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 2oec_1_A DATA FIRST_RESID 1002 DATA SEQUENCE SKSDVFHLGL TKNDLQGAQL AIVPGDPERV EKIAALMDKP VKLASHREFT DATA SEQUENCE SWRAELDGKA VIVCSTGIGG PSTSIAVEEL AQLGIRTFLR IGTTGAIQPH DATA SEQUENCE INVGDVLVTT ASVRLDGASL HFAPMEFPAV ADFACTTALV EAAKSIGATT DATA SEQUENCE HVGVTASSDT FYPGQERYDT YSGRVVRRFK GSMEEWQAMG VMNYEMESAT DATA SEQUENCE LLTMCASQGL RAGMVAGVIV NRTQQEIPNA ETMKQTESHA VKIVVEAARR DATA SEQUENCE LL 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 1002 S HA 0.000 nan 4.470 nan 0.000 0.327 1002 S C 0.000 174.578 174.600 -0.037 0.000 1.055 1002 S CA 0.000 58.174 58.200 -0.043 0.000 1.107 1002 S CB 0.000 63.173 63.200 -0.044 0.000 0.593 1003 K N 0.323 120.701 120.400 -0.037 0.000 5.261 1003 K HA -0.100 4.227 4.320 0.012 0.000 0.544 1003 K C -1.002 175.577 176.600 -0.034 0.000 1.225 1003 K CA 0.858 57.128 56.287 -0.028 0.000 1.394 1003 K CB -1.567 30.922 32.500 -0.017 0.000 1.786 1003 K HN 0.702 nan 8.250 nan 0.000 0.389 1004 S N 0.940 116.615 115.700 -0.043 0.000 2.533 1004 S HA 0.372 4.849 4.470 0.012 0.000 0.271 1004 S C -0.134 174.450 174.600 -0.026 0.000 1.143 1004 S CA -0.787 57.387 58.200 -0.044 0.000 0.891 1004 S CB 1.375 64.518 63.200 -0.096 0.000 1.105 1004 S HN 0.291 nan 8.310 nan 0.000 0.468 1005 D N 1.645 122.041 120.400 -0.008 0.000 2.339 1005 D HA 0.157 4.804 4.640 0.012 0.000 0.217 1005 D C 0.782 177.097 176.300 0.024 0.000 1.050 1005 D CA 0.841 54.846 54.000 0.009 0.000 0.856 1005 D CB 0.452 41.260 40.800 0.013 0.000 0.922 1005 D HN 0.478 nan 8.370 nan 0.000 0.518 1006 V N -2.866 117.059 119.914 0.018 0.000 3.040 1006 V HA 0.399 4.526 4.120 0.012 0.000 0.312 1006 V C 0.719 176.844 176.094 0.051 0.000 1.115 1006 V CA -1.055 61.279 62.300 0.057 0.000 0.998 1006 V CB 1.750 33.604 31.823 0.051 0.000 1.042 1006 V HN -0.166 nan 8.190 nan 0.000 0.433 1007 F N 0.823 120.750 119.950 -0.038 0.000 2.206 1007 F HA 0.076 4.610 4.527 0.012 0.000 0.298 1007 F C 1.896 177.521 175.800 -0.291 0.000 1.090 1007 F CA 2.402 60.302 58.000 -0.166 0.000 1.323 1007 F CB 0.061 38.939 39.000 -0.204 0.000 1.028 1007 F HN 0.832 nan 8.300 nan 0.000 0.492 1008 H N -1.396 117.652 119.070 -0.036 0.000 2.481 1008 H HA 0.224 4.787 4.556 0.012 0.000 0.291 1008 H C 2.110 177.371 175.328 -0.111 0.000 1.009 1008 H CA 0.953 56.947 56.048 -0.091 0.000 1.282 1008 H CB -0.314 29.416 29.762 -0.053 0.000 1.457 1008 H HN 0.094 nan 8.280 nan 0.000 0.525 1009 L N -0.235 120.980 121.223 -0.014 0.000 2.141 1009 L HA 0.064 4.411 4.340 0.012 0.000 0.209 1009 L C 1.164 178.104 176.870 0.117 0.000 1.094 1009 L CA 1.003 55.864 54.840 0.035 0.000 0.763 1009 L CB -0.472 41.574 42.059 -0.021 0.000 0.908 1009 L HN 0.593 nan 8.230 nan 0.000 0.437 1010 G N 0.975 109.744 108.800 -0.052 0.000 2.212 1010 G HA2 -0.249 3.718 3.960 0.012 0.000 0.255 1010 G HA3 -0.249 3.718 3.960 0.012 0.000 0.255 1010 G C -0.230 174.693 174.900 0.037 0.000 1.062 1010 G CA -0.080 44.965 45.100 -0.092 0.000 0.815 1010 G HN 0.220 nan 8.290 nan 0.000 0.497 1011 L N 0.081 121.316 121.223 0.019 0.000 2.341 1011 L HA 0.842 5.189 4.340 0.012 0.000 0.267 1011 L C 0.806 177.681 176.870 0.009 0.000 1.009 1011 L CA -0.538 54.317 54.840 0.026 0.000 0.819 1011 L CB 2.364 44.446 42.059 0.037 0.000 1.323 1011 L HN 0.388 nan 8.230 nan 0.000 0.425 1012 T N -3.036 111.522 114.554 0.007 0.000 2.949 1012 T HA 0.386 4.743 4.350 0.012 0.000 0.287 1012 T C 0.687 175.391 174.700 0.007 0.000 1.034 1012 T CA -0.873 61.229 62.100 0.004 0.000 1.018 1012 T CB 1.876 70.743 68.868 -0.001 0.000 1.135 1012 T HN 0.530 nan 8.240 nan 0.000 0.532 1013 K N 0.386 120.790 120.400 0.006 0.000 2.097 1013 K HA -0.136 4.191 4.320 0.012 0.000 0.206 1013 K C 2.073 178.675 176.600 0.002 0.000 1.049 1013 K CA 1.490 57.781 56.287 0.006 0.000 0.933 1013 K CB -0.411 32.093 32.500 0.006 0.000 0.717 1013 K HN 0.583 nan 8.250 nan 0.000 0.442 1014 N N 1.623 120.323 118.700 -0.000 0.000 2.149 1014 N HA -0.173 4.574 4.740 0.012 0.000 0.188 1014 N C 1.245 176.752 175.510 -0.004 0.000 1.019 1014 N CA 1.450 54.499 53.050 -0.003 0.000 0.857 1014 N CB -0.087 38.398 38.487 -0.005 0.000 0.997 1014 N HN 0.083 nan 8.380 nan 0.000 0.426 1015 D N -0.331 120.068 120.400 -0.003 0.000 2.149 1015 D HA -0.131 4.516 4.640 0.012 0.000 0.198 1015 D C 1.667 177.966 176.300 -0.001 0.000 0.990 1015 D CA 0.744 54.742 54.000 -0.005 0.000 0.839 1015 D CB -0.207 40.593 40.800 0.000 0.000 0.948 1015 D HN 0.252 nan 8.370 nan 0.000 0.460 1016 L N 0.434 121.658 121.223 0.002 0.000 2.217 1016 L HA -0.032 4.315 4.340 0.012 0.000 0.211 1016 L C 0.804 177.673 176.870 -0.002 0.000 1.107 1016 L CA 0.701 55.541 54.840 0.001 0.000 0.783 1016 L CB -0.375 41.683 42.059 -0.002 0.000 0.919 1016 L HN 0.001 nan 8.230 nan 0.000 0.442 1017 Q N -0.100 119.699 119.800 -0.003 0.000 2.453 1017 Q HA -0.272 4.075 4.340 0.012 0.000 0.294 1017 Q C 1.230 177.227 176.000 -0.005 0.000 1.295 1017 Q CA 0.940 56.741 55.803 -0.004 0.000 0.853 1017 Q CB -2.081 26.655 28.738 -0.002 0.000 1.193 1017 Q HN 0.691 nan 8.270 nan 0.000 0.461 1018 G N -2.092 106.704 108.800 -0.007 0.000 2.176 1018 G HA2 -0.278 3.689 3.960 0.012 0.000 0.253 1018 G HA3 -0.278 3.689 3.960 0.012 0.000 0.253 1018 G C 0.367 175.256 174.900 -0.017 0.000 0.979 1018 G CA 0.356 45.450 45.100 -0.010 0.000 0.641 1018 G HN 1.250 nan 8.290 nan 0.000 0.530 1019 A N -0.264 122.545 122.820 -0.019 0.000 2.531 1019 A HA 0.551 4.878 4.320 0.012 0.000 0.236 1019 A C 1.053 178.606 177.584 -0.052 0.000 1.062 1019 A CA 1.507 53.524 52.037 -0.032 0.000 0.760 1019 A CB 0.200 19.183 19.000 -0.027 0.000 0.995 1019 A HN 0.590 nan 8.150 nan 0.000 0.501 1020 Q N 0.561 120.318 119.800 -0.072 0.000 2.140 1020 Q HA 0.318 4.665 4.340 0.012 0.000 0.227 1020 Q C -0.541 175.359 176.000 -0.167 0.000 0.798 1020 Q CA -0.024 55.720 55.803 -0.099 0.000 0.987 1020 Q CB 0.776 29.474 28.738 -0.066 0.000 1.161 1020 Q HN 0.726 nan 8.270 nan 0.000 0.480 1021 L N 0.657 121.785 121.223 -0.159 0.000 2.386 1021 L HA 0.829 5.176 4.340 0.012 0.000 0.271 1021 L C -1.703 175.048 176.870 -0.198 0.000 0.993 1021 L CA -0.667 54.048 54.840 -0.207 0.000 0.819 1021 L CB 1.693 43.677 42.059 -0.124 0.000 1.294 1021 L HN -0.078 nan 8.230 nan 0.000 0.414 1022 A N 5.684 128.335 122.820 -0.281 0.000 2.355 1022 A HA 0.701 5.028 4.320 0.012 0.000 0.317 1022 A C -0.894 176.667 177.584 -0.039 0.000 1.094 1022 A CA -0.596 51.359 52.037 -0.138 0.000 0.764 1022 A CB 1.067 19.993 19.000 -0.124 0.000 1.230 1022 A HN 0.684 nan 8.150 nan 0.000 0.448 1023 I N 2.535 123.112 120.570 0.011 0.000 2.342 1023 I HA 0.352 4.529 4.170 0.012 0.000 0.291 1023 I C -0.289 175.874 176.117 0.077 0.000 1.010 1023 I CA -0.540 60.783 61.300 0.039 0.000 1.308 1023 I CB 1.661 39.670 38.000 0.015 0.000 1.400 1023 I HN 0.455 nan 8.210 nan 0.000 0.488 1024 V N 5.442 125.417 119.914 0.101 0.000 2.320 1024 V HA 0.461 4.588 4.120 0.012 0.000 0.268 1024 V C -2.591 173.551 176.094 0.080 0.000 1.021 1024 V CA -1.862 60.511 62.300 0.120 0.000 0.813 1024 V CB 0.363 32.297 31.823 0.184 0.000 1.054 1024 V HN 0.458 nan 8.190 nan 0.000 0.444 1025 P HA 0.340 nan 4.420 nan 0.000 0.278 1025 P C 0.948 178.270 177.300 0.036 0.000 1.266 1025 P CA 0.264 63.384 63.100 0.033 0.000 0.807 1025 P CB 1.885 33.592 31.700 0.012 0.000 1.094 1026 G N -0.377 108.433 108.800 0.016 0.000 2.408 1026 G HA2 -0.072 3.895 3.960 0.012 0.000 0.213 1026 G HA3 -0.072 3.895 3.960 0.012 0.000 0.213 1026 G C 0.286 175.179 174.900 -0.012 0.000 1.177 1026 G CA 0.410 45.513 45.100 0.005 0.000 0.802 1026 G HN 0.519 nan 8.290 nan 0.000 0.533 1027 D N 0.716 121.105 120.400 -0.019 0.000 2.343 1027 D HA 0.240 4.887 4.640 0.012 0.000 0.255 1027 D C -1.315 174.974 176.300 -0.019 0.000 1.187 1027 D CA -2.299 51.682 54.000 -0.030 0.000 0.875 1027 D CB 1.816 42.594 40.800 -0.036 0.000 1.136 1027 D HN -0.047 nan 8.370 nan 0.000 0.469 1028 P HA -0.162 nan 4.420 nan 0.000 0.216 1028 P C 0.990 178.293 177.300 0.006 0.000 1.150 1028 P CA 1.018 64.121 63.100 0.005 0.000 0.843 1028 P CB 0.226 31.919 31.700 -0.011 0.000 0.787 1029 E N -0.473 119.718 120.200 -0.016 0.000 2.347 1029 E HA -0.139 4.218 4.350 0.012 0.000 0.196 1029 E C 1.751 178.317 176.600 -0.056 0.000 1.008 1029 E CA 0.534 56.919 56.400 -0.025 0.000 0.852 1029 E CB -0.073 29.611 29.700 -0.027 0.000 0.783 1029 E HN 0.118 nan 8.360 nan 0.000 0.505 1030 R N -0.568 119.898 120.500 -0.057 0.000 2.276 1030 R HA 0.044 4.391 4.340 0.012 0.000 0.196 1030 R C 2.058 178.285 176.300 -0.122 0.000 0.961 1030 R CA 0.133 56.185 56.100 -0.079 0.000 1.024 1030 R CB 0.383 30.651 30.300 -0.052 0.000 0.940 1030 R HN 0.049 nan 8.270 nan 0.000 0.480 1031 V N 1.037 120.879 119.914 -0.119 0.000 2.261 1031 V HA -0.285 3.842 4.120 0.012 0.000 0.246 1031 V C 2.241 178.049 176.094 -0.476 0.000 1.047 1031 V CA 2.150 64.346 62.300 -0.175 0.000 1.015 1031 V CB -0.418 31.389 31.823 -0.027 0.000 0.642 1031 V HN 0.387 nan 8.190 nan 0.000 0.446 1032 E N 0.926 120.727 120.200 -0.666 0.000 2.097 1032 E HA -0.302 4.054 4.350 0.012 0.000 0.196 1032 E C 2.235 178.432 176.600 -0.672 