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 1nv0_1_A DATA FIRST_RESID 1007 DATA SEQUENCE DTNIVTLTRF VMEEGRKARG TGEMTQLLNS LCTAVKAIST AVRKAGIAHL DATA SEQUENCE YGIAGSTNVT GDQVKKLDVL SNDLVINVLK SSFATCVLVS EEDKNAIIVE DATA SEQUENCE PEKRGKYVVC FDPLDGSSNI DCLVSIGTIF GIYRKNSTDE PSEKDALQPG DATA SEQUENCE RNLVAAGYAL YGSATMLVLA MVNGVNCFML DPAIGEFILV DRDVKIKKKG DATA SEQUENCE SIYSINEGYA KEFDPAITEY IQRKKFPPDN SAPYGARYVG SMVADVHRTL DATA SEQUENCE VYGGIFMYPA NKKSPKGKLR LLYECNPMAY VMEKAGGLAT TGKEAVLDIV DATA SEQUENCE PTDIHQRAPI ILGSPEDVTE LLEIYQKHA 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 D HA 0.000 nan 4.640 nan 0.000 0.175 1007 D C 0.000 176.310 176.300 0.016 0.000 2.045 1007 D CA 0.000 54.009 54.000 0.014 0.000 0.868 1007 D CB 0.000 40.806 40.800 0.010 0.000 0.688 1008 T N -1.184 113.379 114.554 0.015 0.000 3.160 1008 T HA 0.077 4.412 4.350 -0.024 0.000 0.257 1008 T C 0.591 175.302 174.700 0.019 0.000 1.147 1008 T CA 0.358 62.467 62.100 0.015 0.000 1.064 1008 T CB -0.305 68.570 68.868 0.012 0.000 0.949 1008 T HN 0.054 nan 8.240 nan 0.000 0.526 1009 N N 0.614 119.329 118.700 0.024 0.000 2.664 1009 N HA 0.413 5.139 4.740 -0.024 0.000 0.257 1009 N C -1.693 173.842 175.510 0.041 0.000 1.108 1009 N CA -0.729 52.340 53.050 0.031 0.000 0.822 1009 N CB 0.472 38.978 38.487 0.031 0.000 1.199 1009 N HN 0.140 nan 8.380 nan 0.000 0.529 1010 I N 2.426 123.023 120.570 0.045 0.000 2.301 1010 I HA 0.188 4.344 4.170 -0.024 0.000 0.292 1010 I C 0.016 176.183 176.117 0.084 0.000 1.046 1010 I CA -0.751 60.583 61.300 0.057 0.000 1.282 1010 I CB 1.281 39.309 38.000 0.046 0.000 1.409 1010 I HN 0.156 nan 8.210 nan 0.000 0.484 1011 V N 6.320 126.299 119.914 0.108 0.000 2.276 1011 V HA 0.165 4.271 4.120 -0.024 0.000 0.249 1011 V C 0.840 177.066 176.094 0.219 0.000 1.160 1011 V CA -0.410 61.989 62.300 0.165 0.000 1.042 1011 V CB -0.466 31.463 31.823 0.177 0.000 1.224 1011 V HN 0.902 nan 8.190 nan 0.000 0.496 1012 T N 1.163 115.830 114.554 0.188 0.000 2.899 1012 T HA 0.392 4.727 4.350 -0.024 0.000 0.284 1012 T C 1.221 176.012 174.700 0.152 0.000 1.004 1012 T CA -0.510 61.692 62.100 0.171 0.000 1.043 1012 T CB 1.636 70.563 68.868 0.099 0.000 1.013 1012 T HN 0.287 nan 8.240 nan 0.000 0.518 1013 L N 1.525 122.717 121.223 -0.051 0.000 2.013 1013 L HA -0.140 4.185 4.340 -0.024 0.000 0.212 1013 L C 2.711 179.470 176.870 -0.184 0.000 1.073 1013 L CA 2.213 56.736 54.840 -0.529 0.000 0.753 1013 L CB -1.052 40.522 42.059 -0.809 0.000 0.890 1013 L HN 0.970 nan 8.230 nan 0.000 0.432 1014 T N -0.642 113.861 114.554 -0.084 0.000 2.635 1014 T HA -0.327 4.008 4.350 -0.024 0.000 0.267 1014 T C 1.884 176.598 174.700 0.024 0.000 1.040 1014 T CA 2.035 64.115 62.100 -0.033 0.000 1.156 1014 T CB -0.364 68.498 68.868 -0.010 0.000 0.863 1014 T HN 0.388 nan 8.240 nan 0.000 0.430 1015 R N -0.111 120.429 120.500 0.066 0.000 2.073 1015 R HA -0.075 4.251 4.340 -0.024 0.000 0.234 1015 R C 2.261 178.630 176.300 0.116 0.000 1.134 1015 R CA 1.482 57.631 56.100 0.081 0.000 0.952 1015 R CB -0.628 29.730 30.300 0.096 0.000 0.850 1015 R HN 0.385 nan 8.270 nan 0.000 0.433 1016 F N 0.618 120.602 119.950 0.058 0.000 2.120 1016 F HA -0.231 4.283 4.527 -0.023 0.000 0.300 1016 F C 1.956 177.792 175.800 0.059 0.000 1.095 1016 F CA 1.709 59.774 58.000 0.107 0.000 1.249 1016 F CB -0.167 38.999 39.000 0.276 0.000 0.995 1016 F HN -0.135 nan 8.300 nan 0.000 0.480 1017 V N -0.021 120.018 119.914 0.208 0.000 2.667 1017 V HA -0.274 3.832 4.120 -0.024 0.000 0.252 1017 V C 2.258 178.358 176.094 0.011 0.000 1.065 1017 V CA 1.398 63.758 62.300 0.100 0.000 1.083 1017 V CB -0.339 31.505 31.823 0.034 0.000 0.692 1017 V HN 0.353 nan 8.190 nan 0.000 0.468 1018 M N -0.863 118.738 119.600 0.001 0.000 2.248 1018 M HA -0.052 4.414 4.480 -0.024 0.000 0.265 1018 M C 2.154 178.431 176.300 -0.038 0.000 1.079 1018 M CA 1.441 56.733 55.300 -0.013 0.000 1.150 1018 M CB -0.705 31.893 32.600 -0.003 0.000 1.366 1018 M HN 0.393 nan 8.290 nan 0.000 0.433 1019 E N 0.160 120.320 120.200 -0.067 0.000 2.031 1019 E HA -0.233 4.102 4.350 -0.024 0.000 0.193 1019 E C 1.902 178.423 176.600 -0.131 0.000 0.994 1019 E CA 1.282 57.624 56.400 -0.098 0.000 0.800 1019 E CB -0.094 29.531 29.700 -0.125 0.000 0.752 1019 E HN 0.482 nan 8.360 nan 0.000 0.447 1020 E N -0.253 119.822 120.200 -0.208 0.000 2.118 1020 E HA -0.125 4.210 4.350 -0.024 0.000 0.195 1020 E C 1.144 177.692 176.600 -0.087 0.000 0.992 1020 E CA 1.108 57.390 56.400 -0.197 0.000 0.804 1020 E CB 0.003 29.544 29.700 -0.265 0.000 0.741 1020 E HN 0.206 nan 8.360 nan 0.000 0.458 1021 G N 0.220 108.987 108.800 -0.054 0.000 4.125 1021 G HA2 0.045 3.991 3.960 -0.024 0.000 0.301 1021 G HA3 0.045 3.991 3.960 -0.024 0.000 0.301 1021 G C 0.771 175.663 174.900 -0.013 0.000 1.273 1021 G CA -0.322 44.768 45.100 -0.018 0.000 1.095 1021 G HN 0.173 nan 8.290 nan 0.000 0.582 1022 R N -0.745 119.740 120.500 -0.024 0.000 2.140 1022 R HA 0.271 4.597 4.340 -0.024 0.000 0.213 1022 R C 1.773 178.067 176.300 -0.010 0.000 1.059 1022 R CA 0.262 56.352 56.100 -0.017 0.000 1.000 1022 R CB -0.055 30.231 30.300 -0.024 0.000 0.910 1022 R HN -0.002 nan 8.270 nan 0.000 0.455 1023 K N 0.935 121.327 120.400 -0.012 0.000 2.262 1023 K HA 0.176 4.482 4.320 -0.024 0.000 0.200 1023 K C 1.424 178.024 176.600 0.000 0.000 1.049 1023 K CA 0.920 57.203 56.287 -0.007 0.000 0.979 1023 K CB 0.374 32.869 32.500 -0.010 0.000 0.773 1023 K HN 0.276 nan 8.250 nan 0.000 0.474 1024 A N 1.751 124.573 122.820 0.003 0.000 2.291 1024 A HA 0.048 4.353 4.320 -0.024 0.000 0.220 1024 A C 0.035 177.628 177.584 0.016 0.000 1.262 1024 A CA -0.068 51.976 52.037 0.012 0.000 0.867 1024 A CB -0.383 18.628 19.000 0.018 0.000 0.888 1024 A HN 0.289 nan 8.150 nan 0.000 0.487 1025 R N -2.389 118.118 120.500 0.011 0.000 3.315 1025 R HA -0.093 4.232 4.340 -0.024 0.000 0.657 1025 R C 0.578 176.890 176.300 0.020 0.000 0.241 1025 R CA 1.216 57.322 56.100 0.012 0.000 2.014 1025 R CB -1.218 29.088 30.300 0.009 0.000 0.806 1025 R HN 1.583 nan 8.270 nan 0.000 0.643 1026 G N -2.553 106.259 108.800 0.019 0.000 2.369 1026 G HA2 0.083 4.029 3.960 -0.024 0.000 0.307 1026 G HA3 0.083 4.029 3.960 -0.024 0.000 0.307 1026 G C 0.277 175.193 174.900 0.026 0.000 1.327 1026 G CA 0.355 45.472 45.100 0.028 0.000 0.963 1026 G HN 0.827 nan 8.290 nan 0.000 0.590 1027 T N -2.669 111.907 114.554 0.036 0.000 3.054 1027 T HA 0.401 4.737 4.350 -0.024 0.000 0.259 1027 T C 2.232 176.957 174.700 0.042 0.000 1.092 1027 T CA 1.957 64.076 62.100 0.032 0.000 1.121 1027 T CB -0.045 68.841 68.868 0.031 0.000 0.912 1027 T HN 2.805 nan 8.240 nan 0.000 0.489 1028 G N 1.675 110.511 108.800 0.059 0.000 2.159 1028 G HA2 -0.294 3.651 3.960 -0.024 0.000 0.256 1028 G HA3 -0.294 3.651 3.960 -0.024 0.000 0.256 1028 G C 0.654 175.599 174.900 0.074 0.000 0.977 1028 G CA 0.449 45.581 45.100 0.053 0.000 0.652 1028 G HN 0.638 nan 8.290 nan 0.000 0.531 1029 E N -0.774 119.502 120.200 0.128 0.000 2.204 1029 E HA -0.112 4.224 4.350 -0.024 0.000 0.195 1029 E C 2.319 178.997 176.600 0.130 0.000 0.990 1029 E CA 1.382 57.883 56.400 0.167 0.000 0.821 1029 E CB -0.166 29.690 29.700 0.259 0.000 0.750 1029 E HN 0.618 nan 8.360 nan 0.000 0.477 1030 M N 1.453 121.117 119.600 0.105 0.000 2.132 1030 M HA -0.104 4.361 4.480 -0.024 0.000 0.263 1030 M C 2.102 178.338 176.300 -0.106 0.000 1.065 1030 M CA 1.713 56.935 55.300 -0.130 0.000 1.122 1030 M CB -0.467 32.036 32.600 -0.162 0.000 1.365 1030 M HN -0.111 nan 8.290 nan 0.000 0.411 1031 T N 0.675 115.205 114.554 -0.041 0.000 2.684 1031 T HA -0.211 4.124 4.350 -0.024 0.000 0.267 1031 T C 1.727 176.396 174.700 -0.053 0.000 1.036 1031 T CA 2.001 64.073 62.100 -0.048 0.000 1.148 1031 T CB -0.271 68.586 68.868 -0.017 0.000 0.863 1031 T HN 0.571 nan 8.240 nan 0.000 0.436 1032 Q N 0.154 119.944 119.800 -0.017 0.000 2.096 1032 Q HA -0.048 4.278 4.340 -0.024 0.000 0.204 1032 Q C 2.382 178.356 176.000 -0.044 0.000 0.982 1032 Q CA 1.002 56.804 55.803 -0.002 0.000 0.850 1032 Q CB -0.316 28.456 28.738 0.057 0.000 0.901 1032 Q HN 0.332 nan 8.270 nan 0.000 0.422 1033 L N 0.674 121.854 121.223 -0.072 0.000 2.017 1033 L HA -0.176 4.149 4.340 -0.024 0.000 0.208 1033 L C 2.095 178.838 176.870 -0.210 0.000 1.073 1033 L CA 1.691 56.450 54.840 -0.135 0.000 0.745 1033 L CB -0.550 41.395 42.059 -0.190 0.000 0.894 1033 L HN 0.341 nan 8.230 nan 0.000 0.432 1034 L N -0.356 120.729 121.223 -0.229 0.000 2.072 1034 L HA -0.202 4.123 4.340 -0.024 0.000 0.205 1034 L C 2.324 179.047 176.870 -0.245 0.000 1.079 1034 L CA 0.834 55.500 54.840 -0.290 0.000 0.752 1034 L CB -0.685 41.215 42.059 -0.265 0.000 0.906 1034 L HN 0.311 nan 8.230 nan 0.000 0.436 1035 N N -0.126 118.478 118.700 -0.160 0.000 2.069 1035 N HA -0.161 4.564 4.740 -0.024 0.000 0.191 1035 N C 2.048 177.495 175.510 -0.105 0.000 1.031 1035 N CA 1.687 54.672 53.050 -0.109 0.000 0.852 1035 N CB -0.326 38.125 38.487 -0.059 0.000 1.018 1035 N HN 0.173 nan 8.380 nan 0.000 0.423 1036 S N 0.833 116.463 115.700 -0.117 0.000 2.356 1036 S HA -0.086 4.370 4.470 -0.024 0.000 0.223 1036 S C 1.916 176.421 174.600 -0.158 0.000 1.032 1036 S CA 0.567 58.697 58.200 -0.116 0.000 1.005 1036 S CB -0.365 62.765 63.200 -0.117 0.000 0.867 1036 S HN 0.218 nan 8.310 nan 0.000 0.449 1037 L N 1.344 122.424 121.223 -0.238 0.000 2.083 1037 L HA -0.046 4.280 4.340 -0.024 0.000 0.209 1037 L C 2.258 178.984 176.870 -0.240 0.000 1.083 1037 L CA 1.412 56.067 54.840 -0.308 0.000 0.752 1037 L CB -0.801 40.959 42.059 -0.498 0.000 0.899 1037 L HN 0.332 nan 8.230 nan 0.000 0.433 1038 C N -1.098 118.069 119.300 -0.222 0.000 2.413 1038 C HA -0.170 4.276 4.460 -0.024 0.000 0.277 1038 C C 2.649 177.704 174.990 0.109 0.000 1.265 1038 C CA 1.476 60.431 59.018 -0.105 0.000 1.752 1038 C CB -1.233 