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 3fq7_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 0.000 175.812 175.800 0.020 0.000 0.967 1007 F CA 0.000 58.002 58.000 0.002 0.000 1.383 1007 F CB 0.000 39.009 39.000 0.015 0.000 1.145 1008 K N 2.100 122.304 120.400 -0.327 0.000 2.172 1008 K HA 0.717 5.044 4.320 0.012 0.000 0.276 1008 K C -0.080 176.230 176.600 -0.484 0.000 1.013 1008 K CA 0.092 56.194 56.287 -0.308 0.000 0.913 1008 K CB 1.581 33.989 32.500 -0.153 0.000 1.055 1008 K HN 0.525 nan 8.250 nan 0.000 0.461 1009 T N 0.490 114.850 114.554 -0.323 0.000 3.399 1009 T HA 0.177 4.534 4.350 0.012 0.000 0.305 1009 T C 1.185 175.823 174.700 -0.103 0.000 0.983 1009 T CA -0.535 61.417 62.100 -0.247 0.000 0.967 1009 T CB -0.187 68.545 68.868 -0.226 0.000 1.186 1009 T HN 0.515 nan 8.240 nan 0.000 0.504 1010 I N 2.191 122.710 120.570 -0.084 0.000 2.118 1010 I HA -0.173 4.005 4.170 0.012 0.000 0.241 1010 I C 2.405 178.513 176.117 -0.015 0.000 1.070 1010 I CA 1.629 62.908 61.300 -0.036 0.000 1.327 1010 I CB -0.850 37.130 38.000 -0.032 0.000 1.034 1010 I HN 0.387 nan 8.210 nan 0.000 0.405 1011 K N 0.358 120.747 120.400 -0.019 0.000 2.057 1011 K HA -0.092 4.235 4.320 0.012 0.000 0.206 1011 K C 2.341 178.954 176.600 0.021 0.000 1.050 1011 K CA 1.510 57.799 56.287 0.003 0.000 0.935 1011 K CB -0.141 32.360 32.500 0.002 0.000 0.715 1011 K HN 0.155 nan 8.250 nan 0.000 0.439 1012 S N 1.351 117.058 115.700 0.012 0.000 2.368 1012 S HA -0.150 4.328 4.470 0.012 0.000 0.225 1012 S C 1.370 176.008 174.600 0.065 0.000 1.030 1012 S CA 1.502 59.719 58.200 0.028 0.000 0.999 1012 S CB -0.279 62.915 63.200 -0.009 0.000 0.844 1012 S HN 0.278 nan 8.310 nan 0.000 0.459 1013 D N 1.167 121.598 120.400 0.051 0.000 2.117 1013 D HA -0.095 4.553 4.640 0.012 0.000 0.197 1013 D C 1.981 178.345 176.300 0.107 0.000 0.987 1013 D CA 0.964 55.023 54.000 0.099 0.000 0.829 1013 D CB -0.349 40.488 40.800 0.062 0.000 0.961 1013 D HN 0.510 nan 8.370 nan 0.000 0.460 1014 E N 0.373 120.611 120.200 0.063 0.000 2.038 1014 E HA -0.137 4.220 4.350 0.012 0.000 0.195 1014 E C 2.423 179.055 176.600 0.054 0.000 1.000 1014 E CA 0.624 57.051 56.400 0.045 0.000 0.803 1014 E CB -0.098 29.618 29.700 0.028 0.000 0.750 1014 E HN 0.284 nan 8.360 nan 0.000 0.448 1015 I N 0.363 120.976 120.570 0.071 0.000 2.226 1015 I HA -0.257 3.920 4.170 0.012 0.000 0.245 1015 I C 2.328 178.516 176.117 0.118 0.000 1.100 1015 I CA 0.867 62.214 61.300 0.079 0.000 1.374 1015 I CB -0.220 37.831 38.000 0.084 0.000 1.057 1015 I HN 0.094 nan 8.210 nan 0.000 0.413 1016 F N 1.815 121.761 119.950 -0.008 0.000 2.186 1016 F HA -0.130 4.405 4.527 0.012 0.000 0.299 1016 F C 2.434 178.233 175.800 -0.002 0.000 1.090 1016 F CA 1.029 59.023 58.000 -0.010 0.000 1.307 1016 F CB -0.451 38.534 39.000 -0.025 0.000 1.019 1016 F HN -0.010 nan 8.300 nan 0.000 0.489 1017 A N 0.446 123.234 122.820 -0.053 0.000 1.877 1017 A HA -0.080 4.247 4.320 0.012 0.000 0.216 1017 A C 2.456 179.944 177.584 -0.159 0.000 1.186 1017 A CA 1.983 53.934 52.037 -0.144 0.000 0.620 1017 A CB -1.567 17.416 19.000 -0.028 0.000 0.822 1017 A HN 0.463 nan 8.150 nan 0.000 0.443 1018 A N -0.277 122.493 122.820 -0.083 0.000 1.930 1018 A HA 0.201 4.529 4.320 0.012 0.000 0.217 1018 A C 2.493 180.023 177.584 -0.090 0.000 1.175 1018 A CA 1.953 53.951 52.037 -0.066 0.000 0.627 1018 A CB -0.994 17.991 19.000 -0.024 0.000 0.815 1018 A HN 1.086 nan 8.150 nan 0.000 0.443 1019 A N -0.442 122.316 122.820 -0.105 0.000 1.940 1019 A HA -0.247 4.080 4.320 0.012 0.000 0.219 1019 A C 2.048 179.535 177.584 -0.162 0.000 1.176 1019 A CA 1.661 53.640 52.037 -0.096 0.000 0.631 1019 A CB -0.625 18.357 19.000 -0.031 0.000 0.814 1019 A HN 0.663 nan 8.150 nan 0.000 0.446 1020 Q N -0.950 118.667 119.800 -0.305 0.000 2.364 1020 Q HA -0.149 4.199 4.340 0.012 0.000 0.209 1020 Q C 1.943 177.854 176.000 -0.147 0.000 0.977 1020 Q CA 1.462 57.098 55.803 -0.278 0.000 0.885 1020 Q CB -0.123 28.379 28.738 -0.394 0.000 0.941 1020 Q HN 0.738 nan 8.270 nan 0.000 0.464 1021 K N 0.434 120.765 120.400 -0.116 0.000 2.356 1021 K HA 0.022 4.349 4.320 0.012 0.000 0.195 1021 K C 1.499 178.070 176.600 -0.049 0.000 1.037 1021 K CA 0.223 56.468 56.287 -0.071 0.000 1.014 1021 K CB 0.404 32.869 32.500 -0.059 0.000 0.815 1021 K HN 0.154 nan 8.250 nan 0.000 0.507 1022 L N -0.071 121.122 121.223 -0.049 0.000 2.425 1022 L HA 0.276 4.623 4.340 0.012 0.000 0.215 1022 L C 0.688 177.545 176.870 -0.021 0.000 1.065 1022 L CA 0.040 54.863 54.840 -0.028 0.000 0.842 1022 L CB 0.265 42.312 42.059 -0.020 0.000 1.033 1022 L HN 0.055 nan 8.230 nan 0.000 0.474 1023 M N -0.654 118.928 119.600 -0.029 0.000 2.518 1023 M HA 0.422 4.910 4.480 0.012 0.000 0.300 1023 M C -2.609 173.679 176.300 -0.021 0.000 1.175 1023 M CA -1.907 53.384 55.300 -0.014 0.000 0.890 1023 M CB 2.048 34.650 32.600 0.003 0.000 1.710 1023 M HN -0.390 nan 8.290 nan 0.000 0.453 1024 P HA 0.057 nan 4.420 nan 0.000 0.258 1024 P C 0.789 178.093 177.300 0.007 0.000 1.187 1024 P CA 1.187 64.284 63.100 -0.006 0.000 0.767 1024 P CB 0.159 31.858 31.700 -0.003 0.000 0.770 1025 G N 3.610 112.409 108.800 -0.003 0.000 2.166 1025 G HA2 -0.210 3.757 3.960 0.012 0.000 0.260 1025 G HA3 -0.210 3.757 3.960 0.012 0.000 0.260 1025 G C 0.898 175.813 174.900 0.026 0.000 0.986 1025 G CA 0.496 45.616 45.100 0.033 0.000 0.683 1025 G HN 1.008 nan 8.290 nan 0.000 0.527 1026 G N -2.439 106.325 108.800 -0.060 0.000 2.225 1026 G HA2 0.129 4.096 3.960 0.012 0.000 0.267 1026 G HA3 0.129 4.096 3.960 0.012 0.000 0.267 1026 G C 0.755 175.735 174.900 0.133 0.000 1.024 1026 G CA 1.552 46.595 45.100 -0.094 0.000 0.784 1026 G HN 2.416 nan 8.290 nan 0.000 0.507 1027 V N -5.178 114.813 119.914 0.130 0.000 3.188 1027 V HA 0.876 5.003 4.120 0.012 0.000 0.305 1027 V C 0.753 176.890 176.094 0.072 0.000 1.232 1027 V CA 0.218 62.602 62.300 0.140 0.000 1.043 1027 V CB 1.425 33.354 31.823 0.176 0.000 1.068 1027 V HN 0.212 nan 8.190 nan 0.000 0.439 1028 S N 0.485 116.221 115.700 0.060 0.000 2.524 1028 S HA 0.285 4.763 4.470 0.012 0.000 0.216 1028 S C 0.669 175.277 174.600 0.013 0.000 0.987 1028 S CA 0.883 59.103 58.200 0.035 0.000 0.909 1028 S CB 0.051 63.276 63.200 0.040 0.000 0.781 1028 S HN 0.946 nan 8.310 nan 0.000 0.521 1029 S N 0.140 115.848 115.700 0.013 0.000 2.603 1029 S HA 0.404 4.881 4.470 0.012 0.000 0.274 1029 S C -2.320 172.262 174.600 -0.031 0.000 1.168 1029 S CA -1.392 56.788 58.200 -0.034 0.000 0.963 1029 S CB 1.353 64.511 63.200 -0.069 0.000 1.078 1029 S HN -0.169 nan 8.310 nan 0.000 0.477 1030 P HA -0.211 nan 4.420 nan 0.000 0.219 1030 P C 1.535 178.820 177.300 -0.024 0.000 1.159 1030 P CA 1.285 64.363 63.100 -0.037 0.000 0.944 1030 P CB 0.032 31.682 31.700 -0.083 0.000 0.792 1031 V N -0.110 119.740 119.914 -0.108 0.000 2.453 1031 V HA -0.297 3.831 4.120 0.012 0.000 0.252 1031 V C 2.172 178.311 176.094 0.075 0.000 1.068 1031 V CA 1.909 64.156 62.300 -0.088 0.000 1.070 1031 V CB -0.850 30.795 31.823 -0.297 0.000 0.664 1031 V HN 0.087 nan 8.190 nan 0.000 0.461 1032 R N 0.179 120.744 120.500 0.109 0.000 2.293 1032 R HA -0.030 4.317 4.340 0.012 0.000 0.219 1032 R C 2.095 178.545 176.300 0.251 0.000 1.091 1032 R CA 1.025 57.272 56.100 0.245 0.000 1.004 1032 R CB -0.500 29.900 30.300 0.167 0.000 0.865 1032 R HN 0.600 nan 8.270 nan 0.000 0.469 1033 A N 0.282 123.223 122.820 0.202 0.000 2.206 1033 A HA -0.037 4.290 4.320 0.012 0.000 0.211 1033 A C 0.437 178.172 177.584 0.252 0.000 1.158 1033 A CA 0.264 52.414 52.037 0.189 0.000 0.761 1033 A CB -0.316 18.817 19.000 0.222 0.000 0.801 1033 A HN 0.382 nan 8.150 nan 0.000 0.473 1034 F N -2.064 117.866 119.950 -0.034 0.000 2.935 1034 F HA -0.309 4.225 4.527 0.012 0.000 0.317 1034 F C 1.601 177.399 175.800 -0.003 0.000 0.699 1034 F CA 0.791 58.766 58.000 -0.042 0.000 1.127 1034 F CB -1.505 37.448 39.000 -0.079 0.000 1.491 1034 F HN 0.179 nan 8.300 nan 0.000 0.337 1035 K N 0.344 120.845 120.400 0.168 0.000 2.071 1035 K HA -0.240 4.087 4.320 0.012 0.000 0.217 1035 K C 1.962 178.617 176.600 0.093 0.000 1.054 1035 K CA 2.077 58.440 56.287 0.128 0.000 0.937 1035 K CB -0.862 31.701 32.500 0.104 0.000 0.719 1035 K HN 0.555 nan 8.250 nan 0.000 0.454 1036 S N -0.400 115.336 115.700 0.059 0.000 2.660 1036 S HA 0.119 4.596 4.470 0.012 0.000 0.227 1036 S C 0.998 175.621 174.600 0.039 0.000 0.948 1036 S CA -0.106 58.130 58.200 0.059 0.000 0.948 1036 S CB 0.673 63.917 63.200 0.073 0.000 0.779 1036 S HN 0.045 nan 8.310 nan 0.000 0.487 1037 V N -0.383 119.523 119.914 -0.012 0.000 3.329 1037 V HA 0.593 4.720 4.120 0.012 0.000 0.317 1037 V C 0.964 177.074 176.094 0.026 0.000 1.495 1037 V CA 0.556 62.807 62.300 -0.082 0.000 1.105 1037 V CB 0.362 31.904 31.823 -0.468 0.000 0.985 1037 V HN 0.675 nan 8.190 nan 0.000 0.475 1038 G N -0.362 108.507 108.800 0.115 0.000 3.345 1038 G HA2 0.182 4.149 3.960 0.012 0.000 0.199 1038 G HA3 0.182 4.149 3.960 0.012 0.000 0.199 1038 G C 1.318 176.333 174.900 0.193 0.000 1.057 1038 G CA 0.651 45.855 45.100 0.174 0.000 0.865 1038 G HN 1.600 nan 8.290 nan 0.000 0.449 1039 G N -0.371 108.577 108.800 0.246 0.000 2.176 1039 G HA2 -0.249 3.718 3.960 0.012 0.000 0.253 1039 G HA3 -0.249 3.718 3.960 0.012 0.000 0.253 1039 G C 0.282 175.238 174.900 0.094 0.000 0.979 1039 G CA 0.951 46.170 45.100 0.198 0.000 0.641 1039 G HN 1.003 nan 8.290 nan 0.000 0.530 1040 Q N 1.552 121.392 119.800 0.067 0.000 2.730 1040 Q HA 0.275 4.622 4.340 0.012 0.000 0.244 1040 Q C -2.310 173.348 176.000 -0.569 0.000 1.176 1040 Q CA -1.681 54.041 55.803 -0.134 0.000 1.024 1040 Q CB 1.796 30.550 28.738 0.027 0.000 1.215 1040 Q HN 0.429 nan 8.270 nan 0.000 0.542 1041 P HA 0.057 nan 4.420 nan 0.000 0.272 1041 P C -0.296 176.502 177.300 -0.837 0.000 1.230 1041 P CA 0.010 62.103 63.100 -1.679 0.000 0.788 1041 P CB 0.866 31.834 31.700 -1.220 0.000 0.949 1042 I N -1.212 119.018 120.570 -0.567 0.000 2.377 1042 I HA 0.412 4.589 4.170 0.012 0.000 0.293 1042 I C -0.238 175.880 176.117 0.002 0.000 0.987 1042 I CA -1.444 59.785 61.300 -0.119 0.000 1.185 1042 I CB 1.677 39.740 38.000 0.105 0.000 1.341 1042 I HN -0.077 nan 8.210 nan 0.000 0.455 1043 V N 6.505 126.454 119.914 0.059 0.000 2.408 1043 V HA 0.271 4.398 4.120 0.012 0.000 0.267 1043 V C 0.191 176.456 176.094 0.285 0.000 1.047 1043 V CA -0.060 62.310 62.300 0.117 0.000 0.937 1043 V CB 0.205 32.081 31.823 0.089 0.000 0.999 1043 V HN 0.526 nan 8.190 nan 0.000 0.472 1044 F N 2.723 122.648 119.950 -0.041 0.000 2.459 1044 F HA 0.125 4.659 4.527 0.012 0.000 0.346 1044 F C 1.271 177.079 175.800 0.014 0.000 1.128 1044 F CA -0.133 57.848 58.000 -0.032 0.000 1.268 1044 F CB 1.220 40.168 39.000 -0.087 0.000 1.161 1044 F HN 0.587 nan 8.300 nan 0.000 0.583 1045 D N 0.465 120.976 120.400 0.184 0.000 2.525 1045 D HA 0.095 4.742 4.640 0.012 0.000 0.248 1045 D C -0.117 176.238 176.300 0.092 0.000 1.000 1045 D CA 0.258 54.326 54.000 0.113 0.000 0.923 1045 D CB 0.539 41.382 40.800 0.072 0.000 1.101 1045 D HN 0.570 nan 8.370 nan 0.000 0.493 1046 R N -0.766 119.800 120.500 0.110 0.000 2.716 1046 R HA 0.574 4.921 4.340 0.012 0.000 0.271 1046 R C -1.628 174.775 176.300 0.172 0.000 1.028 1046 R CA -1.004 55.152 56.100 0.094 0.000 0.883 1046 R CB 1.374 31.670 30.300 -0.007 0.000 1.250 1046 R HN -0.058 nan 8.270 nan 0.000 0.465 1047 V N -1.904 118.083 119.914 0.122 0.000 3.007 1047 V HA 0.844 4.971 4.120 0.012 0.000 0.311 1047 V C -0.942 175.294 176.094 0.237 0.000 1.120 1047 V CA -0.874 61.461 62.300 0.059 0.000 0.980 1047 V CB 2.096 33.607 31.823 -0.520 0.000 1.033 1047 V HN 0.995 nan 8.190 nan 0.000 0.429 1048 K N 1.873 122.510 120.400 0.395 0.000 2.570 1048 K HA 0.410 4.737 4.320 0.012 0.000 0.256 1048 K C -0.726 176.034 176.600 0.266 0.000 0.939 1048 K CA -0.131 56.373 56.287 0.362 0.000 0.833 1048 K CB 1.779 34.509 32.500 0.383 0.000 1.318 1048 K HN 1.024 nan 8.250 nan 0.000 0.433 1049 D N 1.203 121.677 120.400 0.123 0.000 3.996 1049 D HA -0.295 4.352 4.640 0.012 0.000 0.140 1049 D C 0.411 176.566 176.300 -0.243 0.000 0.829 1049 D CA 2.145 56.100 54.000 -0.074 0.000 1.111 1049 D CB -1.006 39.727 40.800 -0.111 0.000 0.516 1049 D HN 0.645 nan 8.370 nan 0.000 0.517 1050 A N 0.227 122.636 122.820 -0.685 0.000 2.423 1050 A HA 0.371 4.698 4.320 0.012 0.000 0.246 1050 A C -0.138 176.913 177.584 -0.889 0.000 1.278 1050 A CA 0.060 51.499 52.037 -0.996 0.000 0.903 1050 A CB -0.068 17.956 19.000 -1.627 0.000 0.997 1050 A HN 0.348 nan 8.150 nan 0.000 0.510 1051 Y N -1.447 118.720 120.300 -0.222 0.000 2.587 1051 Y HA 0.700 5.257 4.550 0.012 0.000 0.337 1051 Y C 0.383 175.993 175.900 -0.485 0.000 1.065 1051 Y CA -0.920 56.899 58.100 -0.469 0.000 1.126 1051 Y CB 1.725 39.668 38.460 -0.860 0.000 1.279 1051 Y HN 0.116 nan 8.280 nan 0.000 0.489 1052 A N 1.259 123.760 122.820 -0.531 0.000 2.435 1052 A HA 0.684 5.011 4.320 0.012 0.000 0.304 1052 A C -1.953 175.239 177.584 -0.653 0.000 1.064 1052 A CA -0.646 51.022 52.037 -0.614 0.000 0.727 1052 A CB 1.312 19.687 19.000 -1.042 0.000 1.284 1052 A HN 0.756 nan 8.150 nan 0.000 0.415 1053 W N 1.450 122.525 121.300 -0.376 0.000 2.656 1053 W HA 0.277 4.944 4.660 0.012 0.000 0.327 1053 W C -0.834 175.567 176.519 -0.197 0.000 1.041 1053 W CA -0.525 56.696 57.345 -0.207 0.000 1.229 1053 W CB 1.892 31.267 29.460 -0.141 0.000 1.397 1053 W HN 0.744 nan 8.180 nan 0.000 0.479 1054 D N 0.700 121.187 120.400 0.145 0.000 2.362 1054 D HA -0.051 4.597 4.640 0.012 0.000 0.238 1054 D C 0.890 177.262 176.300 0.120 0.000 1.212 1054 D CA 0.228 54.324 54.000 0.159 0.000 0.902 1054 D CB 1.932 42.848 40.800 0.194 0.000 1.180 1054 D HN 0.125 nan 8.370 nan 0.000 0.445 1055 V N 1.422 121.396 119.914 0.100 0.000 3.510 1055 V HA -0.074 4.054 4.120 0.012 0.000 0.270 1055 V C 0.785 176.899 176.094 0.034 0.000 1.201 1055 V CA 1.266 63.606 62.300 0.067 0.000 1.166 1055 V CB -0.137 31.727 31.823 0.067 0.000 0.825 1055 V HN 0.413 nan 8.190 nan 0.000 0.484 1056 D N -0.311 120.104 120.400 0.025 0.000 2.369 1056 D HA 0.239 4.886 4.640 0.012 0.000 0.211 1056 D C 1.636 177.929 176.300 -0.011 0.000 1.077 1056 D CA 0.957 54.947 54.000 -0.017 0.000 0.842 1056 D CB 1.096 41.851 40.800 -0.074 0.000 0.947 1056 D HN 0.544 nan 8.370 nan 0.000 0.509 1057 G N 1.477 110.297 108.800 0.034 0.000 2.213 1057 G HA2 -0.257 3.710 3.960 0.012 0.000 0.236 1057 G HA3 -0.257 3.710 3.960 0.012 0.000 0.236 1057 G C 0.205 175.139 174.900 0.057 0.000 0.991 1057 G CA -0.351 44.782 45.100 0.056 0.000 0.629 1057 G HN 0.307 nan 8.290 nan 0.000 0.517 1058 N N 0.761 119.449 118.700 -0.020 0.000 2.492 1058 N HA 0.437 5.185 4.740 0.012 0.000 0.260 1058 N C 0.333 175.648 175.510 -0.325 0.000 1.215 1058 N CA 0.070 53.011 53.050 -0.181 0.000 0.923 1058 N CB 0.505 38.867 38.487 -0.209 0.000 1.092 1058 N HN 0.321 nan 8.380 nan 0.000 0.448 1059 R N 2.322 122.500 120.500 -0.535 0.000 2.514 1059 R HA 0.373 4.720 4.340 0.012 0.000 0.301 1059 R C -1.589 174.223 176.300 -0.814 0.000 0.962 1059 R CA -0.388 55.249 56.100 -0.771 0.000 0.882 1059 R CB 0.633 30.528 30.300 -0.676 0.000 1.143 1059 R HN 0.581 nan 8.270 nan 0.000 0.452 1060 Y N 2.519 122.528 120.300 -0.486 0.000 2.545 1060 Y HA 0.466 5.024 4.550 0.012 0.000 0.348 1060 Y C 0.288 176.085 175.900 -0.171 0.000 1.002 1060 Y CA -0.910 57.048 58.100 -0.237 0.000 1.039 1060 Y CB 1.867 40.254 38.460 -0.122 0.000 1.271 1060 Y HN 0.355 nan 8.280 nan 0.000 0.467 1061 I N 2.485 123.134 120.570 0.133 0.000 2.312 1061 I HA 0.114 4.291 4.170 0.012 0.000 0.291 1061 I C -0.460 175.646 176.117 -0.017 0.000 1.031 1061 I CA -0.222 61.109 61.300 0.052 0.000 1.293 1061 I CB 0.559 38.611 38.000 0.086 0.000 1.403 1061 I HN 0.544 nan 8.210 nan 0.000 0.484 1062 D N 5.973 126.301 120.400 -0.120 0.000 2.277 1062 D HA 0.116 4.763 4.640 0.012 0.000 0.249 1062 D C -0.367 175.902 176.300 -0.051 0.000 1.134 1062 D CA 0.135 54.169 54.000 0.056 0.000 0.863 1062 D CB 0.747 41.645 40.800 0.164 0.000 1.143 1062 D HN 0.311 nan 8.370 nan 0.000 0.458 1063 Y N 2.251 122.751 120.300 0.334 0.000 2.660 1063 Y HA 0.166 4.723 4.550 0.012 0.000 0.254 1063 Y C 1.479 177.491 175.900 0.187 0.000 1.176 1063 Y CA -0.203 58.053 58.100 0.261 0.000 1.195 1063 Y CB 0.805 39.412 38.460 0.245 0.000 1.190 1063 Y HN 0.285 nan 8.280 nan 0.000 0.535 1064 V N -1.387 118.681 119.914 0.257 0.000 3.085 1064 V HA 0.184 4.311 4.120 0.012 0.000 0.245 1064 V C 1.657 177.788 176.094 0.063 0.000 1.114 1064 V CA 0.867 63.181 62.300 0.024 0.000 1.108 1064 V CB -0.379 31.289 31.823 -0.258 0.000 0.798 1064 V HN 0.461 nan 8.190 nan 0.000 0.471 1065 G N 1.444 110.323 108.800 0.132 0.000 2.393 1065 G HA2 -0.368 3.599 3.960 0.012 0.000 0.299 1065 G HA3 -0.368 3.599 3.960 0.012 0.000 0.299 1065 G C 0.577 175.493 174.900 0.027 0.000 0.990 1065 G CA 1.296 46.418 45.100 0.037 0.000 1.118 1065 G HN 0.847 nan 8.290 nan 0.000 0.513 1066 T N -1.785 112.826 114.554 0.094 0.000 3.799 1066 T HA -0.305 4.053 4.350 0.012 0.000 0.358 1066 T C 1.107 175.892 174.700 0.142 0.000 0.759 1066 T CA 2.175 64.328 62.100 0.088 0.000 1.869 1066 T CB -1.790 67.205 68.868 0.212 0.000 1.837 1066 T HN 2.072 nan 8.240 nan 0.000 0.762 1067 W N -2.777 118.581 121.300 0.098 0.000 4.301 1067 W HA -0.139 4.528 4.660 0.012 0.000 0.360 1067 W C 1.309 177.612 176.519 -0.360 0.000 1.371 1067 W CA 0.747 58.106 57.345 0.023 0.000 0.781 1067 W CB -1.953 27.571 29.460 0.106 0.000 2.488 1067 W HN 1.267 nan 8.180 nan 0.000 1.350 1068 G N -4.177 104.279 108.800 -0.573 0.000 2.697 1068 G HA2 -0.252 3.715 3.960 0.012 0.000 0.200 1068 G HA3 -0.252 3.715 3.960 0.012 0.000 0.200 1068 G C -0.561 174.175 174.900 -0.273 0.000 1.106 1068 G CA -0.015 44.670 45.100 -0.692 0.000 0.748 1068 G HN 0.183 nan 8.290 nan 0.000 0.503 1069 P HA 0.098 nan 4.420 nan 0.000 0.216 1069 P C 1.558 178.826 177.300 -0.053 0.000 1.153 1069 P CA 2.332 65.410 63.100 -0.038 0.000 0.858 1069 P CB -0.112 31.602 31.700 0.024 0.000 0.789 1070 A N -0.951 121.821 122.820 -0.081 0.000 2.604 1070 A HA 0.047 4.374 4.320 0.012 0.000 0.248 1070 A C 1.597 179.102 177.584 -0.131 0.000 1.466 1070 A CA -0.062 51.893 52.037 -0.136 0.000 1.222 1070 A CB -1.972 16.816 19.000 -0.353 0.000 0.945 1070 A HN 0.191 nan 8.150 nan 0.000 0.600 1071 I N -1.330 119.199 120.570 -0.068 0.000 2.454 1071 I HA -0.234 3.943 4.170 0.012 0.000 0.254 1071 I C 1.476 177.584 176.117 -0.014 0.000 1.156 1071 I CA 1.377 62.664 61.300 -0.022 0.000 1.433 1071 I CB 0.115 38.125 38.000 0.017 0.000 1.082 1071 I HN 0.490 nan 8.210 nan 0.000 0.432 1072 C N 1.933 121.216 119.300 -0.028 0.000 2.626 1072 C HA 0.443 4.910 4.460 0.012 0.000 0.266 1072 C C 1.063 176.096 174.990 0.071 0.000 1.317 1072 C CA 0.390 59.408 59.018 -0.000 0.000 1.716 1072 C CB -1.860 25.828 27.740 -0.088 0.000 1.819 1072 C HN 0.773 nan 8.230 nan 0.000 0.578 1073 G N -0.275 108.514 108.800 -0.019 0.000 2.650 1073 G HA2 -0.064 3.903 3.960 0.012 0.000 0.686 1073 G HA3 -0.064 3.903 3.960 0.012 0.000 0.686 1073 G C -0.920 173.943 174.900 -0.061 0.000 1.205 1073 G CA -0.951 44.104 45.100 -0.076 0.000 0.781 1073 G HN 0.573 nan 8.290 nan 0.000 0.648 1074 H N 0.356 119.443 119.070 0.028 0.000 2.790 1074 H HA 0.445 5.008 4.556 0.012 0.000 0.358 1074 H C 1.413 176.781 175.328 0.067 0.000 1.103 1074 H CA 1.195 57.276 56.048 0.056 0.000 1.426 1074 H CB 1.036 30.835 29.762 0.063 0.000 1.424 1074 H HN 2.101 nan 8.280 nan 0.000 0.599 1075 A N 1.905 124.855 122.820 0.217 0.000 2.511 1075 A HA -0.266 4.061 4.320 0.012 0.000 0.297 1075 A C 0.321 177.970 177.584 0.108 0.000 1.476 1075 A CA 0.688 52.807 52.037 0.137 0.000 0.757 1075 A CB -2.175 16.890 19.000 0.109 0.000 1.072 1075 A HN 0.813 nan 8.150 nan 0.000 0.413 1076 H N 0.294 119.387 119.070 0.037 0.000 3.107 1076 H HA 0.115 4.678 4.556 0.012 0.000 0.301 1076 H C -1.078 174.255 175.328 0.009 0.000 0.981 1076 H CA -0.571 55.484 56.048 0.012 0.000 1.443 1076 H CB 0.657 30.415 29.762 -0.006 0.000 1.479 1076 H HN 0.213 nan 8.280 nan 0.000 0.564 1077 P HA -0.210 nan 4.420 nan 0.000 0.217 1077 P C 1.030 178.393 177.300 0.106 0.000 1.158 1077 P CA 1.840 64.920 63.100 -0.033 0.000 0.887 1077 P CB 0.256 31.875 31.700 -0.137 0.000 0.792 1078 E N -1.034 119.339 120.200 0.290 0.000 2.204 1078 E HA -0.085 4.272 4.350 0.012 0.000 0.194 1078 E C 1.880 178.553 176.600 0.123 0.000 0.989 1078 E CA 0.771 57.289 56.400 0.197 0.000 0.824 1078 E CB -0.347 29.471 29.700 0.198 0.000 0.756 1078 E HN 0.109 nan 8.360 nan 0.000 0.477 1079 V N 2.064 122.073 119.914 0.158 0.000 2.346 1079 V HA -0.200 3.928 4.120 0.012 0.000 0.244 1079 V C 2.417 178.540 176.094 0.048 0.000 1.037 1079 V CA 1.558 63.892 62.300 0.058 0.000 1.029 1079 V CB -0.521 31.329 31.823 0.046 0.000 0.663 1079 V HN 0.367 nan 8.190 nan 0.000 0.454 1080 I N -1.341 119.268 120.570 0.065 0.000 2.394 1080 I HA -0.154 4.023 4.170 0.012 0.000 0.251 1080 I C 2.344 178.476 176.117 0.026 0.000 1.136 1080 I CA 1.932 63.255 61.300 0.039 0.000 1.425 1080 I CB -0.556 37.466 38.000 0.036 0.000 1.079 1080 I HN 0.317 nan 8.210 nan 0.000 0.425 1081 E N 1.926 122.145 120.200 0.031 0.000 2.072 1081 E HA -0.200 4.157 4.350 0.012 0.000 0.191 1081 E C 2.309 178.917 176.600 0.014 0.000 0.985 1081 E CA 1.412 57.824 56.400 0.020 0.000 0.801 1081 E CB -0.016 29.697 29.700 0.023 0.000 0.750 1081 E HN 0.640 nan 8.360 nan 0.000 0.452 1082 A N 1.249 124.078 122.820 0.015 0.000 1.902 1082 A HA -0.146 4.181 4.320 0.012 0.000 0.217 1082 A C 2.295 179.876 177.584 -0.004 0.000 1.181 1082 A CA 1.062 53.101 52.037 0.003 0.000 0.623 1082 A CB -0.611 18.386 19.000 -0.005 0.000 0.818 1082 A HN 0.270 nan 8.150 nan 0.000 0.443 1083 L N -0.927 120.294 121.223 -0.004 0.000 2.056 1083 L HA -0.178 4.169 4.340 0.012 0.000 0.207 1083 L C 2.586 179.453 176.870 -0.005 0.000 1.078 1083 L CA 1.589 56.422 54.840 -0.010 0.000 0.749 1083 L CB -0.460 41.595 42.059 -0.007 0.000 0.901 1083 L HN 0.348 nan 8.230 nan 0.000 0.433 1084 K N -0.280 120.121 120.400 0.002 0.000 2.063 1084 K HA -0.171 4.156 4.320 0.012 0.000 0.208 1084 K C 2.030 178.633 176.600 0.005 0.000 1.048 1084 K CA 1.384 57.673 56.287 0.003 0.000 0.928 1084 K CB -0.242 32.261 32.500 0.005 0.000 0.713 1084 K HN 0.100 nan 8.250 nan 0.000 0.442 1085 V N 0.984 120.901 119.914 0.005 0.000 2.358 1085 V HA -0.217 3.911 4.120 0.012 0.000 0.246 1085 V C 2.281 178.382 176.094 0.011 0.000 1.047 1085 V CA 1.961 64.267 62.300 0.009 0.000 1.035 1085 V CB -0.528 31.301 31.823 0.009 0.000 0.658 1085 V HN 0.364 nan 8.190 nan 0.000 0.452 1086 A N 1.011 123.833 122.820 0.003 0.000 1.933 1086 A HA -0.232 4.095 4.320 0.012 0.000 0.218 1086 A C 2.235 179.822 177.584 0.005 0.000 1.175 1086 A CA 2.149 54.187 52.037 0.002 0.000 0.628 1086 A CB -0.533 18.452 19.000 -0.025 0.000 0.814 1086 A HN 0.677 nan 8.150 nan 0.000 0.444 1087 M N -1.711 117.887 119.600 -0.003 0.000 2.549 1087 M HA 0.018 4.505 4.480 0.012 0.000 0.260 1087 M C 1.341 177.655 176.300 0.024 0.000 1.076 1087 M CA 2.010 57.311 55.300 0.001 0.000 1.090 1087 M CB -0.506 32.092 32.600 -0.005 0.000 1.418 1087 M HN 0.220 nan 8.290 nan 0.000 0.486 1088 E N 1.856 122.073 120.200 0.028 0.000 2.204 1088 E HA -0.069 4.288 4.350 0.012 0.000 0.195 1088 E C 1.366 178.000 176.600 0.056 0.000 0.990 1088 E CA 1.169 57.590 56.400 0.034 0.000 0.821 1088 E CB 0.045 29.761 29.700 0.027 0.000 0.750 1088 E HN 0.573 nan 8.360 nan 0.000 0.477 1089 K N -0.710 119.739 120.400 0.081 0.000 2.444 1089 K HA 0.226 4.553 4.320 0.012 0.000 0.193 1089 K C 0.069 176.807 176.600 0.230 0.000 1.024 1089 K CA 0.388 56.760 56.287 0.142 0.000 1.077 1089 K CB 0.835 33.444 32.500 0.183 0.000 0.833 1089 K HN 0.173 nan 8.250 nan 0.000 0.517 1090 G N 0.664 109.552 108.800 0.148 0.000 2.617 1090 G HA2 -0.208 3.759 3.960 0.012 0.000 0.686 1090 G HA3 -0.208 3.759 3.960 0.012 0.000 0.686 1090 G C 0.349 175.261 174.900 0.019 0.000 1.214 1090 G CA -0.278 44.914 45.100 0.154 0.000 0.796 1090 G HN 0.069 nan 8.290 nan 0.000 0.654 1091 T N -2.711 111.825 114.554 -0.030 0.000 3.037 1091 T HA 0.611 4.968 4.350 0.012 0.000 0.251 1091 T C 0.999 175.571 174.700 -0.214 0.000 1.079 1091 T CA 1.256 63.285 62.100 -0.119 0.000 1.067 1091 T CB 0.477 69.310 68.868 -0.059 0.000 0.948 1091 T HN 1.868 nan 8.240 nan 0.000 0.496 1092 S N -0.681 114.914 115.700 -0.175 0.000 2.566 1092 S HA 0.607 5.084 4.470 0.012 0.000 0.273 1092 S C -0.947 173.687 174.600 0.056 0.000 1.157 1092 S CA -0.762 57.336 58.200 -0.170 0.000 0.938 1092 S CB 0.772 63.942 63.200 -0.050 0.000 1.087 1092 S HN 0.059 nan 8.310 nan 0.000 0.474 1093 F N 2.378 122.330 119.950 0.004 0.000 2.553 1093 F HA 0.407 4.941 4.527 0.011 0.000 0.282 1093 F C 2.232 178.039 175.800 0.012 0.000 1.089 1093 F CA 0.475 58.479 58.000 0.007 0.000 1.411 1093 F CB -0.728 38.275 39.000 0.004 0.000 1.125 1093 F HN 0.935 nan 8.300 nan 0.000 0.610 1094 G N 0.561 109.480 108.800 0.199 0.000 2.148 1094 G HA2 0.034 4.002 3.960 0.012 0.000 0.254 1094 G HA3 0.034 4.002 3.960 0.012 0.000 0.254 1094 G C 0.170 175.143 174.900 0.121 0.000 0.981 1094 G CA 0.274 45.448 45.100 0.123 0.000 0.670 1094 G HN 0.800 nan 8.290 nan 0.000 0.528 1095 A N -0.888 122.032 122.820 0.167 0.000 2.594 1095 A HA 0.917 5.244 4.320 0.012 0.000 0.291 1095 A C -2.709 174.971 177.584 0.160 0.000 1.105 1095 A CA -1.028 51.085 52.037 0.126 0.000 0.694 1095 A CB 0.979 20.030 19.000 0.084 0.000 1.291 1095 A HN 0.139 nan 8.150 nan 0.000 0.410 1096 P HA 0.386 nan 4.420 nan 0.000 0.268 1096 P C -0.399 177.001 177.300 0.167 0.000 1.208 1096 P CA -0.013 63.157 63.100 0.116 0.000 0.777 1096 P CB 0.195 31.941 31.700 0.076 0.000 0.875 1097 C N -0.537 118.865 119.300 0.171 0.000 2.994 1097 C HA 0.803 5.270 4.460 0.012 0.000 0.305 1097 C C 1.580 176.641 174.990 0.119 0.000 1.251 1097 C CA -0.121 59.026 59.018 0.215 0.000 1.478 1097 C CB 1.015 28.972 27.740 0.362 0.000 1.922 1097 C HN 0.657 nan 8.230 nan 0.000 0.472 1098 A N 1.299 124.180 122.820 0.103 0.000 1.978 1098 A HA -0.041 4.287 4.320 0.012 0.000 0.220 1098 A C 1.919 179.533 177.584 0.049 0.000 1.170 1098 A CA 1.906 53.983 52.037 0.066 0.000 0.636 1098 A CB -0.691 18.343 19.000 0.056 0.000 0.810 1098 A HN 0.966 nan 8.150 nan 0.000 0.448 1099 L N -0.898 120.348 121.223 0.037 0.000 2.187 1099 L HA -0.224 4.124 4.340 0.012 0.000 0.213 1099 L C 2.473 179.324 176.870 -0.033 0.000 1.100 1099 L CA 1.565 56.398 54.840 -0.011 0.000 0.765 1099 L CB -0.653 41.376 42.059 -0.050 0.000 0.904 1099 L HN 0.495 nan 8.230 nan 0.000 0.437 1100 E N 0.147 120.342 120.200 -0.008 0.000 2.110 1100 E HA -0.202 4.155 4.350 0.012 0.000 0.193 1100 E C 1.883 178.571 176.600 0.146 0.000 0.988 1100 E CA 1.232 57.651 56.400 0.032 0.000 0.804 1100 E CB -0.039 29.718 29.700 0.095 0.000 0.745 1100 E HN 0.462 nan 8.360 nan 0.000 0.458 1101 N N 0.033 118.793 118.700 0.100 0.000 2.120 1101 N HA -0.132 4.615 4.740 0.012 0.000 0.188 1101 N C 1.779 177.344 175.510 0.092 0.000 1.024 1101 N CA 0.850 53.956 53.050 0.095 0.000 0.852 1101 N CB -0.293 38.232 38.487 0.063 0.000 1.003 1101 N HN -0.033 nan 8.380 nan 0.000 0.424 1102 V N 1.166 121.119 119.914 0.064 0.000 2.237 1102 V HA -0.173 3.954 4.120 0.012 0.000 0.245 1102 V C 2.329 178.468 176.094 0.075 0.000 1.046 1102 V CA 1.295 63.627 62.300 0.053 0.000 1.007 1102 V CB -0.614 31.224 31.823 0.024 0.000 0.638 1102 V HN 0.342 nan 8.190 nan 0.000 0.445 1103 L N -0.186 121.073 121.223 0.061 0.000 2.083 1103 L HA -0.179 4.168 4.340 0.012 0.000 0.209 1103 L C 2.621 179.673 176.870 0.303 0.000 1.083 1103 L CA 1.894 56.793 54.840 0.097 0.000 0.752 1103 L CB -0.656 41.343 42.059 -0.100 0.000 0.899 1103 L HN 0.417 nan 8.230 nan 0.000 0.433 1104 A N -0.423 122.637 122.820 0.401 0.000 1.883 1104 A HA -0.299 4.029 4.320 0.012 0.000 0.217 1104 A C 2.161 179.818 177.584 0.121 0.000 1.186 1104 A CA 1.986 54.186 52.037 0.272 0.000 0.624 1104 A CB -0.581 18.526 19.000 0.179 0.000 0.822 1104 A HN 0.538 nan 8.150 nan 0.000 0.444 1105 E N -0.746 119.520 120.200 0.110 0.000 2.077 1105 E HA -0.182 4.175 4.350 0.012 0.000 0.193 1105 E C 2.110 178.769 176.600 0.098 0.000 0.989 1105 E CA 1.379 57.827 56.400 0.079 0.000 0.800 1105 E CB -0.189 29.553 29.700 0.069 0.000 0.746 1105 E HN 0.673 nan 8.360 nan 0.000 0.452 1106 M N -0.117 119.555 119.600 0.120 0.000 2.117 1106 M HA -0.171 4.316 4.480 0.012 0.000 0.262 1106 M C 2.312 178.712 176.300 0.167 0.000 1.065 1106 M CA 1.044 56.433 55.300 0.148 0.000 1.114 1106 M CB -0.070 32.609 32.600 0.132 0.000 1.361 1106 M HN 0.074 nan 8.290 nan 0.000 0.408 1107 V N 0.822 120.832 119.914 0.161 0.000 2.358 1107 V HA -0.239 3.889 4.120 0.012 0.000 0.246 1107 V C 2.035 178.183 176.094 0.089 0.000 1.047 1107 V CA 1.596 64.001 62.300 0.175 0.000 1.035 1107 V CB -0.830 31.096 31.823 0.173 0.000 0.658 1107 V HN 0.467 nan 8.190 nan 0.000 0.452 1108 N N 0.413 119.143 118.700 0.050 0.000 2.120 1108 N HA -0.165 4.582 4.740 0.012 0.000 0.188 1108 N C 1.554 177.085 175.510 0.036 0.000 1.024 1108 N CA 1.685 54.744 53.050 0.014 0.000 0.852 1108 N CB -0.414 38.073 38.487 0.001 0.000 1.003 1108 N HN 0.468 nan 8.380 nan 0.000 0.424 1109 D N 0.701 121.147 120.400 0.076 0.000 2.144 1109 D HA -0.028 4.619 4.640 0.012 0.000 0.200 1109 D C 1.757 178.135 176.300 0.130 0.000 0.978 1109 D CA 0.838 54.899 54.000 0.100 0.000 0.833 1109 D CB -0.148 40.731 40.800 0.132 0.000 0.961 1109 D HN 0.237 nan 8.370 nan 0.000 0.470 1110 A N 0.352 123.256 122.820 0.139 0.000 1.930 1110 A HA 0.022 4.350 4.320 0.012 0.000 0.215 1110 A C 1.175 178.710 177.584 -0.082 0.000 1.176 1110 A CA 0.461 52.540 52.037 0.070 0.000 0.632 1110 A CB 0.124 19.028 19.000 -0.160 0.000 0.819 1110 A HN 0.087 nan 8.150 nan 0.000 0.445 1111 V N 0.960 120.818 119.914 -0.094 0.000 2.333 1111 V HA 0.196 4.324 4.120 0.012 0.000 0.274 1111 V C -1.677 174.372 176.094 -0.076 0.000 1.028 1111 V CA -1.222 60.998 62.300 -0.134 0.000 0.851 1111 V CB 1.107 32.837 31.823 -0.154 0.000 1.000 1111 V HN 0.177 nan 8.190 nan 0.000 0.456 1112 P HA -0.266 nan 4.420 nan 0.000 0.216 1112 P C 1.962 179.221 177.300 -0.069 0.000 1.167 1112 P CA 2.306 65.374 63.100 -0.054 0.000 0.933 1112 P CB 0.073 31.740 31.700 -0.054 0.000 0.793 1113 S N -1.218 114.425 115.700 -0.095 0.000 2.442 1113 S HA -0.103 4.374 4.470 0.012 0.000 0.236 1113 S C 0.953 175.497 174.600 -0.094 0.000 1.007 1113 S CA 0.666 58.800 58.200 -0.111 0.000 0.965 1113 S CB -1.347 61.762 63.200 -0.152 0.000 0.773 1113 S HN 0.047 nan 8.310 nan 0.000 0.504 1114 I N 2.136 122.657 120.570 -0.082 0.000 2.379 1114 I HA 0.200 4.377 4.170 0.012 0.000 0.290 1114 I C 0.923 176.998 