0.000 1.000 1032 E CA 1.896 57.625 56.400 -1.118 0.000 0.804 1032 E CB -0.136 29.151 29.700 -0.688 0.000 0.740 1032 E HN 0.766 nan 8.360 nan 0.000 0.454 1033 K N 0.055 120.232 120.400 -0.371 0.000 2.228 1033 K HA -0.063 4.263 4.320 0.012 0.000 0.202 1033 K C 2.045 178.524 176.600 -0.201 0.000 1.051 1033 K CA 1.135 57.277 56.287 -0.241 0.000 0.960 1033 K CB -0.117 32.292 32.500 -0.153 0.000 0.743 1033 K HN 0.211 nan 8.250 nan 0.000 0.458 1034 I N 2.017 122.467 120.570 -0.201 0.000 2.233 1034 I HA -0.156 4.021 4.170 0.012 0.000 0.243 1034 I C 2.656 178.685 176.117 -0.147 0.000 1.093 1034 I CA 0.992 62.208 61.300 -0.140 0.000 1.380 1034 I CB -0.330 37.609 38.000 -0.102 0.000 1.067 1034 I HN 0.258 nan 8.210 nan 0.000 0.413 1035 A N 0.798 123.485 122.820 -0.222 0.000 2.024 1035 A HA -0.147 4.180 4.320 0.012 0.000 0.220 1035 A C 2.429 179.927 177.584 -0.143 0.000 1.164 1035 A CA 1.703 53.639 52.037 -0.169 0.000 0.643 1035 A CB -0.682 18.176 19.000 -0.237 0.000 0.806 1035 A HN 0.443 nan 8.150 nan 0.000 0.451 1036 A N -0.616 122.083 122.820 -0.202 0.000 2.121 1036 A HA 0.149 4.476 4.320 0.012 0.000 0.218 1036 A C 1.793 179.329 177.584 -0.080 0.000 1.154 1036 A CA 0.911 52.867 52.037 -0.136 0.000 0.679 1036 A CB -0.401 18.504 19.000 -0.158 0.000 0.795 1036 A HN 0.471 nan 8.150 nan 0.000 0.458 1037 L N -1.136 120.040 121.223 -0.079 0.000 2.591 1037 L HA 0.175 4.522 4.340 0.012 0.000 0.228 1037 L C 0.748 177.594 176.870 -0.039 0.000 1.133 1037 L CA 0.064 54.869 54.840 -0.057 0.000 0.880 1037 L CB -0.353 41.669 42.059 -0.061 0.000 1.033 1037 L HN 0.442 nan 8.230 nan 0.000 0.450 1038 M N -1.531 118.051 119.600 -0.030 0.000 2.852 1038 M HA 0.338 4.825 4.480 0.012 0.000 0.301 1038 M C -0.802 175.502 176.300 0.006 0.000 1.229 1038 M CA -0.817 54.477 55.300 -0.010 0.000 0.832 1038 M CB 1.566 34.165 32.600 -0.002 0.000 1.726 1038 M HN -0.194 nan 8.290 nan 0.000 0.497 1039 D N 1.588 121.997 120.400 0.014 0.000 2.210 1039 D HA 0.181 4.828 4.640 0.012 0.000 0.249 1039 D C -0.391 175.934 176.300 0.042 0.000 1.062 1039 D CA 0.038 54.052 54.000 0.022 0.000 0.891 1039 D CB 0.870 41.679 40.800 0.014 0.000 1.186 1039 D HN 0.359 nan 8.370 nan 0.000 0.432 1040 K N -0.245 120.183 120.400 0.047 0.000 3.278 1040 K HA -0.126 4.201 4.320 0.012 0.000 0.270 1040 K C -2.377 174.284 176.600 0.100 0.000 0.955 1040 K CA 0.209 56.532 56.287 0.060 0.000 0.723 1040 K CB -2.086 30.438 32.500 0.039 0.000 1.382 1040 K HN 0.435 nan 8.250 nan 0.000 0.461 1041 P HA 0.294 nan 4.420 nan 0.000 0.271 1041 P C -0.241 177.265 177.300 0.343 0.000 1.218 1041 P CA -0.338 62.938 63.100 0.292 0.000 0.780 1041 P CB 1.504 33.386 31.700 0.302 0.000 0.901 1042 V N 2.318 122.393 119.914 0.269 0.000 2.891 1042 V HA 0.281 4.408 4.120 0.012 0.000 0.304 1042 V C -0.503 175.189 176.094 -0.670 0.000 1.171 1042 V CA -1.082 61.110 62.300 -0.179 0.000 0.943 1042 V CB 2.244 33.998 31.823 -0.115 0.000 1.037 1042 V HN 0.540 nan 8.190 nan 0.000 0.427 1043 K N 4.879 124.449 120.400 -1.383 0.000 2.368 1043 K HA 0.373 4.700 4.320 0.012 0.000 0.282 1043 K C 0.261 176.487 176.600 -0.623 0.000 1.035 1043 K CA -0.201 55.175 56.287 -1.518 0.000 0.973 1043 K CB 0.985 32.681 32.500 -1.339 0.000 0.957 1043 K HN 0.754 nan 8.250 nan 0.000 0.474 1044 L N 2.713 123.690 121.223 -0.410 0.000 2.262 1044 L HA 0.300 4.647 4.340 0.012 0.000 0.197 1044 L C 0.586 177.379 176.870 -0.128 0.000 1.073 1044 L CA 0.257 54.988 54.840 -0.181 0.000 0.800 1044 L CB 0.151 42.169 42.059 -0.069 0.000 0.987 1044 L HN 0.745 nan 8.230 nan 0.000 0.470 1045 A N -1.222 121.536 122.820 -0.103 0.000 2.601 1045 A HA 0.640 4.967 4.320 0.012 0.000 0.291 1045 A C -1.228 176.293 177.584 -0.104 0.000 1.075 1045 A CA -0.300 51.691 52.037 -0.077 0.000 0.671 1045 A CB 1.741 20.794 19.000 0.089 0.000 1.277 1045 A HN -0.129 nan 8.150 nan 0.000 0.417 1046 S N 0.468 115.975 115.700 -0.321 0.000 2.720 1046 S HA 0.649 5.126 4.470 0.012 0.000 0.278 1046 S C -1.798 172.479 174.600 -0.539 0.000 1.172 1046 S CA -0.488 57.568 58.200 -0.240 0.000 1.019 1046 S CB 0.383 63.507 63.200 -0.127 0.000 1.049 1046 S HN 0.728 nan 8.310 nan 0.000 0.483 1047 H N 3.727 122.873 119.070 0.127 0.000 2.877 1047 H HA 0.522 5.085 4.556 0.011 0.000 0.347 1047 H C 0.484 175.905 175.328 0.155 0.000 1.042 1047 H CA -0.542 55.581 56.048 0.125 0.000 1.276 1047 H CB 1.477 31.316 29.762 0.129 0.000 1.681 1047 H HN 0.777 nan 8.280 nan 0.000 0.521 1048 R N 0.549 121.147 120.500 0.163 0.000 3.815 1048 R HA -0.217 4.130 4.340 0.012 0.000 0.470 1048 R C 1.017 177.248 176.300 -0.115 0.000 0.241 1048 R CA 1.725 57.840 56.100 0.025 0.000 1.481 1048 R CB -0.764 29.568 30.300 0.054 0.000 0.988 1048 R HN 0.760 nan 8.270 nan 0.000 0.570 1049 E N 1.959 121.923 120.200 -0.394 0.000 2.445 1049 E HA 0.007 4.364 4.350 0.012 0.000 0.189 1049 E C -0.275 176.071 176.600 -0.423 0.000 1.069 1049 E CA 0.664 56.809 56.400 -0.425 0.000 0.871 1049 E CB 0.078 29.485 29.700 -0.488 0.000 0.991 1049 E HN 0.309 nan 8.360 nan 0.000 0.481 1050 F N 1.583 121.582 119.950 0.081 0.000 2.291 1050 F HA 0.312 4.845 4.527 0.010 0.000 0.368 1050 F C 0.157 176.012 175.800 0.092 0.000 1.085 1050 F CA -0.638 57.419 58.000 0.095 0.000 1.165 1050 F CB 1.403 40.479 39.000 0.127 0.000 1.429 1050 F HN -0.326 nan 8.300 nan 0.000 0.503 1051 T N 2.099 116.786 114.554 0.222 0.000 2.767 1051 T HA 0.557 4.914 4.350 0.012 0.000 0.284 1051 T C -0.185 174.668 174.700 0.253 0.000 0.973 1051 T CA -0.690 61.528 62.100 0.196 0.000 0.996 1051 T CB 1.039 70.012 68.868 0.176 0.000 0.927 1051 T HN 0.513 nan 8.240 nan 0.000 0.456 1052 S N 2.158 118.003 115.700 0.240 0.000 2.526 1052 S HA 0.801 5.278 4.470 0.012 0.000 0.293 1052 S C -1.655 173.107 174.600 0.270 0.000 1.092 1052 S CA -1.013 57.339 58.200 0.252 0.000 0.980 1052 S CB 1.374 64.673 63.200 0.165 0.000 1.048 1052 S HN 0.666 nan 8.310 nan 0.000 0.483 1053 W N 0.856 122.173 121.300 0.027 0.000 2.950 1053 W HA 0.659 5.326 4.660 0.011 0.000 0.340 1053 W C 0.082 176.607 176.519 0.010 0.000 1.139 1053 W CA -0.757 56.596 57.345 0.014 0.000 1.188 1053 W CB 1.959 31.424 29.460 0.009 0.000 1.426 1053 W HN 0.778 nan 8.180 nan 0.000 0.531 1054 R N 1.626 122.245 120.500 0.198 0.000 2.664 1054 R HA 0.914 5.261 4.340 0.012 0.000 0.286 1054 R C -0.782 175.616 176.300 0.163 0.000 0.967 1054 R CA -0.419 55.761 56.100 0.133 0.000 0.933 1054 R CB 1.545 31.877 30.300 0.054 0.000 1.146 1054 R HN 0.626 nan 8.270 nan 0.000 0.468 1055 A N 2.499 125.386 122.820 0.111 0.000 2.588 1055 A HA 0.467 4.794 4.320 0.012 0.000 0.290 1055 A C -1.608 176.005 177.584 0.049 0.000 1.136 1055 A CA -0.806 51.288 52.037 0.094 0.000 0.681 1055 A CB 1.660 20.718 19.000 0.097 0.000 1.282 1055 A HN 0.738 nan 8.150 nan 0.000 0.421 1056 E N -0.646 119.575 120.200 0.036 0.000 2.227 1056 E HA 0.602 4.959 4.350 0.012 0.000 0.268 1056 E C -1.831 174.775 176.600 0.009 0.000 0.907 1056 E CA -0.728 55.683 56.400 0.018 0.000 0.786 1056 E CB 2.464 32.173 29.700 0.016 0.000 1.191 1056 E HN 0.366 nan 8.360 nan 0.000 0.411 1057 L N 3.097 124.320 121.223 0.001 0.000 2.446 1057 L HA 0.277 4.624 4.340 0.012 0.000 0.268 1057 L C -1.139 175.727 176.870 -0.007 0.000 0.975 1057 L CA -0.127 54.710 54.840 -0.005 0.000 0.848 1057 L CB 1.090 43.143 42.059 -0.010 0.000 1.225 1057 L HN 0.503 nan 8.230 nan 0.000 0.410 1058 D N 4.316 124.712 120.400 -0.006 0.000 2.751 1058 D HA -0.207 4.440 4.640 0.012 0.000 0.233 1058 D C 1.089 177.386 176.300 -0.005 0.000 1.149 1058 D CA 1.573 55.569 54.000 -0.007 0.000 0.682 1058 D CB -1.017 39.778 40.800 -0.009 0.000 1.068 1058 D HN 1.213 nan 8.370 nan 0.000 0.429 1059 G N -0.893 107.905 108.800 -0.003 0.000 2.175 1059 G HA2 -0.335 3.632 3.960 0.012 0.000 0.244 1059 G HA3 -0.335 3.632 3.960 0.012 0.000 0.244 1059 G C 0.192 175.091 174.900 -0.002 0.000 0.982 1059 G CA 0.576 45.675 45.100 -0.001 0.000 0.641 1059 G HN 0.481 nan 8.290 nan 0.000 0.527 1060 K N 0.383 120.781 120.400 -0.004 0.000 2.259 1060 K HA 0.762 5.089 4.320 0.012 0.000 0.252 1060 K C 0.396 176.994 176.600 -0.004 0.000 0.936 1060 K CA -0.122 56.161 56.287 -0.006 0.000 0.810 1060 K CB 2.082 34.576 32.500 -0.011 0.000 1.143 1060 K HN 0.553 nan 8.250 nan 0.000 0.427 1061 A N 2.061 124.878 122.820 -0.005 0.000 2.488 1061 A HA 0.374 4.701 4.320 0.012 0.000 0.249 1061 A C -0.370 177.210 177.584 -0.007 0.000 1.083 1061 A CA -0.185 51.851 52.037 -0.001 0.000 0.768 1061 A CB 0.148 19.147 19.000 -0.001 0.000 1.017 1061 A HN 0.409 nan 8.150 nan 0.000 0.496 1062 V N 4.233 124.150 119.914 0.004 0.000 2.789 1062 V HA 0.364 4.491 4.120 0.012 0.000 0.311 1062 V C -0.401 175.704 176.094 0.019 0.000 1.073 1062 V CA -0.663 61.635 62.300 -0.003 0.000 0.921 1062 V CB 1.875 33.695 31.823 -0.005 0.000 1.009 1062 V HN 0.753 nan 8.190 nan 0.000 0.426 1063 I N 3.863 124.437 120.570 0.007 0.000 2.437 1063 I HA 0.497 4.674 4.170 0.012 0.000 0.298 1063 I C -0.285 175.865 176.117 0.055 0.000 0.984 1063 I CA -0.500 60.825 61.300 0.041 0.000 1.214 1063 I CB 1.871 39.886 38.000 0.024 0.000 1.365 1063 I HN 0.259 nan 8.210 nan 0.000 0.469 1064 V N 5.325 