26.477 27.740 -0.050 0.000 1.998 1038 C HN 0.607 nan 8.230 nan 0.000 0.489 1039 T N 0.957 115.525 114.554 0.023 0.000 2.746 1039 T HA -0.116 4.219 4.350 -0.024 0.000 0.267 1039 T C 2.107 176.815 174.700 0.014 0.000 1.039 1039 T CA 1.624 63.741 62.100 0.027 0.000 1.142 1039 T CB -0.390 68.470 68.868 -0.014 0.000 0.866 1039 T HN 0.647 nan 8.240 nan 0.000 0.444 1040 A N 0.990 123.791 122.820 -0.032 0.000 1.877 1040 A HA -0.059 4.247 4.320 -0.024 0.000 0.216 1040 A C 2.580 180.179 177.584 0.025 0.000 1.186 1040 A CA 1.407 53.421 52.037 -0.040 0.000 0.620 1040 A CB -1.044 17.892 19.000 -0.107 0.000 0.822 1040 A HN 0.353 nan 8.150 nan 0.000 0.443 1041 V N 0.130 120.089 119.914 0.075 0.000 2.343 1041 V HA -0.284 3.821 4.120 -0.024 0.000 0.247 1041 V C 2.446 178.706 176.094 0.276 0.000 1.051 1041 V CA 2.393 64.832 62.300 0.231 0.000 1.036 1041 V CB -0.684 31.275 31.823 0.226 0.000 0.654 1041 V HN 0.550 nan 8.190 nan 0.000 0.451 1042 K N 0.184 120.723 120.400 0.231 0.000 2.097 1042 K HA -0.093 4.212 4.320 -0.024 0.000 0.206 1042 K C 2.301 178.916 176.600 0.026 0.000 1.049 1042 K CA 1.404 57.757 56.287 0.110 0.000 0.933 1042 K CB -0.391 32.132 32.500 0.039 0.000 0.717 1042 K HN 0.477 nan 8.250 nan 0.000 0.442 1043 A N 1.379 124.205 122.820 0.010 0.000 1.930 1043 A HA -0.135 4.171 4.320 -0.024 0.000 0.217 1043 A C 2.017 179.559 177.584 -0.070 0.000 1.175 1043 A CA 1.144 53.162 52.037 -0.031 0.000 0.627 1043 A CB -0.347 18.635 19.000 -0.030 0.000 0.815 1043 A HN 0.089 nan 8.150 nan 0.000 0.443 1044 I N -0.450 120.073 120.570 -0.077 0.000 2.286 1044 I HA -0.130 4.026 4.170 -0.024 0.000 0.245 1044 I C 2.722 178.609 176.117 -0.382 0.000 1.104 1044 I CA 1.729 62.907 61.300 -0.203 0.000 1.397 1044 I CB -1.380 36.513 38.000 -0.178 0.000 1.072 1044 I HN 0.398 nan 8.210 nan 0.000 0.417 1045 S N 0.386 115.892 115.700 -0.324 0.000 2.359 1045 S HA -0.207 4.249 4.470 -0.024 0.000 0.224 1045 S C 2.109 176.613 174.600 -0.159 0.000 1.035 1045 S CA 2.419 60.458 58.200 -0.268 0.000 1.018 1045 S CB -0.234 63.012 63.200 0.076 0.000 0.876 1045 S HN 0.459 nan 8.310 nan 0.000 0.448 1046 T N 1.699 116.190 114.554 -0.105 0.000 2.788 1046 T HA 0.047 4.382 4.350 -0.024 0.000 0.268 1046 T C 2.015 176.657 174.700 -0.097 0.000 1.044 1046 T CA 1.277 63.328 62.100 -0.081 0.000 1.139 1046 T CB -0.601 68.230 68.868 -0.062 0.000 0.867 1046 T HN 0.533 nan 8.240 nan 0.000 0.454 1047 A N 0.808 123.554 122.820 -0.122 0.000 1.873 1047 A HA -0.019 4.287 4.320 -0.024 0.000 0.215 1047 A C 2.558 180.053 177.584 -0.147 0.000 1.186 1047 A CA 1.197 53.159 52.037 -0.125 0.000 0.616 1047 A CB -0.965 17.962 19.000 -0.123 0.000 0.823 1047 A HN 0.343 nan 8.150 nan 0.000 0.442 1048 V N -0.095 119.711 119.914 -0.179 0.000 2.332 1048 V HA -0.250 3.856 4.120 -0.024 0.000 0.248 1048 V C 2.638 178.685 176.094 -0.078 0.000 1.055 1048 V CA 2.335 64.548 62.300 -0.146 0.000 1.038 1048 V CB -0.781 30.907 31.823 -0.225 0.000 0.651 1048 V HN 0.463 nan 8.190 nan 0.000 0.450 1049 R N 0.828 121.286 120.500 -0.070 0.000 2.241 1049 R HA -0.093 4.233 4.340 -0.024 0.000 0.224 1049 R C 1.744 178.021 176.300 -0.039 0.000 1.101 1049 R CA 1.053 57.135 56.100 -0.030 0.000 0.995 1049 R CB -0.229 30.056 30.300 -0.025 0.000 0.870 1049 R HN 0.722 nan 8.270 nan 0.000 0.463 1050 K N -1.900 118.455 120.400 -0.076 0.000 2.592 1050 K HA 0.360 4.665 4.320 -0.024 0.000 0.203 1050 K C 0.986 177.487 176.600 -0.164 0.000 1.070 1050 K CA 0.366 56.600 56.287 -0.087 0.000 1.062 1050 K CB 0.820 33.278 32.500 -0.069 0.000 0.814 1050 K HN -0.032 nan 8.250 nan 0.000 0.502 1051 A N 1.447 124.114 122.820 -0.256 0.000 1.908 1051 A HA -0.078 4.228 4.320 -0.024 0.000 0.218 1051 A C 2.219 179.346 177.584 -0.761 0.000 1.181 1051 A CA 2.038 53.751 52.037 -0.539 0.000 0.627 1051 A CB -1.073 17.474 19.000 -0.755 0.000 0.818 1051 A HN 0.558 nan 8.150 nan 0.000 0.445 1052 G N -0.500 107.933 108.800 -0.612 0.000 2.422 1052 G HA2 -0.068 3.878 3.960 -0.024 0.000 0.218 1052 G HA3 -0.068 3.878 3.960 -0.024 0.000 0.218 1052 G C 1.305 176.022 174.900 -0.306 0.000 1.140 1052 G CA 0.994 45.901 45.100 -0.322 0.000 0.775 1052 G HN 0.386 nan 8.290 nan 0.000 0.545 1053 I N 1.460 121.907 120.570 -0.205 0.000 2.617 1053 I HA 0.053 4.209 4.170 -0.024 0.000 0.256 1053 I C 2.816 178.888 176.117 -0.076 0.000 1.167 1053 I CA 0.853 62.064 61.300 -0.149 0.000 1.469 1053 I CB -0.847 37.117 38.000 -0.062 0.000 1.098 1053 I HN 0.230 nan 8.210 nan 0.000 0.436 1054 A N -0.697 122.071 122.820 -0.086 0.000 2.251 1054 A HA -0.012 4.293 4.320 -0.024 0.000 0.209 1054 A C 0.524 178.181 177.584 0.122 0.000 1.187 1054 A CA 0.037 52.094 52.037 0.033 0.000 0.823 1054 A CB -0.863 18.103 19.000 -0.056 0.000 0.846 1054 A HN 0.592 nan 8.150 nan 0.000 0.486 1055 H N -2.092 116.897 119.070 -0.134 0.000 2.770 1055 H HA -0.137 4.403 4.556 -0.025 0.000 0.309 1055 H C 0.421 