176.117 -0.070 0.000 1.063 1114 I CA -0.047 61.205 61.300 -0.080 0.000 1.351 1114 I CB 0.940 38.894 38.000 -0.077 0.000 1.410 1114 I HN 0.303 nan 8.210 nan 0.000 0.505 1115 E N 5.349 125.502 120.200 -0.078 0.000 2.434 1115 E HA 0.239 4.596 4.350 0.012 0.000 0.207 1115 E C 0.105 176.659 176.600 -0.077 0.000 0.929 1115 E CA 0.183 56.544 56.400 -0.065 0.000 1.001 1115 E CB 1.144 30.808 29.700 -0.060 0.000 1.016 1115 E HN 0.563 nan 8.360 nan 0.000 0.502 1116 M N 1.630 121.166 119.600 -0.107 0.000 2.371 1116 M HA 0.302 4.789 4.480 0.012 0.000 0.287 1116 M C -1.942 174.229 176.300 -0.214 0.000 1.149 1116 M CA -0.770 54.448 55.300 -0.137 0.000 0.929 1116 M CB 2.191 34.721 32.600 -0.116 0.000 1.683 1116 M HN -0.189 nan 8.290 nan 0.000 0.470 1117 V N 1.664 121.402 119.914 -0.294 0.000 2.864 1117 V HA 0.839 4.966 4.120 0.012 0.000 0.314 1117 V C -1.026 174.701 176.094 -0.612 0.000 1.073 1117 V CA -0.849 61.164 62.300 -0.478 0.000 0.956 1117 V CB 1.755 33.214 31.823 -0.606 0.000 1.023 1117 V HN 0.910 nan 8.190 nan 0.000 0.435 1118 R N 1.849 121.870 120.500 -0.798 0.000 2.502 1118 R HA 0.598 4.945 4.340 0.012 0.000 0.300 1118 R C -1.657 174.278 176.300 -0.608 0.000 0.984 1118 R CA -0.849 54.821 56.100 -0.717 0.000 0.882 1118 R CB 0.824 30.572 30.300 -0.921 0.000 1.180 1118 R HN 0.616 nan 8.270 nan 0.000 0.444 1119 F N 4.322 124.184 119.950 -0.146 0.000 2.389 1119 F HA 0.479 5.012 4.527 0.010 0.000 0.337 1119 F C 0.965 176.765 175.800 0.000 0.000 1.112 1119 F CA -0.016 57.951 58.000 -0.055 0.000 1.192 1119 F CB 1.261 40.237 39.000 -0.040 0.000 1.185 1119 F HN 0.388 nan 8.300 nan 0.000 0.552 1120 V N -0.385 119.681 119.914 0.254 0.000 3.087 1120 V HA 0.497 4.624 4.120 0.012 0.000 0.311 1120 V C -0.501 175.681 176.094 0.146 0.000 1.333 1120 V CA -0.928 61.482 62.300 0.184 0.000 1.054 1120 V CB 1.851 33.795 31.823 0.202 0.000 1.123 1120 V HN 0.668 nan 8.190 nan 0.000 0.473 1121 N N 0.540 119.305 118.700 0.108 0.000 2.205 1121 N HA 0.388 5.135 4.740 0.012 0.000 0.201 1121 N C -0.004 175.556 175.510 0.084 0.000 1.128 1121 N CA 0.604 53.703 53.050 0.082 0.000 0.867 1121 N CB 0.573 39.098 38.487 0.064 0.000 0.996 1121 N HN 0.968 nan 8.380 nan 0.000 0.503 1122 S N -2.887 112.869 115.700 0.094 0.000 2.611 1122 S HA 0.481 4.958 4.470 0.012 0.000 0.268 1122 S C 0.822 175.475 174.600 0.088 0.000 1.156 1122 S CA -0.591 57.663 58.200 0.091 0.000 0.817 1122 S CB 0.821 64.074 63.200 0.089 0.000 1.122 1122 S HN -0.026 nan 8.310 nan 0.000 0.466 1123 G N 0.665 109.515 108.800 0.082 0.000 2.408 1123 G HA2 -0.015 3.952 3.960 0.012 0.000 0.217 1123 G HA3 -0.015 3.952 3.960 0.012 0.000 0.217 1123 G C 1.069 175.980 174.900 0.019 0.000 1.150 1123 G CA 1.483 46.620 45.100 0.062 0.000 0.776 1123 G HN 0.774 nan 8.290 nan 0.000 0.542 1124 T N 0.931 115.492 114.554 0.011 0.000 2.684 1124 T HA -0.090 4.267 4.350 0.012 0.000 0.267 1124 T C 2.210 176.883 174.700 -0.045 0.000 1.036 1124 T CA 1.569 63.638 62.100 -0.053 0.000 1.148 1124 T CB -0.174 68.640 68.868 -0.091 0.000 0.863 1124 T HN 0.471 nan 8.240 nan 0.000 0.436 1125 E N 0.888 121.083 120.200 -0.008 0.000 2.106 1125 E HA -0.052 4.305 4.350 0.012 0.000 0.192 1125 E C 2.576 179.169 176.600 -0.013 0.000 0.984 1125 E CA 0.920 57.318 56.400 -0.005 0.000 0.806 1125 E CB -0.204 29.521 29.700 0.042 0.000 0.750 1125 E HN 0.473 nan 8.360 nan 0.000 0.458 1126 A N 0.962 123.806 122.820 0.040 0.000 1.877 1126 A HA -0.198 4.129 4.320 0.012 0.000 0.216 1126 A C 2.458 180.003 177.584 -0.064 0.000 1.186 1126 A CA 1.293 53.360 52.037 0.051 0.000 0.620 1126 A CB -0.880 18.205 19.000 0.142 0.000 0.822 1126 A HN 0.354 nan 8.150 nan 0.000 0.443 1127 C N -1.240 118.057 119.300 -0.006 0.000 2.446 1127 C HA -0.080 4.387 4.460 0.012 0.000 0.277 1127 C C 2.776 177.874 174.990 0.180 0.000 1.275 1127 C CA 1.316 60.368 59.018 0.057 0.000 1.727 1127 C CB -1.185 26.533 27.740 -0.036 0.000 2.010 1127 C HN 0.756 nan 8.230 nan 0.000 0.486 1128 M N 1.409 121.058 119.600 0.081 0.000 2.080 1128 M HA -0.157 4.330 4.480 0.012 0.000 0.260 1128 M C 2.291 178.500 176.300 -0.151 0.000 1.068 1128 M CA 2.292 57.573 55.300 -0.032 0.000 1.109 1128 M CB -0.300 32.254 32.600 -0.077 0.000 1.342 1128 M HN 0.344 nan 8.290 nan 0.000 0.405 1129 A N -0.746 121.911 122.820 -0.272 0.000 1.898 1129 A HA -0.128 4.199 4.320 0.012 0.000 0.216 1129 A C 2.124 179.397 177.584 -0.518 0.000 1.181 1129 A CA 1.710 53.452 52.037 -0.493 0.000 0.620 1129 A CB -1.254 17.178 19.000 -0.947 0.000 0.819 1129 A HN 0.437 nan 8.150 nan 0.000 0.442 1130 V N -0.106 119.528 119.914 -0.467 0.000 2.490 1130 V HA -0.172 3.955 4.120 0.012 0.000 0.250 1130 V C 2.323 178.358 176.094 -0.098 0.000 1.061 1130 V CA 1.717 63.874 62.300 -0.239 0.000 1.064 1130 V CB -0.319 31.447 31.823 -0.095 0.000 0.670 1130 V HN 0.601 nan 8.190 nan 0.000 0.461 1131 L N -0.450 120.733 121.223 -0.067 0.000 2.056 1131 L HA -0.183 4.164 4.340 0.012 0.000 0.207 1131 L C 2.696 179.503 176.870 -0.105 0.000 1.078 1131 L CA 2.144 56.938 54.840 -0.077 0.000 0.749 1131 L CB -0.387 41.531 42.059 -0.235 0.000 0.901 1131 L HN 0.310 nan 8.230 nan 0.000 0.433 1132 R N 0.509 120.933 120.500 -0.126 0.000 2.075 1132 R HA -0.153 4.194 4.340 0.012 0.000 0.232 1132 R C 2.211 178.486 176.300 -0.042 0.000 1.126 1132 R CA 1.528 57.573 56.100 -0.091 0.000 0.963 1132 R CB -0.192 30.052 30.300 -0.094 0.000 0.858 1132 R HN 0.486 nan 8.270 nan 0.000 0.435 1133 I N -2.063 118.483 120.570 -0.040 0.000 2.761 1133 I HA -0.112 4.065 4.170 0.012 0.000 0.261 1133 I C 2.086 178.245 176.117 0.069 0.000 1.198 1133 I CA 0.754 62.073 61.300 0.032 0.000 1.482 1133 I CB -0.378 37.654 38.000 0.053 0.000 1.100 1133 I HN 0.129 nan 8.210 nan 0.000 0.445 1134 M N 1.088 120.706 119.600 0.030 0.000 2.080 1134 M HA -0.176 4.311 4.480 0.012 0.000 0.260 1134 M C 2.634 178.981 176.300 0.079 0.000 1.068 1134 M CA 2.099 57.434 55.300 0.058 0.000 1.109 1134 M CB -0.347 32.266 32.600 0.022 0.000 1.342 1134 M HN 0.209 nan 8.290 nan 0.000 0.405 1135 R N -0.338 120.178 120.500 0.028 0.000 2.073 1135 R HA -0.001 4.347 4.340 0.012 0.000 0.229 1135 R C 2.351 178.667 176.300 0.027 0.000 1.120 1135 R CA 1.260 57.367 56.100 0.012 0.000 0.967 1135 R CB -0.522 29.762 30.300 -0.027 0.000 0.862 1135 R HN 0.359 nan 8.270 nan 0.000 0.436 1136 A N 0.771 123.616 122.820 0.041 0.000 1.883 1136 A HA -0.244 4.084 4.320 0.012 0.000 0.217 1136 A C 2.025 179.651 177.584 0.070 0.000 1.186 1136 A CA 1.388 53.454 52.037 0.048 0.000 0.624 1136 A CB -0.789 18.248 19.000 0.061 0.000 0.822 1136 A HN 0.442 nan 8.150 nan 0.000 0.444 1137 Y N 1.452 121.751 120.300 -0.001 0.000 2.200 1137 Y HA -0.172 4.385 4.550 0.011 0.000 0.290 1137 Y C 2.822 178.725 175.900 0.004 0.000 1.137 1137 Y CA 2.398 60.501 58.100 0.004 0.000 1.163 1137 Y CB -0.316 38.148 38.460 0.007 0.000 0.988 1137 Y HN 0.438 nan 8.280 nan 0.000 0.518 1138 T N -3.888 110.679 114.554 0.021 0.000 3.057 1138 T HA 0.238 4.596 4.350 0.012 0.000 0.254 1138 T C 1.702 176.363 174.700 -0.064 0.000 1.094 1138 T CA 0.577 62.650 62.100 -0.044 0.000 1.088 1138 T CB -0.409 68.502 68.868 0.072 0.000 0.934 1138 T HN 0.622 nan 8.240 nan 0.000 0.497 1139 G N 1.750 110.523 108.800 -0.045 0.000 2.153 1139 G HA2 -0.255 3.712 3.960 0.012 0.000 0.252 1139 G HA3 -0.255 3.712 3.960 0.012 0.000 0.252 1139 G C 0.044 174.927 174.900 -0.029 0.000 0.994 1139 G CA 0.101 45.176 45.100 -0.042 0.000 0.698 1139 G HN 0.722 nan 8.290 nan 0.000 0.521 1140 R N -0.574 119.915 120.500 -0.019 0.000 2.732 1140 R HA 0.562 4.909 4.340 0.012 0.000 0.278 1140 R C 0.003 176.283 176.300 -0.034 0.000 0.976 1140 R CA -0.727 55.358 56.100 -0.024 0.000 0.963 1140 R CB 1.069 31.360 30.300 -0.015 0.000 1.150 1140 R HN 0.031 nan 8.270 nan 0.000 0.478 1141 D N 0.833 121.204 120.400 -0.047 0.000 2.388 1141 D HA 0.025 4.672 4.640 0.012 0.000 0.208 1141 D C -0.244 176.009 176.300 -0.078 0.000 1.035 1141 D CA 0.709 54.673 54.000 -0.060 0.000 0.875 1141 D CB 0.579 41.345 40.800 -0.057 0.000 0.984 1141 D HN 0.239 nan 8.370 nan 0.000 0.508 1142 K N 1.033 121.380 120.400 -0.089 0.000 2.249 1142 K HA 0.309 4.636 4.320 0.012 0.000 0.280 1142 K C -0.106 176.417 176.600 -0.127 0.000 1.033 1142 K CA -0.217 56.000 56.287 -0.116 0.000 0.946 1142 K CB 1.792 34.208 32.500 -0.140 0.000 1.005 1142 K HN -0.133 nan 8.250 nan 0.000 0.469 1143 I N 3.609 124.103 120.570 -0.126 0.000 2.608 1143 I HA 0.373 4.550 4.170 0.012 0.000 0.295 1143 I C -0.118 175.919 176.117 -0.134 0.000 1.049 1143 I CA -0.810 60.425 61.300 -0.109 0.000 1.063 1143 I CB 1.815 39.770 38.000 -0.075 0.000 1.248 1143 I HN 0.534 nan 8.210 nan 0.000 0.424 1144 I N 5.495 125.977 120.570 -0.147 0.000 2.339 1144 I HA 0.312 4.490 4.170 0.012 0.000 0.290 1144 I C -0.085 175.896 176.117 -0.227 0.000 0.994 1144 I CA -0.558 60.611 61.300 -0.219 0.000 1.191 1144 I CB 1.333 39.177 38.000 -0.261 0.000 1.343 1144 I HN 0.555 nan 8.210 nan 0.000 0.458 1145 K N 5.514 125.768 120.400 -0.242 0.000 2.400 1145 K HA 0.665 4.992 4.320 0.012 0.000 0.246 1145 K C -1.568 174.848 176.600 -0.306 0.000 0.995 1145 K CA -0.708 55.502 56.287 -0.128 0.000 0.840 1145 K CB 1.928 34.518 32.500 0.149 0.000 1.293 1145 K HN 0.177 nan 8.250 nan 0.000 0.445 1146 F N 1.092 121.181 119.950 0.230 0.000 2.425 1146 F HA 0.293 4.828 4.527 0.012 0.000 0.331 1146 F C 0.310 176.182 175.800 0.120 0.000 1.085 1146 F CA -0.752 57.375 58.000 0.212 0.000 1.028 1146 F CB 1.539 40.752 39.000 0.354 0.000 1.177 1146 F HN 0.507 nan 8.300 nan 0.000 0.487 1147 E N 0.735 121.095 120.200 0.265 0.000 2.414 1147 E HA 0.306 4.663 4.350 0.012 0.000 0.263 1147 E C 0.921 177.507 176.600 -0.023 0.000 1.000 1147 E CA 0.998 57.458 56.400 0.100 0.000 0.914 1147 E CB 0.397 30.203 29.700 0.176 0.000 0.948 1147 E HN 0.910 nan 8.360 nan 0.000 0.444 1148 G N 2.243 110.819 108.800 -0.372 0.000 2.299 1148 G HA2 -0.320 3.647 3.960 0.012 0.000 0.237 1148 G HA3 -0.320 3.647 3.960 0.012 0.000 0.237 1148 G C 0.433 175.159 174.900 -0.290 0.000 1.027 1148 G CA -0.044 44.715 45.100 -0.569 0.000 0.619 1148 G HN 0.625 nan 8.290 nan 0.000 0.513 1149 C N 0.567 119.780 119.300 -0.144 0.000 2.605 1149 C HA 0.611 5.078 4.460 0.012 0.000 0.404 1149 C C 0.190 174.997 174.990 -0.305 0.000 1.284 1149 C CA -0.065 58.836 59.018 -0.194 0.000 2.199 1149 C CB 0.080 27.802 27.740 -0.030 0.000 2.647 1149 C HN 0.439 nan 8.230 nan 0.000 0.604 1150 Y N 1.476 121.415 120.300 -0.601 0.000 2.361 1150 Y HA 0.430 4.988 4.550 0.013 0.000 0.337 1150 Y C 0.009 175.469 175.900 -0.733 0.000 0.965 1150 Y CA -0.623 57.159 58.100 -0.529 0.000 1.091 1150 Y CB 0.595 38.887 38.460 -0.280 0.000 1.182 1150 Y HN 0.863 nan 8.280 nan 0.000 0.450 1151 H N 4.016 122.551 119.070 -0.891 0.000 2.587 1151 H HA 0.546 5.109 4.556 0.012 0.000 0.245 1151 H C 0.550 175.331 175.328 -0.911 0.000 1.238 1151 H CA -0.135 55.340 56.048 -0.955 0.000 0.963 1151 H CB 0.460 29.373 29.762 -1.415 0.000 1.904 1151 H HN 1.013 nan 8.280 nan 0.000 0.584 1152 G N 1.355 109.417 108.800 -1.229 0.000 2.728 1152 G HA2 -0.265 3.702 3.960 0.012 0.000 0.294 1152 G HA3 -0.265 3.702 3.960 0.012 0.000 0.294 1152 G C 0.145 174.902 174.900 -0.238 0.000 1.342 1152 G CA -0.281 44.476 45.100 -0.573 0.000 0.866 1152 G HN 0.670 nan 8.290 nan 0.000 0.534 1153 H N -0.370 118.719 119.070 0.031 0.000 2.507 1153 H HA 0.615 5.179 4.556 0.012 0.000 0.294 1153 H C 1.003 176.397 175.328 0.111 0.000 1.064 1153 H CA 0.687 56.810 56.048 0.125 0.000 1.138 1153 H CB -0.680 29.167 29.762 0.142 0.000 1.515 1153 H HN 1.327 nan 8.280 nan 0.000 0.547 1154 A N 1.419 124.226 122.820 -0.022 0.000 2.511 1154 A HA -0.036 4.292 4.320 0.012 0.000 0.242 1154 A C 0.683 178.248 177.584 -0.031 0.000 1.069 1154 A CA 0.051 52.047 52.037 -0.068 0.000 0.763 1154 A CB 0.281 19.229 19.000 -0.086 0.000 1.001 1154 A HN 0.321 nan 8.150 nan 0.000 0.498 1155 D N 1.843 122.210 120.400 -0.056 0.000 2.160 1155 D HA -0.236 4.411 4.640 0.012 0.000 0.189 1155 D C 1.795 178.040 176.300 -0.090 0.000 1.003 1155 D CA 2.018 55.993 54.000 -0.042 0.000 0.846 1155 D CB -0.248 40.520 40.800 -0.053 0.000 0.949 1155 D HN 0.632 nan 8.370 nan 0.000 0.446 1156 M N -0.809 118.648 119.600 -0.237 0.000 2.260 1156 M HA -0.150 4.337 4.480 0.012 0.000 0.261 1156 M C 1.758 177.926 176.300 -0.220 0.000 1.066 1156 M CA 1.130 56.247 55.300 -0.306 0.000 1.082 1156 M CB -0.469 31.822 32.600 -0.516 0.000 1.388 1156 M HN 0.096 nan 8.290 nan 0.000 0.419 1157 F N -0.772 119.170 119.950 -0.014 0.000 2.743 1157 F HA 0.002 4.536 4.527 0.012 0.000 0.297 1157 F C 0.875 176.696 175.800 0.035 0.000 1.131 1157 F CA -0.530 57.480 58.000 0.016 0.000 1.426 1157 F CB 0.199 39.200 39.000 0.002 0.000 1.116 1157 F HN -0.074 nan 8.300 nan 0.000 0.583 1158 L N 2.161 123.497 121.223 0.188 0.000 2.650 1158 L HA 0.131 4.478 4.340 0.012 0.000 0.239 1158 L C -0.315 176.610 176.870 0.092 0.000 1.412 1158 L CA 0.093 55.019 54.840 0.144 0.000 1.219 1158 L CB -1.320 40.808 42.059 0.116 0.000 1.534 1158 L HN -0.182 nan 8.230 nan 0.000 0.430 1159 V N 0.742 120.714 119.914 0.098 0.000 2.488 1159 V HA 0.319 4.446 4.120 0.012 0.000 0.293 1159 V C 0.471 176.592 176.094 0.045 0.000 1.027 1159 V CA -1.135 61.199 62.300 0.057 0.000 0.862 1159 V CB 1.674 33.525 31.823 0.047 0.000 1.008 1159 V HN 0.458 nan 8.190 nan 0.000 0.428 1160 K N 1.894 122.302 120.400 0.014 0.000 3.071 1160 K HA -0.193 4.134 4.320 0.012 0.000 0.265 1160 K C 0.414 176.954 176.600 -0.099 0.000 1.060 1160 K CA 0.995 57.264 56.287 -0.030 0.000 0.767 1160 K CB -1.229 31.275 32.500 0.006 0.000 1.241 1160 K HN 1.118 nan 8.250 nan 0.000 0.486 1161 A N -0.135 122.651 122.820 -0.058 0.000 2.407 1161 A HA 0.609 4.937 4.320 0.012 0.000 0.248 1161 A C 1.346 178.801 177.584 -0.214 0.000 1.082 1161 A CA 0.362 52.375 52.037 -0.040 0.000 0.785 1161 A CB 0.440 19.507 19.000 0.112 0.000 1.020 1161 A HN 0.443 nan 8.150 nan 0.000 0.489 1162 G N -0.015 108.657 108.800 -0.215 0.000 2.975 1162 G HA2 0.446 4.413 3.960 0.012 0.000 0.159 1162 G HA3 0.446 4.413 3.960 0.012 0.000 0.159 1162 G C 0.838 175.540 174.900 -0.331 0.000 1.525 1162 G CA 0.763 45.652 45.100 -0.351 0.000 1.075 1162 G HN 1.876 nan 8.290 nan 0.000 0.574 1163 S N -1.624 113.893 115.700 -0.305 0.000 3.917 1163 S HA -0.262 4.215 4.470 0.012 0.000 0.601 1163 S C 2.015 176.404 174.600 -0.351 0.000 2.206 1163 S CA 2.407 60.364 58.200 -0.406 0.000 4.167 1163 S CB -1.571 61.090 63.200 -0.900 0.000 0.372 1163 S HN 1.877 nan 8.310 nan 0.000 0.766 1164 G N 0.374 108.900 108.800 -0.455 0.000 2.450 1164 G HA2 -0.073 3.894 3.960 0.012 0.000 0.220 1164 G HA3 -0.073 3.894 3.960 0.012 0.000 0.220 1164 G C 1.564 176.345 174.900 -0.198 0.000 1.130 1164 G CA 1.494 46.421 45.100 -0.288 0.000 0.760 1164 G HN 0.799 nan 8.290 nan 0.000 0.557 1165 V N 1.523 121.303 119.914 -0.224 0.000 2.261 1165 V HA -0.152 3.975 4.120 0.012 0.000 0.246 1165 V C 3.309 179.323 176.094 -0.134 0.000 1.047 1165 V CA 2.106 64.324 62.300 -0.137 0.000 1.015 1165 V CB -1.040 30.718 31.823 -0.108 0.000 0.642 1165 V HN 0.483 nan 8.190 nan 0.000 0.446 1166 A N 0.011 122.706 122.820 -0.209 0.000 1.845 1166 A HA -0.242 4.085 4.320 0.012 0.000 0.215 1166 A C 2.413 179.888 177.584 -0.183 0.000 1.195 1166 A CA 2.656 54.538 52.037 -0.258 0.000 0.616 1166 A CB -1.263 