125.302 119.914 0.105 0.000 2.409 1064 V HA 0.406 4.533 4.120 0.012 0.000 0.291 1064 V C -0.406 175.776 176.094 0.146 0.000 1.020 1064 V CA -0.473 61.887 62.300 0.099 0.000 0.848 1064 V CB 2.041 33.903 31.823 0.065 0.000 0.990 1064 V HN 0.912 nan 8.190 nan 0.000 0.430 1065 C N 5.063 124.446 119.300 0.137 0.000 2.551 1065 C HA 0.718 5.185 4.460 0.012 0.000 0.332 1065 C C 0.458 175.552 174.990 0.174 0.000 1.139 1065 C CA -0.396 58.727 59.018 0.175 0.000 1.328 1065 C CB 1.142 28.987 27.740 0.176 0.000 1.903 1065 C HN 1.022 nan 8.230 nan 0.000 0.459 1066 S N 3.257 119.068 115.700 0.185 0.000 2.592 1066 S HA 0.421 4.898 4.470 0.012 0.000 0.271 1066 S C 0.898 175.637 174.600 0.231 0.000 1.326 1066 S CA 0.333 58.623 58.200 0.150 0.000 1.024 1066 S CB 1.359 64.611 63.200 0.087 0.000 0.921 1066 S HN 1.050 nan 8.310 nan 0.000 0.527 1067 T N -1.696 112.952 114.554 0.156 0.000 2.990 1067 T HA 0.515 4.872 4.350 0.012 0.000 0.250 1067 T C 1.140 175.878 174.700 0.064 0.000 1.041 1067 T CA 0.268 62.490 62.100 0.203 0.000 1.010 1067 T CB -0.885 68.056 68.868 0.122 0.000 1.003 1067 T HN 1.902 nan 8.240 nan 0.000 0.499 1068 G N 1.583 110.356 108.800 -0.045 0.000 2.860 1068 G HA2 -0.141 3.826 3.960 0.012 0.000 0.553 1068 G HA3 -0.141 3.826 3.960 0.012 0.000 0.553 1068 G C -0.516 174.353 174.900 -0.051 0.000 1.439 1068 G CA -0.532 44.503 45.100 -0.110 0.000 0.879 1068 G HN 0.644 nan 8.290 nan 0.000 0.545 1069 I N 2.511 123.045 120.570 -0.060 0.000 2.421 1069 I HA 0.478 4.655 4.170 0.012 0.000 0.291 1069 I C 1.149 177.253 176.117 -0.022 0.000 1.089 1069 I CA 1.493 62.770 61.300 -0.038 0.000 1.354 1069 I CB 0.010 37.979 38.000 -0.053 0.000 1.413 1069 I HN 1.741 nan 8.210 nan 0.000 0.513 1070 G N 3.894 112.690 108.800 -0.006 0.000 2.484 1070 G HA2 -0.032 3.935 3.960 0.012 0.000 0.685 1070 G HA3 -0.032 3.935 3.960 0.012 0.000 0.685 1070 G C 0.463 175.366 174.900 0.005 0.000 1.294 1070 G CA -0.504 44.596 45.100 0.000 0.000 0.879 1070 G HN 0.774 nan 8.290 nan 0.000 0.646 1071 G N 0.264 109.065 108.800 0.002 0.000 2.442 1071 G HA2 0.083 4.050 3.960 0.012 0.000 0.219 1071 G HA3 0.083 4.050 3.960 0.012 0.000 0.219 1071 G C 0.067 174.970 174.900 0.005 0.000 1.141 1071 G CA 2.087 47.187 45.100 -0.000 0.000 0.763 1071 G HN 0.646 nan 8.290 nan 0.000 0.554 1072 P HA -0.095 nan 4.420 nan 0.000 0.214 1072 P C 2.428 179.753 177.300 0.042 0.000 1.162 1072 P CA 2.308 65.407 63.100 -0.002 0.000 0.879 1072 P CB -0.180 31.515 31.700 -0.009 0.000 0.786 1073 S N -2.329 113.415 115.700 0.074 0.000 2.436 1073 S HA -0.062 4.415 4.470 0.012 0.000 0.228 1073 S C 1.897 176.638 174.600 0.234 0.000 1.014 1073 S CA 1.373 59.692 58.200 0.199 0.000 0.950 1073 S CB -1.841 61.431 63.200 0.120 0.000 0.784 1073 S HN 0.057 nan 8.310 nan 0.000 0.504 1074 T N 3.283 117.903 114.554 0.109 0.000 2.684 1074 T HA -0.132 4.225 4.350 0.012 0.000 0.267 1074 T C 2.319 177.012 174.700 -0.012 0.000 1.036 1074 T CA 1.970 64.103 62.100 0.056 0.000 1.148 1074 T CB -0.754 68.114 68.868 -0.000 0.000 0.863 1074 T HN 0.792 nan 8.240 nan 0.000 0.436 1075 S N 1.118 116.814 115.700 -0.006 0.000 2.399 1075 S HA -0.023 4.454 4.470 0.012 0.000 0.231 1075 S C 2.068 176.659 174.600 -0.015 0.000 1.022 1075 S CA 0.769 58.965 58.200 -0.007 0.000 0.983 1075 S CB -0.723 62.565 63.200 0.148 0.000 0.803 1075 S HN 0.507 nan 8.310 nan 0.000 0.480 1076 I N 2.013 122.559 120.570 -0.040 0.000 2.233 1076 I HA -0.056 4.121 4.170 0.012 0.000 0.243 1076 I C 3.103 179.083 176.117 -0.228 0.000 1.093 1076 I CA 1.039 62.242 61.300 -0.162 0.000 1.380 1076 I CB -0.664 37.145 38.000 -0.318 0.000 1.067 1076 I HN 0.420 nan 8.210 nan 0.000 0.413 1077 A N 0.408 123.098 122.820 -0.217 0.000 1.902 1077 A HA -0.149 4.178 4.320 0.012 0.000 0.217 1077 A C 2.413 179.956 177.584 -0.069 0.000 1.181 1077 A CA 1.730 53.648 52.037 -0.199 0.000 0.623 1077 A CB -0.929 18.089 19.000 0.029 0.000 0.818 1077 A HN 0.244 nan 8.150 nan 0.000 0.443 1078 V N 0.081 119.918 119.914 -0.129 0.000 2.358 1078 V HA -0.218 3.909 4.120 0.012 0.000 0.246 1078 V C 2.618 178.624 176.094 -0.147 0.000 1.047 1078 V CA 2.374 64.497 62.300 -0.295 0.000 1.035 1078 V CB -0.675 30.776 31.823 -0.620 0.000 0.658 1078 V HN 0.758 nan 8.190 nan 0.000 0.452 1079 E N 0.954 121.094 120.200 -0.100 0.000 2.051 1079 E HA -0.238 4.119 4.350 0.012 0.000 0.192 1079 E C 2.074 178.695 176.600 0.035 0.000 0.991 1079 E CA 1.928 58.321 56.400 -0.012 0.000 0.799 1079 E CB -0.273 29.447 29.700 0.033 0.000 0.748 1079 E HN 0.679 nan 8.360 nan 0.000 0.449 1080 E N -0.189 120.020 120.200 0.014 0.000 2.152 1080 E HA -0.069 4.288 4.350 0.012 0.000 0.192 1080 E C 2.249 178.885 176.600 0.061 0.000 0.983 1080 E CA 0.754 57.174 56.400 0.033 0.000 0.818 1080 E CB -0.072 29.629 29.700 0.002 0.000 0.758 1080 E HN 0.307 nan 8.360 nan 0.000 0.467 1081 L N 0.691 121.974 121.223 0.099 0.000 2.093 1081 L HA -0.139 4.208 4.340 0.012 0.000 0.208 1081 L C 2.574 179.547 176.870 0.172 0.000 1.085 1081 L CA 0.893 55.824 54.840 0.151 0.000 0.755 1081 L CB -0.387 41.830 42.059 0.264 0.000 0.904 1081 L HN 0.129 nan 8.230 nan 0.000 0.435 1082 A N -0.432 122.538 122.820 0.250 0.000 1.902 1082 A HA -0.247 4.080 4.320 0.012 0.000 0.217 1082 A C 2.209 179.857 177.584 0.107 0.000 1.181 1082 A CA 1.458 53.623 52.037 0.214 0.000 0.623 1082 A CB -0.460 18.669 19.000 0.215 0.000 0.818 1082 A HN 0.465 nan 8.150 nan 0.000 0.443 1083 Q N -0.549 119.303 119.800 0.086 0.000 2.135 1083 Q HA -0.120 4.227 4.340 0.012 0.000 0.204 1083 Q C 1.831 177.860 176.000 0.048 0.000 0.981 1083 Q CA 1.418 57.257 55.803 0.060 0.000 0.856 1083 Q CB -0.334 28.437 28.738 0.055 0.000 0.902 1083 Q HN 0.679 nan 8.270 nan 0.000 0.425 1084 L N -1.436 119.816 121.223 0.049 0.000 2.478 1084 L HA 0.032 4.379 4.340 0.012 0.000 0.223 1084 L C 1.341 178.223 176.870 0.019 0.000 1.140 1084 L CA 0.723 55.583 54.840 0.032 0.000 0.842 1084 L CB 0.152 42.230 42.059 0.032 0.000 0.953 1084 L HN 0.476 nan 8.230 nan 0.000 0.452 1085 G N -0.935 107.878 108.800 0.022 0.000 2.318 1085 G HA2 -0.155 3.812 3.960 0.012 0.000 0.172 1085 G HA3 -0.155 3.812 3.960 0.012 0.000 0.172 1085 G C 0.231 175.115 174.900 -0.026 0.000 1.002 1085 G CA -0.704 44.398 45.100 0.004 0.000 0.697 1085 G HN 0.011 nan 8.290 nan 0.000 0.483 1086 I N 1.356 121.896 120.570 -0.050 0.000 2.648 1086 I HA 0.313 4.490 4.170 0.012 0.000 0.284 1086 I C 1.278 177.290 176.117 -0.174 0.000 1.153 1086 I CA 0.363 61.544 61.300 -0.198 0.000 1.426 1086 I CB 0.981 38.758 38.000 -0.372 0.000 1.381 1086 I HN 0.101 nan 8.210 nan 0.000 0.571 1087 R N 2.861 123.225 120.500 -0.225 0.000 2.517 1087 R HA 0.205 4.552 4.340 0.012 0.000 0.265 1087 R C -0.228 176.024 176.300 -0.080 0.000 0.921 1087 R CA 0.190 56.251 56.100 -0.065 0.000 1.054 1087 R CB 0.621 30.907 30.300 -0.024 0.000 1.340 1087 R HN 0.543 nan 8.270 nan 0.000 0.551 1088 T N 1.107 115.476 114.554 -0.308 0.000 2.881 1088 T HA 0.608 4.964 4.350 0.012 0.000 0.290 1088 T C -1.136 173.300 174.700 -0.441 0.000 1.000 1088 T CA -0.287 61.697 62.100 -0.193 0.000 0.978 1088 T CB 1.421 70.223 68.868 -0.110 0.000 0.997 1088 T HN -0.171 nan 8.240 nan 0.000 0.443 1089 F N 2.426 122.372 119.950 -0.006 0.000 2.518 1089 F HA 0.566 5.101 4.527 0.014 0.000 0.323 1089 F C -0.318 175.477 175.800 -0.008 0.000 1.129 1089 F CA -1.045 56.951 58.000 -0.007 0.000 0.920 1089 F CB 1.406 40.398 39.000 -0.014 0.000 1.160 1089 F HN 0.201 nan 8.300 nan 0.000 0.440 1090 L N 4.264 125.566 121.223 0.132 0.000 2.318 1090 L HA 0.504 4.851 4.340 0.012 0.000 0.277 1090 L C -0.047 176.871 176.870 0.080 0.000 1.008 1090 L CA -0.647 54.240 54.840 0.079 0.000 0.846 1090 L CB 1.635 43.712 42.059 0.029 0.000 1.220 1090 L HN 0.608 nan 8.230 nan 0.000 0.423 1091 R N 4.212 124.755 120.500 0.072 0.000 2.390 1091 R HA 0.477 4.824 4.340 0.012 0.000 0.291 1091 R C -0.880 175.440 176.300 0.032 0.000 1.070 1091 R CA -0.360 55.772 56.100 0.054 0.000 1.014 1091 R CB 1.177 31.502 30.300 0.041 0.000 1.007 1091 R HN 0.503 nan 8.270 nan 0.000 0.466 1092 I N 4.226 124.812 120.570 0.026 0.000 2.466 1092 I HA 0.579 4.756 4.170 0.012 0.000 0.289 1092 I C -0.868 175.257 176.117 0.013 0.000 1.026 1092 I CA -0.115 61.195 61.300 0.016 0.000 1.078 1092 I CB 1.344 39.349 38.000 0.009 0.000 1.249 1092 I HN 0.873 nan 8.210 nan 0.000 0.429 1093 G N 4.931 113.738 108.800 0.013 0.000 2.949 1093 G HA2 0.741 4.708 3.960 0.012 0.000 0.285 1093 G HA3 0.741 4.708 3.960 0.012 0.000 0.285 1093 G C -1.011 173.897 174.900 0.013 0.000 1.395 1093 G CA -0.381 44.726 45.100 0.012 0.000 0.901 1093 G HN 0.626 nan 8.290 nan 0.000 0.519 1094 T N -2.851 111.712 114.554 0.015 0.000 2.940 1094 T HA 0.785 5.142 4.350 0.012 0.000 0.288 1094 T C -0.437 174.280 174.700 0.028 0.000 1.045 1094 T CA -0.760 61.351 62.100 0.018 0.000 1.018 1094 T CB 2.054 70.931 68.868 0.016 0.000 1.151 1094 T HN 0.889 nan 8.240 nan 0.000 0.529 1095 T N -0.924 113.646 114.554 0.027 0.000 2.840 1095 T HA 0.621 4.978 4.350 0.012 0.000 0.317 1095 T C -0.732 173.983 174.700 0.025 0.000 1.401 1095 T CA -0.443 61.675 62.100 0.030 0.000 1.028 1095 T