45.250 45.100 0.135 0.000 0.769 1263 G HN 0.168 nan 8.290 nan 0.000 0.507 1264 V N 0.839 120.860 119.914 0.178 0.000 2.378 1264 V HA 0.567 4.693 4.120 0.010 0.000 0.288 1264 V C 0.375 176.510 176.094 0.068 0.000 1.016 1264 V CA -0.281 62.110 62.300 0.151 0.000 0.840 1264 V CB 1.856 33.841 31.823 0.271 0.000 0.994 1264 V HN 0.301 nan 8.190 nan 0.000 0.431 1265 T N 8.191 122.709 114.554 -0.059 0.000 2.733 1265 T HA 0.400 4.756 4.350 0.010 0.000 0.294 1265 T C -2.206 172.301 174.700 -0.322 0.000 0.956 1265 T CA -0.912 61.090 62.100 -0.165 0.000 0.987 1265 T CB 1.550 70.357 68.868 -0.101 0.000 0.920 1265 T HN 0.509 nan 8.240 nan 0.000 0.470 1266 P HA 0.360 nan 4.420 nan 0.000 0.293 1266 P C -0.078 177.029 177.300 -0.322 0.000 1.304 1266 P CA -0.395 62.333 63.100 -0.620 0.000 0.767 1266 P CB 1.298 32.359 31.700 -1.064 0.000 1.247 1267 D N -1.305 118.947 120.400 -0.247 0.000 2.338 1267 D HA 0.155 4.802 4.640 0.010 0.000 0.208 1267 D C 0.213 176.415 176.300 -0.164 0.000 0.997 1267 D CA 0.991 54.880 54.000 -0.184 0.000 0.880 1267 D CB 0.265 40.966 40.800 -0.164 0.000 0.980 1267 D HN 0.073 nan 8.370 nan 0.000 0.509 1268 L N 0.045 121.182 121.223 -0.144 0.000 2.466 1268 L HA 0.368 4.715 4.340 0.010 0.000 0.258 1268 L C -0.318 176.525 176.870 -0.045 0.000 0.973 1268 L CA -0.642 54.152 54.840 -0.078 0.000 0.826 1268 L CB 2.075 44.110 42.059 -0.041 0.000 1.372 1268 L HN -0.136 nan 8.230 nan 0.000 0.409 1269 T N -1.356 113.201 114.554 0.005 0.000 2.900 1269 T HA 0.828 5.184 4.350 0.010 0.000 0.303 1269 T C -0.573 174.181 174.700 0.090 0.000 1.142 1269 T CA -0.275 61.861 62.100 0.061 0.000 1.007 1269 T CB 1.824 70.729 68.868 0.061 0.000 1.156 1269 T HN 0.704 nan 8.240 nan 0.000 0.490 1270 T N 1.840 116.460 114.554 0.110 0.000 2.895 1270 T HA 0.790 5.146 4.350 0.010 0.000 0.283 1270 T C -0.242 174.533 174.700 0.126 0.000 1.014 1270 T CA -0.855 61.319 62.100 0.123 0.000 1.037 1270 T CB 0.982 69.906 68.868 0.094 0.000 1.006 1270 T HN 0.680 nan 8.240 nan 0.000 0.468 1271 L N 0.850 122.160 121.223 0.145 0.000 2.283 1271 L HA 0.922 5.268 4.340 0.010 0.000 0.259 1271 L C 0.620 177.588 176.870 0.164 0.000 1.027 1271 L CA -0.938 54.006 54.840 0.172 0.000 0.828 1271 L CB 2.253 44.447 42.059 0.226 0.000 1.380 1271 L HN 1.093 nan 8.230 nan 0.000 0.425 1272 G N -1.142 107.757 108.800 0.164 0.000 2.364 1272 G HA2 0.283 4.249 3.960 0.010 0.000 0.286 1272 G HA3 0.283 4.249 3.960 0.010 0.000 0.286 1272 G C -0.880 174.081 174.900 0.102 0.000 1.241 1272 G CA -0.222 44.953 45.100 0.126 0.000 0.887 1272 G HN 0.391 nan 8.290 nan 0.000 0.484 1273 K N -1.018 119.427 120.400 0.076 0.000 5.335 1273 K HA -0.316 4.010 4.320 0.010 0.000 0.272 1273 K C 2.121 178.736 176.600 0.024 0.000 0.665 1273 K CA 2.296 58.614 56.287 0.051 0.000 0.885 1273 K CB -1.768 30.753 32.500 0.035 0.000 0.784 1273 K HN 0.594 nan 8.250 nan 0.000 0.859 1274 I N 1.963 122.548 120.570 0.025 0.000 2.185 1274 I HA -0.265 3.911 4.170 0.010 0.000 0.246 1274 I C 2.322 178.381 176.117 -0.097 0.000 1.088 1274 I CA 2.097 63.387 61.300 -0.017 0.000 1.347 1274 I CB -0.476 37.546 38.000 0.037 0.000 1.041 1274 I HN 0.476 nan 8.210 nan 0.000 0.415 1275 I N -1.465 119.042 120.570 -0.106 0.000 3.241 1275 I HA -0.001 4.175 4.170 0.010 0.000 0.280 1275 I C 1.677 177.722 176.117 -0.120 0.000 1.320 1275 I CA 1.202 62.398 61.300 -0.173 0.000 1.413 1275 I CB -0.689 37.263 38.000 -0.080 0.000 1.060 1275 I HN 0.117 nan 8.210 nan 0.000 0.500 1276 G N 0.227 108.982 108.800 -0.074 0.000 3.079 1276 G HA2 0.327 4.294 3.960 0.010 0.000 0.233 1276 G HA3 0.327 4.294 3.960 0.010 0.000 0.233 1276 G C 1.200 176.068 174.900 -0.053 0.000 1.062 1276 G CA 0.179 45.239 45.100 -0.066 0.000 0.809 1276 G HN 0.632 nan 8.290 nan 0.000 0.535 1277 G N -0.118 108.653 108.800 -0.049 0.000 2.283 1277 G HA2 0.186 4.152 3.960 0.010 0.000 0.280 1277 G HA3 0.186 4.152 3.960 0.010 0.000 0.280 1277 G C 1.305 176.209 174.900 0.007 0.000 1.029 1277 G CA 1.358 46.441 45.100 -0.029 0.000 0.840 1277 G HN 1.862 nan 8.290 nan 0.000 0.505 1278 G N -2.616 106.198 108.800 0.022 0.000 2.259 1278 G HA2 -0.051 3.915 3.960 0.010 0.000 0.217 1278 G HA3 -0.051 3.915 3.960 0.010 0.000 0.217 1278 G C 0.296 175.221 174.900 0.042 0.000 1.001 1278 G CA 0.302 45.433 45.100 0.051 0.000 0.627 1278 G HN 1.159 nan 8.290 nan 0.000 0.501 1279 L N 2.217 123.449 121.223 0.015 0.000 2.418 1279 L HA 0.560 4.906 4.340 0.010 0.000 0.265 1279 L C -1.878 175.002 176.870 0.017 0.000 1.143 1279 L CA -1.846 52.999 54.840 0.008 0.000 0.809 1279 L CB 0.305 42.352 42.059 -0.020 0.000 1.124 1279 L HN -0.116 nan 8.230 nan 0.000 0.456 1280 P HA 0.191 nan 4.420 nan 0.000 0.263 1280 P C -1.031 176.285 177.300 0.027 0.000 1.195 1280 P CA 0.268 63.389 63.100 0.037 0.000 0.762 1280 P CB 0.585 32.308 31.700 0.038 0.000 0.799 1281 V N 2.191 122.131 119.914 0.043 0.000 3.253 1281 V HA 0.934 5.060 4.120 0.010 0.000 0.300 1281 V C 0.117 176.265 176.094 0.090 0.000 1.398 1281 V CA -0.555 61.775 62.300 0.050 0.000 1.067 1281 V CB 2.197 34.028 31.823 0.014 0.000 1.102 1281 V HN 0.727 nan 8.190 nan 0.000 0.455 1282 G N -0.420 108.461 108.800 0.135 0.000 2.387 1282 G HA2 0.874 4.840 3.960 0.010 0.000 0.294 1282 G HA3 0.874 4.840 3.960 0.010 0.000 0.294 1282 G C -1.542 173.498 174.900 0.234 0.000 1.509 1282 G CA 0.243 45.440 45.100 0.161 0.000 0.806 1282 G HN 1.753 nan 8.290 nan 0.000 0.546 1283 A N -0.437 122.512 122.820 0.216 0.000 2.594 1283 A HA 0.863 5.189 4.320 0.010 0.000 0.296 1283 A C -1.577 176.109 177.584 0.170 0.000 1.061 1283 A CA -0.587 51.547 52.037 0.161 0.000 0.689 1283 A CB 1.236 20.324 19.000 0.147 0.000 1.280 1283 A HN 2.230 nan 8.150 nan 0.000 0.406 1284 Y N -0.283 119.990 120.300 -0.044 0.000 2.354 1284 Y HA 0.829 5.384 4.550 0.009 0.000 0.330 1284 Y C 0.096 175.942 175.900 -0.091 0.000 1.011 1284 Y CA -0.369 57.704 58.100 -0.046 0.000 1.099 1284 Y CB 1.311 39.751 38.460 -0.033 0.000 1.179 1284 Y HN 1.178 nan 8.280 nan 0.000 0.442 1285 G N 0.615 109.382 108.800 -0.055 0.000 2.866 1285 G HA2 0.814 4.780 3.960 0.010 0.000 0.289 1285 G HA3 