17.460 19.000 -0.461 0.000 0.832 1166 A HN 0.494 nan 8.150 nan 0.000 0.443 1167 T N 0.552 115.081 114.554 -0.043 0.000 2.699 1167 T HA -0.131 4.226 4.350 0.012 0.000 0.268 1167 T C 1.551 176.298 174.700 0.078 0.000 1.036 1167 T CA 1.583 63.776 62.100 0.155 0.000 1.147 1167 T CB -0.377 68.547 68.868 0.094 0.000 0.862 1167 T HN 0.341 nan 8.240 nan 0.000 0.446 1168 L N 0.422 121.649 121.223 0.007 0.000 2.599 1168 L HA 0.239 4.587 4.340 0.012 0.000 0.230 1168 L C 1.740 178.619 176.870 0.015 0.000 1.141 1168 L CA 0.123 54.972 54.840 0.015 0.000 0.877 1168 L CB -0.637 41.418 42.059 -0.006 0.000 1.009 1168 L HN 0.470 nan 8.230 nan 0.000 0.447 1169 G N 1.227 110.028 108.800 0.002 0.000 2.305 1169 G HA2 -0.289 3.679 3.960 0.012 0.000 0.287 1169 G HA3 -0.289 3.679 3.960 0.012 0.000 0.287 1169 G C -0.156 174.744 174.900 0.001 0.000 1.036 1169 G CA -0.012 45.090 45.100 0.003 0.000 0.887 1169 G HN 0.140 nan 8.290 nan 0.000 0.505 1170 L N 1.209 122.424 121.223 -0.013 0.000 2.375 1170 L HA 0.624 4.971 4.340 0.012 0.000 0.271 1170 L C -0.553 176.314 176.870 -0.005 0.000 1.107 1170 L CA -1.904 52.931 54.840 -0.008 0.000 0.806 1170 L CB 0.816 42.865 42.059 -0.016 0.000 1.146 1170 L HN 0.145 nan 8.230 nan 0.000 0.447 1171 P HA 0.205 nan 4.420 nan 0.000 0.302 1171 P C -0.860 176.446 177.300 0.010 0.000 1.307 1171 P CA -0.643 62.463 63.100 0.009 0.000 0.754 1171 P CB 0.500 32.207 31.700 0.012 0.000 1.298 1172 S N -0.033 115.676 115.700 0.015 0.000 2.515 1172 S HA 0.067 4.544 4.470 0.012 0.000 0.285 1172 S C 0.730 175.344 174.600 0.023 0.000 1.265 1172 S CA -0.001 58.212 58.200 0.022 0.000 1.079 1172 S CB -0.638 62.575 63.200 0.022 0.000 0.877 1172 S HN 0.540 nan 8.310 nan 0.000 0.493 1173 S N 5.050 120.769 115.700 0.032 0.000 2.599 1173 S HA 0.056 4.533 4.470 0.012 0.000 0.303 1173 S C -1.524 173.092 174.600 0.026 0.000 1.267 1173 S CA -0.861 57.358 58.200 0.031 0.000 1.055 1173 S CB 0.068 63.297 63.200 0.049 0.000 0.790 1173 S HN 0.506 nan 8.310 nan 0.000 0.500 1174 P HA 0.409 nan 4.420 nan 0.000 0.282 1174 P C 0.902 178.213 177.300 0.019 0.000 1.287 1174 P CA 0.353 63.463 63.100 0.016 0.000 0.792 1174 P CB 0.106 31.813 31.700 0.012 0.000 1.163 1175 G N -1.760 107.048 108.800 0.014 0.000 2.199 1175 G HA2 -0.209 3.759 3.960 0.012 0.000 0.254 1175 G HA3 -0.209 3.759 3.960 0.012 0.000 0.254 1175 G C -0.092 174.816 174.900 0.014 0.000 0.982 1175 G CA 0.154 45.263 45.100 0.015 0.000 0.632 1175 G HN 0.718 nan 8.290 nan 0.000 0.529 1176 V N 2.254 122.175 119.914 0.012 0.000 2.328 1176 V HA 0.685 4.813 4.120 0.012 0.000 0.278 1176 V C -1.841 174.250 176.094 -0.005 0.000 1.021 1176 V CA -2.155 60.147 62.300 0.004 0.000 0.838 1176 V CB 1.087 32.914 31.823 0.007 0.000 0.999 1176 V HN 0.102 nan 8.190 nan 0.000 0.447 1177 P HA 0.080 nan 4.420 nan 0.000 0.261 1177 P C 0.323 177.612 177.300 -0.018 0.000 1.173 1177 P CA 0.125 63.217 63.100 -0.014 0.000 0.760 1177 P CB 0.510 32.200 31.700 -0.018 0.000 0.783 1178 K N 3.470 123.862 120.400 -0.015 0.000 2.152 1178 K HA -0.191 4.136 4.320 0.012 0.000 0.206 1178 K C 1.737 178.323 176.600 -0.024 0.000 1.048 1178 K CA 1.537 57.814 56.287 -0.017 0.000 0.933 1178 K CB -0.288 32.204 32.500 -0.013 0.000 0.721 1178 K HN 0.365 nan 8.250 nan 0.000 0.447 1179 K N -0.106 120.279 120.400 -0.024 0.000 2.152 1179 K HA -0.158 4.169 4.320 0.012 0.000 0.206 1179 K C 1.683 178.260 176.600 -0.039 0.000 1.048 1179 K CA 1.939 58.209 56.287 -0.029 0.000 0.933 1179 K CB -0.144 32.341 32.500 -0.026 0.000 0.721 1179 K HN 0.383 nan 8.250 nan 0.000 0.447 1180 T N -3.239 111.289 114.554 -0.042 0.000 2.976 1180 T HA -0.062 4.295 4.350 0.012 0.000 0.257 1180 T C 2.042 176.703 174.700 -0.065 0.000 1.051 1180 T CA 1.403 63.468 62.100 -0.059 0.000 1.141 1180 T CB -0.477 68.354 68.868 -0.062 0.000 0.881 1180 T HN 0.174 nan 8.240 nan 0.000 0.461 1181 T N 1.167 115.691 114.554 -0.049 0.000 2.915 1181 T HA 0.170 4.528 4.350 0.012 0.000 0.269 1181 T C 2.187 176.859 174.700 -0.046 0.000 1.071 1181 T CA 1.243 63.316 62.100 -0.044 0.000 1.132 1181 T CB -0.926 67.927 68.868 -0.024 0.000 0.878 1181 T HN 0.543 nan 8.240 nan 0.000 0.479 1182 A N 1.709 124.503 122.820 -0.043 0.000 2.024 1182 A HA -0.092 4.235 4.320 0.012 0.000 0.220 1182 A C 2.083 179.633 177.584 -0.056 0.000 1.164 1182 A CA 1.526 53.537 52.037 -0.043 0.000 0.643 1182 A CB -0.477 18.500 19.000 -0.038 0.000 0.806 1182 A HN 0.566 nan 8.150 nan 0.000 0.451 1183 N N -0.164 118.496 118.700 -0.067 0.000 2.383 1183 N HA 0.007 4.755 4.740 0.012 0.000 0.192 1183 N C -0.514 174.940 175.510 -0.093 0.000 1.141 1183 N CA 0.440 53.441 53.050 -0.082 0.000 0.851 1183 N CB 0.212 38.647 38.487 -0.086 0.000 0.976 1183 N HN 0.281 nan 8.380 nan 0.000 0.465 1184 T N 1.832 116.338 114.554 -0.080 0.000 2.743 1184 T HA 0.342 4.699 4.350 0.012 0.000 0.292 1184 T C -0.158 174.499 174.700 -0.071 0.000 0.972 1184 T CA -0.476 61.580 62.100 -0.073 0.000 0.967 1184 T CB 1.300 70.140 68.868 -0.046 0.000 0.926 1184 T HN -0.156 nan 8.240 nan 0.000 0.459 1185 L N 4.463 125.626 121.223 -0.100 0.000 2.289 1185 L HA 0.533 4.880 4.340 0.012 0.000 0.285 1185 L C 0.988 177.784 176.870 -0.122 0.000 1.049 1185 L CA -0.252 54.520 54.840 -0.113 0.000 0.804 1185 L CB 1.215 43.177 42.059 -0.161 0.000 1.195 1185 L HN 0.757 nan 8.230 nan 0.000 0.428 1186 T N -0.836 113.665 114.554 -0.088 0.000 2.918 1186 T HA 0.821 5.178 4.350 0.012 0.000 0.286 1186 T C -0.165 174.496 174.700 -0.065 0.000 1.026 1186 T CA -0.705 61.346 62.100 -0.083 0.000 1.031 1186 T CB 1.991 70.852 68.868 -0.012 0.000 1.046 1186 T HN 0.601 nan 8.240 nan 0.000 0.479 1187 T N 1.343 115.865 114.554 -0.055 0.000 2.932 1187 T HA 0.591 4.948 4.350 0.012 0.000 0.318 1187 T C -3.185 171.697 174.700 0.302 0.000 1.265 1187 T CA -1.534 60.615 62.100 0.083 0.000 1.036 1187 T CB 1.551 70.462 68.868 0.071 0.000 1.209 1187 T HN 0.461 nan 8.240 nan 0.000 0.484 1188 P HA 0.182 nan 4.420 nan 0.000 0.269 1188 P C -1.100 176.433 177.300 0.388 0.000 1.209 1188 P CA -0.225 63.050 63.100 0.292 0.000 0.776 1188 P CB 0.058 31.851 31.700 0.155 0.000 0.876 1189 Y N 2.981 123.362 120.300 0.135 0.000 2.480 1189 Y HA -0.049 4.508 4.550 0.012 0.000 0.338 1189 Y C 1.391 176.951 175.900 -0.567 0.000 1.220 1189 Y CA 1.133 59.074 58.100 -0.264 0.000 1.430 1189 Y CB -0.292 38.031 38.460 -0.229 0.000 1.311 1189 Y HN 0.606 nan 8.280 nan 0.000 0.575 1190 N N 0.971 118.434 118.700 -2.062 0.000 2.863 1190 N HA -0.273 4.475 4.740 0.012 0.000 0.245 1190 N C -1.269 173.772 175.510 -0.782 0.000 1.001 1190 N CA 0.990 52.899 53.050 -1.902 0.000 0.901 1190 N CB -0.711 37.305 38.487 -0.786 0.000 1.124 1190 N HN 0.554 nan 8.380 nan 0.000 0.582 1191 D N 0.967 121.149 120.400 -0.363 0.000 2.518 1191 D HA 0.201 4.848 4.640 0.012 0.000 0.230 1191 D C 1.001 177.426 176.300 0.208 0.000 1.138 1191 D CA -0.243 53.754 54.000 -0.004 0.000 0.964 1191 D CB 0.265 41.108 40.800 0.071 0.000 1.011 1191 D HN 0.237 nan 8.370 nan 0.000 0.517 1192 L N 2.002 123.363 121.223 0.230 0.000 2.083 1192 L HA -0.145 4.203 4.340 0.012 0.000 0.209 1192 L C 2.026 179.000 176.870 0.173 0.000 1.083 1192 L CA 0.917 55.915 54.840 0.263 0.000 0.752 1192 L CB 0.160 42.337 42.059 0.197 0.000 0.899 1192 L HN 0.300 nan 8.230 nan 0.000 0.433 1193 E N -0.041 120.231 120.200 0.120 0.000 2.077 1193 E HA -0.203 4.154 4.350 0.012 0.000 0.193 1193 E C 2.218 178.882 176.600 0.106 0.000 0.989 1193 E CA 1.320 57.775 56.400 0.091 0.000 0.800 1193 E CB -0.255 29.481 29.700 0.060 0.000 0.746 1193 E HN 0.484 nan 8.360 nan 0.000 0.452 1194 A N 1.113 124.006 122.820 0.122 0.000 1.902 1194 A HA -0.143 4.184 4.320 0.012 0.000 0.217 1194 A C 2.633 180.301 177.584 0.140 0.000 1.181 1194 A CA 1.535 53.643 52.037 0.118 0.000 0.623 1194 A CB -0.657 18.422 19.000 0.131 0.000 0.818 1194 A HN 0.138 nan 8.150 nan 0.000 0.443 1195 V N 0.221 120.258 119.914 0.206 0.000 2.295 1195 V HA -0.277 3.850 4.120 0.012 0.000 0.246 1195 V C 2.415 178.668 176.094 0.266 0.000 1.049 1195 V CA 2.323 64.770 62.300 0.244 0.000 1.024 1195 V CB -0.733 31.288 31.823 0.330 0.000 0.648 1195 V HN 0.544 nan 8.190 nan 0.000 0.447 1196 K N 0.439 120.944 120.400 0.175 0.000 2.103 1196 K HA -0.165 4.162 4.320 0.012 0.000 0.207 1196 K C 2.286 178.973 176.600 0.145 0.000 1.048 1196 K CA 1.513 57.875 56.287 0.124 0.000 0.930 1196 K CB -0.446 32.097 32.500 0.071 0.000 0.716 1196 K HN 0.486 nan 8.250 nan 0.000 0.444 1197 A N 1.453 124.342 122.820 0.116 0.000 1.933 1197 A HA -0.122 4.205 4.320 0.012 0.000 0.218 1197 A C 2.113 179.739 177.584 0.071 0.000 1.175 1197 A CA 1.169 53.257 52.037 0.084 0.000 0.628 1197 A CB -0.543 18.495 19.000 0.062 0.000 0.814 1197 A HN 0.154 nan 8.150 nan 0.000 0.444 1198 L N -2.155 119.108 121.223 0.066 0.000 2.056 1198 L HA -0.159 4.188 4.340 0.012 0.000 0.207 1198 L C 2.481 179.300 176.870 -0.086 0.000 1.078 1198 L CA 1.284 56.104 54.840 -0.033 0.000 0.749 1198 L CB -0.542 41.459 42.059 -0.097 0.000 0.901 1198 L HN 0.385 nan 8.230 nan 0.000 0.433 1199 F N -0.019 119.860 119.950 -0.119 0.000 2.113 1199 F HA -0.172 4.362 4.527 0.012 0.000 0.297 1199 F C 2.650 178.412 175.800 -0.064 0.000 1.103 1199 F CA 1.239 59.128 58.000 -0.186 0.000 1.248 1199 F CB -0.815 37.861 39.000 -0.538 0.000 0.999 1199 F HN -0.009 nan 8.300 nan 0.000 0.475 1200 A N -0.141 122.784 122.820 0.176 0.000 1.948 1200 A HA -0.243 4.085 4.320 0.012 0.000 0.220 1200 A C 1.989 179.622 177.584 0.081 0.000 1.177 1200 A CA 2.086 54.206 52.037 0.138 0.000 0.636 1200 A CB -0.783 18.282 19.000 0.109 0.000 0.815 1200 A HN 0.499 nan 8.150 nan 0.000 0.449 1201 E N -0.548 119.678 120.200 0.043 0.000 2.442 1201 E HA 0.016 4.373 4.350 0.012 0.000 0.195 1201 E C -0.261 176.334 176.600 -0.008 0.000 1.030 1201 E CA 0.167 56.574 56.400 0.013 0.000 0.869 1201 E CB 0.081 29.780 29.700 -0.002 0.000 0.857 1201 E HN 0.566 nan 8.360 nan 0.000 0.505 1202 N N 1.672 120.359 118.700 -0.022 0.000 2.672 1202 N HA 0.134 4.881 4.740 0.012 0.000 0.295 1202 N C -2.761 172.743 175.510 -0.009 0.000 1.924 1202 N CA -0.926 52.096 53.050 -0.047 0.000 0.851 1202 N CB 1.242 39.655 38.487 -0.123 0.000 1.281 1202 N HN 0.048 nan 8.380 nan 0.000 0.494 1203 P HA -0.031 nan 4.420 nan 0.000 0.262 1203 P C 0.953 178.294 177.300 0.069 0.000 1.182 1203 P CA 1.016 64.177 63.100 0.101 0.000 0.761 1203 P CB 0.506 32.258 31.700 0.088 0.000 0.795 1204 G N 3.134 111.996 108.800 0.104 0.000 2.258 1204 G HA2 -0.276 3.691 3.960 0.012 0.000 0.274 1204 G HA3 -0.276 3.691 3.960 0.012 0.000 0.274 1204 G C 0.523 175.437 174.900 0.023 0.000 1.021 1204 G CA 0.455 45.595 45.100 0.066 0.000 0.798 1204 G HN 0.660 nan 8.290 nan 0.000 0.507 1205 E N -1.188 119.008 120.200 -0.006 0.000 2.541 1205 E HA 0.181 4.538 4.350 0.012 0.000 0.219 1205 E C 0.587 177.134 176.600 -0.088 0.000 0.922 1205 E CA -0.486 55.886 56.400 -0.047 0.000 1.095 1205 E CB 0.739 30.402 29.700 -0.062 0.000 1.112 1205 E HN 0.442 nan 8.360 nan 0.000 0.516 1206 I N 1.751 122.245 120.570 -0.127 0.000 2.337 1206 I HA 0.152 4.329 4.170 0.012 0.000 0.291 1206 I C 1.242 177.326 176.117 -0.055 0.000 1.046 1206 I CA 0.022 61.197 61.300 -0.209 0.000 1.324 1206 I CB 0.793 38.436 38.000 -0.595 0.000 1.409 1206 I HN -0.021 nan 8.210 nan 0.000 0.494 1207 A N 5.207 128.000 122.820 -0.045 0.000 1.970 1207 A HA 0.439 4.766 4.320 0.012 0.000 0.216 1207 A C 1.109 178.731 177.584 0.064 0.000 1.170 1207 A CA 1.164 53.214 52.037 0.021 0.000 0.645 1207 A CB -0.120 18.882 19.000 0.004 0.000 0.816 1207 A HN 0.928 nan 8.150 nan 0.000 0.447 1208 G N -3.053 105.767 108.800 0.034 0.000 2.315 1208 G HA2 0.427 4.394 3.960 0.012 0.000 0.294 1208 G HA3 0.427 4.394 3.960 0.012 0.000 0.294 1208 G C -1.691 173.249 174.900 0.066 0.000 1.300 1208 G CA -0.036 45.122 45.100 0.097 0.000 0.843 1208 G HN 0.533 nan 8.290 nan 0.000 0.527 1209 V N 0.724 120.713 119.914 0.125 0.000 2.495 1209 V HA 0.714 4.841 4.120 0.012 0.000 0.298 1209 V C -0.152 176.026 176.094 0.141 0.000 1.031 1209 V CA -0.680 61.692 62.300 0.120 0.000 0.871 1209 V CB 1.516 33.471 31.823 0.219 0.000 0.988 1209 V HN 0.813 nan 8.190 nan 0.000 0.432 1210 I N 6.691 127.320 120.570 0.099 0.000 2.530 1210 I HA 0.822 4.999 4.170 0.012 0.000 0.297 1210 I C -1.098 175.124 176.117 0.175 0.000 1.011 1210 I CA -0.628 60.701 61.300 0.048 0.000 1.107 1210 I CB 1.551 39.444 38.000 -0.179 0.000 1.285 1210 I HN 0.765 nan 8.210 nan 0.000 0.436 1211 L N 3.157 124.536 121.223 0.260 0.000 2.775 1211 L HA 0.579 4.927 4.340 0.012 0.000 0.263 1211 L C -1.625 175.407 176.870 0.270 0.000 1.017 1211 L CA -0.976 54.144 54.840 0.466 0.000 0.891 1211 L CB 1.910 44.298 42.059 0.549 0.000 1.482 1211 L HN 0.494 nan 8.230 nan 0.000 0.410 1212 E N 1.742 122.082 120.200 0.233 0.000 2.152 1212 E HA 0.227 4.584 4.350 0.012 0.000 0.285 1212 E C -1.941 174.618 176.600 -0.068 0.000 1.043 1212 E CA -1.617 54.801 56.400 0.031 0.000 0.839 1212 E CB 1.414 31.088 29.700 -0.043 0.000 1.069 1212 E HN 0.470 nan 8.360 nan 0.000 0.399 1213 P HA -0.160 nan 4.420 nan 0.000 0.217 1213 P C -0.075 177.152 177.300 -0.123 0.000 1.151 1213 P CA 1.367 64.174 63.100 -0.489 0.000 0.849 1213 P CB 0.346 31.633 31.700 -0.689 0.000 0.787 1214 I N -1.323 119.173 120.570 -0.124 0.000 2.478 1214 I HA 0.136 4.313 4.170 0.012 0.000 0.287 1214 I C -0.507 175.491 176.117 -0.198 0.000 1.042 1214 I CA -1.186 60.034 61.300 -0.133 0.000 1.067 1214 I CB 2.795 40.714 38.000 -0.136 0.000 1.233 1214 I HN -0.419 nan 8.210 nan 0.000 0.431 1215 V N 5.395 125.094 119.914 -0.359 0.000 2.637 1215 V HA 0.271 4.399 4.120 0.012 0.000 0.296 1215 V C 1.086 177.062 176.094 -0.196 0.000 1.046 1215 V CA 0.499 62.589 62.300 -0.349 0.000 1.066 1215 V CB 1.212 32.688 31.823 -0.579 0.000 0.968 1215 V HN 1.046 nan 8.190 nan 0.000 0.483 1216 G N 2.233 110.997 108.800 -0.060 0.000 3.215 1216 G HA2 0.029 3.997 3.960 0.012 0.000 0.236 1216 G HA3 0.029 3.997 3.960 0.012 0.000 0.236 1216 G C 0.586 175.515 174.900 0.049 0.000 1.029 1216 G CA -0.187 44.945 45.100 0.054 0.000 0.909 1216 G HN 0.590 nan 8.290 nan 0.000 0.543 1217 N N 1.230 119.931 118.700 0.003 0.000 2.235 1217 N HA 0.065 4.812 4.740 0.012 0.000 0.209 1217 N C 0.762 176.266 175.510 -0.010 0.000 1.122 1217 N CA 0.620 53.664 53.050 -0.010 0.000 0.845 1217 N CB 0.910 39.378 38.487 -0.031 0.000 1.004 1217 N HN 0.341 nan 8.380 nan 0.000 0.499 1218 S N -1.240 114.500 115.700 0.066 0.000 2.941 1218 S HA 0.502 4.979 4.470 0.012 0.000 0.248 1218 S C 0.535 175.381 174.600 0.411 0.000 0.962 1218 S CA -0.120 58.224 58.200 0.240 0.000 1.092 1218 S CB 0.672 63.945 63.200 0.122 0.000 1.113 1218 S HN 0.338 nan 8.310 nan 0.000 0.512 1219 G N 1.517 110.472 108.800 0.257 0.000 2.757 1219 G HA2 -0.060 3.907 3.960 0.012 0.000 0.638 1219 G HA3 -0.060 3.907 3.960 0.012 0.000 0.638 1219 G C -0.774 174.236 174.900 0.185 0.000 1.344 1219 G CA -0.655 44.515 45.100 0.117 0.000 0.855 1219 G HN 0.851 nan 8.290 nan 0.000 0.537 1220 F N 0.902 120.834 119.950 -0.029 0.000 2.444 1220 F HA 0.714 5.248 4.527 0.012 0.000 0.360 1220 F C 0.680 176.587 175.800 0.177 0.000 1.106 1220 F CA -0.813 57.196 58.000 0.014 0.000 1.170 1220 F CB 0.222 39.170 39.000 -0.086 0.000 1.113 1220 F HN 0.424 nan 8.300 nan 0.000 0.521 1221 I N 7.333 127.611 120.570 -0.487 0.000 2.500 