CB 1.296 70.171 68.868 0.011 0.000 1.317 1095 T HN 1.152 nan 8.240 nan 0.000 0.495 1096 G N 1.722 110.542 108.800 0.034 0.000 2.347 1096 G HA2 0.638 4.605 3.960 0.012 0.000 0.314 1096 G HA3 0.638 4.605 3.960 0.012 0.000 0.314 1096 G C 0.088 174.990 174.900 0.004 0.000 1.126 1096 G CA -0.136 44.976 45.100 0.021 0.000 0.929 1096 G HN 0.983 nan 8.290 nan 0.000 0.441 1097 A N 2.263 125.061 122.820 -0.037 0.000 2.371 1097 A HA 0.554 4.881 4.320 0.012 0.000 0.257 1097 A C 1.063 178.604 177.584 -0.071 0.000 1.089 1097 A CA -0.450 51.533 52.037 -0.089 0.000 0.794 1097 A CB 0.303 19.215 19.000 -0.146 0.000 1.029 1097 A HN 1.281 nan 8.150 nan 0.000 0.488 1098 I N -2.190 118.317 120.570 -0.105 0.000 4.081 1098 I HA 0.258 4.435 4.170 0.012 0.000 0.333 1098 I C -0.268 175.802 176.117 -0.078 0.000 1.413 1098 I CA -0.315 60.947 61.300 -0.062 0.000 1.110 1098 I CB 0.229 38.194 38.000 -0.058 0.000 1.082 1098 I HN 0.322 nan 8.210 nan 0.000 0.402 1099 Q N 1.929 121.634 119.800 -0.159 0.000 2.293 1099 Q HA 0.392 4.739 4.340 0.012 0.000 0.261 1099 Q C -1.972 173.903 176.000 -0.209 0.000 0.960 1099 Q CA -1.919 53.774 55.803 -0.183 0.000 0.882 1099 Q CB 1.994 30.530 28.738 -0.337 0.000 1.275 1099 Q HN -0.018 nan 8.270 nan 0.000 0.445 1100 P HA -0.186 nan 4.420 nan 0.000 0.216 1100 P C 0.995 178.270 177.300 -0.042 0.000 1.150 1100 P CA 1.473 64.553 63.100 -0.033 0.000 0.837 1100 P CB 0.045 31.765 31.700 0.032 0.000 0.786 1101 H N -1.423 117.633 119.070 -0.023 0.000 2.559 1101 H HA 0.094 4.656 4.556 0.011 0.000 0.273 1101 H C 0.461 175.774 175.328 -0.024 0.000 1.000 1101 H CA 0.145 56.191 56.048 -0.004 0.000 1.195 1101 H CB -0.664 29.110 29.762 0.020 0.000 1.368 1101 H HN 0.145 nan 8.280 nan 0.000 0.592 1102 I N 3.030 123.278 120.570 -0.537 0.000 2.342 1102 I HA 0.065 4.242 4.170 0.012 0.000 0.291 1102 I C -0.153 175.850 176.117 -0.191 0.000 1.010 1102 I CA -0.482 60.530 61.300 -0.480 0.000 1.308 1102 I CB 0.944 38.516 38.000 -0.714 0.000 1.400 1102 I HN 0.099 nan 8.210 nan 0.000 0.488 1103 N N 5.058 123.722 118.700 -0.060 0.000 2.487 1103 N HA 0.205 4.952 4.740 0.012 0.000 0.292 1103 N C -0.510 174.985 175.510 -0.026 0.000 1.108 1103 N CA -0.516 52.520 53.050 -0.023 0.000 0.956 1103 N CB 2.492 40.989 38.487 0.017 0.000 1.176 1103 N HN 0.315 nan 8.380 nan 0.000 0.484 1104 V N 1.535 121.434 119.914 -0.025 0.000 2.617 1104 V HA 0.261 4.388 4.120 0.012 0.000 0.304 1104 V C 1.319 177.401 176.094 -0.020 0.000 1.040 1104 V CA 1.770 64.058 62.300 -0.021 0.000 1.149 1104 V CB -0.196 31.619 31.823 -0.014 0.000 0.914 1104 V HN 1.007 nan 8.190 nan 0.000 0.487 1105 G N 4.331 113.117 108.800 -0.023 0.000 2.232 1105 G HA2 -0.194 3.773 3.960 0.012 0.000 0.226 1105 G HA3 -0.194 3.773 3.960 0.012 0.000 0.226 1105 G C -0.055 174.816 174.900 -0.048 0.000 0.996 1105 G CA 0.183 45.256 45.100 -0.045 0.000 0.626 1105 G HN 0.801 nan 8.290 nan 0.000 0.509 1106 D N -0.181 120.217 120.400 -0.004 0.000 2.371 1106 D HA 0.550 5.197 4.640 0.012 0.000 0.242 1106 D C 0.425 176.757 176.300 0.053 0.000 1.218 1106 D CA 0.055 54.084 54.000 0.049 0.000 0.945 1106 D CB 1.576 42.472 40.800 0.159 0.000 1.137 1106 D HN 0.229 nan 8.370 nan 0.000 0.464 1107 V N 1.193 121.160 119.914 0.090 0.000 2.604 1107 V HA 0.394 4.521 4.120 0.012 0.000 0.305 1107 V C -0.360 175.798 176.094 0.107 0.000 1.043 1107 V CA -0.759 61.585 62.300 0.073 0.000 0.888 1107 V CB 1.554 33.410 31.823 0.056 0.000 0.995 1107 V HN 0.282 nan 8.190 nan 0.000 0.429 1108 L N 4.876 126.140 121.223 0.069 0.000 2.333 1108 L HA 0.650 4.997 4.340 0.012 0.000 0.280 1108 L C -0.783 176.111 176.870 0.040 0.000 1.004 1108 L CA -0.828 54.052 54.840 0.066 0.000 0.820 1108 L CB 2.004 44.077 42.059 0.023 0.000 1.247 1108 L HN 0.315 nan 8.230 nan 0.000 0.416 1109 V N 1.777 121.716 119.914 0.042 0.000 2.370 1109 V HA 0.299 4.426 4.120 0.012 0.000 0.283 1109 V C 0.241 176.345 176.094 0.018 0.000 1.023 1109 V CA -0.403 61.910 62.300 0.021 0.000 0.857 1109 V CB 1.804 33.634 31.823 0.012 0.000 0.985 1109 V HN 0.738 nan 8.190 nan 0.000 0.443 1110 T N 3.336 117.895 114.554 0.008 0.000 2.743 1110 T HA 0.185 4.542 4.350 0.012 0.000 0.293 1110 T C 1.332 176.036 174.700 0.007 0.000 0.945 1110 T CA 0.202 62.303 62.100 0.001 0.000 1.030 1110 T CB 1.135 69.998 68.868 -0.008 0.000 0.912 1110 T HN 0.965 nan 8.240 nan 0.000 0.483 1111 T N 0.562 115.122 114.554 0.011 0.000 2.978 1111 T HA 0.471 4.828 4.350 0.012 0.000 0.262 1111 T C 0.698 175.406 174.700 0.014 0.000 1.063 1111 T CA 0.291 62.404 62.100 0.021 0.000 1.140 1111 T CB 0.146 69.032 68.868 0.030 0.000 0.886 1111 T HN 0.786 nan 8.240 nan 0.000 0.470 1112 A N -0.163 122.656 122.820 -0.002 0.000 2.583 1112 A HA 0.647 4.974 4.320 0.012 0.000 0.292 1112 A C -1.058 176.507 177.584 -0.032 0.000 1.045 1112 A CA -0.839 51.192 52.037 -0.010 0.000 0.672 1112 A CB 1.045 20.038 19.000 -0.012 0.000 1.283 1112 A HN 0.191 nan 8.150 nan 0.000 0.419 1113 S N -0.229 115.450 115.700 -0.036 0.000 2.513 1113 S HA 0.594 5.071 4.470 0.012 0.000 0.299 1113 S C -0.344 174.202 174.600 -0.089 0.000 1.087 1113 S CA -0.555 57.604 58.200 -0.069 0.000 1.012 1113 S CB 1.706 64.874 63.200 -0.053 0.000 1.044 1113 S HN 0.992 nan 8.310 nan 0.000 0.485 1114 V N 3.414 123.223 119.914 -0.175 0.000 2.485 1114 V HA 0.137 4.264 4.120 0.012 0.000 0.287 1114 V C 0.625 176.637 176.094 -0.137 0.000 1.022 1114 V CA 0.113 62.278 62.300 -0.226 0.000 1.067 1114 V CB -0.288 31.208 31.823 -0.545 0.000 0.967 1114 V HN 0.693 nan 8.190 nan 0.000 0.479 1115 R N 5.398 125.871 120.500 -0.045 0.000 2.893 1115 R HA 0.300 4.647 4.340 0.012 0.000 0.243 1115 R C 0.021 176.354 176.300 0.055 0.000 1.481 1115 R CA -0.104 56.007 56.100 0.017 0.000 1.250 1115 R CB -0.038 30.297 30.300 0.059 0.000 1.213 1115 R HN 0.673 nan 8.270 nan 0.000 0.609 1116 L N 2.300 123.556 121.223 0.055 0.000 2.928 1116 L HA 0.144 4.491 4.340 0.012 0.000 0.236 1116 L C 0.216 177.167 176.870 0.135 0.000 1.290 1116 L CA -0.270 54.664 54.840 0.157 0.000 1.099 1116 L CB -0.805 41.380 42.059 0.210 0.000 1.437 1116 L HN 0.507 nan 8.230 nan 0.000 0.493 1117 D N -1.428 119.031 120.400 0.099 0.000 2.553 1117 D HA 0.328 4.975 4.640 0.012 0.000 0.249 1117 D C 0.676 177.029 176.300 0.089 0.000 1.062 1117 D CA -0.380 53.667 54.000 0.078 0.000 1.085 1117 D CB 1.902 42.732 40.800 0.050 0.000 1.350 1117 D HN -0.066 nan 8.370 nan 0.000 0.575 1118 G N -1.113 107.726 108.800 0.065 0.000 2.724 1118 G HA2 0.244 4.211 3.960 0.012 0.000 0.205 1118 G HA3 0.244 4.211 3.960 0.012 0.000 0.205 1118 G C 1.276 176.197 174.900 0.036 0.000 1.112 1118 G CA 0.600 45.744 45.100 0.074 0.000 0.793 1118 G HN 0.615 nan 8.290 nan 0.000 0.526 1119 A N 1.796 124.591 122.820 -0.042 0.000 1.972 1119 A HA -0.015 4.312 4.320 0.012 0.000 0.219 1119 A C 2.680 180.360 177.584 0.161 0.000 1.169 1119 A CA 2.417 54.390 52.037 -0.106 0.000 0.635 1119 A CB -0.673 18.305 19.000 -0.037 0.000 0.810 1119 A HN 0.711 nan 8.150 nan 0.000 0.446 1120 S N 0.369 116.175 115.700 0.176 0.000 2.383 1120 S HA -0.139 4.338 4.470 0.012 0.000 0.229 1120 S C 1.753 176.509 174.600 0.260 0.000 1.030 1120 S CA 1.516 59.857 58.200 0.235 0.000 1.002 1120 S CB -0.830 62.452 63.200 0.137 0.000 0.829 1120 S HN 0.458 nan 8.310 nan 0.000 0.467 1121 L N 0.541 121.896 121.223 0.219 0.000 2.353 1121 L HA -0.051 4.296 4.340 0.012 0.000 0.220 1121 L C 2.140 179.090 176.870 0.134 0.000 1.133 1121 L CA 1.100 56.044 54.840 0.173 0.000 0.798 1121 L CB -0.714 41.442 42.059 0.161 0.000 0.922 1121 L HN 0.356 nan 8.230 nan 0.000 0.445 1122 H N -1.872 117.150 119.070 -0.081 0.000 2.555 1122 H HA 0.028 4.590 4.556 0.010 0.000 0.269 1122 H C 1.175 176.142 175.328 -0.601 0.000 0.988 1122 H CA 0.808 56.654 56.048 -0.337 0.000 1.178 1122 H CB 0.066 29.559 29.762 -0.448 0.000 1.373 1122 H HN 0.262 nan 8.280 nan 0.000 0.588 1123 F N -1.336 118.627 119.950 0.021 0.000 2.747 1123 F HA 0.569 5.102 4.527 0.010 0.000 0.305 1123 F C 0.835 176.529 175.800 -0.177 0.000 1.065 1123 F CA 0.300 58.252 58.000 -0.079 0.000 1.230 1123 F CB 0.910 39.852 39.000 -0.098 0.000 1.027 1123 F HN 0.025 nan 8.300 nan 0.000 0.607 1124 A N 0.492 123.316 122.820 0.006 0.000 2.589 1124 A HA 0.619 4.946 4.320 0.012 0.000 0.296 1124 A C -2.822 174.770 177.584 0.013 0.000 1.062 1124 A CA -1.396 50.570 52.037 -0.119 0.000 0.686 1124 A CB 0.716 19.432 19.000 -0.474 0.000 1.282 1124 A HN -0.179 nan 8.150 nan 0.000 0.404 1125 P HA 0.117 nan 4.420 nan 0.000 0.272 1125 P C 0.807 178.182 177.300 0.125 0.000 1.240 1125 P CA -0.227 62.915 63.100 0.071 0.000 0.791 1125 P CB 0.475 32.215 31.700 0.067 0.000 0.978 1126 M N 1.352 121.014 119.600 0.104 0.000 2.267 1126 M HA -0.173 4.314 4.480 0.012 0.000 0.263 1126 M C 1.478 177.854 176.300 0.125 0.000 1.063 1126 M CA 1.891 57.259 55.300 0.113 0.000 1.090 1126 M CB -1.335 31.316 32.600 0.086 0.000 1.392 1126 M HN 0.293 nan 8.290 nan 0.000 0.422 1127 E N -0.828 119.445 120.200 0.122 0.000 2.204 1127 E HA -0.098 4.259 4.350 0.012 0.000 0.195 1127 E C 0.276 176.954 176.600 0.129 0.000 0.990 1127 E CA 0.620 57.084 56.400 0.106 0.000 0.821 