0.814 4.780 3.960 0.010 0.000 0.289 1285 G C -0.697 174.161 174.900 -0.071 0.000 1.396 1285 G CA -0.707 44.307 45.100 -0.143 0.000 0.848 1285 G HN 1.488 nan 8.290 nan 0.000 0.515 1286 G N -1.130 107.610 108.800 -0.099 0.000 2.367 1286 G HA2 0.405 4.371 3.960 0.010 0.000 0.272 1286 G HA3 0.405 4.371 3.960 0.010 0.000 0.272 1286 G C -1.342 173.491 174.900 -0.111 0.000 1.271 1286 G CA -0.919 44.120 45.100 -0.100 0.000 0.893 1286 G HN 0.583 nan 8.290 nan 0.000 0.485 1287 K N 0.318 120.642 120.400 -0.127 0.000 2.527 1287 K HA 0.113 4.439 4.320 0.010 0.000 0.278 1287 K C 1.466 178.000 176.600 -0.109 0.000 0.981 1287 K CA -0.207 56.009 56.287 -0.118 0.000 1.009 1287 K CB 1.068 33.484 32.500 -0.140 0.000 0.895 1287 K HN 0.653 nan 8.250 nan 0.000 0.493 1288 R N 2.801 123.254 120.500 -0.078 0.000 2.094 1288 R HA -0.205 4.141 4.340 0.010 0.000 0.239 1288 R C 1.863 178.135 176.300 -0.046 0.000 1.137 1288 R CA 2.291 58.356 56.100 -0.058 0.000 0.943 1288 R CB -0.129 30.149 30.300 -0.037 0.000 0.850 1288 R HN 0.804 nan 8.270 nan 0.000 0.433 1289 E N 0.374 120.552 120.200 -0.037 0.000 2.209 1289 E HA -0.211 4.145 4.350 0.010 0.000 0.196 1289 E C 1.908 178.509 176.600 0.002 0.000 0.993 1289 E CA 1.650 58.057 56.400 0.013 0.000 0.819 1289 E CB -0.311 29.421 29.700 0.054 0.000 0.745 1289 E HN 0.573 nan 8.360 nan 0.000 0.477 1290 I N 0.165 120.636 120.570 -0.166 0.000 2.494 1290 I HA -0.108 4.069 4.170 0.010 0.000 0.250 1290 I C 2.498 178.572 176.117 -0.071 0.000 1.112 1290 I CA 0.432 61.568 61.300 -0.274 0.000 1.438 1290 I CB -0.245 37.450 38.000 -0.508 0.000 1.111 1290 I HN -0.025 nan 8.210 nan 0.000 0.431 1291 M N 0.389 119.944 119.600 -0.074 0.000 2.358 1291 M HA -0.141 4.345 4.480 0.010 0.000 0.264 1291 M C 2.027 178.315 176.300 -0.021 0.000 1.064 1291 M CA 1.301 56.572 55.300 -0.049 0.000 1.093 1291 M CB -0.992 31.548 32.600 -0.101 0.000 1.401 1291 M HN 0.263 nan 8.290 nan 0.000 0.440 1292 Q N -0.028 119.770 119.800 -0.003 0.000 2.437 1292 Q HA -0.019 4.327 4.340 0.010 0.000 0.210 1292 Q C 1.860 177.885 176.000 0.041 0.000 0.972 1292 Q CA 0.888 56.700 55.803 0.015 0.000 0.903 1292 Q CB -0.264 28.488 28.738 0.024 0.000 0.967 1292 Q HN 0.408 nan 8.270 nan 0.000 0.486 1293 L N -0.779 120.485 121.223 0.067 0.000 2.418 1293 L HA -0.015 4.331 4.340 0.010 0.000 0.218 1293 L C 0.573 177.487 176.870 0.073 0.000 1.125 1293 L CA 0.458 55.349 54.840 0.085 0.000 0.835 1293 L CB -0.009 42.128 42.059 0.130 0.000 0.953 1293 L HN -0.168 nan 8.230 nan 0.000 0.454 1294 V N 0.939 120.890 119.914 0.062 0.000 2.521 1294 V HA 0.313 4.439 4.120 0.010 0.000 0.286 1294 V C 0.923 177.033 176.094 0.027 0.000 1.034 1294 V CA -0.798 61.539 62.300 0.061 0.000 1.045 1294 V CB 0.407 32.269 31.823 0.065 0.000 0.974 1294 V HN 0.258 nan 8.190 nan 0.000 0.480 1295 A N 8.278 131.112 122.820 0.024 0.000 2.507 1295 A HA 0.337 4.663 4.320 0.010 0.000 0.235 1295 A C -0.717 176.862 177.584 -0.008 0.000 1.070 1295 A CA -0.650 51.401 52.037 0.023 0.000 0.768 1295 A CB -0.130 18.899 19.000 0.048 0.000 1.011 1295 A HN 0.794 nan 8.150 nan 0.000 0.502 1296 P HA 0.160 nan 4.420 nan 0.000 0.257 1296 P C 0.712 178.030 177.300 0.030 0.000 1.325 1296 P CA 0.864 63.986 63.100 0.036 0.000 0.850 1296 P CB 0.376 32.099 31.700 0.038 0.000 1.324 1297 A N -0.183 122.649 122.820 0.019 0.000 1.975 1297 A HA 0.421 4.747 4.320 0.010 0.000 0.215 1297 A C 1.371 178.973 177.584 0.029 0.000 1.170 1297 A CA 1.149 53.196 52.037 0.017 0.000 0.656 1297 A CB -0.639 18.363 19.000 0.004 0.000 0.821 1297 A HN 0.363 nan 8.150 nan 0.000 0.449 1298 G N -1.946 106.877 108.800 0.039 0.000 3.140 1298 G HA2 0.501 4.467 3.960 0.010 0.000 0.271 1298 G HA3 0.501 4.467 3.960 0.010 0.000 0.271 1298 G C -2.185 172.753 174.900 0.063 0.000 1.370 1298 G CA -0.306 44.824 45.100 0.050 0.000 1.014 1298 G HN -0.068 nan 8.290 nan 0.000 0.541 1299 P HA 0.060 nan 4.420 nan 0.000 0.235 1299 P C 0.843 178.203 177.300 0.100 0.000 1.177 1299 P CA 0.282 63.428 63.100 0.076 0.000 0.785 1299 P CB 0.406 32.139 31.700 0.053 0.000 0.885 1300 M N 0.826 120.482 119.600 0.093 0.000 2.251 1300 M HA 0.070 4.556 4.480 0.010 0.000 0.346 1300 M C -0.735 175.637 176.300 0.121 0.000 1.499 1300 M CA -0.456 54.904 55.300 0.099 0.000 1.128 1300 M CB -0.134 32.514 32.600 0.080 0.000 1.809 1300 M HN -0.148 nan 8.290 nan 0.000 0.464 1301 Y N 5.346 125.663 120.300 0.030 0.000 2.359 1301 Y HA 0.226 4.780 4.550 0.006 0.000 0.330 1301 Y C -0.277 175.647 175.900 0.039 0.000 1.143 1301 Y CA 0.617 58.737 58.100 0.033 0.000 1.318 1301 Y CB 0.495 38.967 38.460 0.021 0.000 1.234 1301 Y HN 0.610 nan 8.280 nan 0.000 0.522 1302 Q N 4.593 123.940 119.800 -0.755 0.000 2.429 1302 Q HA 0.587 4.933 4.340 0.010 0.000 0.247 1302 Q C -2.265 173.401 176.000 -0.555 0.000 0.915 1302 Q CA -0.417 55.110 55.803 -0.460 0.000 0.971 1302 Q CB 1.367 30.049 28.738 -0.093 0.000 1.468 1302 Q HN 0.888 nan 8.270 nan 0.000 0.439 1303 A N 1.414 123.986 122.820 -0.412 0.000 2.515 1303 A HA 1.017 5.343 4.320 0.010 0.000 0.296 1303 A C -0.682 176.882 177.584 -0.034 0.000 1.094 1303 A CA -0.125 51.789 52.037 -0.205 0.000 0.718 1303 A CB 2.117 21.037 19.000 -0.135 0.000 1.307 1303 A HN 0.748 nan 8.150 nan 0.000 0.408 1304 G N -0.042 108.765 108.800 0.012 0.000 2.378 1304 G HA2 0.449 4.415 3.960 0.010 0.000 0.291 1304 G HA3 0.449 4.415 3.960 0.010 0.000 0.291 1304 G C 0.258 175.188 174.900 0.050 0.000 1.421 1304 G CA 0.497 45.624 45.100 0.044 0.000 1.154 1304 G HN 0.651 nan 8.290 nan 0.000 0.590 1305 T N 2.277 116.863 114.554 0.053 0.000 2.624 1305 T HA -0.179 4.178 4.350 0.010 0.000 0.268 1305 T C 1.992 176.720 174.700 0.047 0.000 1.041 1305 T CA 1.217 63.349 62.100 0.053 0.000 1.159 1305 T CB -0.111 68.788 68.868 0.052 0.000 0.863 1305 T HN 0.350 nan 8.240 nan 0.000 0.434 1306 L N 1.021 122.267 121.223 0.039 0.000 2.653 1306 L HA 0.248 4.594 4.340 0.010 0.000 0.231 1306 L C 0.601 177.485 176.870 0.022 0.000 1.153 1306 L CA -0.370 54.483 54.840 0.022 0.000 0.933 1306 L CB -0.088 41.977 42.059 0.010 0.000 1.175 1306 L HN 0.050 nan 8.230 nan 0.000 0.473 1307 