1221 I HA 0.258 4.435 4.170 0.012 0.000 0.286 1221 I C -0.953 174.855 176.117 -0.515 0.000 1.063 1221 I CA -0.973 60.081 61.300 -0.411 0.000 1.062 1221 I CB 1.771 39.588 38.000 -0.305 0.000 1.223 1221 I HN 0.158 nan 8.210 nan 0.000 0.435 1222 V N 7.634 127.321 119.914 -0.378 0.000 2.644 1222 V HA 0.365 4.492 4.120 0.012 0.000 0.295 1222 V C -1.894 174.230 176.094 0.050 0.000 1.053 1222 V CA -1.456 60.755 62.300 -0.149 0.000 0.987 1222 V CB 1.572 33.366 31.823 -0.048 0.000 1.006 1222 V HN 0.578 nan 8.190 nan 0.000 0.472 1223 P HA 0.194 nan 4.420 nan 0.000 0.279 1223 P C -0.860 176.456 177.300 0.026 0.000 1.239 1223 P CA -0.458 62.744 63.100 0.169 0.000 0.789 1223 P CB 0.791 32.687 31.700 0.328 0.000 0.933 1224 D N 0.804 121.173 120.400 -0.050 0.000 2.368 1224 D HA 0.173 4.821 4.640 0.012 0.000 0.240 1224 D C 0.621 176.923 176.300 0.005 0.000 1.169 1224 D CA 0.225 54.208 54.000 -0.028 0.000 0.906 1224 D CB 0.480 41.276 40.800 -0.007 0.000 1.187 1224 D HN 0.387 nan 8.370 nan 0.000 0.435 1225 A N 0.228 123.036 122.820 -0.020 0.000 2.565 1225 A HA 0.400 4.727 4.320 0.012 0.000 0.237 1225 A C 1.479 179.071 177.584 0.014 0.000 1.053 1225 A CA 0.683 52.701 52.037 -0.031 0.000 0.755 1225 A CB -0.320 18.659 19.000 -0.035 0.000 0.980 1225 A HN 0.836 nan 8.150 nan 0.000 0.506 1226 G N 1.074 109.880 108.800 0.010 0.000 2.212 1226 G HA2 -0.352 3.615 3.960 0.012 0.000 0.266 1226 G HA3 -0.352 3.615 3.960 0.012 0.000 0.266 1226 G C 0.791 175.734 174.900 0.072 0.000 0.978 1226 G CA 1.080 46.198 45.100 0.029 0.000 0.632 1226 G HN 1.347 nan 8.290 nan 0.000 0.537 1227 F N 1.214 121.115 119.950 -0.081 0.000 2.060 1227 F HA 0.170 4.705 4.527 0.012 0.000 0.295 1227 F C 2.588 178.340 175.800 -0.081 0.000 1.120 1227 F CA 2.128 60.055 58.000 -0.121 0.000 1.205 1227 F CB -0.637 38.224 39.000 -0.232 0.000 0.986 1227 F HN 0.176 nan 8.300 nan 0.000 0.470 1228 L N -0.104 120.994 121.223 -0.208 0.000 2.012 1228 L HA -0.221 4.127 4.340 0.012 0.000 0.210 1228 L C 2.358 179.172 176.870 -0.093 0.000 1.073 1228 L CA 1.765 56.486 54.840 -0.197 0.000 0.748 1228 L CB -0.896 41.209 42.059 0.077 0.000 0.891 1228 L HN 0.121 nan 8.230 nan 0.000 0.431 1229 E N 0.424 120.602 120.200 -0.036 0.000 2.085 1229 E HA -0.162 4.196 4.350 0.012 0.000 0.194 1229 E C 2.207 178.775 176.600 -0.055 0.000 0.994 1229 E CA 1.293 57.679 56.400 -0.024 0.000 0.801 1229 E CB -0.600 29.095 29.700 -0.008 0.000 0.743 1229 E HN 0.473 nan 8.360 nan 0.000 0.453 1230 G N 0.739 109.496 108.800 -0.070 0.000 2.446 1230 G HA2 -0.252 3.715 3.960 0.012 0.000 0.217 1230 G HA3 -0.252 3.715 3.960 0.012 0.000 0.217 1230 G C 1.538 176.376 174.900 -0.104 0.000 1.168 1230 G CA 0.756 45.817 45.100 -0.065 0.000 0.771 1230 G HN 0.149 nan 8.290 nan 0.000 0.551 1231 L N -0.019 121.089 121.223 -0.190 0.000 2.042 1231 L HA -0.100 4.248 4.340 0.012 0.000 0.210 1231 L C 2.956 179.779 176.870 -0.079 0.000 1.076 1231 L CA 1.375 56.124 54.840 -0.152 0.000 0.749 1231 L CB -0.362 41.546 42.059 -0.251 0.000 0.893 1231 L HN 0.186 nan 8.230 nan 0.000 0.432 1232 R N 0.832 121.293 120.500 -0.066 0.000 2.073 1232 R HA -0.213 4.134 4.340 0.012 0.000 0.234 1232 R C 2.024 178.288 176.300 -0.060 0.000 1.134 1232 R CA 1.968 58.036 56.100 -0.054 0.000 0.952 1232 R CB -0.614 29.656 30.300 -0.049 0.000 0.850 1232 R HN 0.422 nan 8.270 nan 0.000 0.433 1233 E N 0.237 120.400 120.200 -0.061 0.000 2.051 1233 E HA -0.165 4.193 4.350 0.012 0.000 0.192 1233 E C 2.037 178.591 176.600 -0.076 0.000 0.991 1233 E CA 1.866 58.231 56.400 -0.058 0.000 0.799 1233 E CB -0.294 29.378 29.700 -0.047 0.000 0.748 1233 E HN 0.580 nan 8.360 nan 0.000 0.449 1234 I N -0.255 120.243 120.570 -0.120 0.000 2.226 1234 I HA -0.209 3.968 4.170 0.012 0.000 0.245 1234 I C 2.516 178.471 176.117 -0.270 0.000 1.100 1234 I CA 1.808 62.978 61.300 -0.217 0.000 1.374 1234 I CB -1.172 36.594 38.000 -0.390 0.000 1.057 1234 I HN 0.085 nan 8.210 nan 0.000 0.413 1235 T N 0.954 115.387 114.554 -0.202 0.000 2.708 1235 T HA -0.121 4.236 4.350 0.012 0.000 0.266 1235 T C 2.013 176.716 174.700 0.005 0.000 1.037 1235 T CA 1.639 63.696 62.100 -0.072 0.000 1.146 1235 T CB -1.053 67.833 68.868 0.029 0.000 0.865 1235 T HN 0.444 nan 8.240 nan 0.000 0.435 1236 L N 0.989 122.202 121.223 -0.017 0.000 2.042 1236 L HA -0.110 4.237 4.340 0.012 0.000 0.210 1236 L C 3.069 179.933 176.870 -0.010 0.000 1.076 1236 L CA 2.000 56.836 54.840 -0.007 0.000 0.749 1236 L CB -0.685 41.358 42.059 -0.025 0.000 0.893 1236 L HN 0.425 nan 8.230 nan 0.000 0.432 1237 E N -0.167 120.016 120.200 -0.028 0.000 2.085 1237 E HA -0.232 4.126 4.350 0.012 0.000 0.194 1237 E C 1.134 177.618 176.600 -0.194 0.000 0.994 1237 E CA 1.381 57.717 56.400 -0.107 0.000 0.801 1237 E CB 0.112 29.736 29.700 -0.127 0.000 0.743 1237 E HN 0.591 nan 8.360 nan 0.000 0.453 1238 H N 0.201 119.225 119.070 -0.078 0.000 2.507 1238 H HA 0.166 4.730 4.556 0.012 0.000 0.294 1238 H C -0.667 174.713 175.328 0.086 0.000 1.064 1238 H CA 0.190 56.258 56.048 0.033 0.000 1.138 1238 H CB 0.381 30.228 29.762 0.140 0.000 1.515 1238 H HN 0.101 nan 8.280 nan 0.000 0.547 1239 D N 0.221 120.700 120.400 0.132 0.000 2.689 1239 D HA -0.169 4.479 4.640 0.012 0.000 0.237 1239 D C -0.006 176.395 176.300 0.169 0.000 1.148 1239 D CA 0.984 55.056 54.000 0.120 0.000 0.656 1239 D CB -1.079 39.771 40.800 0.084 0.000 1.050 1239 D HN 0.573 nan 8.370 nan 0.000 0.426 1240 A N -0.113 122.828 122.820 0.202 0.000 2.330 1240 A HA 0.681 5.009 4.320 0.012 0.000 0.329 1240 A C -0.133 177.546 177.584 0.158 0.000 1.135 1240 A CA -0.643 51.530 52.037 0.226 0.000 0.817 1240 A CB 1.257 20.496 19.000 0.399 0.000 1.269 1240 A HN 0.086 nan 8.150 nan 0.000 0.469 1241 L N 0.625 121.929 121.223 0.136 0.000 2.375 1241 L HA 0.472 4.819 4.340 0.012 0.000 0.271 1241 L C -0.295 176.617 176.870 0.069 0.000 1.107 1241 L CA -0.260 54.625 54.840 0.074 0.000 0.806 1241 L CB 1.149 43.239 42.059 0.051 0.000 1.146 1241 L HN 0.625 nan 8.230 nan 0.000 0.447 1242 L N 4.052 125.283 121.223 0.014 0.000 2.276 1242 L HA 0.574 4.921 4.340 0.012 0.000 0.286 1242 L C -0.859 176.003 176.870 -0.012 0.000 1.024 1242 L CA -0.132 54.721 54.840 0.021 0.000 0.826 1242 L CB 1.289 43.315 42.059 -0.055 0.000 1.211 1242 L HN 0.276 nan 8.230 nan 0.000 0.422 1243 V N 5.771 125.745 119.914 0.099 0.000 2.417 1243 V HA 0.437 4.564 4.120 0.012 0.000 0.291 1243 V C -0.491 175.804 176.094 0.335 0.000 1.024 1243 V CA -0.482 61.884 62.300 0.110 0.000 0.861 1243 V CB 1.273 33.132 31.823 0.059 0.000 0.985 1243 V HN 0.442 nan 8.190 nan 0.000 0.436 1244 F N 2.892 122.842 119.950 -0.000 0.000 2.405 1244 F HA 0.377 4.912 4.527 0.012 0.000 0.355 1244 F C 0.474 176.280 175.800 0.011 0.000 1.121 1244 F CA -1.574 56.434 58.000 0.014 0.000 1.112 1244 F CB 1.203 40.202 39.000 -0.002 0.000 1.126 1244 F HN 0.503 nan 8.300 nan 0.000 0.481 1245 D N 3.851 124.353 120.400 0.169 0.000 2.441 1245 D HA 0.082 4.730 4.640 0.012 0.000 0.221 1245 D C 0.191 176.547 176.300 0.093 0.000 1.156 1245 D CA 0.145 54.216 54.000 0.118 0.000 0.896 1245 D CB 0.391 41.309 40.800 0.196 0.000 1.028 1245 D HN 0.571 nan 8.370 nan 0.000 0.509 1246 E N 2.868 123.122 120.200 0.090 0.000 2.496 1246 E HA 0.050 4.407 4.350 0.012 0.000 0.202 1246 E C 1.575 178.223 176.600 0.079 0.000 1.021 1246 E CA -0.155 56.280 56.400 0.059 0.000 1.015 1246 E CB 1.003 30.721 29.700 0.030 0.000 1.102 1246 E HN 0.322 nan 8.360 nan 0.000 0.452 1247 V N 1.012 120.980 119.914 0.091 0.000 2.324 1247 V HA -0.295 3.832 4.120 0.012 0.000 0.250 1247 V C 2.227 178.392 176.094 0.118 0.000 1.060 1247 V CA 1.961 64.325 62.300 0.107 0.000 1.042 1247 V CB -0.277 31.599 31.823 0.088 0.000 0.650 1247 V HN 0.395 nan 8.190 nan 0.000 0.450 1248 M N -0.221 119.452 119.600 0.121 0.000 2.429 1248 M HA -0.074 4.413 4.480 0.012 0.000 0.265 1248 M C 2.223 178.622 176.300 0.165 0.000 1.120 1248 M CA 1.718 57.111 55.300 0.155 0.000 1.173 1248 M CB 0.059 32.793 32.600 0.222 0.000 1.343 1248 M HN 0.539 nan 8.290 nan 0.000 0.464 1249 T N -1.749 112.878 114.554 0.123 0.000 3.014 1249 T HA 0.151 4.508 4.350 0.012 0.000 0.263 1249 T C 1.184 175.913 174.700 0.048 0.000 1.078 1249 T CA 0.404 62.560 62.100 0.094 0.000 1.135 1249 T CB -1.116 67.761 68.868 0.015 0.000 0.895 1249 T HN 0.420 nan 8.240 nan 0.000 0.480 1250 G N 0.464 109.281 108.800 0.028 0.000 2.272 1250 G HA2 0.343 4.310 3.960 0.012 0.000 0.247 1250 G HA3 0.343 4.310 3.960 0.012 0.000 0.247 1250 G C -0.045 174.891 174.900 0.060 0.000 1.272 1250 G CA -0.479 44.565 45.100 -0.094 0.000 0.921 1250 G HN 0.410 nan 8.290 nan 0.000 0.495 1251 F N -0.695 119.265 119.950 0.017 0.000 2.825 1251 F HA -0.273 4.261 4.527 0.012 0.000 0.358 1251 F C 1.951 177.926 175.800 0.291 0.000 0.639 1251 F CA 1.542 59.604 58.000 0.103 0.000 1.153 1251 F CB -0.966 38.064 39.000 0.050 0.000 1.610 1251 F HN 0.588 nan 8.300 nan 0.000 0.305 1252 R N 0.382 121.080 120.500 0.331 0.000 2.119 1252 R HA 0.205 4.553 4.340 0.012 0.000 0.202 1252 R C 2.020 178.536 176.300 0.360 0.000 1.114 1252 R CA 0.559 56.880 56.100 0.369 0.000 1.089 1252 R CB 0.061 30.522 30.300 0.268 0.000 1.000 1252 R HN 0.207 nan 8.270 nan 0.000 0.487 1253 I N 1.340 122.012 120.570 0.170 0.000 2.394 1253 I HA 0.049 4.226 4.170 0.012 0.000 0.251 1253 I C 0.833 176.922 176.117 -0.046 0.000 1.136 1253 I CA 1.075 62.419 61.300 0.074 0.000 1.425 1253 I CB -0.654 37.311 38.000 -0.058 0.000 1.079 1253 I HN 0.316 nan 8.210 nan 0.000 0.425 1254 A N -2.090 120.600 122.820 -0.216 0.000 2.586 1254 A HA 0.294 4.621 4.320 0.012 0.000 0.291 1254 A C 0.095 177.338 177.584 -0.568 0.000 1.062 1254 A CA -0.578 51.073 52.037 -0.643 0.000 0.666 1254 A CB -0.114 18.674 19.000 -0.354 0.000 1.281 1254 A HN 0.051 nan 8.150 nan 0.000 0.421 1255 Y N 1.039 120.858 120.300 -0.802 0.000 2.165 1255 Y HA -0.041 4.516 4.550 0.012 0.000 0.286 1255 Y C 2.046 177.768 175.900 -0.296 0.000 1.155 1255 Y CA 3.147 61.132 58.100 -0.192 0.000 1.164 1255 Y CB -0.020 38.438 38.460 -0.004 0.000 0.978 1255 Y HN 0.743 nan 8.280 nan 0.000 0.513 1256 G N -0.766 107.897 108.800 -0.229 0.000 3.233 1256 G HA2 0.402 4.369 3.960 0.012 0.000 0.227 1256 G HA3 0.402 4.369 3.960 0.012 0.000 0.227 1256 G C 0.653 175.366 174.900 -0.312 0.000 1.175 1256 G CA 0.331 45.255 45.100 -0.293 0.000 0.781 1256 G HN 0.819 nan 8.290 nan 0.000 0.542 1257 G N -0.748 107.845 108.800 -0.345 0.000 2.750 1257 G HA2 -0.222 3.745 3.960 0.012 0.000 0.228 1257 G HA3 -0.222 3.745 3.960 0.012 0.000 0.228 1257 G C 0.975 175.758 174.900 -0.195 0.000 1.367 1257 G CA -0.249 44.702 45.100 -0.249 0.000 0.871 1257 G HN 0.578 nan 8.290 nan 0.000 0.560 1258 V N 1.434 121.237 119.914 -0.186 0.000 2.407 1258 V HA -0.262 3.865 4.120 0.012 0.000 0.248 1258 V C 3.081 179.109 176.094 -0.110 0.000 1.055 1258 V CA 3.228 65.347 62.300 -0.301 0.000 1.049 1258 V CB -0.889 30.736 31.823 -0.330 0.000 0.662 1258 V HN 0.879 nan 8.190 nan 0.000 0.455 1259 Q N 0.806 120.664 119.800 0.097 0.000 2.135 1259 Q HA -0.311 4.036 4.340 0.012 0.000 0.204 1259 Q C 2.123 178.164 176.000 0.068 0.000 0.981 1259 Q CA 2.293 58.216 55.803 0.199 0.000 0.856 1259 Q CB -0.483 28.346 28.738 0.151 0.000 0.902 1259 Q HN 0.811 nan 8.270 nan 0.000 0.425 1260 E N 1.354 121.547 120.200 -0.013 0.000 2.028 1260 E HA -0.211 4.146 4.350 0.012 0.000 0.190 1260 E C 2.027 178.634 176.600 0.012 0.000 0.984 1260 E CA 1.109 57.498 56.400 -0.018 0.000 0.800 1260 E CB 0.036 29.697 29.700 -0.065 0.000 0.758 1260 E HN 0.199 nan 8.360 nan 0.000 0.448 1261 K N 0.400 120.774 120.400 -0.044 0.000 2.020 1261 K HA -0.140 4.187 4.320 0.012 0.000 0.212 1261 K C 1.594 178.363 176.600 0.282 0.000 1.050 1261 K CA 1.995 58.287 56.287 0.009 0.000 0.929 1261 K CB -0.441 31.928 32.500 -0.217 0.000 0.714 1261 K HN 0.278 nan 8.250 nan 0.000 0.443 1262 F N -0.446 119.532 119.950 0.046 0.000 2.732 1262 F HA 0.185 4.720 4.527 0.012 0.000 0.303 1262 F C 1.164 176.995 175.800 0.052 0.000 1.110 1262 F CA -0.207 57.824 58.000 0.052 0.000 1.355 1262 F CB 0.307 39.344 39.000 0.061 0.000 1.081 1262 F HN 0.381 nan 8.300 nan 0.000 0.565 1263 G N 1.624 110.555 108.800 0.218 0.000 2.225 1263 G HA2 -0.295 3.672 3.960 0.012 0.000 0.267 1263 G HA3 -0.295 3.672 3.960 0.012 0.000 0.267 1263 G C -0.283 174.679 174.900 0.104 0.000 1.024 1263 G CA 0.094 45.268 45.100 0.124 0.000 0.784 1263 G HN 0.187 nan 8.290 nan 0.000 0.507 1264 V N 0.704 120.706 119.914 0.147 0.000 2.409 1264 V HA 0.562 4.690 4.120 0.012 0.000 0.291 1264 V C 0.429 176.501 176.094 -0.036 0.000 1.020 1264 V CA -0.297 62.059 62.300 0.094 0.000 0.848 1264 V CB 1.889 33.839 31.823 0.211 0.000 0.990 1264 V HN 0.284 nan 8.190 nan 0.000 0.430 1265 T N 8.141 122.615 114.554 -0.133 0.000 2.738 1265 T HA 0.377 4.735 4.350 0.012 0.000 0.298 1265 T C -2.174 172.296 174.700 -0.384 0.000 0.962 1265 T CA -0.850 61.110 62.100 -0.233 0.000 0.972 1265 T CB 1.369 70.154 68.868 -0.138 0.000 0.928 1265 T HN 0.523 nan 8.240 nan 0.000 0.474 1266 P HA 0.345 nan 4.420 nan 0.000 0.279 1266 P C -0.036 177.074 177.300 -0.317 0.000 1.282 1266 P CA -0.409 62.310 63.100 -0.634 0.000 0.788 1266 P CB 1.297 32.388 31.700 -1.016 0.000 1.139 1267 D N -1.163 119.102 120.400 -0.225 0.000 2.301 1267 D HA 0.130 4.778 4.640 0.012 0.000 0.206 1267 D C 0.277 176.490 176.300 -0.144 0.000 0.979 1267 D CA 1.048 54.950 54.000 -0.164 0.000 0.874 1267 D CB 0.238 40.956 40.800 -0.136 0.000 0.968 1267 D HN 0.078 nan 8.370 nan 0.000 0.510 1268 L N -0.055 121.099 121.223 -0.116 0.000 2.434 1268 L HA 0.390 4.737 4.340 0.012 0.000 0.260 1268 L C -0.666 176.190 176.870 -0.024 0.000 0.983 1268 L CA -0.390 54.415 54.840 -0.057 0.000 0.820 1268 L CB 2.388 44.432 42.059 -0.024 0.000 1.361 1268 L HN -0.323 nan 8.230 nan 0.000 0.410 1269 T N 0.402 114.964 114.554 0.013 0.000 2.916 1269 T HA 0.666 5.024 4.350 0.012 0.000 0.298 1269 T C -0.584 174.166 174.700 0.083 0.000 1.031 1269 T CA -0.641 61.491 62.100 0.053 0.000 0.993 1269 T CB 1.802 70.680 68.868 0.018 0.000 1.045 1269 T HN 0.685 nan 8.240 nan 0.000 0.454 1270 T N 1.572 116.184 114.554 0.096 0.000 2.859 1270 T HA 0.845 5.202 4.350 0.012 0.000 0.281 1270 T C -0.452 174.312 174.700 0.106 0.000 1.005 1270 T CA -0.816 61.349 62.100 0.109 0.000 1.025 1270 T CB 0.598 69.510 68.868 0.075 0.000 0.977 1270 T HN 0.394 nan 8.240 nan 0.000 0.458 1271 L N 1.470 122.771 121.223 0.130 0.000 2.333 1271 L HA 0.921 5.268 4.340 0.012 0.000 0.263 1271 L C 0.593 177.560 176.870 0.162 0.000 1.014 1271 L CA -0.917 54.018 54.840 0.158 0.000 0.820 1271 L CB 2.323 44.510 42.059 0.213 0.000 1.352 1271 L HN 1.076 nan 8.230 nan 0.000 0.421 1272 G N -0.630 108.271 108.800 0.168 0.000 2.500 1272 G HA2 0.344 4.311 3.960 0.012 0.000 0.299 1272 G HA3 0.344 4.311 3.960 0.012 0.000 0.299 1272 G C -0.762 174.210 174.900 0.121 0.000 1.242 1272 G CA -0.095 45.087 45.100 0.136 0.000 0.859 1272 G HN 0.538 nan 8.290 nan 0.000 0.481 1273 K N -1.127 119.330 120.400 0.094 0.000 4.822 1273 K HA -0.348 3.979 4.320 0.012 0.000 0.252 1273 K C 2.083 178.706 176.600 0.040 0.000 0.687 1273 K CA 2.354 58.682 56.287 0.069 0.000 0.808 1273 K CB -1.355 31.180 32.500 0.058 0.000 0.777 1273 K HN 0.371 nan 8.250 nan 0.000 0.840 1274 I N 1.059 121.655 120.570 0.042 0.000 2.248 1274 I HA -0.270 3.907 4.170 0.012 