175.677 175.328 -0.120 0.000 1.206 1055 H CA 0.960 56.950 56.048 -0.098 0.000 1.147 1055 H CB -2.259 27.477 29.762 -0.044 0.000 1.422 1055 H HN 0.463 nan 8.280 nan 0.000 0.420 1056 L N -0.900 120.215 121.223 -0.179 0.000 2.628 1056 L HA 0.178 4.503 4.340 -0.024 0.000 0.229 1056 L C 0.645 177.432 176.870 -0.139 0.000 1.137 1056 L CA -0.012 54.732 54.840 -0.160 0.000 0.909 1056 L CB 0.054 41.989 42.059 -0.205 0.000 1.137 1056 L HN 0.289 nan 8.230 nan 0.000 0.470 1057 Y N 0.283 120.584 120.300 0.003 0.000 2.326 1057 Y HA 0.567 5.104 4.550 -0.023 0.000 0.324 1057 Y C 1.237 177.145 175.900 0.014 0.000 1.291 1057 Y CA -0.029 58.071 58.100 0.001 0.000 1.348 1057 Y CB 1.157 39.610 38.460 -0.013 0.000 1.294 1057 Y HN 0.090 nan 8.280 nan 0.000 0.525 1058 G N 0.514 109.434 108.800 0.199 0.000 2.525 1058 G HA2 -0.059 3.887 3.960 -0.024 0.000 0.685 1058 G HA3 -0.059 3.887 3.960 -0.024 0.000 0.685 1058 G C -1.405 173.545 174.900 0.082 0.000 1.290 1058 G CA -0.644 44.524 45.100 0.112 0.000 0.915 1058 G HN 0.914 nan 8.290 nan 0.000 0.548 1059 I N -1.874 118.731 120.570 0.059 0.000 2.783 1059 I HA 0.871 5.027 4.170 -0.024 0.000 0.312 1059 I C 1.293 177.433 176.117 0.038 0.000 0.988 1059 I CA 0.289 61.616 61.300 0.046 0.000 1.182 1059 I CB 1.746 39.768 38.000 0.036 0.000 1.368 1059 I HN 1.435 nan 8.210 nan 0.000 0.511 1060 A N 2.992 125.831 122.820 0.031 0.000 1.943 1060 A HA 0.501 4.807 4.320 -0.024 0.000 0.213 1060 A C 1.668 179.263 177.584 0.018 0.000 1.181 1060 A CA 0.572 52.623 52.037 0.023 0.000 0.653 1060 A CB -0.900 18.112 19.000 0.021 0.000 0.833 1060 A HN 1.988 nan 8.150 nan 0.000 0.451 1061 G N -0.699 108.112 108.800 0.018 0.000 2.309 1061 G HA2 0.166 4.112 3.960 -0.024 0.000 0.183 1061 G HA3 0.166 4.112 3.960 -0.024 0.000 0.183 1061 G C 0.006 174.912 174.900 0.010 0.000 1.063 1061 G CA 0.593 45.701 45.100 0.014 0.000 0.768 1061 G HN 1.871 nan 8.290 nan 0.000 0.490 1062 S N -1.731 113.975 115.700 0.010 0.000 2.636 1062 S HA 0.870 5.326 4.470 -0.024 0.000 0.268 1062 S C -0.780 173.822 174.600 0.003 0.000 1.159 1062 S CA 0.106 58.309 58.200 0.005 0.000 0.815 1062 S CB 2.450 65.651 63.200 0.002 0.000 1.130 1062 S HN 0.986 nan 8.310 nan 0.000 0.471 1063 T N 2.559 117.110 114.554 -0.004 0.000 2.928 1063 T HA 0.571 4.907 4.350 -0.024 0.000 0.296 1063 T C -0.509 174.175 174.700 -0.026 0.000 1.000 1063 T CA -0.777 61.318 62.100 -0.009 0.000 0.989 1063 T CB 1.152 70.017 68.868 -0.006 0.000 1.005 1063 T HN 0.875 nan 8.240 nan 0.000 0.442 1064 N N 1.413 120.090 118.700 -0.038 0.000 2.347 1064 N HA 0.157 4.882 4.740 -0.024 0.000 0.253 1064 N C 1.726 177.175 175.510 -0.102 0.000 1.274 1064 N CA -0.529 52.474 53.050 -0.077 0.000 0.941 1064 N CB 0.055 38.487 38.487 -0.092 0.000 1.200 1064 N HN 0.368 nan 8.380 nan 0.000 0.514 1065 V N -3.039 116.766 119.914 -0.182 0.000 2.469 1065 V HA -0.170 3.936 4.120 -0.024 0.000 0.251 1065 V C 1.292 177.309 176.094 -0.128 0.000 1.064 1065 V CA 2.159 64.355 62.300 -0.173 0.000 1.066 1065 V CB -1.785 29.870 31.823 -0.280 0.000 0.667 1065 V HN 0.830 nan 8.190 nan 0.000 0.461 1066 T N -1.530 112.945 114.554 -0.132 0.000 3.219 1066 T HA 0.457 4.793 4.350 -0.024 0.000 0.249 1066 T C 1.464 176.150 174.700 -0.024 0.000 1.099 1066 T CA 0.467 62.535 62.100 -0.053 0.000 0.988 1066 T CB -0.259 68.597 68.868 -0.019 0.000 0.999 1066 T HN 1.577 nan 8.240 nan 0.000 0.550 1067 G N 1.288 110.070 108.800 -0.030 0.000 2.176 1067 G HA2 -0.217 3.728 3.960 -0.024 0.000 0.252 1067 G HA3 -0.217 3.728 3.960 -0.024 0.000 0.252 1067 G C -0.389 174.513 174.900 0.003 0.000 1.024 1067 G CA -0.098 44.996 45.100 -0.010 0.000 0.755 1067 G HN 0.586 nan 8.290 nan 0.000 0.507 1068 D N -0.683 119.717 120.400 0.000 0.000 2.312 1068 D HA 0.525 5.151 4.640 -0.024 0.000 0.248 1068 D C 0.563 176.871 176.300 0.014 0.000 1.086 1068 D CA -0.154 53.856 54.000 0.016 0.000 0.948 1068 D CB 0.623 41.437 40.800 0.024 0.000 1.162 1068 D HN 0.248 nan 8.370 nan 0.000 0.446 1069 Q N 0.844 120.658 119.800 0.024 0.000 2.295 1069 Q HA 0.325 4.650 4.340 -0.024 0.000 0.259 1069 Q C -1.279 174.736 176.000 0.025 0.000 0.976 1069 Q CA -0.450 55.367 55.803 0.023 0.000 0.923 1069 Q CB 0.972 29.726 28.738 0.027 0.000 1.185 1069 Q HN 0.212 nan 8.270 nan 0.000 0.410 1070 V N 6.354 126.280 119.914 0.020 0.000 2.415 1070 V HA 0.116 4.222 4.120 -0.024 0.000 0.267 1070 V C 0.170 176.282 176.094 0.031 0.000 1.042 1070 V CA -0.285 62.028 62.300 0.021 0.000 1.000 1070 V CB 0.313 32.143 31.823 0.013 0.000 1.015 1070 V HN 0.681 nan 8.190 nan 0.000 0.478 1071 K N 4.292 124.716 120.400 0.040 0.000 2.126 1071 K HA 0.318 4.623 4.320 -0.024 0.000 0.257 1071 K C 1.102 177.728 176.600 0.043 0.000 1.007 1071 K CA -0.469 55.848 56.287 0.050 0.000 0.928 1071 K CB 1.065 33.604 32.500 0.065 0.000 1.013 1071 K HN 0.447 nan 8.250 nan 0.000 0.473 1072 K N 0.858 121.285 120.400 0.045 0.000 2.103 