1127 E CB -0.454 29.301 29.700 0.092 0.000 0.750 1127 E HN 0.491 nan 8.360 nan 0.000 0.477 1128 F N 2.161 122.132 119.950 0.034 0.000 2.484 1128 F HA 0.172 4.702 4.527 0.005 0.000 0.360 1128 F C -2.011 173.807 175.800 0.030 0.000 1.101 1128 F CA -2.799 55.221 58.000 0.033 0.000 1.251 1128 F CB 0.623 39.648 39.000 0.042 0.000 1.132 1128 F HN -0.133 nan 8.300 nan 0.000 0.570 1129 P HA 0.184 nan 4.420 nan 0.000 0.287 1129 P C -1.285 176.036 177.300 0.034 0.000 1.281 1129 P CA -0.420 62.602 63.100 -0.130 0.000 0.781 1129 P CB 1.245 32.799 31.700 -0.243 0.000 0.903 1130 A N 4.070 126.942 122.820 0.087 0.000 3.026 1130 A HA 0.271 4.598 4.320 0.012 0.000 0.272 1130 A C 0.257 177.867 177.584 0.044 0.000 1.782 1130 A CA -0.250 51.845 52.037 0.097 0.000 1.451 1130 A CB -0.952 18.085 19.000 0.061 0.000 1.081 1130 A HN 0.474 nan 8.150 nan 0.000 0.611 1131 V N 1.895 121.835 119.914 0.044 0.000 2.547 1131 V HA 0.736 4.863 4.120 0.012 0.000 0.299 1131 V C 0.551 176.671 176.094 0.044 0.000 1.040 1131 V CA -0.270 62.042 62.300 0.020 0.000 0.913 1131 V CB 1.522 33.335 31.823 -0.017 0.000 0.992 1131 V HN 0.935 nan 8.190 nan 0.000 0.449 1132 A N 4.187 127.031 122.820 0.041 0.000 2.351 1132 A HA 0.417 4.744 4.320 0.012 0.000 0.257 1132 A C 0.058 177.685 177.584 0.073 0.000 1.087 1132 A CA -0.161 51.906 52.037 0.049 0.000 0.798 1132 A CB 0.191 19.212 19.000 0.034 0.000 1.033 1132 A HN 1.060 nan 8.150 nan 0.000 0.488 1133 D N 0.463 120.908 120.400 0.076 0.000 2.455 1133 D HA 0.036 4.683 4.640 0.012 0.000 0.241 1133 D C 0.657 177.025 176.300 0.114 0.000 1.138 1133 D CA 0.101 54.161 54.000 0.100 0.000 0.877 1133 D CB 0.140 40.991 40.800 0.085 0.000 1.187 1133 D HN 0.394 nan 8.370 nan 0.000 0.451 1134 F N 4.069 124.029 119.950 0.016 0.000 2.134 1134 F HA -0.076 4.458 4.527 0.011 0.000 0.299 1134 F C 2.027 177.834 175.800 0.011 0.000 1.097 1134 F CA 1.676 59.682 58.000 0.010 0.000 1.264 1134 F CB -0.449 38.555 39.000 0.007 0.000 1.001 1134 F HN 0.481 nan 8.300 nan 0.000 0.479 1135 A N -0.315 122.482 122.820 -0.038 0.000 1.883 1135 A HA -0.225 4.102 4.320 0.012 0.000 0.217 1135 A C 2.368 179.853 177.584 -0.165 0.000 1.186 1135 A CA 1.886 53.840 52.037 -0.140 0.000 0.624 1135 A CB -1.683 17.320 19.000 0.006 0.000 0.822 1135 A HN 0.576 nan 8.150 nan 0.000 0.444 1136 C N -1.198 118.053 119.300 -0.081 0.000 2.429 1136 C HA -0.075 4.392 4.460 0.012 0.000 0.277 1136 C C 3.039 177.971 174.990 -0.096 0.000 1.262 1136 C CA 1.500 60.481 59.018 -0.061 0.000 1.733 1136 C CB -1.565 26.171 27.740 -0.006 0.000 2.010 1136 C HN 0.647 nan 8.230 nan 0.000 0.483 1137 T N 0.653 115.134 114.554 -0.121 0.000 2.746 1137 T HA -0.162 4.195 4.350 0.012 0.000 0.267 1137 T C 1.810 176.393 174.700 -0.195 0.000 1.039 1137 T CA 2.161 64.186 62.100 -0.125 0.000 1.142 1137 T CB -0.516 68.298 68.868 -0.089 0.000 0.866 1137 T HN 0.600 nan 8.240 nan 0.000 0.444 1138 T N 2.050 116.384 114.554 -0.367 0.000 2.684 1138 T HA -0.075 4.282 4.350 0.012 0.000 0.267 1138 T C 2.399 176.982 174.700 -0.195 0.000 1.036 1138 T CA 1.249 63.132 62.100 -0.363 0.000 1.148 1138 T CB -0.615 67.899 68.868 -0.589 0.000 0.863 1138 T HN 0.441 nan 8.240 nan 0.000 0.436 1139 A N 1.196 123.918 122.820 -0.163 0.000 1.883 1139 A HA -0.044 4.283 4.320 0.012 0.000 0.217 1139 A C 2.323 179.865 177.584 -0.071 0.000 1.186 1139 A CA 1.393 53.372 52.037 -0.096 0.000 0.624 1139 A CB -0.913 18.042 19.000 -0.076 0.000 0.822 1139 A HN 0.484 nan 8.150 nan 0.000 0.444 1140 L N -0.736 120.446 121.223 -0.067 0.000 2.056 1140 L HA -0.148 4.198 4.340 0.012 0.000 0.207 1140 L C 2.538 179.386 176.870 -0.037 0.000 1.078 1140 L CA 1.014 55.829 54.840 -0.041 0.000 0.749 1140 L CB -0.543 41.498 42.059 -0.031 0.000 0.901 1140 L HN 0.248 nan 8.230 nan 0.000 0.433 1141 V N -0.504 119.379 119.914 -0.052 0.000 2.295 1141 V HA -0.251 3.876 4.120 0.012 0.000 0.246 1141 V C 2.490 178.562 176.094 -0.037 0.000 1.049 1141 V CA 1.659 63.934 62.300 -0.042 0.000 1.024 1141 V CB -0.386 31.406 31.823 -0.052 0.000 0.648 1141 V HN 0.351 nan 8.190 nan 0.000 0.447 1142 E N 0.457 120.628 120.200 -0.048 0.000 2.077 1142 E HA -0.150 4.207 4.350 0.012 0.000 0.193 1142 E C 2.264 178.848 176.600 -0.027 0.000 0.989 1142 E CA 1.553 57.930 56.400 -0.037 0.000 0.800 1142 E CB -0.731 28.943 29.700 -0.045 0.000 0.746 1142 E HN 0.544 nan 8.360 nan 0.000 0.452 1143 A N 0.658 123.461 122.820 -0.029 0.000 1.940 1143 A HA -0.129 4.198 4.320 0.012 0.000 0.219 1143 A C 2.347 179.925 177.584 -0.009 0.000 1.176 1143 A CA 2.023 54.047 52.037 -0.021 0.000 0.631 1143 A CB -0.765 18.221 19.000 -0.023 0.000 0.814 1143 A HN 0.284 nan 8.150 nan 0.000 0.446 1144 A N -0.193 122.624 122.820 -0.005 0.000 1.933 1144 A HA -0.147 4.180 4.320 0.012 0.000 0.218 1144 A C 2.100 179.691 177.584 0.012 0.000 1.175 1144 A CA 1.763 53.807 52.037 0.012 0.000 0.628 1144 A CB -0.372 18.632 19.000 0.007 0.000 0.814 1144 A HN 0.567 nan 8.150 nan 0.000 0.444 1145 K N -0.050 120.348 120.400 -0.003 0.000 2.025 1145 K HA -0.067 4.260 4.320 0.012 0.000 0.207 1145 K C 2.323 178.924 176.600 0.001 0.000 1.049 1145 K CA 1.455 57.741 56.287 -0.003 0.000 0.933 1145 K CB -0.240 32.254 32.500 -0.011 0.000 0.714 1145 K HN 0.410 nan 8.250 nan 0.000 0.438 1146 S N 1.222 116.919 115.700 -0.004 0.000 2.374 1146 S HA -0.122 4.355 4.470 0.012 0.000 0.227 1146 S C 1.849 176.447 174.600 -0.003 0.000 1.037 1146 S CA 1.129 59.324 58.200 -0.007 0.000 1.024 1146 S CB -0.187 63.004 63.200 -0.015 0.000 0.861 1146 S HN 0.193 nan 8.310 nan 0.000 0.456 1147 I N 0.151 120.724 120.570 0.004 0.000 2.716 1147 I HA 0.114 4.291 4.170 0.012 0.000 0.259 1147 I C 1.956 178.114 176.117 0.067 0.000 1.172 1147 I CA 1.058 62.364 61.300 0.011 0.000 1.478 1147 I CB -1.803 36.198 38.000 0.002 0.000 1.104 1147 I HN 0.464 nan 8.210 nan 0.000 0.439 1148 G N 1.337 110.173 108.800 0.059 0.000 2.132 1148 G HA2 -0.155 3.812 3.960 0.012 0.000 0.228 1148 G HA3 -0.155 3.812 3.960 0.012 0.000 0.228 1148 G C 0.509 175.446 174.900 0.062 0.000 1.000 1148 G CA 0.165 45.298 45.100 0.056 0.000 0.693 1148 G HN 0.688 nan 8.290 nan 0.000 0.515 1149 A N -0.151 122.717 122.820 0.080 0.000 2.386 1149 A HA 0.689 5.016 4.320 0.012 0.000 0.248 1149 A C 0.845 178.418 177.584 -0.018 0.000 1.082 1149 A CA 0.925 52.983 52.037 0.034 0.000 0.789 1149 A CB 0.383 19.433 19.000 0.085 0.000 1.025 1149 A HN 0.810 nan 8.150 nan 0.000 0.490 1150 T N 2.602 117.128 114.554 -0.047 0.000 2.727 1150 T HA 0.412 4.769 4.350 0.012 0.000 0.295 1150 T C 0.025 174.668 174.700 -0.095 0.000 0.915 1150 T CA 0.496 62.552 62.100 -0.072 0.000 1.066 1150 T CB -0.070 68.770 68.868 -0.046 0.000 0.891 1150 T HN 0.616 nan 8.240 nan 0.000 0.516 1151 T N 4.860 119.308 114.554 -0.177 0.000 2.829 1151 T HA 0.401 4.758 4.350 0.012 0.000 0.280 1151 T C -0.478 174.033 174.700 -0.316 0.000 0.999 1151 T CA -0.760 61.259 62.100 -0.135 0.000 0.983 1151 T CB 0.806 69.639 68.868 -0.058 0.000 0.968 1151 T HN 0.542 nan 8.240 nan 0.000 0.446 1152 H N 0.890 119.972 119.070 0.019 0.000 2.572 1152 H HA 0.595 5.158 4.556 0.012 0.000 0.359 1152 H C -1.043 174.296 175.328 0.019 0.000 1.134 1152 H CA -0.694 55.374 56.048 0.033 0.000 1.187 1152 H CB 1.964 31.755 29.762 0.047 0.000 1.597 1152 H HN 0.259 nan 8.280 nan 0.000 0.524 1153 V N 2.083 122.071 119.914 0.125 0.000 2.444 1153 V HA 0.665 4.792 4.120 0.012 0.000 0.294 1153 V C 0.422 176.557 176.094 0.068 0.000 1.022 1153 V CA -0.280 62.063 62.300 0.071 0.000 0.850 1153 V CB 1.271 33.118 31.823 0.040 0.000 0.992 1153 V HN 1.117 nan 8.190 nan 0.000 0.426 1154 G N 3.259 112.087 108.800 0.047 0.000 2.392 1154 G HA2 0.415 4.382 3.960 0.012 0.000 0.260 1154 G HA3 0.415 4.382 3.960 0.012 0.000 0.260 1154 G C -1.405 173.497 174.900 0.003 0.000 1.226 1154 G CA -0.379 44.740 45.100 0.032 0.000 0.913 1154 G HN 0.494 nan 8.290 nan 0.000 0.483 1155 V N 0.998 120.905 119.914 -0.013 0.000 2.509 1155 V HA 0.630 4.757 4.120 0.012 0.000 0.284 1155 V C 0.216 176.256 176.094 -0.091 0.000 1.047 1155 V CA -0.067 62.204 62.300 -0.047 0.000 0.952 1155 V CB 1.244 33.039 31.823 -0.047 0.000 0.988 1155 V HN 0.747 nan 8.190 nan 0.000 0.469 1156 T N 3.562 118.047 114.554 -0.114 0.000 2.856 1156 T HA 0.647 5.004 4.350 0.012 0.000 0.283 1156 T C -0.060 174.504 174.700 -0.226 0.000 1.008 1156 T CA -0.312 61.697 62.100 -0.152 0.000 0.997 1156 T CB 1.670 70.481 68.868 -0.093 0.000 0.992 1156 T HN 0.902 nan 8.240 nan 0.000 0.454 1157 A N 2.259 124.883 122.820 -0.327 0.000 2.269 1157 A HA 0.605 4.932 4.320 0.012 0.000 0.302 1157 A C 0.384 177.886 177.584 -0.136 0.000 1.266 1157 A CA -0.446 51.352 52.037 -0.398 0.000 0.894 1157 A CB 0.286 18.843 19.000 -0.738 0.000 1.147 1157 A HN 0.629 nan 8.150 nan 0.000 0.537 1158 S N 2.220 117.858 115.700 -0.103 0.000 2.448 1158 S HA 0.523 5.000 4.470 0.012 0.000 0.320 1158 S C -0.072 174.531 174.600 0.005 0.000 1.071 1158 S CA -0.315 57.870 58.200 -0.024 0.000 1.113 1158 S CB 0.334 63.517 63.200 -0.028 0.000 0.972 1158 S HN 0.959 nan 8.310 nan 0.000 0.465 1159 S N 3.335 119.045 115.700 0.016 0.000 2.501 1159 S HA 0.372 4.849 4.470 