0.000 0.248 1274 I C 2.565 178.625 176.117 -0.095 0.000 1.107 1274 I CA 1.650 62.948 61.300 -0.003 0.000 1.373 1274 I CB -0.297 37.743 38.000 0.067 0.000 1.055 1274 I HN 0.352 nan 8.210 nan 0.000 0.418 1275 I N 0.753 121.277 120.570 -0.078 0.000 2.530 1275 I HA -0.208 3.969 4.170 0.012 0.000 0.257 1275 I C 2.071 178.125 176.117 -0.105 0.000 1.179 1275 I CA 1.511 62.713 61.300 -0.162 0.000 1.440 1275 I CB -0.202 37.806 38.000 0.014 0.000 1.087 1275 I HN 0.227 nan 8.210 nan 0.000 0.440 1276 G N -0.511 108.259 108.800 -0.049 0.000 2.939 1276 G HA2 0.107 4.074 3.960 0.012 0.000 0.210 1276 G HA3 0.107 4.074 3.960 0.012 0.000 0.210 1276 G C 1.269 176.138 174.900 -0.052 0.000 1.160 1276 G CA 0.391 45.462 45.100 -0.047 0.000 0.770 1276 G HN 0.568 nan 8.290 nan 0.000 0.543 1277 G N -0.483 108.281 108.800 -0.060 0.000 2.269 1277 G HA2 0.136 4.104 3.960 0.012 0.000 0.277 1277 G HA3 0.136 4.104 3.960 0.012 0.000 0.277 1277 G C 1.192 176.087 174.900 -0.008 0.000 1.008 1277 G CA 1.359 46.430 45.100 -0.049 0.000 0.774 1277 G HN 1.821 nan 8.290 nan 0.000 0.511 1278 G N -2.939 105.868 108.800 0.012 0.000 2.296 1278 G HA2 0.056 4.023 3.960 0.012 0.000 0.188 1278 G HA3 0.056 4.023 3.960 0.012 0.000 0.188 1278 G C 0.094 175.018 174.900 0.040 0.000 1.000 1278 G CA 0.265 45.392 45.100 0.044 0.000 0.672 1278 G HN 1.038 nan 8.290 nan 0.000 0.483 1279 L N 1.185 122.417 121.223 0.016 0.000 2.332 1279 L HA 0.688 5.035 4.340 0.012 0.000 0.269 1279 L C -2.193 174.688 176.870 0.018 0.000 1.016 1279 L CA -2.319 52.527 54.840 0.011 0.000 0.809 1279 L CB 1.120 43.169 42.059 -0.017 0.000 1.280 1279 L HN -0.177 nan 8.230 nan 0.000 0.447 1280 P HA 0.235 nan 4.420 nan 0.000 0.269 1280 P C -1.329 175.989 177.300 0.029 0.000 1.263 1280 P CA 0.111 63.234 63.100 0.038 0.000 0.813 1280 P CB 0.409 32.134 31.700 0.041 0.000 0.868 1281 V N 3.140 123.080 119.914 0.043 0.000 2.932 1281 V HA 0.843 4.971 4.120 0.012 0.000 0.307 1281 V C 0.302 176.457 176.094 0.102 0.000 1.147 1281 V CA -0.581 61.750 62.300 0.053 0.000 0.951 1281 V CB 2.451 34.278 31.823 0.006 0.000 1.031 1281 V HN 0.625 nan 8.190 nan 0.000 0.426 1282 G N 1.326 110.215 108.800 0.150 0.000 2.694 1282 G HA2 1.014 4.981 3.960 0.012 0.000 0.290 1282 G HA3 1.014 4.981 3.960 0.012 0.000 0.290 1282 G C -1.289 173.752 174.900 0.234 0.000 1.386 1282 G CA -0.244 44.958 45.100 0.170 0.000 0.872 1282 G HN 1.476 nan 8.290 nan 0.000 0.475 1283 A N -0.667 122.276 122.820 0.206 0.000 2.594 1283 A HA 0.777 5.104 4.320 0.012 0.000 0.296 1283 A C -1.687 175.989 177.584 0.153 0.000 1.056 1283 A CA -0.683 51.430 52.037 0.127 0.000 0.693 1283 A CB 1.035 20.079 19.000 0.075 0.000 1.278 1283 A HN 2.101 nan 8.150 nan 0.000 0.408 1284 Y N -0.526 119.734 120.300 -0.067 0.000 2.457 1284 Y HA 0.874 5.430 4.550 0.011 0.000 0.343 1284 Y C 0.031 175.868 175.900 -0.105 0.000 0.994 1284 Y CA -0.439 57.626 58.100 -0.059 0.000 1.031 1284 Y CB 1.439 39.877 38.460 -0.037 0.000 1.246 1284 Y HN 1.434 nan 8.280 nan 0.000 0.449 1285 G N 0.194 108.975 108.800 -0.031 0.000 2.649 1285 G HA2 0.737 4.705 3.960 0.012 0.000 0.290 1285 G HA3 0.737 4.705 3.960 0.012 0.000 0.290 1285 G C -0.913 173.951 174.900 -0.059 0.000 1.426 1285 G CA -0.489 44.536 45.100 -0.125 0.000 0.794 1285 G HN 1.516 nan 8.290 nan 0.000 0.483 1286 G N -0.898 107.849 108.800 -0.089 0.000 2.392 1286 G HA2 0.429 4.396 3.960 0.012 0.000 0.260 1286 G HA3 0.429 4.396 3.960 0.012 0.000 0.260 1286 G C -1.281 173.553 174.900 -0.109 0.000 1.226 1286 G CA -0.859 44.184 45.100 -0.095 0.000 0.913 1286 G HN 0.551 nan 8.290 nan 0.000 0.483 1287 K N 0.667 120.989 120.400 -0.129 0.000 2.524 1287 K HA 0.099 4.426 4.320 0.012 0.000 0.279 1287 K C 1.551 178.081 176.600 -0.117 0.000 0.993 1287 K CA -0.141 56.072 56.287 -0.124 0.000 1.030 1287 K CB 1.144 33.553 32.500 -0.152 0.000 0.891 1287 K HN 0.634 nan 8.250 nan 0.000 0.488 1288 R N 2.306 122.757 120.500 -0.082 0.000 2.083 1288 R HA -0.212 4.135 4.340 0.012 0.000 0.237 1288 R C 1.238 177.508 176.300 -0.050 0.000 1.137 1288 R CA 2.034 58.096 56.100 -0.062 0.000 0.951 1288 R CB 0.136 30.412 30.300 -0.041 0.000 0.851 1288 R HN 0.564 nan 8.270 nan 0.000 0.434 1289 E N 0.145 120.320 120.200 -0.042 0.000 2.160 1289 E HA -0.189 4.168 4.350 0.012 0.000 0.195 1289 E C 1.795 178.390 176.600 -0.009 0.000 0.991 1289 E CA 1.419 57.826 56.400 0.012 0.000 0.810 1289 E CB -0.159 29.579 29.700 0.063 0.000 0.742 1289 E HN 0.481 nan 8.360 nan 0.000 0.466 1290 I N -0.159 120.286 120.570 -0.209 0.000 2.277 1290 I HA -0.153 4.024 4.170 0.012 0.000 0.243 1290 I C 1.907 177.978 176.117 -0.078 0.000 1.094 1290 I CA 0.625 61.726 61.300 -0.331 0.000 1.393 1290 I CB -0.215 37.457 38.000 -0.546 0.000 1.078 1290 I HN 0.108 nan 8.210 nan 0.000 0.417 1291 M N 0.276 119.833 119.600 -0.071 0.000 2.346 1291 M HA -0.212 4.275 4.480 0.012 0.000 0.263 1291 M C 2.161 178.458 176.300 -0.005 0.000 1.064 1291 M CA 1.431 56.712 55.300 -0.031 0.000 1.083 1291 M CB -1.217 31.335 32.600 -0.081 0.000 1.399 1291 M HN 0.225 nan 8.290 nan 0.000 0.435 1292 Q N 0.439 120.244 119.800 0.008 0.000 2.364 1292 Q HA -0.072 4.275 4.340 0.012 0.000 0.209 1292 Q C 1.499 177.528 176.000 0.049 0.000 0.977 1292 Q CA 1.077 56.895 55.803 0.026 0.000 0.885 1292 Q CB -0.210 28.550 28.738 0.036 0.000 0.941 1292 Q HN 0.378 nan 8.270 nan 0.000 0.464 1293 L N -0.863 120.405 121.223 0.075 0.000 2.478 1293 L HA 0.066 4.414 4.340 0.012 0.000 0.223 1293 L C 0.058 176.972 176.870 0.074 0.000 1.140 1293 L CA 0.334 55.226 54.840 0.087 0.000 0.842 1293 L CB -0.157 41.977 42.059 0.125 0.000 0.953 1293 L HN -0.083 nan 8.230 nan 0.000 0.452 1294 V N 0.759 120.712 119.914 0.065 0.000 2.508 1294 V HA 0.363 4.490 4.120 0.012 0.000 0.281 1294 V C 0.940 177.052 176.094 0.030 0.000 1.041 1294 V CA -0.864 61.473 62.300 0.061 0.000 1.016 1294 V CB 0.471 32.337 31.823 0.070 0.000 0.984 1294 V HN 0.256 nan 8.190 nan 0.000 0.478 1295 A N 8.050 130.883 122.820 0.021 0.000 2.466 1295 A HA 0.383 4.710 4.320 0.012 0.000 0.238 1295 A C -0.656 176.917 177.584 -0.019 0.000 1.074 1295 A CA -0.741 51.309 52.037 0.022 0.000 0.774 1295 A CB -0.090 18.940 19.000 0.050 0.000 1.015 1295 A HN 0.788 nan 8.150 nan 0.000 0.498 1296 P HA 0.098 nan 4.420 nan 0.000 0.249 1296 P C 0.980 178.303 177.300 0.038 0.000 1.229 1296 P CA 0.946 64.073 63.100 0.045 0.000 0.788 1296 P CB 0.303 32.032 31.700 0.048 0.000 1.072 1297 A N 0.223 123.057 122.820 0.024 0.000 1.898 1297 A HA 0.274 4.602 4.320 0.012 0.000 0.216 1297 A C 1.443 179.047 177.584 0.034 0.000 1.181 1297 A CA 1.476 53.527 52.037 0.023 0.000 0.620 1297 A CB -0.994 18.011 19.000 0.009 0.000 0.819 1297 A HN 0.375 nan 8.150 nan 0.000 0.442 1298 G N -2.588 106.238 108.800 0.044 0.000 3.140 1298 G HA2 0.492 4.459 3.960 0.012 0.000 0.271 1298 G HA3 0.492 4.459 3.960 0.012 0.000 0.271 1298 G C -2.125 172.816 174.900 0.068 0.000 1.370 1298 G CA -0.172 44.960 45.100 0.054 0.000 1.014 1298 G HN -0.047 nan 8.290 nan 0.000 0.541 1299 P HA 0.012 nan 4.420 nan 0.000 0.225 1299 P C 0.919 178.279 177.300 0.101 0.000 1.156 1299 P CA 0.462 63.609 63.100 0.078 0.000 0.787 1299 P CB 0.342 32.074 31.700 0.054 0.000 0.802 1300 M N 0.643 120.297 119.600 0.091 0.000 2.292 1300 M HA 0.085 4.572 4.480 0.012 0.000 0.342 1300 M C -0.776 175.595 176.300 0.119 0.000 1.538 1300 M CA -0.533 54.825 55.300 0.096 0.000 1.163 1300 M CB -0.175 32.468 32.600 0.071 0.000 1.823 1300 M HN -0.172 nan 8.290 nan 0.000 0.462 1301 Y N 5.186 125.502 120.300 0.027 0.000 2.377 1301 Y HA 0.221 4.775 4.550 0.007 0.000 0.330 1301 Y C -0.259 175.662 175.900 0.035 0.000 1.108 1301 Y CA 0.663 58.781 58.100 0.031 0.000 1.308 1301 Y CB 0.480 38.953 38.460 0.021 0.000 1.216 1301 Y HN 0.595 nan 8.280 nan 0.000 0.518 1302 Q N 4.877 124.372 119.800 -0.509 0.000 2.364 1302 Q HA 0.635 4.982 4.340 0.012 0.000 0.251 1302 Q C -2.206 173.533 176.000 -0.435 0.000 0.927 1302 Q CA -0.441 55.191 55.803 -0.285 0.000 0.924 1302 Q CB 1.543 30.250 28.738 -0.052 0.000 1.419 1302 Q HN 0.877 nan 8.270 nan 0.000 0.427 1303 A N 1.523 124.163 122.820 -0.301 0.000 2.530 1303 A HA 1.057 5.384 4.320 0.012 0.000 0.288 1303 A C -0.809 176.761 177.584 -0.022 0.000 1.172 1303 A CA -0.220 51.705 52.037 -0.187 0.000 0.733 1303 A CB 2.045 20.942 19.000 -0.173 0.000 1.320 1303 A HN 0.844 nan 8.150 nan 0.000 0.419 1304 G N -0.982 107.826 108.800 0.013 0.000 2.505 1304 G HA2 0.464 4.431 3.960 0.012 0.000 0.292 1304 G HA3 0.464 4.431 3.960 0.012 0.000 0.292 1304 G C 0.097 175.024 174.900 0.046 0.000 1.332 1304 G CA 0.526 45.651 45.100 0.042 0.000 1.286 1304 G HN 0.667 nan 8.290 nan 0.000 0.606 1305 T N 2.230 116.814 114.554 0.050 0.000 2.635 1305 T HA -0.151 4.206 4.350 0.012 0.000 0.267 1305 T C 2.207 176.930 174.700 0.038 0.000 1.040 1305 T CA 1.431 63.560 62.100 0.048 0.000 1.156 1305 T CB -0.116 68.780 68.868 0.047 0.000 0.863 1305 T HN 0.234 nan 8.240 nan 0.000 0.430 1306 L N 1.065 122.305 121.223 0.030 0.000 2.592 1306 L HA 0.230 4.577 4.340 0.012 0.000 0.227 1306 L C 0.769 177.641 176.870 0.005 0.000 1.127 1306 L CA 0.015 54.861 54.840 0.010 0.000 0.884 1306 L CB -0.092 41.970 42.059 0.005 0.000 1.065 1306 L HN -0.000 nan 8.230 nan 0.000 0.457 1307 S N 0.397 116.116 115.700 0.031 0.000 2.537 1307 S HA 0.311 4.788 4.470 0.012 0.000 0.286 1307 S C 1.306 175.924 174.600 0.030 0.000 1.299 1307 S CA 0.466 58.697 58.200 0.051 0.000 1.067 1307 S CB 0.500 63.749 63.200 0.081 0.000 0.864 1307 S HN 0.588 nan 8.310 nan 0.000 0.494 1308 G N 2.974 111.772 108.800 -0.003 0.000 2.153 1308 G HA2 -0.311 3.656 3.960 0.012 0.000 0.252 1308 G HA3 -0.311 3.656 3.960 0.012 0.000 0.252 1308 G C -0.112 174.704 174.900 -0.140 0.000 0.994 1308 G CA 0.233 45.281 45.100 -0.087 0.000 0.698 1308 G HN 0.982 nan 8.290 nan 0.000 0.521 1309 N N 0.269 118.881 118.700 -0.147 0.000 2.454 1309 N HA 0.394 5.141 4.740 0.012 0.000 0.254 1309 N C -0.399 174.942 175.510 -0.282 0.000 1.228 1309 N CA -0.792 52.128 53.050 -0.217 0.000 0.900 1309 N CB 0.909 39.293 38.487 -0.172 0.000 1.089 1309 N HN 0.139 nan 8.380 nan 0.000 0.449 1310 P HA -0.230 nan 4.420 nan 0.000 0.217 1310 P C 1.204 178.362 177.300 -0.237 0.000 1.148 1310 P CA 1.334 64.216 63.100 -0.363 0.000 0.828 1310 P CB 0.193 31.532 31.700 -0.600 0.000 0.783 1311 L N -0.648 120.447 121.223 -0.214 0.000 2.005 1311 L HA -0.120 4.227 4.340 0.012 0.000 0.207 1311 L C 2.850 179.642 176.870 -0.130 0.000 1.072 1311 L CA 1.656 56.412 54.840 -0.139 0.000 0.744 1311 L CB -1.224 40.770 42.059 -0.109 0.000 0.895 1311 L HN -0.042 nan 8.230 nan 0.000 0.433 1312 A N -0.187 122.546 122.820 -0.145 0.000 1.883 1312 A HA -0.250 4.077 4.320 0.012 0.000 0.217 1312 A C 2.271 179.737 177.584 -0.196 0.000 1.186 1312 A CA 1.737 53.686 52.037 -0.147 0.000 0.624 1312 A CB -0.424 18.488 19.000 -0.147 0.000 0.822 1312 A HN 0.300 nan 8.150 nan 0.000 0.444 1313 M N -0.348 119.102 119.600 -0.250 0.000 2.108 1313 M HA -0.117 4.370 4.480 0.012 0.000 0.261 1313 M C 2.206 178.395 176.300 -0.186 0.000 1.066 1313 M CA 2.131 57.259 55.300 -0.286 0.000 1.107 1313 M CB -2.179 30.251 32.600 -0.283 0.000 1.356 1313 M HN 0.447 nan 8.290 nan 0.000 0.406 1314 T N 1.297 115.765 114.554 -0.142 0.000 2.708 1314 T HA -0.073 4.284 4.350 0.012 0.000 0.266 1314 T C 1.940 176.586 174.700 -0.089 0.000 1.037 1314 T CA 1.796 63.838 62.100 -0.097 0.000 1.146 1314 T CB -0.370 68.453 68.868 -0.076 0.000 0.865 1314 T HN 0.498 nan 8.240 nan 0.000 0.435 1315 A N 1.322 124.086 122.820 -0.093 0.000 1.902 1315 A HA 0.113 4.440 4.320 0.012 0.000 0.217 1315 A C 2.623 180.146 177.584 -0.102 0.000 1.181 1315 A CA 1.890 53.880 52.037 -0.079 0.000 0.623 1315 A CB -1.351 17.610 19.000 -0.065 0.000 0.818 1315 A HN 0.516 nan 8.150 nan 0.000 0.443 1316 G N -0.038 108.682 108.800 -0.133 0.000 2.418 1316 G HA2 -0.168 3.800 3.960 0.012 0.000 0.217 1316 G HA3 -0.168 3.800 3.960 0.012 0.000 0.217 1316 G C 1.538 176.348 174.900 -0.150 0.000 1.158 1316 G CA 1.087 46.091 45.100 -0.161 0.000 0.771 1316 G HN 0.468 nan 8.290 nan 0.000 0.545 1317 I N 0.227 120.725 120.570 -0.120 0.000 2.142 1317 I HA -0.150 4.027 4.170 0.012 0.000 0.240 1317 I C 2.718 178.796 176.117 -0.066 0.000 1.078 1317 I CA 1.447 62.700 61.300 -0.078 0.000 1.343 1317 I CB -0.122 37.842 38.000 -0.060 0.000 1.046 1317 I HN 0.071 nan 8.210 nan 0.000 0.405 1318 K N 0.771 121.128 120.400 -0.071 0.000 2.057 1318 K HA -0.142 4.185 4.320 0.012 0.000 0.207 1318 K C 2.021 178.560 176.600 -0.102 0.000 1.049 1318 K CA 1.860 58.103 56.287 -0.072 0.000 0.931 1318 K CB -0.561 31.900 32.500 -0.064 0.000 0.714 1318 K HN 0.216 nan 8.250 nan 0.000 0.440 1319 T N 0.996 115.481 114.554 -0.115 0.000 2.708 1319 T HA -0.121 4.236 4.350 0.012 0.000 0.266 1319 T C 1.530 176.173 174.700 -0.096 0.000 1.037 1319 T CA 1.344 63.365 62.100 -0.132 0.000 1.146 1319 T CB -0.224 68.562 68.868 -0.136 0.000 0.865 1319 T HN 0.021 nan 8.240 nan 0.000 0.435 1320 L N 1.182 122.347 121.223 -0.096 0.000 2.083 1320 L HA -0.030 4.317 4.340 0.012 0.000 0.209 1320 L C 2.453 179.396 176.870 0.122 0.000 1.083 1320 L CA 1.579 56.431 54.840 0.020 0.000 0.752 1320 L CB -0.745 41.290 42.059 -0.040 0.000 0.899 1320 L HN 0.346 nan 8.230 nan 0.000 0.433 1321 E N -0.736 119.482 120.200 0.030 0.000 2.110 1321 E HA -0.212 4.146 4.350 0.012 0.000 0.193 1321 E C 2.287 178.877 176.600 -0.016 0.000 0.988 1321 E CA 1.006 57.415 56.400 0.015 0.000 0.804 1321 E CB -0.220 29.474 29.700 -0.011 0.000 0.745 1321 E HN 0.448 nan 8.360 nan 0.000 0.458 1322 L N 0.620 121.807 121.223 -0.060 0.000 2.093 1322 L HA -0.156 4.191 4.340 0.012 0.000 0.208 1322 L C 2.396 179.233 176.870 -0.054 0.000 1.085 1322 L CA 0.727 55.507 54.840 -0.101 0.000 0.755 1322 L CB -0.262 41.656 42.059 -0.235 0.000 0.904 1322 L HN 0.161 nan 8.230 nan 0.000 0.435 1323 L N -0.701 120.532 121.223 0.015 0.000 2.275 1323 L HA -0.132 4.216 4.340 0.012 0.000 0.215 1323 L C 2.519 179.429 176.870 0.066 0.000 1.119 1323 L CA 0.843 55.733 54.840 0.083 0.000 0.790 1323 L CB -0.378 41.876 42.059 0.325 0.000 0.919 1323 L HN 0.202 nan 8.230 nan 0.000 0.443 1324 R N -0.549 119.939 120.500 -0.020 0.000 2.276 1324 R HA -0.015 4.332 4.340 0.012 0.000 0.203 1324 R C 0.429 176.677 176.300 -0.087 0.000 1.017 1324 R CA 0.043 56.037 56.100 -0.176 0.000 1.010 1324 R CB 0.075 30.262 30.300 -0.188 0.000 0.900 1324 R HN 0.325 nan 8.270 nan 0.000 0.469 1325 Q N 0.986 120.757 119.800 -0.048 0.000 2.432 1325 Q HA 0.119 4.466 4.340 0.012 0.000 0.264 1325 Q C -2.206 173.782 176.000 -0.020 0.000 1.035 1325 Q CA -1.941 53.841 55.803 -0.036 0.000 0.908 1325 Q CB -0.175 28.540 28.738 -0.038 0.000 1.280 1325 Q HN -0.026 nan 8.270 nan 0.000 0.455 1326 P HA 0.006 nan 4.420 nan 0.000 0.265 1326 P C 0.431 177.742 177.300 0.019 0.000 1.193 1326 P CA 0.921 64.026 63.100 0.009 0.000 0.765 1326 P CB 0.315 32.018 31.700 0.006 0.000 0.823 1327 G N 1.986 110.817 108.800 0.053 0.000 2.187 1327 G HA2 -0.330 3.638 3.960 0.012 0.000 0.261 1327 G HA3 -0.330 3.638 3.960 0.012 0.000 0.261 1327 G C 1.159 176.106 174.900 0.079 0.000 1.000 1327 G CA 0.827 45.974 45.100 0.077 0.000 0.718 1327 G HN 0.487 nan 8.290 nan 0.000 0.519 1328 T N -0.496 114.074 114.554 0.026 0.000 2.622 1328 T HA -0.144 4.213 4.350 0.012 0.000 0.266 1328 T