1072 K HA -0.106 4.200 4.320 -0.024 0.000 0.207 1072 K C 1.993 178.605 176.600 0.021 0.000 1.048 1072 K CA 1.190 57.495 56.287 0.030 0.000 0.930 1072 K CB -0.132 32.385 32.500 0.027 0.000 0.716 1072 K HN 0.313 nan 8.250 nan 0.000 0.444 1073 L N 1.127 122.367 121.223 0.028 0.000 2.275 1073 L HA -0.178 4.147 4.340 -0.024 0.000 0.215 1073 L C 1.677 178.564 176.870 0.029 0.000 1.119 1073 L CA 0.790 55.639 54.840 0.016 0.000 0.790 1073 L CB -0.298 41.775 42.059 0.023 0.000 0.919 1073 L HN 0.203 nan 8.230 nan 0.000 0.443 1074 D N -0.414 120.011 120.400 0.042 0.000 2.097 1074 D HA -0.153 4.472 4.640 -0.024 0.000 0.195 1074 D C 2.294 178.618 176.300 0.040 0.000 0.989 1074 D CA 1.213 55.241 54.000 0.047 0.000 0.827 1074 D CB -0.085 40.740 40.800 0.042 0.000 0.966 1074 D HN 0.119 nan 8.370 nan 0.000 0.456 1075 V N 1.270 121.201 119.914 0.028 0.000 2.295 1075 V HA -0.215 3.890 4.120 -0.024 0.000 0.246 1075 V C 2.499 178.604 176.094 0.019 0.000 1.049 1075 V CA 1.133 63.446 62.300 0.023 0.000 1.024 1075 V CB -0.511 31.320 31.823 0.015 0.000 0.648 1075 V HN 0.124 nan 8.190 nan 0.000 0.447 1076 L N 1.277 122.505 121.223 0.008 0.000 1.994 1076 L HA -0.158 4.168 4.340 -0.024 0.000 0.208 1076 L C 2.765 179.633 176.870 -0.002 0.000 1.071 1076 L CA 2.632 57.469 54.840 -0.005 0.000 0.745 1076 L CB -0.954 41.092 42.059 -0.021 0.000 0.892 1076 L HN 0.513 nan 8.230 nan 0.000 0.431 1077 S N -0.678 115.026 115.700 0.008 0.000 2.370 1077 S HA -0.265 4.191 4.470 -0.024 0.000 0.226 1077 S C 1.970 176.596 174.600 0.043 0.000 1.033 1077 S CA 1.566 59.779 58.200 0.021 0.000 1.011 1077 S CB -1.165 62.066 63.200 0.052 0.000 0.852 1077 S HN 0.632 nan 8.310 nan 0.000 0.457 1078 N N 2.035 120.782 118.700 0.078 0.000 2.106 1078 N HA -0.103 4.623 4.740 -0.024 0.000 0.188 1078 N C 1.287 176.848 175.510 0.085 0.000 1.029 1078 N CA 1.782 54.915 53.050 0.138 0.000 0.848 1078 N CB -0.518 38.043 38.487 0.124 0.000 1.007 1078 N HN 0.350 nan 8.380 nan 0.000 0.423 1079 D N 0.057 120.480 120.400 0.040 0.000 2.123 1079 D HA -0.118 4.508 4.640 -0.024 0.000 0.196 1079 D C 2.011 178.301 176.300 -0.016 0.000 0.992 1079 D CA 0.743 54.751 54.000 0.014 0.000 0.833 1079 D CB -0.331 40.471 40.800 0.004 0.000 0.954 1079 D HN 0.313 nan 8.370 nan 0.000 0.455 1080 L N 0.185 121.390 121.223 -0.030 0.000 2.046 1080 L HA -0.147 4.179 4.340 -0.024 0.000 0.208 1080 L C 2.524 179.332 176.870 -0.104 0.000 1.077 1080 L CA 0.635 55.441 54.840 -0.057 0.000 0.747 1080 L CB -0.260 41.769 42.059 -0.051 0.000 0.896 1080 L HN -0.046 nan 8.230 nan 0.000 0.432 1081 V N -0.055 119.771 119.914 -0.147 0.000 2.307 1081 V HA -0.264 3.842 4.120 -0.024 0.000 0.245 1081 V C 2.284 178.202 176.094 -0.293 0.000 1.045 1081 V CA 1.689 63.797 62.300 -0.320 0.000 1.024 1081 V CB -0.288 31.155 31.823 -0.634 0.000 0.651 1081 V HN 0.289 nan 8.190 nan 0.000 0.449 1082 I N 0.545 121.032 120.570 -0.138 0.000 2.127 1082 I HA -0.248 3.908 4.170 -0.024 0.000 0.241 1082 I C 2.449 178.528 176.117 -0.062 0.000 1.075 1082 I CA 1.615 62.899 61.300 -0.026 0.000 1.334 1082 I CB -0.584 37.466 38.000 0.083 0.000 1.040 1082 I HN 0.337 nan 8.210 nan 0.000 0.405 1083 N N 0.677 119.339 118.700 -0.064 0.000 2.104 1083 N HA -0.155 4.570 4.740 -0.024 0.000 0.190 1083 N C 1.972 177.421 175.510 -0.103 0.000 1.024 1083 N CA 1.936 54.942 53.050 -0.073 0.000 0.853 1083 N CB -0.628 37.824 38.487 -0.059 0.000 1.008 1083 N HN 0.441 nan 8.380 nan 0.000 0.424 1084 V N -0.845 118.998 119.914 -0.118 0.000 2.453 1084 V HA -0.049 4.056 4.120 -0.024 0.000 0.247 1084 V C 2.177 178.184 176.094 -0.145 0.000 1.048 1084 V CA 1.168 63.391 62.300 -0.127 0.000 1.049 1084 V CB -0.837 30.909 31.823 -0.129 0.000 0.672 1084 V HN 0.118 nan 8.190 nan 0.000 0.457 1085 L N -0.400 120.729 121.223 -0.158 0.000 2.093 1085 L HA -0.082 4.243 4.340 -0.024 0.000 0.208 1085 L C 2.910 179.710 176.870 -0.118 0.000 1.085 1085 L CA 1.852 56.609 54.840 -0.137 0.000 0.755 1085 L CB -0.608 41.371 42.059 -0.133 0.000 0.904 1085 L HN 0.282 nan 8.230 nan 0.000 0.435 1086 K N 0.090 120.419 120.400 -0.119 0.000 2.032 1086 K HA -0.185 4.121 4.320 -0.024 0.000 0.209 1086 K C 2.252 178.686 176.600 -0.277 0.000 1.048 1086 K CA 1.950 58.151 56.287 -0.144 0.000 0.927 1086 K CB -0.206 32.226 32.500 -0.113 0.000 0.712 1086 K HN 0.373 nan 8.250 nan 0.000 0.441 1087 S N 0.325 115.856 115.700 -0.282 0.000 2.522 1087 S HA -0.065 4.391 4.470 -0.024 0.000 0.227 1087 S C 1.896 176.217 174.600 -0.465 0.000 0.986 1087 S CA 0.974 58.916 58.200 -0.430 0.000 0.929 1087 S CB -0.076 62.982 63.200 -0.236 0.000 0.769 1087 S HN 0.285 nan 8.310 nan 0.000 0.529 1088 S N 0.966 116.522 115.700 -0.239 0.000 2.469 1088 S HA -0.016 4.440 4.470 -0.024 0.000 0.238 1088 S C 0.723 175.375 174.600 0.088 0.000 0.998 1088 S CA 0.529 58.690 58.200 -0.065 0.000 0.957 1088 S CB -1.213 61.958 63.200 -0.048 0.000 0.764 1088 