0.012 0.000 0.301 1159 S C 0.421 175.009 174.600 -0.021 0.000 1.096 1159 S CA -0.639 57.554 58.200 -0.011 0.000 1.063 1159 S CB 1.237 64.376 63.200 -0.101 0.000 1.042 1159 S HN 0.700 nan 8.310 nan 0.000 0.494 1160 D N 1.955 122.352 120.400 -0.005 0.000 2.348 1160 D HA 0.081 4.728 4.640 0.012 0.000 0.216 1160 D C 0.813 177.106 176.300 -0.012 0.000 0.970 1160 D CA 0.972 54.975 54.000 0.004 0.000 0.889 1160 D CB 0.134 40.954 40.800 0.034 0.000 0.912 1160 D HN 0.721 nan 8.370 nan 0.000 0.524 1161 T N -3.807 110.708 114.554 -0.065 0.000 2.908 1161 T HA 0.296 4.653 4.350 0.012 0.000 0.290 1161 T C 0.557 175.198 174.700 -0.099 0.000 1.034 1161 T CA -0.895 61.176 62.100 -0.048 0.000 1.010 1161 T CB 1.301 70.131 68.868 -0.064 0.000 1.068 1161 T HN -0.097 nan 8.240 nan 0.000 0.481 1162 F N 0.151 119.963 119.950 -0.230 0.000 2.512 1162 F HA 0.177 4.711 4.527 0.012 0.000 0.296 1162 F C 0.891 176.340 175.800 -0.585 0.000 1.110 1162 F CA 0.734 58.471 58.000 -0.439 0.000 1.446 1162 F CB 0.003 38.665 39.000 -0.563 0.000 1.092 1162 F HN 0.686 nan 8.300 nan 0.000 0.554 1163 Y N 0.384 120.601 120.300 -0.139 0.000 2.435 1163 Y HA 0.158 4.715 4.550 0.010 0.000 0.251 1163 Y C -0.574 175.128 175.900 -0.330 0.000 1.077 1163 Y CA 0.229 58.206 58.100 -0.205 0.000 1.243 1163 Y CB -1.697 36.737 38.460 -0.042 0.000 1.107 1163 Y HN -0.254 nan 8.280 nan 0.000 0.496 1164 P HA -0.058 nan 4.420 nan 0.000 0.221 1164 P C 1.387 178.369 177.300 -0.530 0.000 1.150 1164 P CA 2.017 64.961 63.100 -0.261 0.000 0.800 1164 P CB -0.114 31.506 31.700 -0.133 0.000 0.787 1165 G N 0.197 108.585 108.800 -0.686 0.000 2.484 1165 G HA2 -0.184 3.783 3.960 0.012 0.000 0.218 1165 G HA3 -0.184 3.783 3.960 0.012 0.000 0.218 1165 G C 1.272 175.688 174.900 -0.807 0.000 1.130 1165 G CA 0.245 44.657 45.100 -1.147 0.000 0.784 1165 G HN 0.368 nan 8.290 nan 0.000 0.543 1166 Q N -0.294 119.030 119.800 -0.793 0.000 2.201 1166 Q HA 0.235 4.582 4.340 0.012 0.000 0.236 1166 Q C -0.118 175.494 176.000 -0.647 0.000 0.857 1166 Q CA -0.313 54.758 55.803 -1.221 0.000 1.025 1166 Q CB 0.387 28.246 28.738 -1.465 0.000 1.124 1166 Q HN 0.561 nan 8.270 nan 0.000 0.473 1167 E N 1.816 121.781 120.200 -0.391 0.000 2.183 1167 E HA -0.253 4.104 4.350 0.012 0.000 0.196 1167 E C -0.929 175.489 176.600 -0.305 0.000 1.364 1167 E CA 0.183 56.417 56.400 -0.277 0.000 0.700 1167 E CB -0.289 29.404 29.700 -0.011 0.000 1.106 1167 E HN 0.355 nan 8.360 nan 0.000 0.347 1168 R N 0.272 120.567 120.500 -0.342 0.000 2.297 1168 R HA 0.220 4.567 4.340 0.012 0.000 0.308 1168 R C 0.224 176.384 176.300 -0.233 0.000 1.029 1168 R CA -0.226 55.769 56.100 -0.175 0.000 0.929 1168 R CB 0.557 30.813 30.300 -0.074 0.000 1.046 1168 R HN 0.237 nan 8.270 nan 0.000 0.461 1169 Y N -0.530 119.788 120.300 0.030 0.000 2.462 1169 Y HA 0.035 4.592 4.550 0.012 0.000 0.253 1169 Y C 0.708 176.622 175.900 0.023 0.000 1.095 1169 Y CA -0.165 57.949 58.100 0.024 0.000 1.283 1169 Y CB 0.542 39.010 38.460 0.013 0.000 1.138 1169 Y HN 0.520 nan 8.280 nan 0.000 0.522 1170 D N 1.757 122.260 120.400 0.171 0.000 2.600 1170 D HA 0.084 4.731 4.640 0.012 0.000 0.226 1170 D C -0.007 176.334 176.300 0.069 0.000 1.119 1170 D CA 0.293 54.362 54.000 0.115 0.000 1.051 1170 D CB -0.241 40.630 40.800 0.118 0.000 1.106 1170 D HN 0.257 nan 8.370 nan 0.000 0.491 1171 T N -1.918 112.650 114.554 0.024 0.000 2.838 1171 T HA 0.149 4.506 4.350 0.012 0.000 0.292 1171 T C 0.902 175.597 174.700 -0.008 0.000 1.113 1171 T CA -0.852 61.216 62.100 -0.054 0.000 1.008 1171 T CB 0.519 69.335 68.868 -0.088 0.000 1.259 1171 T HN 0.084 nan 8.240 nan 0.000 0.520 1172 Y N 1.737 121.968 120.300 -0.116 0.000 2.114 1172 Y HA -0.160 4.396 4.550 0.011 0.000 0.282 1172 Y C 2.692 178.570 175.900 -0.037 0.000 1.165 1172 Y CA 2.824 60.882 58.100 -0.071 0.000 1.148 1172 Y CB -0.555 37.856 38.460 -0.081 0.000 0.972 1172 Y HN 0.750 nan 8.280 nan 0.000 0.504 1173 S N -1.198 114.429 115.700 -0.122 0.000 2.458 1173 S HA 0.168 4.645 4.470 0.012 0.000 0.223 1173 S C 1.915 176.458 174.600 -0.095 0.000 1.019 1173 S CA 0.559 58.651 58.200 -0.180 0.000 0.937 1173 S CB -0.617 62.583 63.200 0.000 0.000 0.788 1173 S HN 1.026 nan 8.310 nan 0.000 0.511 1174 G N 1.663 110.448 108.800 -0.024 0.000 2.187 1174 G HA2 -0.336 3.631 3.960 0.012 0.000 0.261 1174 G HA3 -0.336 3.631 3.960 0.012 0.000 0.261 1174 G C 0.043 175.025 174.900 0.136 0.000 1.000 1174 G CA 0.574 45.713 45.100 0.064 0.000 0.718 1174 G HN 0.819 nan 8.290 nan 0.000 0.519 1175 R N -0.473 120.069 120.500 0.070 0.000 2.532 1175 R HA 0.640 4.987 4.340 0.012 0.000 0.295 1175 R C -0.839 175.479 176.300 0.031 0.000 0.968 1175 R CA -0.615 55.538 56.100 0.087 0.000 0.916 1175 R CB 1.565 31.898 30.300 0.054 0.000 1.124 1175 R HN 0.093 nan 8.270 nan 0.000 0.463 1176 V N 5.088 125.035 119.914 0.055 0.000 2.483 1176 V HA 0.199 4.326 4.120 0.012 0.000 0.297 1176 V C 0.109 176.259 176.094 0.094 0.000 1.027 1176 V CA -0.866 61.426 62.300 -0.013 0.000 0.855 1176 V CB 1.598 33.285 31.823 -0.227 0.000 0.995 1176 V HN 0.660 nan 8.190 nan 0.000 0.424 1177 V N 6.121 126.107 119.914 0.121 0.000 3.032 1177 V HA 0.050 4.177 4.120 0.012 0.000 0.307 1177 V C 1.911 178.069 176.094 0.106 0.000 1.097 1177 V CA 0.820 63.193 62.300 0.121 0.000 1.191 1177 V CB 0.916 32.826 31.823 0.146 0.000 0.964 1177 V HN 0.997 nan 8.190 nan 0.000 0.494 1178 R N 3.682 124.214 120.500 0.053 0.000 2.133 1178 R HA -0.263 4.084 4.340 0.012 0.000 0.245 1178 R C 2.236 178.517 176.300 -0.032 0.000 1.137 1178 R CA 2.715 58.826 56.100 0.018 0.000 0.947 1178 R CB -0.441 29.859 30.300 -0.001 0.000 0.865 1178 R HN 0.844 nan 8.270 nan 0.000 0.437 1179 R N -0.778 119.653 120.500 -0.115 0.000 2.139 1179 R HA -0.153 4.194 4.340 0.012 0.000 0.243 1179 R C 1.308 177.377 176.300 -0.386 0.000 1.145 1179 R CA 1.945 57.861 56.100 -0.307 0.000 0.976 1179 R CB -0.198 29.801 30.300 -0.502 0.000 0.866 1179 R HN 0.303 nan 8.270 nan 0.000 0.449 1180 F N 0.613 120.578 119.950 0.025 0.000 2.695 1180 F HA 0.297 4.838 4.527 0.023 0.000 0.303 1180 F C 0.264 176.069 175.800 0.008 0.000 1.091 1180 F CA -0.172 57.842 58.000 0.024 0.000 1.300 1180 F CB 0.288 39.301 39.000 0.023 0.000 1.071 1180 F HN -0.259 nan 8.300 nan 0.000 0.578 1181 K N 0.724 121.211 120.400 0.145 0.000 2.412 1181 K HA 0.286 4.613 4.320 0.012 0.000 0.284 1181 K C 1.189 177.834 176.600 0.074 0.000 1.046 1181 K CA 0.762 57.134 56.287 0.142 0.000 0.999 1181 K CB 0.046 32.614 32.500 0.113 0.000 0.941 1181 K HN 0.362 nan 8.250 nan 0.000 0.474 1182 G N 2.031 110.889 108.800 0.097 0.000 2.148 1182 G HA2 -0.338 3.629 3.960 0.012 0.000 0.254 1182 G HA3 -0.338 3.629 3.960 0.012 0.000 0.254 1182 G C 0.903 175.759 174.900 -0.072 0.000 0.981 1182 G CA 0.791 45.903 45.100 0.020 0.000 0.670 1182 G HN 0.681 nan 8.290 nan 0.000 0.528 1183 S N -0.843 114.820 115.700 -0.061 0.000 2.395 1183 S HA 0.088 4.565 4.470 0.012 0.000 0.225 1183 S C 2.261 176.626 174.600 -0.392 0.000 1.027 1183 S CA 1.473 59.489 58.200 -0.307 0.000 0.965 1183 S CB -0.249 62.929 63.200 -0.036 0.000 0.812 1183 S HN 0.679 nan 8.310 nan 0.000 0.482 1184 M N 1.599 121.223 119.600 0.040 0.000 2.159 1184 M HA -0.091 4.396 4.480 0.012 0.000 0.263 1184 M C 2.333 178.679 176.300 0.076 0.000 1.063 1184 M CA 2.038 57.470 55.300 0.220 0.000 1.110 1184 M CB -0.260 32.526 32.600 0.309 0.000 1.374 1184 M HN 0.538 nan 8.290 nan 0.000 0.411 1185 E N 0.045 120.250 120.200 0.008 0.000 2.110 1185 E HA -0.284 4.073 4.350 0.012 0.000 0.193 1185 E C 1.821 178.389 176.600 -0.054 0.000 0.988 1185 E CA 1.665 58.060 56.400 -0.008 0.000 0.804 1185 E CB -0.089 29.604 29.700 -0.012 0.000 0.745 1185 E HN 0.705 nan 8.360 nan 0.000 0.458 1186 E N -0.227 119.866 120.200 -0.180 0.000 2.028 1186 E HA -0.177 4.180 4.350 0.012 0.000 0.191 1186 E C 1.797 178.345 176.600 -0.087 0.000 0.988 1186 E CA 1.438 57.703 56.400 -0.226 0.000 0.799 1186 E CB -0.281 29.150 29.700 -0.447 0.000 0.755 1186 E HN 0.419 nan 8.360 nan 0.000 0.447 1187 W N 1.045 122.354 121.300 0.015 0.000 2.338 1187 W HA -0.216 4.445 4.660 0.001 0.000 0.304 1187 W C 2.623 179.114 176.519 -0.047 0.000 1.212 1187 W CA 0.632 57.958 57.345 -0.031 0.000 1.264 1187 W CB -0.237 29.167 29.460 -0.093 0.000 1.142 1187 W HN 0.218 nan 8.180 nan 0.000 0.512 1188 Q N 0.294 120.196 119.800 0.171 0.000 2.061 1188 Q HA -0.211 4.136 4.340 0.012 0.000 0.204 1188 Q C 2.508 178.554 176.000 0.077 0.000 0.984 1188 Q CA 1.887 57.744 55.803 0.089 0.000 0.846 1188 Q CB -0.653 28.122 28.738 0.061 0.000 0.902 1188 Q HN 0.340 nan 8.270 nan 0.000 0.421 1189 A N 0.372 123.229 122.820 0.060 0.000 2.019 1189 A HA -0.131 4.196 4.320 0.012 0.000 0.219 1189 A C 1.822 179.443 177.584 0.062 0.000 1.164 1189 A CA 1.200 53.264 52.037 0.045 0.000 0.644 1189 A CB -0.342 18.669 19.000 0.018 0.000 0.805 1189 A HN 0.320 nan 8.150 nan 0.000 0.449 1190 M N -1.361 118.298 119.600 0.098 0.000 2.561 1190 M HA 0.188 4.675 4.480 0.012 0.000 0.238 1190 M C 1.309 177.664 176.300 0.093 0.000 1.131 1190 M CA 0.746 56.112 55.300 0.111 0.000 1.046 1190 M CB 0.295 33.006 32.600 0.185 0.000 1.532 1190 M