C 1.945 176.566 174.700 -0.132 0.000 1.047 1328 T CA 2.075 64.115 62.100 -0.099 0.000 1.159 1328 T CB -0.261 68.455 68.868 -0.252 0.000 0.863 1328 T HN 0.504 nan 8.240 nan 0.000 0.422 1329 Y N 1.243 121.620 120.300 0.129 0.000 2.373 1329 Y HA 0.008 4.565 4.550 0.012 0.000 0.293 1329 Y C 2.524 178.491 175.900 0.113 0.000 1.129 1329 Y CA 0.561 58.736 58.100 0.126 0.000 1.226 1329 Y CB -0.237 38.292 38.460 0.116 0.000 1.000 1329 Y HN 0.203 nan 8.280 nan 0.000 0.549 1330 E N -0.692 119.638 120.200 0.217 0.000 2.051 1330 E HA -0.225 4.132 4.350 0.012 0.000 0.192 1330 E C 1.834 178.512 176.600 0.131 0.000 0.991 1330 E CA 1.326 57.821 56.400 0.157 0.000 0.799 1330 E CB -0.679 29.103 29.700 0.137 0.000 0.748 1330 E HN 0.540 nan 8.360 nan 0.000 0.449 1331 Y N 0.859 121.179 120.300 0.033 0.000 2.145 1331 Y HA -0.183 4.374 4.550 0.012 0.000 0.286 1331 Y C 1.847 177.756 175.900 0.015 0.000 1.145 1331 Y CA 1.469 59.578 58.100 0.015 0.000 1.148 1331 Y CB -0.225 38.232 38.460 -0.005 0.000 0.981 1331 Y HN -0.011 nan 8.280 nan 0.000 0.507 1332 L N -0.252 120.998 121.223 0.044 0.000 2.046 1332 L HA -0.239 4.108 4.340 0.012 0.000 0.208 1332 L C 2.215 179.054 176.870 -0.052 0.000 1.077 1332 L CA 1.865 56.695 54.840 -0.016 0.000 0.747 1332 L CB -0.628 41.473 42.059 0.070 0.000 0.896 1332 L HN 0.215 nan 8.230 nan 0.000 0.432 1333 D N -0.560 119.850 120.400 0.016 0.000 2.097 1333 D HA -0.245 4.402 4.640 0.012 0.000 0.195 1333 D C 2.177 178.440 176.300 -0.063 0.000 0.989 1333 D CA 1.259 55.267 54.000 0.013 0.000 0.827 1333 D CB 0.060 40.901 40.800 0.069 0.000 0.966 1333 D HN 0.260 nan 8.370 nan 0.000 0.456 1334 Q N 0.285 120.025 119.800 -0.099 0.000 1.985 1334 Q HA -0.195 4.152 4.340 0.012 0.000 0.207 1334 Q C 2.476 178.351 176.000 -0.208 0.000 0.996 1334 Q CA 2.499 58.219 55.803 -0.138 0.000 0.851 1334 Q CB -0.447 28.206 28.738 -0.143 0.000 0.921 1334 Q HN 0.585 nan 8.270 nan 0.000 0.418 1335 I N -1.721 118.635 120.570 -0.355 0.000 2.493 1335 I HA -0.119 4.059 4.170 0.012 0.000 0.254 1335 I C 1.633 177.604 176.117 -0.243 0.000 1.160 1335 I CA 1.547 62.655 61.300 -0.321 0.000 1.445 1335 I CB -0.471 37.266 38.000 -0.437 0.000 1.086 1335 I HN 0.083 nan 8.210 nan 0.000 0.433 1336 T N 0.896 115.319 114.554 -0.219 0.000 2.978 1336 T HA -0.076 4.282 4.350 0.012 0.000 0.262 1336 T C 1.833 176.396 174.700 -0.229 0.000 1.063 1336 T CA 1.303 63.263 62.100 -0.232 0.000 1.140 1336 T CB -0.095 68.694 68.868 -0.133 0.000 0.886 1336 T HN 0.409 nan 8.240 nan 0.000 0.470 1337 K N 1.273 121.583 120.400 -0.150 0.000 2.025 1337 K HA -0.126 4.202 4.320 0.012 0.000 0.207 1337 K C 2.487 179.003 176.600 -0.139 0.000 1.049 1337 K CA 1.191 57.410 56.287 -0.113 0.000 0.933 1337 K CB -0.046 32.417 32.500 -0.062 0.000 0.714 1337 K HN 0.032 nan 8.250 nan 0.000 0.438 1338 R N 1.260 121.672 120.500 -0.146 0.000 2.096 1338 R HA -0.120 4.227 4.340 0.012 0.000 0.240 1338 R C 2.260 178.446 176.300 -0.190 0.000 1.139 1338 R CA 1.617 57.633 56.100 -0.140 0.000 0.952 1338 R CB -0.744 29.477 30.300 -0.130 0.000 0.854 1338 R HN 0.360 nan 8.270 nan 0.000 0.436 1339 L N -0.311 120.749 121.223 -0.273 0.000 1.994 1339 L HA -0.170 4.177 4.340 0.012 0.000 0.208 1339 L C 2.301 178.911 176.870 -0.432 0.000 1.071 1339 L CA 2.193 56.791 54.840 -0.403 0.000 0.745 1339 L CB -0.749 40.947 42.059 -0.605 0.000 0.892 1339 L HN 0.457 nan 8.230 nan 0.000 0.431 1340 S N -0.224 115.231 115.700 -0.409 0.000 2.353 1340 S HA -0.233 4.244 4.470 0.012 0.000 0.222 1340 S C 1.566 176.075 174.600 -0.151 0.000 1.035 1340 S CA 1.907 59.941 58.200 -0.278 0.000 1.025 1340 S CB -0.275 62.824 63.200 -0.168 0.000 0.902 1340 S HN 0.498 nan 8.310 nan 0.000 0.440 1341 D N 0.626 120.955 120.400 -0.117 0.000 2.097 1341 D HA -0.028 4.619 4.640 0.012 0.000 0.195 1341 D C 2.140 178.393 176.300 -0.078 0.000 0.989 1341 D CA 1.320 55.280 54.000 -0.066 0.000 0.827 1341 D CB -1.166 39.601 40.800 -0.054 0.000 0.966 1341 D HN 0.535 nan 8.370 nan 0.000 0.456 1342 G N 0.779 109.506 108.800 -0.123 0.000 2.446 1342 G HA2 -0.240 3.727 3.960 0.012 0.000 0.217 1342 G HA3 -0.240 3.727 3.960 0.012 0.000 0.217 1342 G C 1.600 176.416 174.900 -0.140 0.000 1.168 1342 G CA 0.448 45.476 45.100 -0.121 0.000 0.771 1342 G HN 0.165 nan 8.290 nan 0.000 0.551 1343 L N 0.307 121.390 121.223 -0.234 0.000 2.046 1343 L HA 0.048 4.396 4.340 0.012 0.000 0.208 1343 L C 2.930 179.714 176.870 -0.143 0.000 1.077 1343 L CA 1.140 55.766 54.840 -0.357 0.000 0.747 1343 L CB -0.713 40.920 42.059 -0.711 0.000 0.896 1343 L HN 0.199 nan 8.230 nan 0.000 0.432 1344 L N -1.525 119.708 121.223 0.016 0.000 2.056 1344 L HA -0.183 4.164 4.340 0.012 0.000 0.207 1344 L C 2.618 179.537 176.870 0.082 0.000 1.078 1344 L CA 1.109 56.040 54.840 0.152 0.000 0.749 1344 L CB -0.778 41.351 42.059 0.116 0.000 0.901 1344 L HN 0.266 nan 8.230 nan 0.000 0.433 1345 A N 0.438 123.274 122.820 0.026 0.000 1.877 1345 A HA -0.190 4.137 4.320 0.012 0.000 0.216 1345 A C 2.214 179.818 177.584 0.034 0.000 1.186 1345 A CA 1.591 53.640 52.037 0.021 0.000 0.620 1345 A CB -0.702 18.296 19.000 -0.003 0.000 0.822 1345 A HN 0.352 nan 8.150 nan 0.000 0.443 1346 I N -0.256 120.327 120.570 0.022 0.000 2.286 1346 I HA -0.291 3.886 4.170 0.012 0.000 0.248 1346 I C 2.939 179.122 176.117 0.110 0.000 1.115 1346 I CA 0.995 62.320 61.300 0.043 0.000 1.392 1346 I CB -0.332 37.672 38.000 0.008 0.000 1.065 1346 I HN 0.377 nan 8.210 nan 0.000 0.418 1347 A N 0.118 123.028 122.820 0.150 0.000 1.877 1347 A HA -0.280 4.047 4.320 0.012 0.000 0.216 1347 A C 2.238 179.931 177.584 0.181 0.000 1.186 1347 A CA 1.843 54.032 52.037 0.253 0.000 0.620 1347 A CB -0.624 18.563 19.000 0.312 0.000 0.822 1347 A HN 0.380 nan 8.150 nan 0.000 0.443 1348 Q N -0.167 119.700 119.800 0.112 0.000 2.002 1348 Q HA -0.224 4.123 4.340 0.012 0.000 0.204 1348 Q C 2.040 178.068 176.000 0.046 0.000 0.988 1348 Q CA 2.338 58.181 55.803 0.065 0.000 0.843 1348 Q CB -0.354 28.412 28.738 0.046 0.000 0.908 1348 Q HN 0.756 nan 8.270 nan 0.000 0.420 1349 E N -1.157 119.071 120.200 0.047 0.000 2.130 1349 E HA -0.200 4.158 4.350 0.012 0.000 0.196 1349 E C 1.234 177.850 176.600 0.028 0.000 0.998 1349 E CA 1.760 58.179 56.400 0.032 0.000 0.806 1349 E CB -0.088 29.631 29.700 0.032 0.000 0.738 1349 E HN 0.601 nan 8.360 nan 0.000 0.459 1350 T N -3.292 111.299 114.554 0.062 0.000 3.129 1350 T HA 0.271 4.628 4.350 0.012 0.000 0.251 1350 T C 1.270 175.887 174.700 -0.138 0.000 1.117 1350 T CA 0.381 62.507 62.100 0.042 0.000 1.034 1350 T CB 0.504 69.499 68.868 0.212 0.000 0.968 1350 T HN 0.336 nan 8.240 nan 0.000 0.526 1351 G N 1.196 109.934 108.800 -0.103 0.000 2.147 1351 G HA2 -0.216 3.751 3.960 0.012 0.000 0.244 1351 G HA3 -0.216 3.751 3.960 0.012 0.000 0.244 1351 G C -0.315 174.427 174.900 -0.264 0.000 1.005 1351 G CA -0.081 44.911 45.100 -0.179 0.000 0.713 1351 G HN 0.765 nan 8.290 nan 0.000 0.515 1352 H N 0.186 119.300 119.070 0.073 0.000 2.459 1352 H HA 0.651 5.214 4.556 0.012 0.000 0.332 1352 H C 0.696 176.085 175.328 0.102 0.000 1.094 1352 H CA 0.044 56.154 56.048 0.103 0.000 1.224 1352 H CB 1.639 31.516 29.762 0.193 0.000 1.449 1352 H HN 0.557 nan 8.280 nan 0.000 0.484 1353 A N 2.750 125.683 122.820 0.189 0.000 2.488 1353 A HA 0.568 4.895 4.320 0.012 0.000 0.249 1353 A C -0.042 177.592 177.584 0.082 0.000 1.083 1353 A CA 0.507 52.605 52.037 0.102 0.000 0.768 1353 A CB -0.355 18.685 19.000 0.067 0.000 1.017 1353 A HN 0.830 nan 8.150 nan 0.000 0.496 1354 A N 1.144 123.949 122.820 -0.026 0.000 2.608 1354 A HA 0.721 5.048 4.320 0.012 0.000 0.292 1354 A C -0.463 177.018 177.584 -0.172 0.000 1.066 1354 A CA 0.019 51.918 52.037 -0.230 0.000 0.676 1354 A CB 0.604 19.342 19.000 -0.436 0.000 1.277 1354 A HN 2.563 nan 8.150 nan 0.000 0.413 1355 C N -0.906 118.255 119.300 -0.233 0.000 3.288 1355 C HA 1.084 5.551 4.460 0.012 0.000 0.318 1355 C C 0.260 175.269 174.990 0.033 0.000 1.356 1355 C CA 0.136 59.117 59.018 -0.062 0.000 1.359 1355 C CB 1.168 28.883 27.740 -0.042 0.000 1.688 1355 C HN 2.794 nan 8.230 nan 0.000 0.467 1356 G N -0.654 108.235 108.800 0.148 0.000 2.325 1356 G HA2 0.890 4.858 3.960 0.012 0.000 0.295 1356 G HA3 0.890 4.858 3.960 0.012 0.000 0.295 1356 G C -0.633 174.411 174.900 0.240 0.000 1.274 1356 G CA 0.256 45.518 45.100 0.270 0.000 0.857 1356 G HN 2.662 nan 8.290 nan 0.000 0.499 1357 G N -1.441 107.514 108.800 0.258 0.000 2.349 1357 G HA2 0.789 4.756 3.960 0.012 0.000 0.294 1357 G HA3 0.789 4.756 3.960 0.012 0.000 0.294 1357 G C -1.641 173.279 174.900 0.033 0.000 1.380 1357 G CA 0.628 45.859 45.100 0.218 0.000 0.811 1357 G HN 1.730 nan 8.290 nan 0.000 0.519 1358 Q N -1.725 118.092 119.800 0.029 0.000 2.435 1358 Q HA 0.749 5.096 4.340 0.012 0.000 0.282 1358 Q C -1.685 174.363 176.000 0.080 0.000 1.020 1358 Q CA -1.026 54.657 55.803 -0.201 0.000 0.820 1358 Q CB 2.316 30.977 28.738 -0.128 0.000 1.436 1358 Q HN 0.987 nan 8.270 nan 0.000 0.395 1359 V N 1.672 121.653 119.914 0.113 0.000 2.567 1359 V HA 0.690 4.817 4.120 0.012 0.000 0.298 1359 V C 0.106 176.298 176.094 0.164 0.000 1.047 1359 V CA 0.279 62.721 62.300 0.238 0.000 0.880 1359 V CB 0.919 32.980 31.823 0.398 0.000 1.009 1359 V HN 1.085 nan 8.190 nan 0.000 0.429 1360 S N 4.159 119.945 115.700 0.144 0.000 3.330 1360 S HA -0.189 4.288 4.470 0.012 0.000 0.630 1360 S C 1.307 175.983 174.600 0.127 0.000 2.776 1360 S CA 1.306 59.606 58.200 0.167 0.000 3.494 1360 S CB -1.116 62.229 63.200 0.241 0.000 0.291 1360 S HN 2.121 nan 8.310 nan 0.000 1.451 1361 G N 0.909 109.812 108.800 0.172 0.000 3.375 1361 G HA2 0.403 4.370 3.960 0.012 0.000 0.247 1361 G HA3 0.403 4.370 3.960 0.012 0.000 0.247 1361 G C -0.045 174.983 174.900 0.214 0.000 1.343 1361 G CA 0.610 45.805 45.100 0.159 0.000 1.368 1361 G HN 0.670 nan 8.290 nan 0.000 0.549 1362 M N 0.771 120.440 119.600 0.116 0.000 2.267 1362 M HA 0.661 5.149 4.480 0.012 0.000 0.289 1362 M C -1.499 174.534 176.300 -0.445 0.000 1.043 1362 M CA -1.153 54.119 55.300 -0.046 0.000 0.928 1362 M CB 1.800 34.490 32.600 0.151 0.000 1.613 1362 M HN 0.133 nan 8.290 nan 0.000 0.450 1363 F N 1.991 121.482 119.950 -0.765 0.000 2.664 1363 F HA 1.039 5.574 4.527 0.012 0.000 0.317 1363 F C -0.799 174.542 175.800 -0.765 0.000 1.108 1363 F CA -0.771 56.653 58.000 -0.961 0.000 0.957 1363 F CB 1.442 40.133 39.000 -0.516 0.000 1.365 1363 F HN 0.555 nan 8.300 nan 0.000 0.475 1364 G N 0.403 108.956 108.800 -0.411 0.000 2.696 1364 G HA2 0.617 4.584 3.960 0.012 0.000 0.295 1364 G HA3 0.617 4.584 3.960 0.012 0.000 0.295 1364 G C -2.764 172.131 174.900 -0.009 0.000 1.398 1364 G CA -0.820 44.128 45.100 -0.253 0.000 0.920 1364 G HN 0.871 nan 8.290 nan 0.000 0.492 1365 F N 1.520 121.209 119.950 -0.436 0.000 2.653 1365 F HA 0.726 5.260 4.527 0.012 0.000 0.327 1365 F C -1.817 173.650 175.800 -0.555 0.000 1.195 1365 F CA -1.602 56.200 58.000 -0.331 0.000 0.993 1365 F CB 1.264 40.130 39.000 -0.222 0.000 1.259 1365 F HN 0.330 nan 8.300 nan 0.000 0.478 1366 F N 5.367 124.877 119.950 -0.733 0.000 2.480 1366 F HA 0.458 4.992 4.527 0.012 0.000 0.329 1366 F C -0.430 174.874 175.800 -0.827 0.000 1.091 1366 F CA -0.809 56.820 58.000 -0.619 0.000 0.972 1366 F CB 1.334 40.132 39.000 -0.336 0.000 1.150 1366 F HN 0.284 nan 8.300 nan 0.000 0.467 1367 F N 1.759 121.585 119.950 -0.206 0.000 2.573 1367 F HA 0.382 4.917 4.527 0.012 0.000 0.349 1367 F C 0.404 176.145 175.800 -0.099 0.000 1.213 1367 F CA -0.043 57.836 58.000 -0.201 0.000 1.300 1367 F CB 0.320 39.256 39.000 -0.107 0.000 1.661 1367 F HN 0.397 nan 8.300 nan 0.000 0.616 1368 T N -0.024 114.538 114.554 0.014 0.000 3.087 1368 T HA 0.097 4.454 4.350 0.012 0.000 0.351 1368 T C 0.708 175.380 174.700 -0.048 0.000 1.520 1368 T CA -0.633 61.464 62.100 -0.004 0.000 1.111 1368 T CB 1.002 69.847 68.868 -0.038 0.000 1.353 1368 T HN 0.594 nan 8.240 nan 0.000 0.481 1369 E N 2.310 122.492 120.200 -0.030 0.000 2.204 1369 E HA 0.244 4.602 4.350 0.012 0.000 0.195 1369 E C 1.439 178.008 176.600 -0.052 0.000 0.990 1369 E CA 0.645 57.026 56.400 -0.032 0.000 0.821 1369 E CB -0.474 29.217 29.700 -0.016 0.000 0.750 1369 E HN 1.168 nan 8.360 nan 0.000 0.477 1370 G N 2.549 111.304 108.800 -0.075 0.000 2.582 1370 G HA2 -0.307 3.660 3.960 0.012 0.000 0.288 1370 G HA3 -0.307 3.660 3.960 0.012 0.000 0.288 1370 G C -1.862 173.015 174.900 -0.039 0.000 1.247 1370 G CA 0.319 45.363 45.100 -0.093 0.000 0.972 1370 G HN 0.416 nan 8.290 nan 0.000 0.557 1371 P HA 0.496 nan 4.420 nan 0.000 0.272 1371 P C -0.401 176.884 177.300 -0.025 0.000 1.240 1371 P CA -0.296 62.797 63.100 -0.012 0.000 0.791 1371 P CB 1.018 32.758 31.700 0.067 0.000 0.978 1372 V N 2.271 122.069 119.914 -0.193 0.000 2.350 1372 V HA 0.126 4.254 4.120 0.012 0.000 0.276 1372 V C 0.680 176.650 176.094 -0.207 0.000 1.028 1372 V CA 0.007 62.138 62.300 -0.281 0.000 0.860 1372 V CB 0.260 31.630 31.823 -0.755 0.000 0.990 1372 V HN 0.615 nan 8.190 nan 0.000 0.453 1373 H N 2.620 121.596 119.070 -0.158 0.000 2.885 1373 H HA 0.297 4.860 4.556 0.012 0.000 0.260 1373 H C 0.735 176.033 175.328 -0.050 0.000 0.985 1373 H CA 0.226 56.213 56.048 -0.101 0.000 1.210 1373 H CB 0.515 30.214 29.762 -0.105 0.000 1.466 1373 H HN 0.792 nan 8.280 nan 0.000 0.493 1374 N N -2.028 116.703 118.700 0.052 0.000 3.106 1374 N HA -0.078 4.669 4.740 0.012 0.000 0.253 1374 N C 0.016 175.572 175.510 0.077 0.000 1.506 1374 N CA -0.605 52.493 53.050 0.081 0.000 0.876 1374 N CB 1.033 39.583 38.487 0.105 0.000 1.452 1374 N HN -0.109 nan 8.380 nan 0.000 0.542 1375 Y N 0.508 120.800 120.300 -0.013 0.000 2.165 1375 Y HA -0.127 4.431 4.550 0.013 0.000 0.286 1375 Y C 2.348 178.237 175.900 -0.017 0.000 1.155 1375 Y CA 2.180 60.267 58.100 -0.021 0.000 1.164 1375 Y CB -0.253 38.188 38.460 -0.032 0.000 0.978 1375 Y HN 0.772 nan 8.280 nan 0.000 0.513 1376 E N -0.383 119.755 120.200 -0.104 0.000 2.077 1376 E HA -0.225 4.132 4.350 0.012 0.000 0.193 1376 E C 1.692 178.193 176.600 -0.165 0.000 0.989 1376 E CA 1.471 57.757 56.400 -0.190 0.000 0.800 1376 E CB -0.047 29.605 29.700 -0.079 0.000 0.746 1376 E HN 0.516 nan 8.360 nan 0.000 0.452 1377 D N 0.133 120.464 120.400 -0.114 0.000 2.097 1377 D HA -0.155 4.492 4.640 0.012 0.000 0.195 1377 D C 1.853 178.046 176.300 -0.178 0.000 0.989 1377 D CA 1.343 55.262 54.000 -0.134 0.000 0.827 1377 D CB -0.458 40.266 40.800 -0.127 0.000 0.966 1377 D HN 0.246 nan 8.370 nan 0.000 0.456 1378 A N 1.335 124.051 122.820 -0.174 0.000 1.948 1378 A HA -0.239 4.088 4.320 0.012 0.000 0.220 1378 A C 1.965 179.633 177.584 0.140 0.000 1.177 1378 A CA 1.553 53.548 52.037 -0.069 0.000 0.636 1378 A CB -0.495 18.654 19.000 0.247 0.000 0.815 1378 A HN 0.184 nan 8.150 nan 0.000 0.449 1379 K N -0.303 120.096 120.400 -0.001 0.000 2.442 1379 K HA -0.065 4.262 4.320 0.012 0.000 0.198 1379 K C 1.456 178.070 176.600 0.022 0.000 1.042 1379 K CA 1.000 57.302 56.287 0.024 0.000 0.958 1379 K CB -0.087 32.239 32.500 -0.291 0.000 0.766 1379 K HN 0.460 nan 8.250 nan 0.000 0.474 1380 K N 0.879 121.263 120.400 -0.028 0.000 2.432 1380 K HA 0.044 4.372 4.320 0.012 0.000 0.196 1380 K C 0.406 177.009 176.600 0.004 0.000 1.038 1380 K CA 0.058 56.330 56.287 -0.025 0.000 0.986 1380 K CB 0.204 32.672 32.500 -0.053 0.000 0.782 1380 K HN -0.039 nan 8.250 nan 0.000 0.485 1381 S N 1.885 