S HN 0.563 nan 8.310 nan 0.000 0.514 1089 F N -0.436 119.518 119.950 0.007 0.000 3.034 1089 F HA -0.259 4.253 4.527 -0.024 0.000 0.286 1089 F C 1.287 177.110 175.800 0.038 0.000 0.804 1089 F CA 0.308 58.319 58.000 0.017 0.000 1.161 1089 F CB -1.789 37.217 39.000 0.011 0.000 1.317 1089 F HN 0.428 nan 8.300 nan 0.000 0.453 1090 A N -1.144 121.775 122.820 0.165 0.000 2.469 1090 A HA 0.503 4.809 4.320 -0.024 0.000 0.245 1090 A C 0.958 178.668 177.584 0.210 0.000 1.221 1090 A CA 0.820 52.979 52.037 0.202 0.000 0.946 1090 A CB 0.232 19.351 19.000 0.197 0.000 1.049 1090 A HN 0.439 nan 8.150 nan 0.000 0.529 1091 T N -4.120 110.511 114.554 0.128 0.000 2.916 1091 T HA 0.462 4.797 4.350 -0.024 0.000 0.292 1091 T C 0.517 175.264 174.700 0.078 0.000 1.055 1091 T CA -0.010 62.162 62.100 0.120 0.000 1.009 1091 T CB 1.427 70.351 68.868 0.093 0.000 1.118 1091 T HN 0.655 nan 8.240 nan 0.000 0.497 1092 C N 0.436 119.782 119.300 0.077 0.000 3.276 1092 C HA 0.664 5.109 4.460 -0.024 0.000 0.512 1092 C C -0.007 175.014 174.990 0.052 0.000 1.376 1092 C CA -0.330 58.719 59.018 0.052 0.000 2.319 1092 C CB -0.551 27.210 27.740 0.036 0.000 3.330 1092 C HN 0.679 nan 8.230 nan 0.000 0.596 1093 V N 2.369 122.325 119.914 0.071 0.000 2.638 1093 V HA 0.574 4.680 4.120 -0.024 0.000 0.306 1093 V C -0.888 175.264 176.094 0.097 0.000 1.052 1093 V CA -0.171 62.168 62.300 0.065 0.000 0.885 1093 V CB 1.830 33.681 31.823 0.046 0.000 0.999 1093 V HN 0.400 nan 8.190 nan 0.000 0.424 1094 L N 4.783 126.060 121.223 0.090 0.000 2.365 1094 L HA 0.768 5.094 4.340 -0.024 0.000 0.273 1094 L C -0.946 175.945 176.870 0.034 0.000 1.000 1094 L CA -0.882 54.038 54.840 0.135 0.000 0.819 1094 L CB 2.281 44.466 42.059 0.209 0.000 1.284 1094 L HN 0.342 nan 8.230 nan 0.000 0.418 1095 V N 1.665 121.560 119.914 -0.032 0.000 2.531 1095 V HA 0.533 4.639 4.120 -0.024 0.000 0.301 1095 V C -0.360 175.388 176.094 -0.576 0.000 1.034 1095 V CA -0.321 61.869 62.300 -0.183 0.000 0.865 1095 V CB 2.017 33.795 31.823 -0.075 0.000 0.995 1095 V HN 0.813 nan 8.190 nan 0.000 0.424 1096 S N 2.459 117.784 115.700 -0.625 0.000 2.542 1096 S HA 0.376 4.832 4.470 -0.024 0.000 0.293 1096 S C 0.818 175.026 174.600 -0.654 0.000 1.089 1096 S CA -0.318 57.275 58.200 -1.011 0.000 0.961 1096 S CB 2.003 64.651 63.200 -0.919 0.000 1.062 1096 S HN 0.918 nan 8.310 nan 0.000 0.483 1097 E N 1.769 121.378 120.200 -0.985 0.000 2.171 1097 E HA -0.171 4.165 4.350 -0.024 0.000 0.197 1097 E C 0.618 177.073 176.600 -0.242 0.000 0.997 1097 E CA 1.426 57.418 56.400 -0.681 0.000 0.810 1097 E CB 0.038 29.402 29.700 -0.560 0.000 0.738 1097 E HN 0.661 nan 8.360 nan 0.000 0.467 1098 E N 0.679 120.757 120.200 -0.203 0.000 2.489 1098 E HA 0.056 4.391 4.350 -0.024 0.000 0.193 1098 E C -0.632 175.928 176.600 -0.067 0.000 1.057 1098 E CA 0.378 56.719 56.400 -0.099 0.000 0.866 1098 E CB 0.221 29.895 29.700 -0.043 0.000 0.916 1098 E HN 0.313 nan 8.360 nan 0.000 0.500 1099 D N -0.166 120.203 120.400 -0.051 0.000 2.502 1099 D HA 0.173 4.799 4.640 -0.024 0.000 0.249 1099 D C 0.650 177.024 176.300 0.122 0.000 1.092 1099 D CA -0.447 53.559 54.000 0.008 0.000 0.839 1099 D CB 1.846 42.643 40.800 -0.005 0.000 1.264 1099 D HN -0.296 nan 8.370 nan 0.000 0.511 1100 K N 1.071 121.521 120.400 0.083 0.000 2.044 1100 K HA -0.145 4.160 4.320 -0.024 0.000 0.210 1100 K C 0.115 176.838 176.600 0.204 0.000 1.049 1100 K CA 1.122 57.490 56.287 0.136 0.000 0.927 1100 K CB -0.129 32.403 32.500 0.053 0.000 0.713 1100 K HN 0.386 nan 8.250 nan 0.000 0.443 1101 N N -0.935 117.824 118.700 0.098 0.000 2.404 1101 N HA 0.354 5.080 4.740 -0.024 0.000 0.297 1101 N C -1.371 174.148 175.510 0.015 0.000 1.163 1101 N CA -0.499 52.581 53.050 0.049 0.000 0.864 1101 N CB 1.549 40.054 38.487 0.030 0.000 1.247 1101 N HN 0.128 nan 8.380 nan 0.000 0.510 1102 A N 1.130 123.941 122.820 -0.015 0.000 2.531 1102 A HA 0.155 4.460 4.320 -0.024 0.000 0.236 1102 A C -0.141 177.444 177.584 0.002 0.000 1.062 1102 A CA 0.092 52.117 52.037 -0.020 0.000 0.760 1102 A CB -0.211 18.775 19.000 -0.023 0.000 0.995 1102 A HN 0.502 nan 8.150 nan 0.000 0.501 1103 I N 2.844 123.420 120.570 0.011 0.000 2.395 1103 I HA 0.223 4.378 4.170 -0.024 0.000 0.289 1103 I C 0.126 176.259 176.117 0.028 0.000 1.023 1103 I CA -0.137 61.178 61.300 0.025 0.000 1.350 1103 I CB 0.696 38.721 38.000 0.043 0.000 1.409 1103 I HN 0.431 nan 8.210 nan 0.000 0.507 1104 I N 6.516 127.099 120.570 0.021 0.000 2.321 1104 I HA 0.264 4.419 4.170 -0.024 0.000 0.291 1104 I C 0.151 176.280 176.117 0.019 0.000 0.998 1104 I CA -0.828 60.484 61.300 0.020 0.000 1.227 1104 I CB 1.403 39.412 38.000 0.014 0.000 1.368 1104 I HN 0.157 nan 8.210 nan 0.000 0.466 1105 V N 5.712 125.639 119.914 0.021 0.000 2.740 1105 V HA -0.011 4.095 4.120 -0.024 0.000 0.303 1105 V C 0.744 176.844 176.094 0.011 0.000 1.054 1105 V CA -0.565 61.742 62.300 0.012 0.000 