HN 0.594 nan 8.290 nan 0.000 0.497 1191 G N 0.551 109.401 108.800 0.084 0.000 2.157 1191 G HA2 -0.205 3.762 3.960 0.012 0.000 0.248 1191 G HA3 -0.205 3.762 3.960 0.012 0.000 0.248 1191 G C 0.098 175.027 174.900 0.048 0.000 0.979 1191 G CA -0.190 44.952 45.100 0.071 0.000 0.650 1191 G HN 0.306 nan 8.290 nan 0.000 0.529 1192 V N 1.615 121.552 119.914 0.038 0.000 2.673 1192 V HA 0.206 4.333 4.120 0.012 0.000 0.303 1192 V C 1.830 177.875 176.094 -0.082 0.000 1.046 1192 V CA 1.179 63.454 62.300 -0.042 0.000 1.126 1192 V CB 1.258 33.027 31.823 -0.090 0.000 0.934 1192 V HN 0.386 nan 8.190 nan 0.000 0.487 1193 M N 2.960 122.491 119.600 -0.115 0.000 2.357 1193 M HA 0.131 4.618 4.480 0.012 0.000 0.266 1193 M C 0.616 176.807 176.300 -0.181 0.000 1.095 1193 M CA 0.921 56.139 55.300 -0.137 0.000 1.156 1193 M CB 0.090 32.627 32.600 -0.106 0.000 1.365 1193 M HN 0.972 nan 8.290 nan 0.000 0.447 1194 N N -1.783 116.789 118.700 -0.213 0.000 3.185 1194 N HA 0.142 4.889 4.740 0.012 0.000 0.238 1194 N C -2.005 173.342 175.510 -0.271 0.000 1.451 1194 N CA -0.644 52.288 53.050 -0.197 0.000 0.888 1194 N CB 1.187 39.611 38.487 -0.106 0.000 1.413 1194 N HN -0.112 nan 8.380 nan 0.000 0.511 1195 Y N -0.172 120.070 120.300 -0.097 0.000 2.387 1195 Y HA 0.496 5.052 4.550 0.009 0.000 0.336 1195 Y C 0.392 176.236 175.900 -0.092 0.000 1.067 1195 Y CA -0.029 58.000 58.100 -0.118 0.000 1.114 1195 Y CB 1.573 39.944 38.460 -0.148 0.000 1.208 1195 Y HN 0.819 nan 8.280 nan 0.000 0.458 1196 E N -0.083 120.177 120.200 0.100 0.000 2.408 1196 E HA 0.506 4.862 4.350 0.012 0.000 0.266 1196 E C -1.135 175.488 176.600 0.039 0.000 1.025 1196 E CA -0.726 55.709 56.400 0.058 0.000 0.881 1196 E CB 1.085 30.805 29.700 0.033 0.000 1.660 1196 E HN 0.452 nan 8.360 nan 0.000 0.458 1197 M N -0.568 119.049 119.600 0.029 0.000 2.327 1197 M HA 0.345 4.832 4.480 0.012 0.000 0.365 1197 M C -0.180 176.126 176.300 0.009 0.000 0.992 1197 M CA 0.175 55.486 55.300 0.019 0.000 0.985 1197 M CB 0.737 33.354 32.600 0.029 0.000 1.673 1197 M HN 0.505 nan 8.290 nan 0.000 0.586 1198 E N -0.587 119.616 120.200 0.005 0.000 2.500 1198 E HA 0.073 4.430 4.350 0.012 0.000 0.217 1198 E C 1.820 178.412 176.600 -0.014 0.000 0.848 1198 E CA 0.596 56.994 56.400 -0.003 0.000 1.217 1198 E CB 0.411 30.111 29.700 0.000 0.000 1.217 1198 E HN 0.308 nan 8.360 nan 0.000 0.573 1199 S N 0.778 116.471 115.700 -0.012 0.000 2.383 1199 S HA -0.047 4.430 4.470 0.012 0.000 0.227 1199 S C 2.235 176.823 174.600 -0.021 0.000 1.026 1199 S CA 0.882 59.072 58.200 -0.018 0.000 0.981 1199 S CB -0.260 62.930 63.200 -0.015 0.000 0.818 1199 S HN 0.213 nan 8.310 nan 0.000 0.472 1200 A N 1.777 124.589 122.820 -0.014 0.000 1.883 1200 A HA -0.073 4.254 4.320 0.012 0.000 0.217 1200 A C 2.441 180.025 177.584 -0.000 0.000 1.186 1200 A CA 2.287 54.323 52.037 -0.001 0.000 0.624 1200 A CB -1.752 17.253 19.000 0.008 0.000 0.822 1200 A HN 0.568 nan 8.150 nan 0.000 0.444 1201 T N -0.141 114.405 114.554 -0.014 0.000 2.701 1201 T HA -0.116 4.241 4.350 0.012 0.000 0.263 1201 T C 1.878 176.499 174.700 -0.132 0.000 1.040 1201 T CA 1.498 63.575 62.100 -0.038 0.000 1.147 1201 T CB -0.437 68.416 68.868 -0.025 0.000 0.865 1201 T HN 0.346 nan 8.240 nan 0.000 0.426 1202 L N 1.133 122.283 121.223 -0.123 0.000 1.990 1202 L HA -0.054 4.293 4.340 0.012 0.000 0.213 1202 L C 2.188 178.963 176.870 -0.159 0.000 1.072 1202 L CA 1.759 56.493 54.840 -0.176 0.000 0.755 1202 L CB -0.746 41.245 42.059 -0.113 0.000 0.889 1202 L HN 0.267 nan 8.230 nan 0.000 0.432 1203 L N -1.459 119.719 121.223 -0.074 0.000 2.056 1203 L HA -0.169 4.178 4.340 0.012 0.000 0.207 1203 L C 2.339 179.210 176.870 0.001 0.000 1.078 1203 L CA 1.628 56.455 54.840 -0.023 0.000 0.749 1203 L CB -1.125 40.940 42.059 0.011 0.000 0.901 1203 L HN 0.315 nan 8.230 nan 0.000 0.433 1204 T N 0.659 115.211 114.554 -0.003 0.000 2.737 1204 T HA -0.206 4.151 4.350 0.012 0.000 0.265 1204 T C 1.878 176.503 174.700 -0.125 0.000 1.038 1204 T CA 1.864 63.990 62.100 0.043 0.000 1.144 1204 T CB -0.235 68.679 68.868 0.076 0.000 0.866 1204 T HN 0.432 nan 8.240 nan 0.000 0.434 1205 M N 0.321 119.706 119.600 -0.358 0.000 2.175 1205 M HA -0.018 4.469 4.480 0.012 0.000 0.264 1205 M C 2.251 178.307 176.300 -0.406 0.000 1.063 1205 M CA 1.515 56.378 55.300 -0.728 0.000 1.119 1205 M CB -1.125 30.581 32.600 -1.490 0.000 1.377 1205 M HN 0.182 nan 8.290 nan 0.000 0.415 1206 C N 1.408 120.547 119.300 -0.269 0.000 2.476 1206 C HA 0.164 4.631 4.460 0.012 0.000 0.278 1206 C C 3.258 178.242 174.990 -0.010 0.000 1.274 1206 C CA 0.987 59.927 59.018 -0.130 0.000 1.713 1206 C CB -1.178 26.510 27.740 -0.088 0.000 2.039 1206 C HN 0.759 nan 8.230 nan 0.000 0.484 1207 A N 0.819 123.670 122.820 0.052 0.000 2.121 1207 A HA -0.085 4.241 4.320 0.012 0.000 0.218 1207 A C 2.043 179.769 177.584 0.237 0.000 1.154 1207 A CA 1.939 54.083 52.037 0.177 0.000 0.679 1207 A CB -0.472 18.689 19.000 0.268 0.000 0.795 1207 A HN 0.714 nan 8.150 nan 0.000 0.458 1208 S N -2.271 113.453 115.700 0.041 0.000 2.568 1208 S HA 0.266 4.742 4.470 0.012 0.000 0.232 1208 S C 0.692 175.261 174.600 -0.052 0.000 0.975 1208 S CA -0.087 58.040 58.200 -0.122 0.000 0.949 1208 S CB 0.157 62.989 63.200 -0.613 0.000 0.829 1208 S HN 0.578 nan 8.310 nan 0.000 0.479 1209 Q N 0.375 120.168 119.800 -0.011 0.000 2.057 1209 Q HA 0.334 4.681 4.340 0.012 0.000 0.216 1209 Q C 0.614 176.635 176.000 0.035 0.000 0.788 1209 Q CA 0.064 55.873 55.803 0.010 0.000 1.053 1209 Q CB 1.123 29.855 28.738 -0.011 0.000 1.210 1209 Q HN 0.642 nan 8.270 nan 0.000 0.455 1210 G N 1.477 110.309 108.800 0.053 0.000 2.176 1210 G HA2 -0.272 3.695 3.960 0.012 0.000 0.252 1210 G HA3 -0.272 3.695 3.960 0.012 0.000 0.252 1210 G C -0.098 174.848 174.900 0.076 0.000 1.024 1210 G CA 0.284 45.423 45.100 0.065 0.000 0.755 1210 G HN 0.253 nan 8.290 nan 0.000 0.507 1211 L N -0.820 120.453 121.223 0.082 0.000 2.334 1211 L HA 0.699 5.046 4.340 0.012 0.000 0.270 1211 L C 0.945 177.896 176.870 0.135 0.000 1.018 1211 L CA -1.232 53.689 54.840 0.135 0.000 0.811 1211 L CB 1.338 43.504 42.059 0.177 0.000 1.271 1211 L HN 0.053 nan 8.230 nan 0.000 0.443 1212 R N 1.234 121.834 120.500 0.167 0.000 2.407 1212 R HA 0.814 5.161 4.340 0.012 0.000 0.303 1212 R C -0.872 175.541 176.300 0.188 0.000 0.981 1212 R CA -0.607 55.574 56.100 0.136 0.000 0.905 1212 R CB 1.798 32.151 30.300 0.087 0.000 1.099 1212 R HN 0.722 nan 8.270 nan 0.000 0.459 1213 A N 1.118 124.015 122.820 0.128 0.000 2.549 1213 A HA 0.784 5.110 4.320 0.012 0.000 0.297 1213 A C -0.918 176.709 177.584 0.072 0.000 1.061 1213 A CA -0.626 51.487 52.037 0.126 0.000 0.690 1213 A CB 2.246 21.294 19.000 0.079 0.000 1.287 1213 A HN 0.770 nan 8.150 nan 0.000 0.402 1214 G N -0.305 108.534 108.800 0.064 0.000 2.642 1214 G HA2 0.699 4.666 3.960 0.012 0.000 0.293 1214 G HA3 0.699 4.666 3.960 0.012 0.000 0.293 1214 G C -1.254 173.664 174.900 0.030 0.000 1.341 1214 G CA -0.563 44.557 45.100 0.032 0.000 0.916 1214 G HN 1.206 nan 8.290 nan 0.000 0.474 1215 M N 1.740 121.350 119.600 0.016 0.000 2.213 1215 M HA 0.676 5.163 4.480 0.012 0.000 0.286 1215 M C -1.778 174.528 176.300 0.010 0.000 1.008 1215 M CA -0.797 54.511 55.300 0.014 0.000 0.937 1215 M CB 1.901 34.505 32.600 0.008 0.000 1.600 1215 M HN 0.675 nan 8.290 nan 0.000 0.450 1216 V N 4.389 124.311 119.914 0.013 0.000 2.789 1216 V HA 1.047 5.174 4.120 0.012 0.000 0.311 1216 V C -1.482 174.621 176.094 0.016 0.000 1.073 1216 V CA 0.097 62.405 62.300 0.014 0.000 0.921 1216 V CB 1.830 33.660 31.823 0.013 0.000 1.009 1216 V HN 1.159 nan 8.190 nan 0.000 0.426 1217 A N 3.860 126.691 122.820 0.018 0.000 2.539 1217 A HA 0.932 5.259 4.320 0.012 0.000 0.296 1217 A C -0.245 177.353 177.584 0.023 0.000 1.073 1217 A CA -0.199 51.848 52.037 0.018 0.000 0.700 1217 A CB 1.926 20.933 19.000 0.012 0.000 1.296 1217 A HN 1.573 nan 8.150 nan 0.000 0.405 1218 G N -0.075 108.739 108.800 0.022 0.000 2.343 1218 G HA2 0.527 4.494 3.960 0.012 0.000 0.319 1218 G HA3 0.527 4.494 3.960 0.012 0.000 0.319 1218 G C -0.635 174.273 174.900 0.012 0.000 1.126 1218 G CA -0.374 44.740 45.100 0.023 0.000 0.889 1218 G HN 0.914 nan 8.290 nan 0.000 0.457 1219 V N 4.332 124.249 119.914 0.004 0.000 2.387 1219 V HA 0.077 4.204 4.120 0.012 0.000 0.260 1219 V C 1.407 177.499 176.094 -0.004 0.000 1.054 1219 V CA -0.065 62.230 62.300 -0.008 0.000 0.967 1219 V CB 0.246 32.051 31.823 -0.030 0.000 1.036 1219 V HN 0.775 nan 8.190 nan 0.000 0.481 1220 I N 2.935 123.508 120.570 0.005 0.000 3.860 1220 I HA 0.445 4.622 4.170 0.012 0.000 0.319 1220 I C 0.350 176.473 176.117 0.010 0.000 1.279 1220 I CA 0.442 61.748 61.300 0.009 0.000 1.220 1220 I CB 0.693 38.703 38.000 0.016 0.000 1.027 1220 I HN 0.421 nan 8.210 nan 0.000 0.428 1221 V N 1.110 121.028 119.914 0.007 0.000 3.167 1221 V HA 0.406 4.533 4.120 0.012 0.000 0.293 1221 V C -1.812 174.278 176.094 -0.007 0.000 1.379 1221 V CA -0.669 61.635 62.300 0.007 0.000 1.019 1221 V CB 2.421 34.258 31.823 0.024 0.000 1.115 1221 V HN 0.350 nan 8.190 nan 0.000 0.442 1222 N N 4.236 122.930 118.700 -0.010 0.000 2.443 1222 