S N 0.389 116.117 115.700 0.047 0.000 2.579 1307 S HA 0.319 4.795 4.470 0.010 0.000 0.275 1307 S C 1.283 175.921 174.600 0.063 0.000 1.345 1307 S CA 0.504 58.745 58.200 0.069 0.000 1.031 1307 S CB 1.015 64.275 63.200 0.099 0.000 0.892 1307 S HN 0.611 nan 8.310 nan 0.000 0.529 1308 G N 2.108 110.938 108.800 0.050 0.000 2.160 1308 G HA2 -0.310 3.656 3.960 0.010 0.000 0.251 1308 G HA3 -0.310 3.656 3.960 0.010 0.000 0.251 1308 G C -0.051 174.806 174.900 -0.073 0.000 1.008 1308 G CA 0.273 45.366 45.100 -0.012 0.000 0.724 1308 G HN 0.868 nan 8.290 nan 0.000 0.514 1309 N N 1.023 119.669 118.700 -0.090 0.000 2.292 1309 N HA 0.189 4.935 4.740 0.010 0.000 0.258 1309 N C 0.170 175.572 175.510 -0.179 0.000 1.261 1309 N CA -0.139 52.832 53.050 -0.133 0.000 0.845 1309 N CB 0.856 39.276 38.487 -0.112 0.000 1.064 1309 N HN 0.138 nan 8.380 nan 0.000 0.471 1310 P HA -0.193 nan 4.420 nan 0.000 0.218 1310 P C 1.161 178.360 177.300 -0.168 0.000 1.148 1310 P CA 1.359 64.330 63.100 -0.215 0.000 0.822 1310 P CB 0.144 31.597 31.700 -0.412 0.000 0.784 1311 L N -0.539 120.579 121.223 -0.174 0.000 2.027 1311 L HA -0.089 4.257 4.340 0.010 0.000 0.206 1311 L C 2.863 179.668 176.870 -0.109 0.000 1.074 1311 L CA 1.615 56.383 54.840 -0.120 0.000 0.745 1311 L CB -1.399 40.598 42.059 -0.104 0.000 0.898 1311 L HN -0.055 nan 8.230 nan 0.000 0.433 1312 A N -0.045 122.700 122.820 -0.124 0.000 1.902 1312 A HA -0.199 4.127 4.320 0.010 0.000 0.217 1312 A C 2.342 179.819 177.584 -0.178 0.000 1.181 1312 A CA 1.506 53.466 52.037 -0.129 0.000 0.623 1312 A CB -0.346 18.578 19.000 -0.127 0.000 0.818 1312 A HN 0.267 nan 8.150 nan 0.000 0.443 1313 M N -0.566 118.902 119.600 -0.220 0.000 2.117 1313 M HA -0.098 4.388 4.480 0.010 0.000 0.262 1313 M C 2.229 178.431 176.300 -0.164 0.000 1.065 1313 M CA 2.011 57.154 55.300 -0.262 0.000 1.114 1313 M CB -2.046 30.404 32.600 -0.250 0.000 1.361 1313 M HN 0.410 nan 8.290 nan 0.000 0.408 1314 T N 1.425 115.910 114.554 -0.115 0.000 2.708 1314 T HA -0.079 4.277 4.350 0.010 0.000 0.266 1314 T C 1.921 176.576 174.700 -0.074 0.000 1.037 1314 T CA 1.838 63.893 62.100 -0.075 0.000 1.146 1314 T CB -0.319 68.516 68.868 -0.054 0.000 0.865 1314 T HN 0.494 nan 8.240 nan 0.000 0.435 1315 A N 1.212 123.984 122.820 -0.079 0.000 1.902 1315 A HA 0.122 4.448 4.320 0.010 0.000 0.217 1315 A C 2.605 180.133 177.584 -0.093 0.000 1.181 1315 A CA 1.901 53.897 52.037 -0.069 0.000 0.623 1315 A CB -1.338 17.629 19.000 -0.054 0.000 0.818 1315 A HN 0.516 nan 8.150 nan 0.000 0.443 1316 G N 0.088 108.814 108.800 -0.124 0.000 2.421 1316 G HA2 -0.196 3.770 3.960 0.010 0.000 0.216 1316 G HA3 -0.196 3.770 3.960 0.010 0.000 0.216 1316 G C 1.542 176.350 174.900 -0.154 0.000 1.171 1316 G CA 1.127 46.132 45.100 -0.158 0.000 0.775 1316 G HN 0.467 nan 8.290 nan 0.000 0.543 1317 I N 0.439 120.936 120.570 -0.121 0.000 2.127 1317 I HA -0.176 4.001 4.170 0.010 0.000 0.241 1317 I C 2.710 178.791 176.117 -0.061 0.000 1.075 1317 I CA 1.594 62.847 61.300 -0.078 0.000 1.334 1317 I CB -0.148 37.821 38.000 -0.053 0.000 1.040 1317 I HN 0.109 nan 8.210 nan 0.000 0.405 1318 K N 0.970 121.332 120.400 -0.064 0.000 2.103 1318 K HA -0.151 4.175 4.320 0.010 0.000 0.207 1318 K C 1.958 178.501 176.600 -0.095 0.000 1.048 1318 K CA 2.003 58.251 56.287 -0.065 0.000 0.930 1318 K CB -0.638 31.827 32.500 -0.058 0.000 0.716 1318 K HN 0.217 nan 8.250 nan 0.000 0.444 1319 T N 0.954 115.443 114.554 -0.108 0.000 2.746 1319 T HA -0.089 4.267 4.350 0.010 0.000 0.267 1319 T C 1.544 176.201 174.700 -0.071 0.000 1.039 1319 T CA 1.276 63.304 62.100 -0.119 0.000 1.142 1319 T CB -0.176 68.622 68.868 -0.116 0.000 0.866 1319 T HN 0.034 nan 8.240 nan 0.000 0.444 1320 L N 1.044 122.226 121.223 -0.068 0.000 2.093 1320 L HA 0.020 4.366 4.340 0.010 0.000 0.208 1320 L C 2.465 179.429 176.870 0.157 0.000 1.085 1320 L CA 1.534 56.408 54.840 0.058 0.000 0.755 1320 L CB -0.618 41.419 42.059 -0.037 0.000 0.904 1320 L HN 0.300 nan 8.230 nan 0.000 0.435 1321 E N -0.634 119.597 120.200 0.051 0.000 2.077 1321 E HA -0.220 4.137 4.350 0.010 0.000 0.193 1321 E C 2.281 178.884 176.600 0.005 0.000 0.989 1321 E CA 1.091 57.510 56.400 0.032 0.000 0.800 1321 E CB -0.219 29.482 29.700 0.002 0.000 0.746 1321 E HN 0.435 nan 8.360 nan 0.000 0.452 1322 L N 0.637 121.839 121.223 -0.034 0.000 2.056 1322 L HA -0.186 4.160 4.340 0.010 0.000 0.207 1322 L C 2.457 179.313 176.870 -0.024 0.000 1.078 1322 L CA 0.864 55.662 54.840 -0.070 0.000 0.749 1322 L CB -0.336 41.607 42.059 -0.192 0.000 0.901 1322 L HN 0.159 nan 8.230 nan 0.000 0.433 1323 L N -0.683 120.567 121.223 0.044 0.000 2.191 1323 L HA -0.189 4.157 4.340 0.010 0.000 0.212 1323 L C 2.636 179.576 176.870 0.117 0.000 1.103 1323 L CA 0.924 55.834 54.840 0.117 0.000 0.769 1323 L CB -0.394 41.891 42.059 0.377 0.000 0.908 1323 L HN 0.195 nan 8.230 nan 0.000 0.438 1324 R N -0.536 119.978 120.500 0.024 0.000 2.189 1324 R HA -0.055 4.291 4.340 0.010 0.000 0.223 1324 R C 0.665 176.926 176.300 -0.066 0.000 1.092 1324 R CA 0.299 56.313 56.100 -0.143 0.000 0.989 1324 R CB 0.128 30.341 30.300 -0.145 0.000 0.876 1324 R HN 0.271 nan 8.270 nan 0.000 0.457 1325 Q N 0.876 120.660 119.800 -0.026 0.000 2.386 1325 Q HA 0.066 4.412 4.340 0.010 0.000 0.282 1325 Q C -2.211 173.788 176.000 -0.002 0.000 1.050 1325 Q CA -1.598 54.194 55.803 -0.018 0.000 0.918 1325 Q CB -0.102 28.625 28.738 -0.019 0.000 1.266 1325 Q HN 0.020 nan 8.270 nan 0.000 0.423 1326 P HA 0.016 nan 4.420 nan 0.000 0.266 1326 P C 0.506 177.823 177.300 0.028 0.000 1.195 1326 P CA 0.895 64.006 63.100 0.019 0.000 0.768 1326 P CB 0.369 32.076 31.700 0.011 0.000 0.838 1327 G N 1.650 110.485 108.800 0.059 0.000 2.168 1327 G HA2 -0.325 3.641 3.960 0.010 0.000 0.263 1327 G HA3 -0.325 3.641 3.960 0.010 0.000 0.263 1327 G C 1.193 176.147 174.900 0.091 0.000 0.977 1327 G CA 0.830 45.977 45.100 0.078 0.000 0.659 1327 G HN 0.486 nan 8.290 nan 0.000 0.533 1328 T N -0.247 114.341 114.554 0.058 0.000 2.569 1328 T HA -0.164 4.192 4.350 0.010 0.000 0.263 1328 T C 1.917 176.571 174.700 -0.077 0.000 1.074 1328 T CA 2.129 