1.106 1105 V CB 0.556 32.386 31.823 0.012 0.000 0.957 1105 V HN 0.894 nan 8.190 nan 0.000 0.486 1106 E N 5.645 125.847 120.200 0.005 0.000 2.415 1106 E HA 0.058 4.394 4.350 -0.024 0.000 0.262 1106 E C -1.995 174.620 176.600 0.025 0.000 1.038 1106 E CA -1.222 55.185 56.400 0.012 0.000 0.921 1106 E CB 0.510 30.215 29.700 0.008 0.000 0.950 1106 E HN 0.373 nan 8.360 nan 0.000 0.438 1107 P HA -0.278 nan 4.420 nan 0.000 0.217 1107 P C 1.138 178.473 177.300 0.059 0.000 1.151 1107 P CA 1.948 65.070 63.100 0.036 0.000 0.849 1107 P CB 0.070 31.787 31.700 0.028 0.000 0.787 1108 E N 0.076 120.316 120.200 0.066 0.000 2.153 1108 E HA -0.199 4.137 4.350 -0.024 0.000 0.194 1108 E C 1.073 177.790 176.600 0.195 0.000 0.988 1108 E CA 1.192 57.657 56.400 0.108 0.000 0.811 1108 E CB -0.150 29.608 29.700 0.096 0.000 0.746 1108 E HN 0.181 nan 8.360 nan 0.000 0.466 1109 K N 0.094 120.572 120.400 0.131 0.000 2.373 1109 K HA 0.191 4.496 4.320 -0.024 0.000 0.202 1109 K C -0.153 176.522 176.600 0.126 0.000 1.025 1109 K CA -0.304 56.055 56.287 0.121 0.000 1.115 1109 K CB 0.636 33.041 32.500 -0.159 0.000 0.858 1109 K HN -0.052 nan 8.250 nan 0.000 0.525 1110 R N 0.490 121.059 120.500 0.115 0.000 2.543 1110 R HA 0.226 4.552 4.340 -0.024 0.000 0.277 1110 R C 0.469 176.833 176.300 0.108 0.000 1.074 1110 R CA -0.060 56.091 56.100 0.085 0.000 1.076 1110 R CB 1.009 31.342 30.300 0.055 0.000 0.993 1110 R HN 0.128 nan 8.270 nan 0.000 0.459 1111 G N 0.396 109.250 108.800 0.090 0.000 3.140 1111 G HA2 0.222 4.168 3.960 -0.024 0.000 0.271 1111 G HA3 0.222 4.168 3.960 -0.024 0.000 0.271 1111 G C -0.050 174.855 174.900 0.008 0.000 1.370 1111 G CA -0.733 44.415 45.100 0.080 0.000 1.014 1111 G HN 0.615 nan 8.290 nan 0.000 0.541 1112 K N -1.370 118.970 120.400 -0.100 0.000 2.426 1112 K HA 0.196 4.502 4.320 -0.024 0.000 0.193 1112 K C -0.572 175.855 176.600 -0.289 0.000 1.028 1112 K CA 0.236 56.375 56.287 -0.246 0.000 1.047 1112 K CB 0.030 32.288 32.500 -0.403 0.000 0.821 1112 K HN 0.330 nan 8.250 nan 0.000 0.513 1113 Y N 0.897 121.226 120.300 0.049 0.000 2.419 1113 Y HA 0.350 4.887 4.550 -0.023 0.000 0.328 1113 Y C 0.049 175.997 175.900 0.079 0.000 1.162 1113 Y CA -1.327 56.810 58.100 0.062 0.000 1.174 1113 Y CB 1.668 40.155 38.460 0.045 0.000 1.228 1113 Y HN -0.318 nan 8.280 nan 0.000 0.473 1114 V N 3.535 123.629 119.914 0.299 0.000 2.398 1114 V HA 0.481 4.586 4.120 -0.024 0.000 0.286 1114 V C -0.690 175.577 176.094 0.288 0.000 1.026 1114 V CA -0.841 61.607 62.300 0.247 0.000 0.868 1114 V CB 1.335 33.287 31.823 0.215 0.000 0.982 1114 V HN 0.500 nan 8.190 nan 0.000 0.443 1115 V N 3.711 123.774 119.914 0.249 0.000 2.487 1115 V HA 0.405 4.511 4.120 -0.024 0.000 0.298 1115 V C -0.259 176.030 176.094 0.325 0.000 1.028 1115 V CA -0.495 61.971 62.300 0.276 0.000 0.860 1115 V CB 1.751 33.715 31.823 0.235 0.000 0.991 1115 V HN 0.961 nan 8.190 nan 0.000 0.427 1116 C N 6.404 125.903 119.300 0.330 0.000 2.303 1116 C HA 0.880 5.326 4.460 -0.024 0.000 0.326 1116 C C -0.198 175.004 174.990 0.355 0.000 1.285 1116 C CA -0.772 58.408 59.018 0.270 0.000 1.675 1116 C CB -0.553 27.367 27.740 0.300 0.000 2.289 1116 C HN 0.845 nan 8.230 nan 0.000 0.512 1117 F N 0.450 120.490 119.950 0.149 0.000 2.662 1117 F HA 0.686 5.200 4.527 -0.022 0.000 0.312 1117 F C -1.076 174.708 175.800 -0.026 0.000 1.113 1117 F CA -1.131 56.952 58.000 0.138 0.000 0.951 1117 F CB 1.072 40.148 39.000 0.127 0.000 1.344 1117 F HN 0.325 nan 8.300 nan 0.000 0.462 1118 D N 2.980 123.535 120.400 0.258 0.000 2.441 1118 D HA 0.402 5.028 4.640 -0.024 0.000 0.231 1118 D C -1.864 174.608 176.300 0.287 0.000 1.073 1118 D CA -2.752 51.326 54.000 0.131 0.000 0.850 1118 D CB 1.928 42.852 40.800 0.208 0.000 1.062 1118 D HN 0.262 nan 8.370 nan 0.000 0.524 1119 P HA -0.051 nan 4.420 nan 0.000 0.217 1119 P C 0.155 177.586 177.300 0.219 0.000 1.150 1119 P CA 0.346 63.628 63.100 0.303 0.000 0.832 1119 P CB 0.717 32.577 31.700 0.266 0.000 0.787 1120 L N 0.131 121.462 121.223 0.179 0.000 2.491 1120 L HA 0.445 4.771 4.340 -0.024 0.000 0.267 1120 L C -1.343 175.613 176.870 0.143 0.000 0.971 1120 L CA -0.948 53.996 54.840 0.174 0.000 0.857 1120 L CB 1.662 43.800 42.059 0.131 0.000 1.226 1120 L HN -0.287 nan 8.230 nan 0.000 0.408 1121 D N 3.437 123.923 120.400 0.143 0.000 2.168 1121 D HA 0.675 5.301 4.640 -0.024 0.000 0.246 1121 D C 0.667 177.016 176.300 0.081 0.000 1.050 1121 D CA 0.654 54.714 54.000 0.100 0.000 0.857 1121 D CB 1.491 42.332 40.800 0.069 0.000 1.169 1121 D HN 0.872 nan 8.370 nan 0.000 0.453 1122 G N 2.439 111.281 108.800 0.069 0.000 2.226 1122 G HA2 -0.242 3.704 3.960 -0.024 0.000 0.176 1122 G HA3 -0.242 3.704 3.960 -0.024 0.000 0.176 1122 G C 0.969 175.910 174.900 0.067 0.000 1.042 1122 G CA 0.351 45.484 45.100 0.056 0.000 0.732 1122 G HN 0.679 nan 8.290 nan 0.000 0.494 1123 S N -0.052 115.693 115.700 0.074 0.000 