N HA 0.410 5.157 4.740 0.012 0.000 0.269 1222 N C 0.723 176.231 175.510 -0.004 0.000 0.985 1222 N CA -0.583 52.455 53.050 -0.021 0.000 0.921 1222 N CB 1.829 40.295 38.487 -0.035 0.000 1.195 1222 N HN 0.605 nan 8.380 nan 0.000 0.492 1223 R N 0.859 121.362 120.500 0.005 0.000 2.193 1223 R HA -0.067 4.280 4.340 0.012 0.000 0.229 1223 R C 1.433 177.747 176.300 0.024 0.000 1.110 1223 R CA 1.425 57.539 56.100 0.023 0.000 0.988 1223 R CB -0.629 29.702 30.300 0.053 0.000 0.871 1223 R HN 0.696 nan 8.270 nan 0.000 0.458 1224 T N -2.599 111.961 114.554 0.011 0.000 3.088 1224 T HA 0.046 4.403 4.350 0.012 0.000 0.259 1224 T C 0.836 175.542 174.700 0.010 0.000 1.122 1224 T CA 0.177 62.285 62.100 0.013 0.000 1.095 1224 T CB 0.292 69.163 68.868 0.004 0.000 0.930 1224 T HN 0.139 nan 8.240 nan 0.000 0.508 1225 Q N 0.350 120.153 119.800 0.006 0.000 2.257 1225 Q HA 0.407 4.754 4.340 0.012 0.000 0.262 1225 Q C 0.902 176.909 176.000 0.011 0.000 0.997 1225 Q CA -0.738 55.069 55.803 0.006 0.000 0.873 1225 Q CB 1.897 30.635 28.738 -0.000 0.000 1.312 1225 Q HN 0.223 nan 8.270 nan 0.000 0.450 1226 Q N 0.795 120.601 119.800 0.011 0.000 1.990 1226 Q HA -0.091 4.256 4.340 0.012 0.000 0.200 1226 Q C -0.351 175.658 176.000 0.014 0.000 0.980 1226 Q CA 1.094 56.905 55.803 0.013 0.000 0.832 1226 Q CB 0.249 28.994 28.738 0.012 0.000 0.897 1226 Q HN 0.573 nan 8.270 nan 0.000 0.427 1227 E N 1.165 121.372 120.200 0.011 0.000 2.376 1227 E HA 0.143 4.500 4.350 0.012 0.000 0.266 1227 E C -0.638 175.969 176.600 0.011 0.000 1.009 1227 E CA 0.131 56.537 56.400 0.011 0.000 0.902 1227 E CB 0.727 30.432 29.700 0.008 0.000 0.972 1227 E HN 0.229 nan 8.360 nan 0.000 0.439 1228 I N 5.033 125.611 120.570 0.014 0.000 2.355 1228 I HA 0.231 4.408 4.170 0.012 0.000 0.288 1228 I C -2.020 174.105 176.117 0.014 0.000 0.999 1228 I CA -2.273 59.037 61.300 0.016 0.000 1.163 1228 I CB 1.159 39.173 38.000 0.023 0.000 1.316 1228 I HN 0.268 nan 8.210 nan 0.000 0.454 1229 P HA 0.120 nan 4.420 nan 0.000 0.272 1229 P C -0.650 176.656 177.300 0.010 0.000 1.223 1229 P CA -0.419 62.686 63.100 0.008 0.000 0.784 1229 P CB 0.285 31.988 31.700 0.005 0.000 0.923 1230 N N 0.706 119.411 118.700 0.008 0.000 2.327 1230 N HA 0.087 4.834 4.740 0.012 0.000 0.257 1230 N C 0.896 176.410 175.510 0.006 0.000 1.281 1230 N CA -0.039 53.016 53.050 0.007 0.000 0.942 1230 N CB -0.278 38.212 38.487 0.006 0.000 1.199 1230 N HN 0.330 nan 8.380 nan 0.000 0.532 1231 A N -0.669 122.154 122.820 0.004 0.000 2.070 1231 A HA -0.185 4.142 4.320 0.012 0.000 0.220 1231 A C 2.045 179.631 177.584 0.003 0.000 1.159 1231 A CA 1.587 53.625 52.037 0.002 0.000 0.656 1231 A CB -0.909 18.091 19.000 -0.000 0.000 0.800 1231 A HN 0.876 nan 8.150 nan 0.000 0.453 1232 E N -0.407 119.795 120.200 0.004 0.000 2.028 1232 E HA -0.150 4.207 4.350 0.012 0.000 0.191 1232 E C 2.128 178.733 176.600 0.007 0.000 0.988 1232 E CA 1.795 58.198 56.400 0.005 0.000 0.799 1232 E CB -0.078 29.625 29.700 0.005 0.000 0.755 1232 E HN 0.727 nan 8.360 nan 0.000 0.447 1233 T N -0.537 114.021 114.554 0.006 0.000 2.951 1233 T HA -0.085 4.272 4.350 0.012 0.000 0.268 1233 T C 1.912 176.616 174.700 0.007 0.000 1.073 1233 T CA 0.949 63.052 62.100 0.006 0.000 1.134 1233 T CB -0.133 68.736 68.868 0.002 0.000 0.884 1233 T HN 0.099 nan 8.240 nan 0.000 0.479 1234 M N 0.868 120.472 119.600 0.007 0.000 2.099 1234 M HA 0.019 4.506 4.480 0.012 0.000 0.262 1234 M C 2.618 178.924 176.300 0.011 0.000 1.067 1234 M CA 1.539 56.843 55.300 0.008 0.000 1.124 1234 M CB -0.372 32.232 32.600 0.007 0.000 1.353 1234 M HN 0.125 nan 8.290 nan 0.000 0.410 1235 K N 0.292 120.697 120.400 0.008 0.000 2.152 1235 K HA -0.231 4.096 4.320 0.012 0.000 0.206 1235 K C 2.090 178.702 176.600 0.020 0.000 1.048 1235 K CA 1.409 57.700 56.287 0.008 0.000 0.933 1235 K CB -0.056 32.445 32.500 0.002 0.000 0.721 1235 K HN 0.334 nan 8.250 nan 0.000 0.447 1236 Q N -0.243 119.574 119.800 0.028 0.000 2.079 1236 Q HA -0.134 4.213 4.340 0.012 0.000 0.200 1236 Q C 1.493 177.544 176.000 0.084 0.000 0.974 1236 Q CA 1.900 57.736 55.803 0.055 0.000 0.840 1236 Q CB 0.067 28.830 28.738 0.042 0.000 0.898 1236 Q HN 0.294 nan 8.270 nan 0.000 0.430 1237 T N 0.875 115.456 114.554 0.045 0.000 2.708 1237 T HA -0.193 4.164 4.350 0.012 0.000 0.266 1237 T C 1.561 176.301 174.700 0.067 0.000 1.037 1237 T CA 1.494 63.618 62.100 0.040 0.000 1.146 1237 T CB -0.301 68.575 68.868 0.012 0.000 0.865 1237 T HN 0.436 nan 8.240 nan 0.000 0.435 1238 E N 0.730 120.955 120.200 0.042 0.000 2.097 1238 E HA -0.168 4.189 4.350 0.012 0.000 0.196 1238 E C 2.355 178.975 176.600 0.033 0.000 1.000 1238 E CA 1.293 57.710 56.400 0.029 0.000 0.804 1238 E CB -0.101 29.604 29.700 0.009 0.000 0.740 1238 E HN 0.327 nan 8.360 nan 0.000 0.454 1239 S N -0.706 115.019 115.700 0.040 0.000 2.368 1239 S HA -0.172 4.305 4.470 0.012 0.000 0.225 1239 S C 1.614 176.218 174.600 0.006 0.000 1.030 1239 S CA 1.297 59.504 58.200 0.012 0.000 0.999 1239 S CB -0.350 62.854 63.200 0.007 0.000 0.844 1239 S HN 0.410 nan 8.310 nan 0.000 0.459 1240 H N 1.171 120.233 119.070 -0.013 0.000 2.321 1240 H HA 0.035 4.598 4.556 0.011 0.000 0.300 1240 H C 2.292 177.613 175.328 -0.010 0.000 1.087 1240 H CA 1.607 57.649 56.048 -0.010 0.000 1.319 1240 H CB -0.409 29.350 29.762 -0.005 0.000 1.379 1240 H HN 0.389 nan 8.280 nan 0.000 0.501 1241 A N -0.067 122.823 122.820 0.117 0.000 1.902 1241 A HA -0.151 4.176 4.320 0.012 0.000 0.217 1241 A C 2.608 180.203 177.584 0.019 0.000 1.181 1241 A CA 1.742 53.814 52.037 0.058 0.000 0.623 1241 A CB -0.852 18.175 19.000 0.044 0.000 0.818 1241 A HN 0.269 nan 8.150 nan 0.000 0.443 1242 V N 0.160 120.076 119.914 0.003 0.000 2.343 1242 V HA -0.274 3.853 4.120 0.012 0.000 0.247 1242 V C 2.434 178.506 176.094 -0.036 0.000 1.051 1242 V CA 2.322 64.609 62.300 -0.022 0.000 1.036 1242 V CB -0.667 31.135 31.823 -0.035 0.000 0.654 1242 V HN 0.549 nan 8.190 nan 0.000 0.451 1243 K N -0.272 120.095 120.400 -0.055 0.000 2.103 1243 K HA -0.146 4.181 4.320 0.012 0.000 0.207 1243 K C 2.012 178.580 176.600 -0.052 0.000 1.048 1243 K CA 1.634 57.875 56.287 -0.076 0.000 0.930 1243 K CB -0.303 32.111 32.500 -0.143 0.000 0.716 1243 K HN 0.410 nan 8.250 nan 0.000 0.444 1244 I N 0.158 120.710 120.570 -0.030 0.000 2.353 1244 I HA -0.211 3.966 4.170 0.012 0.000 0.248 1244 I C 2.290 178.398 176.117 -0.014 0.000 1.119 1244 I CA 0.618 61.910 61.300 -0.013 0.000 1.417 1244 I CB -0.049 37.959 38.000 0.014 0.000 1.078 1244 I HN -0.026 nan 8.210 nan 0.000 0.421 1245 V N 0.217 120.123 119.914 -0.013 0.000 2.453 1245 V HA -0.171 3.956 4.120 0.012 0.000 0.247 1245 V C 2.302 178.385 176.094 -0.019 0.000 1.048 1245 V CA 1.487 63.780 62.300 -0.012 0.000 1.049 1245 V CB 0.273 32.093 31.823 -0.005 0.000 0.672 1245 V HN 0.188 nan 8.190 nan 0.000 0.457 1246 V N -0.028 119.871 119.914 -0.025 0.000 2.323 1246 V HA -0.184 3.943 4.120 0.012 0.000 0.244 1246 V C 2.509 178.586 176.094 -0.028 0.000 1.041 1246 V CA 2.208 64.491 62.300 -0.028 0.000 1.025 1246 V CB -0.633 31.168 31.823 -0.035 0.000 0.656 1246 V HN 0.637 nan 8.190 nan 0.000 0.451 1247 E N 0.883 121.064 120.200 -0.030 0.000 2.085 1247 E HA -0.199 4.158 4.350 0.012 0.000 0.194 1247 E C 2.109 178.693 176.600 -0.028 0.000 0.994 1247 E CA 1.728 58.111 56.400 -0.029 0.000 0.801 1247 E CB -0.498 29.183 29.700 -0.031 0.000 0.743 1247 E HN 0.514 nan 8.360 nan 0.000 0.453 1248 A N 0.623 123.427 122.820 -0.027 0.000 1.933 1248 A HA -0.046 4.281 4.320 0.012 0.000 0.218 1248 A C 2.427 179.993 177.584 -0.030 0.000 1.175 1248 A CA 1.992 54.011 52.037 -0.030 0.000 0.628 1248 A CB -0.961 18.022 19.000 -0.028 0.000 0.814 1248 A HN 0.383 nan 8.150 nan 0.000 0.444 1249 A N 0.150 122.954 122.820 -0.027 0.000 1.902 1249 A HA -0.189 4.138 4.320 0.012 0.000 0.217 1249 A C 2.184 179.751 177.584 -0.028 0.000 1.181 1249 A CA 1.516 53.536 52.037 -0.028 0.000 0.623 1249 A CB -0.513 18.471 19.000 -0.027 0.000 0.818 1249 A HN 0.581 nan 8.150 nan 0.000 0.443 1250 R N -0.551 119.933 120.500 -0.026 0.000 2.117 1250 R HA -0.164 4.183 4.340 0.012 0.000 0.243 1250 R C 2.083 178.370 176.300 -0.023 0.000 1.143 1250 R CA 1.765 57.851 56.100 -0.023 0.000 0.968 1250 R CB -0.330 29.958 30.300 -0.021 0.000 0.863 1250 R HN 0.493 nan 8.270 nan 0.000 0.444 1251 R N 0.307 120.791 120.500 -0.026 0.000 2.307 1251 R HA 0.066 4.413 4.340 0.012 0.000 0.199 1251 R C 1.271 177.555 176.300 -0.027 0.000 1.000 1251 R CA 0.513 56.596 56.100 -0.027 0.000 1.023 1251 R CB 0.182 30.461 30.300 -0.034 0.000 0.908 1251 R HN 0.203 nan 8.270 nan 0.000 0.473 1252 L N 0.331 121.537 121.223 -0.028 0.000 2.808 1252 L HA 0.255 4.602 4.340 0.012 0.000 0.246 1252 L C 0.183 177.037 176.870 -0.026 0.000 1.153 1252 L CA -0.196 54.627 54.840 -0.027 0.000 0.956 1252 L CB 0.283 42.323 42.059 -0.032 0.000 1.270 1252 L HN 0.034 nan 8.230 nan 0.000 0.528 1253 L N 0.000 121.209 121.223 -0.024 0.000 2.949 1253 L HA 0.000 4.347 4.340 0.012 0.000 0.249 1253 L CA 0.000 54.826 54.840 -0.024 0.000 0.813 1253 L CB 0.000 42.046 42.059 -0.022 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502