64.201 62.100 -0.046 0.000 1.176 1328 T CB -0.294 68.479 68.868 -0.160 0.000 0.863 1328 T HN 0.476 nan 8.240 nan 0.000 0.410 1329 Y N 1.415 121.792 120.300 0.129 0.000 2.439 1329 Y HA 0.019 4.575 4.550 0.010 0.000 0.292 1329 Y C 2.460 178.426 175.900 0.109 0.000 1.130 1329 Y CA 0.575 58.749 58.100 0.124 0.000 1.254 1329 Y CB -0.336 38.193 38.460 0.115 0.000 1.000 1329 Y HN 0.301 nan 8.280 nan 0.000 0.554 1330 E N -0.888 119.447 120.200 0.224 0.000 2.106 1330 E HA -0.220 4.136 4.350 0.010 0.000 0.192 1330 E C 1.700 178.388 176.600 0.146 0.000 0.984 1330 E CA 1.272 57.771 56.400 0.165 0.000 0.806 1330 E CB -0.538 29.248 29.700 0.143 0.000 0.750 1330 E HN 0.523 nan 8.360 nan 0.000 0.458 1331 Y N 1.066 121.387 120.300 0.036 0.000 2.114 1331 Y HA -0.163 4.393 4.550 0.010 0.000 0.284 1331 Y C 1.829 177.736 175.900 0.012 0.000 1.143 1331 Y CA 1.421 59.529 58.100 0.015 0.000 1.135 1331 Y CB -0.360 38.098 38.460 -0.003 0.000 0.980 1331 Y HN -0.034 nan 8.280 nan 0.000 0.499 1332 L N -0.029 121.182 121.223 -0.020 0.000 2.043 1332 L HA -0.284 4.063 4.340 0.010 0.000 0.212 1332 L C 2.246 179.055 176.870 -0.102 0.000 1.075 1332 L CA 1.924 56.709 54.840 -0.091 0.000 0.752 1332 L CB -0.680 41.389 42.059 0.017 0.000 0.891 1332 L HN 0.249 nan 8.230 nan 0.000 0.432 1333 D N -0.772 119.620 120.400 -0.013 0.000 2.097 1333 D HA -0.226 4.420 4.640 0.010 0.000 0.195 1333 D C 2.183 178.438 176.300 -0.075 0.000 0.989 1333 D CA 1.075 55.072 54.000 -0.005 0.000 0.827 1333 D CB 0.011 40.848 40.800 0.060 0.000 0.966 1333 D HN 0.201 nan 8.370 nan 0.000 0.456 1334 Q N 0.417 120.156 119.800 -0.101 0.000 1.975 1334 Q HA -0.181 4.165 4.340 0.010 0.000 0.205 1334 Q C 2.619 178.498 176.000 -0.201 0.000 0.990 1334 Q CA 2.166 57.894 55.803 -0.124 0.000 0.845 1334 Q CB -0.457 28.222 28.738 -0.098 0.000 0.913 1334 Q HN 0.587 nan 8.270 nan 0.000 0.420 1335 I N -1.267 119.087 120.570 -0.359 0.000 2.264 1335 I HA -0.200 3.976 4.170 0.010 0.000 0.248 1335 I C 1.980 177.934 176.117 -0.271 0.000 1.111 1335 I CA 1.944 63.042 61.300 -0.337 0.000 1.382 1335 I CB -0.811 36.897 38.000 -0.488 0.000 1.060 1335 I HN 0.020 nan 8.210 nan 0.000 0.418 1336 T N 0.849 115.246 114.554 -0.261 0.000 2.857 1336 T HA -0.138 4.219 4.350 0.010 0.000 0.266 1336 T C 1.859 176.398 174.700 -0.268 0.000 1.048 1336 T CA 1.657 63.587 62.100 -0.284 0.000 1.139 1336 T CB -0.220 68.538 68.868 -0.182 0.000 0.874 1336 T HN 0.424 nan 8.240 nan 0.000 0.455 1337 K N 1.191 121.488 120.400 -0.172 0.000 2.057 1337 K HA -0.072 4.254 4.320 0.010 0.000 0.207 1337 K C 2.547 179.057 176.600 -0.150 0.000 1.049 1337 K CA 0.954 57.166 56.287 -0.126 0.000 0.931 1337 K CB -0.086 32.374 32.500 -0.068 0.000 0.714 1337 K HN 0.128 nan 8.250 nan 0.000 0.440 1338 R N 0.915 121.321 120.500 -0.157 0.000 2.083 1338 R HA -0.131 4.215 4.340 0.010 0.000 0.237 1338 R C 2.438 178.617 176.300 -0.201 0.000 1.137 1338 R CA 1.407 57.419 56.100 -0.147 0.000 0.951 1338 R CB -0.337 29.884 30.300 -0.131 0.000 0.851 1338 R HN 0.323 nan 8.270 nan 0.000 0.434 1339 L N -0.018 121.029 121.223 -0.293 0.000 1.994 1339 L HA -0.195 4.151 4.340 0.010 0.000 0.208 1339 L C 2.481 179.087 176.870 -0.440 0.000 1.071 1339 L CA 1.886 56.473 54.840 -0.422 0.000 0.745 1339 L CB -0.490 41.178 42.059 -0.653 0.000 0.892 1339 L HN 0.281 nan 8.230 nan 0.000 0.431 1340 S N -0.324 115.116 115.700 -0.434 0.000 2.359 1340 S HA -0.228 4.248 4.470 0.010 0.000 0.224 1340 S C 1.563 176.074 174.600 -0.148 0.000 1.035 1340 S CA 1.822 59.848 58.200 -0.290 0.000 1.018 1340 S CB -0.307 62.777 63.200 -0.194 0.000 0.876 1340 S HN 0.507 nan 8.310 nan 0.000 0.448 1341 D N 0.532 120.860 120.400 -0.121 0.000 2.144 1341 D HA -0.028 4.618 4.640 0.010 0.000 0.199 1341 D C 2.064 178.318 176.300 -0.076 0.000 0.984 1341 D CA 1.185 55.145 54.000 -0.066 0.000 0.834 1341 D CB -0.960 39.808 40.800 -0.055 0.000 0.955 1341 D HN 0.542 nan 8.370 nan 0.000 0.465 1342 G N 0.922 109.645 108.800 -0.127 0.000 2.433 1342 G HA2 -0.217 3.749 3.960 0.010 0.000 0.216 1342 G HA3 -0.217 3.749 3.960 0.010 0.000 0.216 1342 G C 1.623 176.439 174.900 -0.141 0.000 1.186 1342 G CA 0.297 45.321 45.100 -0.127 0.000 0.779 1342 G HN 0.152 nan 8.290 nan 0.000 0.543 1343 L N 0.438 121.519 121.223 -0.237 0.000 2.012 1343 L HA 0.030 4.376 4.340 0.010 0.000 0.210 1343 L C 2.927 179.761 176.870 -0.060 0.000 1.073 1343 L CA 1.176 55.795 54.840 -0.367 0.000 0.748 1343 L CB -0.708 40.880 42.059 -0.786 0.000 0.891 1343 L HN 0.194 nan 8.230 nan 0.000 0.431 1344 L N -1.582 119.696 121.223 0.092 0.000 2.093 1344 L HA -0.157 4.189 4.340 0.010 0.000 0.208 1344 L C 2.594 179.521 176.870 0.095 0.000 1.085 1344 L CA 1.046 55.998 54.840 0.187 0.000 0.755 1344 L CB -0.801 41.331 42.059 0.121 0.000 0.904 1344 L HN 0.258 nan 8.230 nan 0.000 0.435 1345 A N 0.335 123.176 122.820 0.036 0.000 1.898 1345 A HA -0.137 4.189 4.320 0.010 0.000 0.216 1345 A C 2.219 179.825 177.584 0.037 0.000 1.181 1345 A CA 1.320 53.372 52.037 0.025 0.000 0.620 1345 A CB -0.557 18.442 19.000 -0.001 0.000 0.819 1345 A HN 0.333 nan 8.150 nan 0.000 0.442 1346 I N -0.317 120.269 120.570 0.025 0.000 2.315 1346 I HA -0.244 3.932 4.170 0.010 0.000 0.248 1346 I C 2.925 179.108 176.117 0.109 0.000 1.117 1346 I CA 0.953 62.277 61.300 0.041 0.000 1.404 1346 I CB -0.309 37.690 38.000 -0.003 0.000 1.071 1346 I HN 0.361 nan 8.210 nan 0.000 0.419 1347 A N 0.228 123.143 122.820 0.158 0.000 1.933 1347 A HA -0.275 4.051 4.320 0.010 0.000 0.218 1347 A C 2.220 179.921 177.584 0.194 0.000 1.175 1347 A CA 1.867 54.057 52.037 0.256 0.000 0.628 1347 A CB -0.519 18.673 19.000 0.320 0.000 0.814 1347 A HN 0.415 nan 8.150 nan 0.000 0.444 1348 Q N 0.891 120.763 119.800 0.120 0.000 2.016 1348 Q HA -0.198 4.148 4.340 0.010 0.000 0.200 1348 Q C 1.908 177.943 176.000 0.059 0.000 0.978 1348 Q CA 2.350 58.197 55.803 0.074 0.000 0.833 1348 Q CB -0.515 28.253 28.738 0.050 0.000 0.895 1348 Q HN 0.825 nan 8.270 nan 0.000 0.427 1349 E N -0.849 119.386 120.200 0.058 0.000 2.268 1349 E HA -0.129 4.228 4.350 0.010 0.000 0.195 1349 E C 1.106 177.736 176.600 