117.598 115.700 0.022 0.000 2.563 1381 S HA -0.072 4.405 4.470 0.012 0.000 0.284 1381 S C 0.055 174.692 174.600 0.061 0.000 1.331 1381 S CA -0.185 58.044 58.200 0.047 0.000 1.047 1381 S CB 0.524 63.744 63.200 0.034 0.000 0.859 1381 S HN 0.164 nan 8.310 nan 0.000 0.514 1382 D N 2.323 122.784 120.400 0.102 0.000 2.435 1382 D HA 0.104 4.751 4.640 0.012 0.000 0.230 1382 D C 0.703 177.063 176.300 0.099 0.000 1.215 1382 D CA -0.397 53.647 54.000 0.074 0.000 0.947 1382 D CB 0.090 40.913 40.800 0.037 0.000 1.048 1382 D HN 0.186 nan 8.370 nan 0.000 0.512 1383 L N 3.234 124.506 121.223 0.081 0.000 2.191 1383 L HA -0.125 4.222 4.340 0.012 0.000 0.212 1383 L C 2.239 179.190 176.870 0.134 0.000 1.103 1383 L CA 1.208 56.113 54.840 0.108 0.000 0.769 1383 L CB -1.082 41.025 42.059 0.080 0.000 0.908 1383 L HN 0.446 nan 8.230 nan 0.000 0.438 1384 Q N 0.239 120.081 119.800 0.070 0.000 2.020 1384 Q HA -0.230 4.117 4.340 0.012 0.000 0.202 1384 Q C 2.362 178.363 176.000 0.002 0.000 0.982 1384 Q CA 1.929 57.755 55.803 0.039 0.000 0.838 1384 Q CB -0.142 28.605 28.738 0.015 0.000 0.899 1384 Q HN 0.378 nan 8.270 nan 0.000 0.423 1385 K N -0.977 119.376 120.400 -0.078 0.000 2.057 1385 K HA -0.179 4.149 4.320 0.012 0.000 0.207 1385 K C 1.994 178.453 176.600 -0.235 0.000 1.049 1385 K CA 1.366 57.484 56.287 -0.281 0.000 0.931 1385 K CB -0.418 31.735 32.500 -0.577 0.000 0.714 1385 K HN 0.287 nan 8.250 nan 0.000 0.440 1386 F N 1.248 121.136 119.950 -0.102 0.000 2.095 1386 F HA -0.254 4.280 4.527 0.012 0.000 0.298 1386 F C 2.545 178.468 175.800 0.205 0.000 1.104 1386 F CA 1.953 60.100 58.000 0.244 0.000 1.232 1386 F CB -0.746 38.394 39.000 0.232 0.000 0.987 1386 F HN 0.059 nan 8.300 nan 0.000 0.475 1387 S N 0.218 116.015 115.700 0.161 0.000 2.359 1387 S HA -0.233 4.244 4.470 0.012 0.000 0.224 1387 S C 2.256 176.846 174.600 -0.016 0.000 1.035 1387 S CA 1.648 59.879 58.200 0.053 0.000 1.018 1387 S CB -0.344 62.908 63.200 0.086 0.000 0.876 1387 S HN 0.484 nan 8.310 nan 0.000 0.448 1388 R N -0.784 119.707 120.500 -0.015 0.000 2.075 1388 R HA -0.042 4.305 4.340 0.012 0.000 0.232 1388 R C 2.153 178.432 176.300 -0.035 0.000 1.126 1388 R CA 1.544 57.629 56.100 -0.026 0.000 0.963 1388 R CB -0.628 29.648 30.300 -0.040 0.000 0.858 1388 R HN 0.553 nan 8.270 nan 0.000 0.435 1389 F N 1.546 121.372 119.950 -0.207 0.000 2.102 1389 F HA -0.259 4.276 4.527 0.012 0.000 0.298 1389 F C 2.537 178.200 175.800 -0.229 0.000 1.105 1389 F CA 1.779 59.672 58.000 -0.178 0.000 1.239 1389 F CB -0.597 38.389 39.000 -0.025 0.000 0.991 1389 F HN 0.083 nan 8.300 nan 0.000 0.474 1390 H N 0.316 119.050 119.070 -0.561 0.000 2.319 1390 H HA -0.189 4.374 4.556 0.012 0.000 0.299 1390 H C 2.416 177.492 175.328 -0.419 0.000 1.092 1390 H CA 2.060 57.711 56.048 -0.662 0.000 1.302 1390 H CB -0.209 29.144 29.762 -0.682 0.000 1.373 1390 H HN 0.184 nan 8.280 nan 0.000 0.497 1391 R N 0.562 120.992 120.500 -0.117 0.000 2.081 1391 R HA -0.046 4.302 4.340 0.012 0.000 0.235 1391 R C 2.751 178.922 176.300 -0.214 0.000 1.131 1391 R CA 1.658 57.720 56.100 -0.062 0.000 0.960 1391 R CB -1.217 29.102 30.300 0.032 0.000 0.856 1391 R HN 0.419 nan 8.270 nan 0.000 0.436 1392 G N 0.144 108.802 108.800 -0.236 0.000 2.440 1392 G HA2 -0.237 3.730 3.960 0.012 0.000 0.218 1392 G HA3 -0.237 3.730 3.960 0.012 0.000 0.218 1392 G C 1.311 176.008 174.900 -0.338 0.000 1.154 1392 G CA 0.987 45.942 45.100 -0.243 0.000 0.767 1392 G HN 0.207 nan 8.290 nan 0.000 0.552 1393 M N -0.260 119.041 119.600 -0.499 0.000 2.132 1393 M HA 0.070 4.558 4.480 0.012 0.000 0.263 1393 M C 2.504 178.593 176.300 -0.352 0.000 1.065 1393 M CA 0.710 55.716 55.300 -0.490 0.000 1.122 1393 M CB -1.092 31.060 32.600 -0.747 0.000 1.365 1393 M HN 0.238 nan 8.290 nan 0.000 0.411 1394 L N 0.915 121.907 121.223 -0.385 0.000 2.012 1394 L HA -0.188 4.159 4.340 0.012 0.000 0.210 1394 L C 2.111 178.735 176.870 -0.409 0.000 1.073 1394 L CA 1.945 56.666 54.840 -0.197 0.000 0.748 1394 L CB -0.686 41.293 42.059 -0.134 0.000 0.891 1394 L HN 0.339 nan 8.230 nan 0.000 0.431 1395 E N -1.482 118.296 120.200 -0.703 0.000 2.265 1395 E HA -0.241 4.116 4.350 0.012 0.000 0.196 1395 E C 1.694 178.010 176.600 -0.473 0.000 0.996 1395 E CA 0.635 56.460 56.400 -0.960 0.000 0.832 1395 E CB 0.020 29.355 29.700 -0.607 0.000 0.756 1395 E HN 0.406 nan 8.360 nan 0.000 0.491 1396 Q N -0.625 118.988 119.800 -0.312 0.000 2.320 1396 Q HA 0.117 4.464 4.340 0.012 0.000 0.201 1396 Q C 0.560 176.466 176.000 -0.157 0.000 0.910 1396 Q CA 0.558 56.244 55.803 -0.195 0.000 0.946 1396 Q CB 0.789 29.430 28.738 -0.163 0.000 1.062 1396 Q HN 0.292 nan 8.270 nan 0.000 0.503 1397 G N 0.257 108.957 108.800 -0.167 0.000 2.137 1397 G HA2 -0.183 3.785 3.960 0.012 0.000 0.237 1397 G HA3 -0.183 3.785 3.960 0.012 0.000 0.237 1397 G C -0.254 174.690 174.900 0.074 0.000 1.002 1397 G CA 0.107 45.119 45.100 -0.148 0.000 0.702 1397 G HN 0.228 nan 8.290 nan 0.000 0.515 1398 I N 0.171 120.823 120.570 0.136 0.000 2.406 1398 I HA 0.393 4.570 4.170 0.012 0.000 0.290 1398 I C -0.427 175.804 176.117 0.189 0.000 0.999 1398 I CA -1.816 59.590 61.300 0.177 0.000 1.124 1398 I CB 1.422 39.448 38.000 0.044 0.000 1.289 1398 I HN 0.134 nan 8.210 nan 0.000 0.441 1399 Y N 7.212 127.589 120.300 0.129 0.000 2.385 1399 Y HA 0.569 5.127 4.550 0.012 0.000 0.341 1399 Y C -0.777 175.182 175.900 0.097 0.000 0.965 1399 Y CA -0.294 57.808 58.100 0.004 0.000 1.180 1399 Y CB 0.894 39.329 38.460 -0.043 0.000 1.139 1399 Y HN 0.420 nan 8.280 nan 0.000 0.502 1400 L N 4.706 125.696 121.223 -0.389 0.000 2.322 1400 L HA 0.733 5.080 4.340 0.012 0.000 0.269 1400 L C 0.134 176.883 176.870 -0.202 0.000 1.012 1400 L CA -1.609 53.132 54.840 -0.165 0.000 0.815 1400 L CB 1.484 43.472 42.059 -0.118 0.000 1.295 1400 L HN 0.674 nan 8.230 nan 0.000 0.438 1401 A N 2.466 125.246 122.820 -0.067 0.000 2.566 1401 A HA 0.172 4.500 4.320 0.012 0.000 0.245 1401 A C -1.937 175.676 177.584 0.049 0.000 1.056 1401 A CA -0.623 51.403 52.037 -0.019 0.000 0.757 1401 A CB -0.610 18.439 19.000 0.081 0.000 0.979 1401 A HN 0.478 nan 8.150 nan 0.000 0.508 1402 P HA 0.110 nan 4.420 nan 0.000 0.228 1402 P C -0.390 176.754 177.300 -0.259 0.000 1.748 1402 P CA 0.477 63.133 63.100 -0.740 0.000 0.909 1402 P CB -0.228 30.738 31.700 -1.223 0.000 1.882 1403 S N 0.529 116.242 115.700 0.022 0.000 2.583 1403 S HA 0.137 4.614 4.470 0.012 0.000 0.294 1403 S C 0.632 174.897 174.600 -0.559 0.000 1.121 1403 S CA -0.427 57.702 58.200 -0.118 0.000 0.910 1403 S CB 1.460 64.643 63.200 -0.027 0.000 1.102 1403 S HN -0.001 nan 8.310 nan 0.000 0.451 1404 Q N 3.072 122.121 119.800 -1.252 0.000 2.291 1404 Q HA 0.201 4.548 4.340 0.012 0.000 0.205 1404 Q C 0.232 175.587 176.000 -1.075 0.000 0.970 1404 Q CA 1.852 56.632 55.803 -1.706 0.000 0.876 1404 Q CB -0.262 27.463 28.738 -1.689 0.000 0.935 1404 Q HN 0.775 nan 8.270 nan 0.000 0.455 1405 F N 0.608 120.382 119.950 -0.293 0.000 2.660 1405 F HA 0.349 4.883 4.527 0.012 0.000 0.297 1405 F C 0.051 175.783 175.800 -0.113 0.000 1.132 1405 F CA -0.336 57.589 58.000 -0.124 0.000 1.372 1405 F CB 0.475 39.459 39.000 -0.026 0.000 1.003 1405 F HN -0.138 nan 8.300 nan 0.000 0.524 1406 E N 0.993 121.160 120.200 -0.056 0.000 2.234 1406 E HA 0.547 4.905 4.350 0.012 0.000 0.266 1406 E C -0.363 176.149 176.600 -0.146 0.000 0.877 1406 E CA -0.593 55.820 56.400 0.022 0.000 0.758 1406 E CB 2.139 31.981 29.700 0.237 0.000 1.170 1406 E HN 0.080 nan 8.360 nan 0.000 0.415 1407 A N 2.047 124.751 122.820 -0.194 0.000 2.406 1407 A HA 0.580 4.908 4.320 0.012 0.000 0.243 1407 A C 0.637 177.659 177.584 -0.938 0.000 1.082 1407 A CA 0.409 52.150 52.037 -0.494 0.000 0.786 1407 A CB 0.326 19.128 19.000 -0.330 0.000 1.029 1407 A HN 0.532 nan 8.150 nan 0.000 0.495 1408 G N -0.971 106.987 108.800 -1.404 0.000 2.461 1408 G HA2 0.620 4.588 3.960 0.012 0.000 0.329 1408 G HA3 0.620 4.588 3.960 0.012 0.000 0.329 1408 G C -0.908 173.187 174.900 -1.342 0.000 1.170 1408 G CA -0.543 43.659 45.100 -1.496 0.000 0.935 1408 G HN 0.479 nan 8.290 nan 0.000 0.492 1409 F N -0.997 118.920 119.950 -0.055 0.000 2.588 1409 F HA 0.591 5.126 4.527 0.013 0.000 0.314 1409 F C 0.516 176.427 175.800 0.185 0.000 1.069 1409 F CA -0.743 57.312 58.000 0.092 0.000 0.931 1409 F CB 2.861 41.883 39.000 0.036 0.000 1.260 1409 F HN 0.337 nan 8.300 nan 0.000 0.465 1410 T N 0.751 115.464 114.554 0.266 0.000 2.932 1410 T HA 0.663 5.021 4.350 0.012 0.000 0.289 1410 T C -0.733 173.956 174.700 -0.018 0.000 1.039 1410 T CA -0.697 61.353 62.100 -0.084 0.000 1.024 1410 T CB 1.756 70.598 68.868 -0.044 0.000 1.090 1410 T HN 0.728 nan 8.240 nan 0.000 0.496 1411 S N 0.889 116.580 115.700 -0.015 0.000 2.661 1411 S HA 0.523 5.000 4.470 0.012 0.000 0.285 1411 S C 0.822 175.560 174.600 0.230 0.000 1.138 1411 S CA -0.934 57.361 58.200 0.158 0.000 0.855 1411 S CB 0.735 64.039 63.200 0.174 0.000 1.136 1411 S HN 0.543 nan 8.310 nan 0.000 0.484 1412 L N 0.719 122.034 121.223 0.152 0.000 2.362 1412 L HA 0.072 4.420 4.340 0.012 0.000 0.219 1412 L C 2.613 179.540 176.870 0.095 0.000 1.134 1412 L CA 1.228 56.154 54.840 0.144 0.000 0.807 1412 L CB -0.762 41.308 42.059 0.018 0.000 0.927 1412 L HN 0.913 nan 8.230 nan 0.000 0.447 1413 A N -1.697 121.170 122.820 0.078 0.000 2.081 1413 A HA -0.028 4.299 4.320 0.012 0.000 0.214 1413 A C 0.457 177.996 177.584 -0.076 0.000 1.158 1413 A CA 0.090 52.101 52.037 -0.043 0.000 0.724 1413 A CB -0.476 18.441 19.000 -0.139 0.000 0.826 1413 A HN 0.313 nan 8.150 nan 0.000 0.463 1414 H N 1.200 120.247 119.070 -0.038 0.000 2.886 1414 H HA 0.328 4.891 4.556 0.012 0.000 0.329 1414 H C 0.969 176.364 175.328 0.112 0.000 1.044 1414 H CA 1.116 57.139 56.048 -0.042 0.000 1.456 1414 H CB 0.626 30.372 29.762 -0.027 0.000 1.464 1414 H HN 0.373 nan 8.280 nan 0.000 0.573 1415 T N -0.457 114.190 114.554 0.155 0.000 2.936 1415 T HA 0.177 4.535 4.350 0.012 0.000 0.282 1415 T C 1.284 176.078 174.700 0.157 0.000 1.003 1415 T CA -0.946 61.269 62.100 0.190 0.000 1.005 1415 T CB 1.517 70.454 68.868 0.114 0.000 1.097 1415 T HN 0.543 nan 8.240 nan 0.000 0.532 1416 E N 0.312 120.595 120.200 0.139 0.000 2.118 1416 E HA -0.124 4.233 4.350 0.012 0.000 0.195 1416 E C 1.897 178.534 176.600 0.061 0.000 0.992 1416 E CA 1.521 57.965 56.400 0.073 0.000 0.804 1416 E CB -0.249 29.490 29.700 0.064 0.000 0.741 1416 E HN 0.804 nan 8.360 nan 0.000 0.458 1417 E N 0.396 120.639 120.200 0.072 0.000 2.110 1417 E HA -0.165 4.193 4.350 0.012 0.000 0.193 1417 E C 1.626 178.272 176.600 0.077 0.000 0.988 1417 E CA 1.335 57.772 56.400 0.062 0.000 0.804 1417 E CB -0.111 29.626 29.700 0.061 0.000 0.745 1417 E HN 0.286 nan 8.360 nan 0.000 0.458 1418 D N 0.289 120.753 120.400 0.107 0.000 2.117 1418 D HA -0.134 4.514 4.640 0.012 0.000 0.197 1418 D C 1.848 178.243 176.300 0.158 0.000 0.987 1418 D CA 0.782 54.865 54.000 0.139 0.000 0.829 1418 D CB -0.067 40.801 40.800 0.114 0.000 0.961 1418 D HN 0.129 nan 8.370 nan 0.000 0.460 1419 I N 1.724 122.371 120.570 0.128 0.000 2.179 1419 I HA -0.206 3.971 4.170 0.012 0.000 0.242 1419 I C 1.864 177.989 176.117 0.014 0.000 1.088 1419 I CA 1.243 62.585 61.300 0.069 0.000 1.357 1419 I CB -1.021 36.975 38.000 -0.005 0.000 1.051 1419 I HN -0.045 nan 8.210 nan 0.000 0.409 1420 D N 1.130 121.539 120.400 0.014 0.000 2.117 1420 D HA -0.118 4.529 4.640 0.012 0.000 0.197 1420 D C 2.257 178.557 176.300 -0.000 0.000 0.987 1420 D CA 1.608 55.605 54.000 -0.004 0.000 0.829 1420 D CB -0.040 40.761 40.800 0.002 0.000 0.961 1420 D HN 0.313 nan 8.370 nan 0.000 0.460 1421 A N 0.389 123.223 122.820 0.023 0.000 1.972 1421 A HA -0.150 4.177 4.320 0.012 0.000 0.219 1421 A C 2.345 179.937 177.584 0.014 0.000 1.169 1421 A CA 1.930 53.977 52.037 0.018 0.000 0.635 1421 A CB -0.714 18.307 19.000 0.034 0.000 0.810 1421 A HN 0.214 nan 8.150 nan 0.000 0.446 1422 T N 0.247 114.822 114.554 0.035 0.000 2.812 1422 T HA 0.006 4.363 4.350 0.012 0.000 0.264 1422 T C 1.785 176.442 174.700 -0.071 0.000 1.042 1422 T CA 1.244 63.348 62.100 0.006 0.000 1.140 1422 T CB -0.288 68.600 68.868 0.033 0.000 0.870 1422 T HN 0.366 nan 8.240 nan 0.000 0.445 1423 L N 0.779 121.956 121.223 -0.078 0.000 2.093 1423 L HA -0.010 4.337 4.340 0.012 0.000 0.208 1423 L C 3.062 179.900 176.870 -0.053 0.000 1.085 1423 L CA 1.013 55.800 54.840 -0.090 0.000 0.755 1423 L CB -0.667 41.339 42.059 -0.088 0.000 0.904 1423 L HN 0.241 nan 8.230 nan 0.000 0.435 1424 A N 0.224 123.021 122.820 -0.037 0.000 1.877 1424 A HA -0.186 4.141 4.320 0.012 0.000 0.216 1424 A C 2.539 180.105 177.584 -0.030 0.000 1.186 1424 A CA 1.801 53.822 52.037 -0.027 0.000 0.620 1424 A CB -0.696 18.291 19.000 -0.022 0.000 0.822 1424 A HN 0.393 nan 8.150 nan 0.000 0.443 1425 A N -0.191 122.605 122.820 -0.041 0.000 1.902 1425 A HA 0.168 4.495 4.320 0.012 0.000 0.217 1425 A C 2.515 180.070 177.584 -0.049 0.000 1.181 1425 A CA 2.108 54.110 52.037 -0.058 0.000 0.623 1425 A CB -1.040 17.915 19.000 -0.077 0.000 0.818 1425 A HN 1.061 nan 8.150 nan 0.000 0.443 1426 A N -0.276 122.520 122.820 -0.039 0.000 1.883 1426 A HA -0.198 4.129 4.320 0.012 0.000 0.217 1426 A C 2.263 179.886 177.584 0.065 0.000 1.186 1426 A CA 1.843 53.901 52.037 0.034 0.000 0.624 1426 A CB -0.557 18.430 19.000 -0.022 0.000 0.822 1426 A HN 0.553 nan 8.150 nan 0.000 0.444 1427 R N -0.959 119.553 120.500 0.021 0.000 2.083 1427 R HA -0.142 4.205 4.340 0.012 0.000 0.237 1427 R C 2.251 178.578 176.300 0.044 0.000 1.137 1427 R CA 2.169 58.290 56.100 0.034 0.000 0.951 1427 R CB -0.682 29.625 30.300 0.012 0.000 0.851 1427 R HN 0.512 nan 8.270 nan 0.000 0.434 1428 T N 0.347 114.912 114.554 0.019 0.000 2.684 1428 T HA -0.127 4.230 4.350 0.012 0.000 0.267 1428 T C 1.826 176.541 174.700 0.025 0.000 1.036 1428 T CA 1.618 63.725 62.100 0.012 0.000 1.148 1428 T CB -0.182 68.676 68.868 -0.016 0.000 0.863 1428 T HN 0.054 nan 8.240 nan 0.000 0.436 1429 V N 1.345 121.275 119.914 0.028 0.000 2.307 1429 V HA -0.138 3.990 4.120 0.012 0.000 0.245 1429 V C 2.491 178.652 176.094 0.112 0.000 1.045 1429 V CA 1.647 63.974 62.300 0.045 0.000 1.024 1429 V CB -0.545 31.285 31.823 0.012 0.000 0.651 1429 V HN 0.480 nan 8.190 nan 0.000 0.449 1430 M N -0.408 119.290 119.600 0.164 0.000 2.296 1430 M HA -0.129 4.358 4.480 0.012 0.000 0.265 1430 M C 2.338 178.773 176.300 0.224 0.000 1.064 1430 M CA 1.280 56.675 55.300 0.158 0.000 1.109 1430 M CB -0.392 32.322 32.600 0.189 0.000 1.396 1430 M HN 0.318 nan 8.290 nan 0.000 0.430 1431 S N 0.634 116.422 115.700 0.147 0.000 2.419 1431 S HA -0.072 4.405 4.470 0.012 0.000 0.235 1431 S C 1.543 176.210 174.600 0.111 0.000 1.019 1431 S CA 1.104 59.374 58.200 0.118 0.000 0.982 1431 S CB -0.238 63.001 63.200 0.066 0.000 0.789 1431 S HN 0.550 nan 8.310 nan 0.000 0.490 1432 A N 0.589 123.467 122.820 0.097 0.000 3.819 1432 A HA 0.627 4.954 4.320 0.012 0.000 0.178 1432 A C 0.636 178.280 177.584 0.099 0.000 1.817 1432 A CA -0.196 51.884 52.037 0.072 0.000 1.119 1432 A CB -0.848 18.174 19.000 0.038 0.000 1.166 1432 A HN 0.320 nan 8.150 nan 0.000 0.392 1433 L N 0.000 121.253 121.223 0.050 0.000 2.949 1433 L HA 0.000 4.347 4.340 0.012 0.000 0.249 1433 L CA 0.000 54.849 54.840 0.016 0.000 0.813 1433 L CB 0.000 41.995 42.059 -0.106 0.000 0.961 1433 L HN 0.000 nan 8.230 nan 0.000 0.502