0.050 0.000 0.995 1349 E CA 1.518 57.944 56.400 0.043 0.000 0.836 1349 E CB -0.374 29.347 29.700 0.036 0.000 0.763 1349 E HN 0.452 nan 8.360 nan 0.000 0.491 1350 T N -3.259 111.351 114.554 0.093 0.000 3.086 1350 T HA 0.383 4.739 4.350 0.010 0.000 0.250 1350 T C 1.388 176.079 174.700 -0.016 0.000 1.074 1350 T CA 0.056 62.220 62.100 0.106 0.000 0.988 1350 T CB 0.552 69.575 68.868 0.258 0.000 0.988 1350 T HN 0.412 nan 8.240 nan 0.000 0.530 1351 G N 1.240 110.020 108.800 -0.032 0.000 2.147 1351 G HA2 -0.217 3.749 3.960 0.010 0.000 0.244 1351 G HA3 -0.217 3.749 3.960 0.010 0.000 0.244 1351 G C -0.328 174.430 174.900 -0.236 0.000 1.005 1351 G CA -0.082 44.937 45.100 -0.135 0.000 0.713 1351 G HN 0.759 nan 8.290 nan 0.000 0.515 1352 H N 0.179 119.289 119.070 0.066 0.000 2.476 1352 H HA 0.643 5.205 4.556 0.010 0.000 0.328 1352 H C 0.683 176.063 175.328 0.086 0.000 1.073 1352 H CA 0.125 56.229 56.048 0.093 0.000 1.229 1352 H CB 1.631 31.504 29.762 0.185 0.000 1.432 1352 H HN 0.560 nan 8.280 nan 0.000 0.477 1353 A N 2.930 125.850 122.820 0.167 0.000 2.524 1353 A HA 0.550 4.877 4.320 0.010 0.000 0.250 1353 A C -0.045 177.579 177.584 0.066 0.000 1.078 1353 A CA 0.528 52.617 52.037 0.087 0.000 0.761 1353 A CB -0.456 18.578 19.000 0.057 0.000 1.012 1353 A HN 0.812 nan 8.150 nan 0.000 0.500 1354 A N 1.418 124.209 122.820 -0.048 0.000 2.612 1354 A HA 0.714 5.041 4.320 0.010 0.000 0.293 1354 A C -0.508 176.956 177.584 -0.201 0.000 1.075 1354 A CA 0.037 51.914 52.037 -0.265 0.000 0.680 1354 A CB 0.710 19.370 19.000 -0.565 0.000 1.279 1354 A HN 2.485 nan 8.150 nan 0.000 0.411 1355 C N -0.536 118.619 119.300 -0.242 0.000 3.170 1355 C HA 1.076 5.542 4.460 0.010 0.000 0.319 1355 C C 0.279 175.282 174.990 0.022 0.000 1.260 1355 C CA 0.220 59.196 59.018 -0.070 0.000 1.374 1355 C CB 1.149 28.868 27.740 -0.035 0.000 1.739 1355 C HN 2.601 nan 8.230 nan 0.000 0.479 1356 G N -0.027 108.844 108.800 0.118 0.000 2.428 1356 G HA2 1.005 4.971 3.960 0.010 0.000 0.305 1356 G HA3 1.005 4.971 3.960 0.010 0.000 0.305 1356 G C -0.506 174.529 174.900 0.225 0.000 1.260 1356 G CA 0.183 45.419 45.100 0.227 0.000 0.853 1356 G HN 2.592 nan 8.290 nan 0.000 0.480 1357 G N -1.577 107.373 108.800 0.251 0.000 2.317 1357 G HA2 0.747 4.713 3.960 0.010 0.000 0.293 1357 G HA3 0.747 4.713 3.960 0.010 0.000 0.293 1357 G C -1.743 173.226 174.900 0.115 0.000 1.287 1357 G CA 0.799 46.035 45.100 0.228 0.000 0.850 1357 G HN 1.860 nan 8.290 nan 0.000 0.515 1358 Q N -2.046 117.830 119.800 0.128 0.000 2.578 1358 Q HA 0.702 5.048 4.340 0.010 0.000 0.284 1358 Q C -1.716 174.368 176.000 0.140 0.000 0.960 1358 Q CA -0.979 54.746 55.803 -0.130 0.000 0.809 1358 Q CB 1.977 30.630 28.738 -0.142 0.000 1.462 1358 Q HN 1.234 nan 8.270 nan 0.000 0.392 1359 V N 1.562 121.565 119.914 0.147 0.000 2.567 1359 V HA 0.712 4.838 4.120 0.010 0.000 0.298 1359 V C 0.234 176.422 176.094 0.158 0.000 1.047 1359 V CA 0.288 62.735 62.300 0.246 0.000 0.880 1359 V CB 0.795 32.860 31.823 0.404 0.000 1.009 1359 V HN 1.116 nan 8.190 nan 0.000 0.429 1360 S N 4.345 120.125 115.700 0.133 0.000 3.525 1360 S HA -0.192 4.284 4.470 0.010 0.000 0.629 1360 S C 1.276 175.935 174.600 0.099 0.000 2.621 1360 S CA 1.448 59.737 58.200 0.148 0.000 3.752 1360 S CB -1.297 62.038 63.200 0.225 0.000 0.260 1360 S HN 2.142 nan 8.310 nan 0.000 1.214 1361 G N 1.086 109.970 108.800 0.139 0.000 3.474 1361 G HA2 0.467 4.433 3.960 0.010 0.000 0.269 1361 G HA3 0.467 4.433 3.960 0.010 0.000 0.269 1361 G C -0.100 174.906 174.900 0.178 0.000 1.339 1361 G CA 0.493 45.666 45.100 0.121 0.000 1.258 1361 G HN 0.670 nan 8.290 nan 0.000 0.560 1362 M N 0.811 120.458 119.600 0.080 0.000 2.326 1362 M HA 0.691 5.177 4.480 0.010 0.000 0.292 1362 M C -1.540 174.437 176.300 -0.537 0.000 1.081 1362 M CA -1.141 54.094 55.300 -0.108 0.000 0.919 1362 M CB 1.958 34.612 32.600 0.090 0.000 1.634 1362 M HN 0.140 nan 8.290 nan 0.000 0.451 1363 F N 1.711 121.128 119.950 -0.889 0.000 2.715 1363 F HA 1.020 5.553 4.527 0.010 0.000 0.318 1363 F C -0.883 174.474 175.800 -0.740 0.000 1.141 1363 F CA -0.715 56.640 58.000 -1.075 0.000 0.950 1363 F CB 1.280 39.938 39.000 -0.570 0.000 1.374 1363 F HN 0.581 nan 8.300 nan 0.000 0.477 1364 G N 0.171 108.786 108.800 -0.308 0.000 2.690 1364 G HA2 0.629 4.595 3.960 0.010 0.000 0.293 1364 G HA3 0.629 4.595 3.960 0.010 0.000 0.293 1364 G C -2.762 172.131 174.900 -0.012 0.000 1.399 1364 G CA -0.871 44.100 45.100 -0.214 0.000 0.890 1364 G HN 0.929 nan 8.290 nan 0.000 0.485 1365 F N 1.225 120.896 119.950 -0.465 0.000 2.730 1365 F HA 0.676 5.209 4.527 0.010 0.000 0.335 1365 F C -1.799 173.656 175.800 -0.576 0.000 1.212 1365 F CA -1.483 56.295 58.000 -0.369 0.000 1.016 1365 F CB 1.107 39.946 39.000 -0.268 0.000 1.290 1365 F HN 0.323 nan 8.300 nan 0.000 0.495 1366 F N 5.376 124.946 119.950 -0.634 0.000 2.450 1366 F HA 0.437 4.970 4.527 0.010 0.000 0.332 1366 F C -0.245 175.109 175.800 -0.743 0.000 1.093 1366 F CA -0.708 56.959 58.000 -0.555 0.000 1.003 1366 F CB 1.209 40.026 39.000 -0.306 0.000 1.151 1366 F HN 0.289 nan 8.300 nan 0.000 0.474 1367 F N 1.873 121.710 119.950 -0.188 0.000 2.640 1367 F HA 0.334 4.867 4.527 0.010 0.000 0.354 1367 F C 0.493 176.236 175.800 -0.095 0.000 1.213 1367 F CA 0.042 57.925 58.000 -0.193 0.000 1.314 1367 F CB 0.147 39.091 39.000 -0.093 0.000 1.679 1367 F HN 0.404 nan 8.300 nan 0.000 0.622 1368 T N -0.456 114.113 114.554 0.025 0.000 2.886 1368 T HA 0.111 4.467 4.350 0.010 0.000 0.330 1368 T C 0.796 175.473 174.700 -0.039 0.000 1.488 1368 T CA -0.587 61.516 62.100 0.004 0.000 1.054 1368 T CB 1.103 69.954 68.868 -0.028 0.000 1.348 1368 T HN 0.567 nan 8.240 nan 0.000 0.489 1369 E N 1.836 122.019 120.200 -0.029 0.000 2.153 1369 E HA 0.268 4.624 4.350 0.010 0.000 0.194 1369 E C 1.375 177.947 176.600 -0.047 0.000 0.988 1369 E CA 0.806 57.187 56.400 -0.032 0.000 0.811 1369 E CB -0.546 29.142 29.700 -0.019 0.000 0.746 1369 E HN 1.163 nan 8.360 nan 0.000 0.466 1370 G N 1.769 110.528 108.800 -0.068 0.000 2.564 1370 G HA2 -0.292 3.674 3.960 0.010 0.000 0.273 1370 G HA3 -0.292 3.674 3.960 0.010 0.000 0.273 1370 G C -2.070 172.816 174.900 -0.025 0.000 1.242 1370 G CA -0.051 45.001 45.100 -0.080 0.000 0.951 1370 G HN 0.370 nan 8.290 nan 0.000 0.564 1371 P HA 0.451 nan 4.420 nan 0.000 0.271 1371 P C -0.212 177.077 177.300 -0.019 0.000 1.233 1371 P CA -0.535 62.566 63.100 0.001 0.000 0.789 1371 P CB 0.773 32.517 31.700 0.075 0.000 0.951 1372 V N 2.209 122.012 119.914 -0.185 0.000 2.333 1372 V HA 0.123 4.249 4.120 0.010 0.000 0.274 1372 V C 0.413 176.363 176.094 -0.239 0.000 1.028 1372 V CA 0.113 62.244 62.300 -0.281 0.000 0.851 1372 V CB 0.341 31.732 31.823 -0.721 0.000 1.000 1372 V HN 0.603 nan 8.190 nan 0.000 0.456 1373 H N 2.770 121.744 119.070 -0.160 0.000 2.750 1373 H HA 0.236 4.799 4.556 0.010 0.000 0.263 1373 H C 0.668 175.956 175.328 -0.067 0.000 0.964 1373 H CA 0.314 56.296 56.048 -0.111 0.000 1.205 1373 H CB 0.398 30.094 29.762 -0.111 0.000 1.454 1373 H HN 0.815 nan 8.280 nan 0.000 0.503 1374 N N -2.645 116.075 118.700 0.033 0.000 3.243 1374 N HA -0.011 4.735 4.740 0.010 0.000 0.280 1374 N C 0.145 175.679 175.510 0.040 0.000 1.545 1374 N CA -0.849 52.240 53.050 0.066 0.000 0.854 1374 N CB 0.424 38.967 38.487 0.093 0.000 1.612 1374 N HN -0.137 nan 8.380 nan 0.000 0.577 1375 Y N -0.248 120.035 120.300 -0.029 0.000 2.242 1375 Y HA 0.024 4.580 4.550 0.011 0.000 0.291 1375 Y C 2.061 177.923 175.900 -0.063 0.000 1.137 1375 Y CA 2.073 60.138 58.100 -0.058 0.000 1.181 1375 Y CB -0.070 38.353 38.460 -0.061 0.000 0.989 1375 Y HN 0.800 nan 8.280 nan 0.000 0.527 1376 E N -0.206 119.929 120.200 -0.109 0.000 2.085 1376 E HA -0.237 4.119 4.350 0.010 0.000 0.194 1376 E C 1.559 178.038 176.600 -0.202 0.000 0.994 1376 E CA 1.641 57.931 56.400 -0.184 0.000 0.801 1376 E CB -0.078 29.584 29.700 -0.062 0.000 0.743 1376 E HN 0.512 nan 8.360 nan 0.000 0.453 1377 D N 0.229 120.535 120.400 -0.156 0.000 2.097 1377 D HA -0.147 4.499 4.640 0.010 0.000 0.195 1377 D C 1.862 178.010 176.300 -0.253 0.000 0.989 1377 D CA 1.354 55.250 54.000 -0.174 0.000 0.827 1377 D CB -0.451 40.261 40.800 -0.148 0.000 0.966 1377 D HN 0.286 nan 8.370 nan 0.000 0.456 1378 A N 1.282 123.920 122.820 -0.303 0.000 1.908 1378 A HA -0.217 4.109 4.320 0.010 0.000 0.218 1378 A C 1.967 179.568 177.584 0.029 0.000 1.181 1378 A CA 1.432 53.314 52.037 -0.258 0.000 0.627 1378 A CB -0.538 18.475 19.000 0.021 0.000 0.818 1378 A HN 0.132 nan 8.150 nan 0.000 0.445 1379 K N -0.352 119.933 120.400 -0.191 0.000 2.585 1379 K HA -0.087 4.239 4.320 0.010 0.000 0.194 1379 K C 1.279 177.865 176.600 -0.023 0.000 1.037 1379 K CA 0.983 57.185 56.287 -0.141 0.000 0.964 1379 K CB -0.086 32.133 32.500 -0.468 0.000 0.787 1379 K HN 0.475 nan 8.250 nan 0.000 0.488 1380 K N 0.178 120.548 120.400 -0.050 0.000 2.400 1380 K HA 0.069 4.395 4.320 0.010 0.000 0.194 1380 K C 0.309 176.913 176.600 0.007 0.000 1.033 1380 K CA -0.052 56.216 56.287 -0.032 0.000 1.021 1380 K CB 0.481 32.944 32.500 -0.062 0.000 0.808 1380 K HN -0.065 nan 8.250 nan 0.000 0.505 1381 S N 2.023 117.741 115.700 0.029 0.000 2.558 1381 S HA -0.065 4.411 4.470 0.010 0.000 0.288 1381 S C 0.035 174.678 174.600 0.073 0.000 1.318 1381 S CA -0.180 58.055 58.200 0.059 0.000 1.056 1381 S CB 0.510 63.739 63.200 0.047 0.000 0.853 1381 S HN 0.158 nan 8.310 nan 0.000 0.505 1382 D N 2.141 122.607 120.400 0.109 0.000 2.416 1382 D HA 0.092 4.738 4.640 0.010 0.000 0.240 1382 D C 0.756 177.116 176.300 0.100 0.000 1.250 1382 D CA -0.360 53.686 54.000 0.076 0.000 0.967 1382 D CB 0.140 40.961 40.800 0.034 0.000 1.059 1382 D HN 0.218 nan 8.370 nan 0.000 0.512 1383 L N 3.267 124.543 121.223 0.088 0.000 2.079 1383 L HA -0.177 4.169 4.340 0.010 0.000 0.210 1383 L C 2.394 179.344 176.870 0.134 0.000 1.081 1383 L CA 1.561 56.469 54.840 0.113 0.000 0.752 1383 L CB -0.628 41.489 42.059 0.097 0.000 0.896 1383 L HN 0.495 nan 8.230 nan 0.000 0.433 1384 Q N -0.807 119.036 119.800 0.072 0.000 2.084 1384 Q HA -0.256 4.090 4.340 0.010 0.000 0.202 1384 Q C 2.282 178.283 176.000 0.001 0.000 0.978 1384 Q CA 1.652 57.481 55.803 0.043 0.000 0.844 1384 Q CB -0.130 28.622 28.738 0.022 0.000 0.898 1384 Q HN 0.433 nan 8.270 nan 0.000 0.426 1385 K N 0.194 120.553 120.400 -0.069 0.000 2.057 1385 K HA -0.185 4.141 4.320 0.010 0.000 0.207 1385 K C 1.882 178.321 176.600 -0.268 0.000 1.049 1385 K CA 1.144 57.266 56.287 -0.276 0.000 0.931 1385 K CB -0.201 31.988 32.500 -0.517 0.000 0.714 1385 K HN 0.096 nan 8.250 nan 0.000 0.440 1386 F N 1.201 121.083 119.950 -0.113 0.000 2.134 1386 F HA -0.200 4.333 4.527 0.010 0.000 0.299 1386 F C 2.528 178.444 175.800 0.193 0.000 1.097 1386 F CA 1.756 59.892 58.000 0.226 0.000 1.264 1386 F CB -0.608 38.529 39.000 0.230 0.000 1.001 1386 F HN 0.058 nan 8.300 nan 0.000 0.479 1387 S N 0.249 116.041 115.700 0.154 0.000 2.359 1387 S HA -0.214 4.262 4.470 0.010 0.000 0.224 1387 S C 2.241 176.833 174.600 -0.013 0.000 1.035 1387 S CA 1.559 59.796 58.200 0.061 0.000 1.018 1387 S CB -0.303 62.948 63.200 0.085 0.000 0.876 1387 S HN 0.463 nan 8.310 nan 0.000 0.448 1388 R N -0.737 119.751 120.500 -0.019 0.000 2.096 1388 R HA -0.055 4.291 4.340 0.010 0.000 0.235 1388 R C 2.119 178.389 176.300 -0.050 0.000 1.127 1388 R CA 1.553 57.635 56.100 -0.031 0.000 0.968 1388 R CB -0.603 29.673 30.300 -0.040 0.000 0.861 1388 R HN 0.515 nan 8.270 nan 0.000 0.440 1389 F N 1.564 121.373 119.950 -0.234 0.000 2.075 1389 F HA -0.262 4.271 4.527 0.010 0.000 0.297 1389 F C 2.564 178.198 175.800 -0.277 0.000 1.113 1389 F CA 1.801 59.667 58.000 -0.222 0.000 1.218 1389 F CB -0.664 38.288 39.000 -0.080 0.000 0.984 1389 F HN 0.083 nan 8.300 nan 0.000 0.472 1390 H N 0.230 118.937 119.070 -0.606 0.000 2.319 1390 H HA -0.199 4.363 4.556 0.010 0.000 0.299 1390 H C 2.438 177.503 175.328 -0.437 0.000 1.092 1390 H CA 2.127 57.774 56.048 -0.668 0.000 1.302 1390 H CB -0.211 29.178 29.762 -0.621 0.000 1.373 1390 H HN 0.144 nan 8.280 nan 0.000 0.497 1391 R N 0.313 120.736 120.500 -0.129 0.000 2.081 1391 R HA -0.057 4.289 4.340 0.010 0.000 0.235 1391 R C 2.767 178.928 176.300 -0.232 0.000 1.131 1391 R CA 1.548 57.605 56.100 -0.071 0.000 0.960 1391 R CB -1.129 29.189 30.300 0.030 0.000 0.856 1391 R HN 0.454 nan 8.270 nan 0.000 0.436 1392 G N -0.088 108.556 108.800 -0.259 0.000 2.421 1392 G HA2 -0.239 3.727 3.960 0.010 0.000 0.216 1392 G HA3 -0.239 3.727 3.960 0.010 0.000 0.216 1392 G C 1.288 175.960 174.900 -0.380 0.000 1.171 1392 G CA 0.931 45.869 45.100 -0.270 0.000 0.775 1392 G HN 0.183 nan 8.290 nan 0.000 0.543 1393 M N -0.184 119.088 119.600 -0.547 0.000 2.149 1393 M HA 0.028 4.514 4.480 0.010 0.000 0.261 1393 M C 2.506 178.563 176.300 -0.405 0.000 1.064 1393 M CA 0.765 55.740 55.300 -0.541 0.000 1.102 1393 M CB -1.087 31.031 32.600 -0.802 0.000 1.369 1393 M HN 0.197 nan 8.290 nan 0.000 0.408 1394 L N 0.630 121.583 121.223 -0.450 0.000 2.046 1394 L HA -0.167 4.179 4.340 0.010 0.000 0.208 1394 L C 2.184 178.651 176.870 -0.672 0.000 1.077 1394 L CA 1.857 56.510 54.840 -0.312 0.000 0.747 1394 L CB -0.735 41.196 42.059 -0.214 0.000 0.896 1394 L HN 0.350 nan 8.230 nan 0.000 0.432 1395 E N -1.275 118.386 120.200 -0.899 0.000 2.204 1395 E HA -0.194 4.162 4.350 0.010 0.000 0.195 1395 E C 1.533 177.824 176.600 -0.515 0.000 0.990 1395 E CA 0.639 56.389 56.400 -1.082 0.000 0.821 1395 E CB 0.009 29.384 29.700 -0.541 0.000 0.750 1395 E HN 0.489 nan 8.360 nan 0.000 0.477 1396 Q N -0.642 118.947 119.800 -0.352 0.000 2.320 1396 Q HA 0.100 4.446 4.340 0.010 0.000 0.201 1396 Q C 0.845 176.749 176.000 -0.161 0.000 0.910 1396 Q CA 0.603 56.281 55.803 -0.209 0.000 0.946 1396 Q CB 1.265 29.896 28.738 -0.177 0.000 1.062 1396 Q HN 0.383 nan 8.270 nan 0.000 0.503 1397 G N 1.236 109.937 108.800 -0.166 0.000 2.137 1397 G HA2 -0.187 3.779 3.960 0.010 0.000 0.237 1397 G HA3 -0.187 3.779 3.960 0.010 0.000 0.237 1397 G C -0.069 174.896 174.900 0.109 0.000 1.002 1397 G CA -0.238 44.797 45.100 -0.108 0.000 0.702 1397 G HN 0.226 nan 8.290 nan 0.000 0.515 1398 I N 0.201 120.853 120.570 0.137 0.000 2.389 1398 I HA 0.372 4.548 4.170 0.010 0.000 0.288 1398 I C -0.428 175.762 176.117 0.122 0.000 0.999 1398 I CA -1.838 59.552 61.300 0.150 0.000 1.129 1398 I CB 1.350 39.341 38.000 -0.014 0.000 1.288 1398 I HN 0.133 nan 8.210 nan 0.000 0.444 1399 Y N 7.215 127.549 120.300 0.057 0.000 2.454 1399 Y HA 0.541 5.097 4.550 0.010 0.000 0.345 1399 Y C -0.657 175.247 175.900 0.008 0.000 0.970 1399 Y CA -0.258 57.777 58.100 -0.108 0.000 1.204 1399 Y CB 0.774 39.121 38.460 -0.188 0.000 1.122 1399 Y HN 0.421 nan 8.280 nan 0.000 0.514 1400 L N 4.789 125.732 121.223 -0.466 0.000 2.334 1400 L HA 0.707 5.053 4.340 0.010 0.000 0.270 1400 L C 0.252 176.982 176.870 -0.233 0.000 1.018 1400 L CA -1.571 53.134 54.840 -0.225 0.000 0.811 1400 L CB 1.381 43.329 42.059 -0.185 0.000 1.271 1400 L HN 0.651 nan 8.230 nan 0.000 0.443 1401 A N 2.627 125.397 122.820 -0.083 0.000 2.566 1401 A HA 0.164 4.490 4.320 0.010 0.000 0.245 1401 A C -1.812 175.798 177.584 0.044 0.000 1.056 1401 A CA -0.695 51.323 52.037 -0.032 0.000 0.757 1401 A CB -0.577 18.472 19.000 0.081 0.000 0.979 1401 A HN 0.525 nan 8.150 nan 0.000 0.508 1402 P HA 0.058 nan 4.420 nan 0.000 0.277 1402 P C -0.272 176.835 177.300 -0.322 0.000 1.617 1402 P CA 0.673 63.320 63.100 -0.756 0.000 0.829 1402 P CB -0.313 30.678 31.700 -1.182 0.000 1.774 1403 S N 0.032 115.711 115.700 -0.036 0.000 2.560 1403 S HA 0.155 4.631 4.470 0.010 0.000 0.283 1403 S C 0.717 174.968 174.600 -0.581 0.000 1.141 1403 S CA -0.466 57.651 58.200 -0.139 0.000 0.902 1403 S CB 1.528 64.692 63.200 -0.060 0.000 1.104 1403 S HN -0.036 nan 8.310 nan 0.000 0.454 1404 Q N 2.947 121.996 119.800 -1.252 0.000 2.226 1404 Q HA 0.136 4.483 4.340 0.010 0.000 0.204 1404 Q C 0.149 175.485 176.000 -1.108 0.000 0.975 1404 Q CA 1.974 56.671 55.803 -1.843 0.000 0.866 1404 Q CB -0.278 27.458 28.738 -1.670 0.000 0.915 1404 Q HN 0.759 nan 8.270 nan 0.000 0.440 1405 F N 0.965 120.739 119.950 -0.293 0.000 2.898 1405 F HA 0.364 4.897 4.527 0.010 0.000 0.290 1405 F C -0.075 175.668 175.800 -0.096 0.000 1.195 1405 F CA -0.387 57.553 58.000 -0.099 0.000 1.387 1405 F CB 0.407 39.420 39.000 0.021 0.000 0.976 1405 F HN -0.134 nan 8.300 nan 0.000 0.510 1406 E N 1.002 121.163 120.200 -0.066 0.000 2.256 1406 E HA 0.540 4.896 4.350 0.010 0.000 0.268 1406 E C -0.490 176.021 176.600 -0.149 0.000 0.877 1406 E CA -0.582 55.826 56.400 0.013 0.000 0.757 1406 E CB 2.177 31.990 29.700 0.188 0.000 1.183 1406 E HN 0.128 nan 8.360 nan 0.000 0.418 1407 A N 2.033 124.742 122.820 -0.186 0.000 2.366 1407 A HA 0.629 4.955 4.320 0.010 0.000 0.249 1407 A C 0.647 177.690 177.584 -0.902 0.000 1.084 1407 A CA 0.381 52.125 52.037 -0.488 0.000 0.794 1407 A CB 0.389 19.182 19.000 -0.346 0.000 1.034 1407 A HN 0.520 nan 8.150 nan 0.000 0.491 1408 G N -1.005 106.962 108.800 -1.388 0.000 2.462 1408 G HA2 0.612 4.578 3.960 0.010 0.000 0.319 1408 G HA3 0.612 4.578 3.960 0.010 0.000 0.319 1408 G C -0.941 173.080 174.900 -1.465 0.000 1.171 1408 G CA -0.533 43.660 45.100 -1.512 0.000 0.920 1408 G HN 0.477 nan 8.290 nan 0.000 0.499 1409 F N -0.496 119.356 119.950 -0.162 0.000 2.565 1409 F HA 0.563 5.096 4.527 0.011 0.000 0.313 1409 F C 0.646 176.515 175.800 0.115 0.000 1.091 1409 F CA -0.749 57.266 58.000 0.024 0.000 0.915 1409 F CB 2.899 41.892 39.000 -0.012 0.000 1.208 1409 F HN 0.634 nan 8.300 nan 0.000 0.453 1410 T N -1.448 113.224 114.554 0.196 0.000 2.940 1410 T HA 0.844 5.200 4.350 0.010 0.000 0.288 1410 T C -0.431 174.211 174.700 -0.096 0.000 1.045 1410 T CA -0.759 61.212 62.100 -0.217 0.000 1.018 1410 T CB 1.791 70.544 68.868 -0.191 0.000 1.151 1410 T HN 0.729 nan 8.240 nan 0.000 0.529 1411 S N 0.046 115.712 115.700 -0.058 0.000 2.661 1411 S HA 0.485 4.961 4.470 0.010 0.000 0.285 1411 S C 0.789 175.509 174.600 0.200 0.000 1.138 1411 S CA -1.170 57.103 58.200 0.121 0.000 0.855 1411 S CB 0.816 64.089 63.200 0.122 0.000 1.136 1411 S HN 0.660 nan 8.310 nan 0.000 0.484 1412 L N 0.631 121.947 121.223 0.156 0.000 2.456 1412 L HA 0.044 4.390 4.340 0.010 0.000 0.224 1412 L C 2.552 179.523 176.870 0.169 0.000 1.148 1412 L CA 1.232 56.198 54.840 0.210 0.000 0.825 1412 L CB -0.870 41.233 42.059 0.074 0.000 0.937 1412 L HN 0.906 nan 8.230 nan 0.000 0.450 1413 A N -1.681 121.206 122.820 0.112 0.000 2.030 1413 A HA -0.021 4.305 4.320 0.010 0.000 0.215 1413 A C 0.533 178.094 177.584 -0.037 0.000 1.164 1413 A CA 0.060 52.091 52.037 -0.009 0.000 0.697 1413 A CB -0.417 18.509 19.000 -0.124 0.000 0.827 1413 A HN 0.315 nan 8.150 nan 0.000 0.457 1414 H N 1.316 120.365 119.070 -0.035 0.000 2.964 1414 H HA 0.299 4.861 4.556 0.010 0.000 0.328 1414 H C 0.961 176.360 175.328 0.117 0.000 1.030 1414 H CA 1.201 57.221 56.048 -0.046 0.000 1.445 1414 H CB 0.558 30.282 29.762 -0.063 0.000 1.449 1414 H HN 0.393 nan 8.280 nan 0.000 0.581 1415 T N -0.374 114.278 114.554 0.163 0.000 2.936 1415 T HA 0.158 4.514 4.350 0.010 0.000 0.282 1415 T C 1.325 176.125 174.700 0.166 0.000 1.003 1415 T CA -0.973 61.246 62.100 0.199 0.000 1.005 1415 T CB 1.634 70.579 68.868 0.129 0.000 1.097 1415 T HN 0.542 nan 8.240 nan 0.000 0.532 1416 E N 0.454 120.747 120.200 0.155 0.000 2.130 1416 E HA -0.160 4.196 4.350 0.010 0.000 0.196 1416 E C 1.806 178.447 176.600 0.068 0.000 0.998 1416 E CA 1.629 58.082 56.400 0.090 0.000 0.806 1416 E CB -0.351 29.399 29.700 0.084 0.000 0.738 1416 E HN 0.779 nan 8.360 nan 0.000 0.459 1417 E N 0.429 120.675 120.200 0.076 0.000 2.106 1417 E HA -0.136 4.220 4.350 0.010 0.000 0.192 1417 E C 1.675 178.322 176.600 0.079 0.000 0.984 1417 E CA 1.262 57.700 56.400 0.062 0.000 0.806 1417 E CB -0.174 29.560 29.700 0.058 0.000 0.750 1417 E HN 0.336 nan 8.360 nan 0.000 0.458 1418 D N 0.238 120.706 120.400 0.114 0.000 2.097 1418 D HA -0.136 4.510 4.640 0.010 0.000 0.195 1418 D C 1.856 178.259 176.300 0.171 0.000 0.989 1418 D CA 0.791 54.882 54.000 0.152 0.000 0.827 1418 D CB -0.076 40.804 40.800 0.134 0.000 0.966 1418 D HN 0.124 nan 8.370 nan 0.000 0.456 1419 I N 1.904 122.557 120.570 0.139 0.000 2.163 1419 I HA -0.216 3.960 4.170 0.010 0.000 0.243 1419 I C 1.832 177.950 176.117 0.002 0.000 1.085 1419 I CA 1.313 62.652 61.300 0.065 0.000 1.347 1419 I CB -1.030 36.962 38.000 -0.014 0.000 1.044 1419 I HN -0.038 nan 8.210 nan 0.000 0.408 1420 D N 1.032 121.437 120.400 0.008 0.000 2.117 1420 D HA -0.092 4.554 4.640 0.010 0.000 0.198 1420 D C 2.274 178.570 176.300 -0.008 0.000 0.982 1420 D CA 1.513 55.506 54.000 -0.011 0.000 0.828 1420 D CB -0.085 40.713 40.800 -0.003 0.000 0.967 1420 D HN 0.310 nan 8.370 nan 0.000 0.464 1421 A N 0.548 123.378 122.820 0.017 0.000 1.933 1421 A HA -0.154 4.172 4.320 0.010 0.000 0.218 1421 A C 2.361 179.946 177.584 0.002 0.000 1.175 1421 A CA 1.965 54.008 52.037 0.011 0.000 0.628 1421 A CB -0.840 18.176 19.000 0.027 0.000 0.814 1421 A HN 0.204 nan 8.150 nan 0.000 0.444 1422 T N 0.530 115.097 114.554 0.022 0.000 2.708 1422 T HA -0.075 4.281 4.350 0.010 0.000 0.266 1422 T C 1.814 176.457 174.700 -0.094 0.000 1.037 1422 T CA 1.432 63.520 62.100 -0.019 0.000 1.146 1422 T CB -0.372 68.484 68.868 -0.020 0.000 0.865 1422 T HN 0.372 nan 8.240 nan 0.000 0.435 1423 L N 0.757 121.921 121.223 -0.099 0.000 2.046 1423 L HA -0.086 4.260 4.340 0.010 0.000 0.208 1423 L C 3.093 179.923 176.870 -0.066 0.000 1.077 1423 L CA 1.181 55.957 54.840 -0.107 0.000 0.747 1423 L CB -0.751 41.247 42.059 -0.102 0.000 0.896 1423 L HN 0.252 nan 8.230 nan 0.000 0.432 1424 A N 0.216 123.007 122.820 -0.047 0.000 1.883 1424 A HA -0.221 4.105 4.320 0.010 0.000 0.217 1424 A C 2.545 180.107 177.584 -0.038 0.000 1.186 1424 A CA 1.944 53.960 52.037 -0.034 0.000 0.624 1424 A CB -0.757 18.227 19.000 -0.028 0.000 0.822 1424 A HN 0.412 nan 8.150 nan 0.000 0.444 1425 A N -0.234 122.555 122.820 -0.052 0.000 1.902 1425 A HA 0.148 4.474 4.320 0.010 0.000 0.217 1425 A C 2.525 180.071 177.584 -0.064 0.000 1.181 1425 A CA 2.202 54.196 52.037 -0.072 0.000 0.623 1425 A CB -1.077 17.866 19.000 -0.095 0.000 0.818 1425 A HN 1.124 nan 8.150 nan 0.000 0.443 1426 A N -0.188 122.600 122.820 -0.054 0.000 1.908 1426 A HA -0.182 4.144 4.320 0.010 0.000 0.218 1426 A C 2.207 179.834 177.584 0.072 0.000 1.181 1426 A CA 2.026 54.087 52.037 0.040 0.000 0.627 1426 A CB -0.471 18.519 19.000 -0.017 0.000 0.818 1426 A HN 0.575 nan 8.150 nan 0.000 0.445 1427 R N -0.805 119.705 120.500 0.018 0.000 2.073 1427 R HA -0.102 4.244 4.340 0.010 0.000 0.234 1427 R C 2.182 178.507 176.300 0.040 0.000 1.134 1427 R CA 2.246 58.365 56.100 0.032 0.000 0.952 1427 R CB -0.884 29.422 30.300 0.009 0.000 0.850 1427 R HN 0.419 nan 8.270 nan 0.000 0.433 1428 T N 0.082 114.644 114.554 0.013 0.000 2.684 1428 T HA -0.121 4.235 4.350 0.010 0.000 0.267 1428 T C 1.747 176.458 174.700 0.018 0.000 1.036 1428 T CA 1.637 63.741 62.100 0.006 0.000 1.148 1428 T CB -0.172 68.683 68.868 -0.022 0.000 0.863 1428 T HN 0.056 nan 8.240 nan 0.000 0.436 1429 V N 1.299 121.225 119.914 0.019 0.000 2.358 1429 V HA -0.108 4.018 4.120 0.010 0.000 0.246 1429 V C 2.465 178.622 176.094 0.106 0.000 1.047 1429 V CA 1.525 63.846 62.300 0.036 0.000 1.035 1429 V CB -0.537 31.275 31.823 -0.018 0.000 0.658 1429 V HN 0.487 nan 8.190 nan 0.000 0.452 1430 M N -0.282 119.409 119.600 0.152 0.000 2.296 1430 M HA -0.117 4.369 4.480 0.010 0.000 0.265 1430 M C 2.300 178.711 176.300 0.184 0.000 1.064 1430 M CA 1.360 56.719 55.300 0.098 0.000 1.109 1430 M CB -0.399 32.269 32.600 0.113 0.000 1.396 1430 M HN 0.325 nan 8.290 nan 0.000 0.430 1431 S N 0.637 116.420 115.700 0.139 0.000 2.447 1431 S HA -0.021 4.456 4.470 0.010 0.000 0.233 1431 S C 1.816 176.480 174.600 0.106 0.000 1.006 1431 S CA 1.201 59.475 58.200 0.122 0.000 0.957 1431 S CB -0.164 63.078 63.200 0.070 0.000 0.773 1431 S HN 0.564 nan 8.310 nan 0.000 0.507 1432 A N 0.308 123.180 122.820 0.086 0.000 2.267 1432 A HA 0.422 4.748 4.320 0.010 0.000 0.213 1432 A C 0.854 178.477 177.584 0.065 0.000 1.192 1432 A CA -0.175 51.898 52.037 0.059 0.000 0.851 1432 A CB -0.072 18.945 19.000 0.029 0.000 0.881 1432 A HN 0.329 nan 8.150 nan 0.000 0.494 1433 L N 0.000 121.277 121.223 0.089 0.000 2.949 1433 L HA 0.000 4.346 4.340 0.010 0.000 0.249 1433 L CA 0.000 54.874 54.840 0.057 0.000 0.813 1433 L CB 0.000 41.971 42.059 -0.147 0.000 0.961 1433 L HN 0.000 nan 8.230 nan 0.000 0.502