2.387 1123 S HA -0.198 4.258 4.470 -0.024 0.000 0.230 1123 S C 2.640 177.276 174.600 0.060 0.000 1.035 1123 S CA 2.247 60.490 58.200 0.071 0.000 1.014 1123 S CB -0.555 62.686 63.200 0.069 0.000 0.836 1123 S HN 1.896 nan 8.310 nan 0.000 0.466 1124 S N 1.993 117.730 115.700 0.062 0.000 2.481 1124 S HA 0.054 4.510 4.470 -0.024 0.000 0.231 1124 S C 1.423 176.043 174.600 0.032 0.000 0.996 1124 S CA 0.636 58.868 58.200 0.053 0.000 0.942 1124 S CB -0.484 62.761 63.200 0.075 0.000 0.768 1124 S HN 0.478 nan 8.310 nan 0.000 0.520 1125 N N 0.893 119.612 118.700 0.031 0.000 2.280 1125 N HA 0.270 4.996 4.740 -0.024 0.000 0.192 1125 N C 1.124 176.637 175.510 0.005 0.000 1.109 1125 N CA 0.007 53.065 53.050 0.013 0.000 0.855 1125 N CB -0.027 38.468 38.487 0.014 0.000 0.974 1125 N HN 0.337 nan 8.380 nan 0.000 0.482 1126 I N 1.390 121.972 120.570 0.020 0.000 2.113 1126 I HA -0.224 3.931 4.170 -0.024 0.000 0.238 1126 I C 1.277 177.333 176.117 -0.101 0.000 1.070 1126 I CA 1.493 62.818 61.300 0.040 0.000 1.332 1126 I CB -0.802 37.259 38.000 0.103 0.000 1.044 1126 I HN 0.005 nan 8.210 nan 0.000 0.402 1127 D N 0.236 120.519 120.400 -0.195 0.000 2.310 1127 D HA -0.098 4.528 4.640 -0.024 0.000 0.212 1127 D C 1.837 177.906 176.300 -0.385 0.000 0.965 1127 D CA 0.859 54.586 54.000 -0.454 0.000 0.879 1127 D CB -0.155 40.491 40.800 -0.257 0.000 0.921 1127 D HN 0.524 nan 8.370 nan 0.000 0.510 1128 C N -0.790 118.391 119.300 -0.198 0.000 2.780 1128 C HA 0.427 4.873 4.460 -0.024 0.000 0.287 1128 C C 0.993 175.927 174.990 -0.093 0.000 1.288 1128 C CA -0.686 58.252 59.018 -0.133 0.000 1.713 1128 C CB -1.212 26.486 27.740 -0.071 0.000 1.955 1128 C HN 0.149 nan 8.230 nan 0.000 0.613 1129 L N -0.149 121.014 121.223 -0.100 0.000 4.232 1129 L HA -0.155 4.171 4.340 -0.024 0.000 0.415 1129 L C 0.509 177.385 176.870 0.011 0.000 1.168 1129 L CA 0.577 55.407 54.840 -0.017 0.000 0.966 1129 L CB -2.297 39.759 42.059 -0.004 0.000 2.052 1129 L HN 0.476 nan 8.230 nan 0.000 0.887 1130 V N -0.602 119.314 119.914 0.003 0.000 3.003 1130 V HA 0.289 4.395 4.120 -0.024 0.000 0.305 1130 V C 1.379 177.492 176.094 0.032 0.000 1.078 1130 V CA -0.172 62.135 62.300 0.012 0.000 1.083 1130 V CB 1.625 33.447 31.823 -0.000 0.000 1.039 1130 V HN 0.358 nan 8.190 nan 0.000 0.481 1131 S N 3.758 119.474 115.700 0.026 0.000 2.573 1131 S HA 0.212 4.668 4.470 -0.024 0.000 0.297 1131 S C -0.115 174.514 174.600 0.049 0.000 1.280 1131 S CA 0.228 58.452 58.200 0.039 0.000 1.061 1131 S CB -0.310 62.891 63.200 0.001 0.000 0.812 1131 S HN 0.568 nan 8.310 nan 0.000 0.500 1132 I N -1.008 119.628 120.570 0.110 0.000 3.343 1132 I HA 1.053 5.209 4.170 -0.024 0.000 0.315 1132 I C 0.205 176.419 176.117 0.162 0.000 1.153 1132 I CA -1.145 60.237 61.300 0.136 0.000 0.952 1132 I CB 1.967 40.076 38.000 0.183 0.000 1.287 1132 I HN 0.663 nan 8.210 nan 0.000 0.472 1133 G N -0.139 108.759 108.800 0.163 0.000 2.619 1133 G HA2 0.637 4.582 3.960 -0.024 0.000 0.305 1133 G HA3 0.637 4.582 3.960 -0.024 0.000 0.305 1133 G C -1.772 173.214 174.900 0.143 0.000 1.330 1133 G CA -0.545 44.541 45.100 -0.024 0.000 0.789 1133 G HN 0.669 nan 8.290 nan 0.000 0.487 1134 T N 0.504 115.105 114.554 0.078 0.000 2.928 1134 T HA 0.612 4.948 4.350 -0.024 0.000 0.296 1134 T C -0.630 174.203 174.700 0.221 0.000 1.000 1134 T CA -0.119 62.105 62.100 0.206 0.000 0.989 1134 T CB 1.141 70.163 68.868 0.256 0.000 1.005 1134 T HN 0.463 nan 8.240 nan 0.000 0.442 1135 I N 4.136 124.856 120.570 0.250 0.000 2.530 1135 I HA 0.749 4.904 4.170 -0.024 0.000 0.297 1135 I C -0.917 175.382 176.117 0.304 0.000 1.011 1135 I CA -1.178 60.240 61.300 0.196 0.000 1.107 1135 I CB 1.667 39.743 38.000 0.127 0.000 1.285 1135 I HN 0.645 nan 8.210 nan 0.000 0.436 1136 F N 2.236 122.274 119.950 0.146 0.000 2.631 1136 F HA 0.929 5.441 4.527 -0.025 0.000 0.308 1136 F C -0.440 175.394 175.800 0.056 0.000 1.097 1136 F CA -0.925 57.157 58.000 0.137 0.000 0.952 1136 F CB 1.532 40.571 39.000 0.065 0.000 1.307 1136 F HN 0.429 nan 8.300 nan 0.000 0.450 1137 G N 2.721 111.641 108.800 0.200 0.000 2.662 1137 G HA2 0.681 4.627 3.960 -0.024 0.000 0.302 1137 G HA3 0.681 4.627 3.960 -0.024 0.000 0.302 1137 G C -1.863 173.009 174.900 -0.047 0.000 1.389 1137 G CA -0.910 44.163 45.100 -0.045 0.000 0.998 1137 G HN 0.677 nan 8.290 nan 0.000 0.502 1138 I N 1.611 122.041 120.570 -0.234 0.000 2.436 1138 I HA 0.388 4.544 4.170 -0.024 0.000 0.289 1138 I C -1.042 174.874 176.117 -0.335 0.000 1.010 1138 I CA -0.758 60.447 61.300 -0.157 0.000 1.098 1138 I CB 1.771 39.700 38.000 -0.119 0.000 1.266 1138 I HN 0.407 nan 8.210 nan 0.000 0.434 1139 Y N 4.040 124.404 120.300 0.107 0.000 2.487 1139 Y HA 0.494 5.030 4.550 -0.023 0.000 0.337 1139 Y C 0.580 176.617 175.900 0.229 0.000 1.076 1139 Y CA -0.804 57.366 58.100 0.118 0.000 1.115 1139 Y CB 1.466 39.965 38.460 0.065 0.000 1.235 1139 Y HN 0.441 nan 8.280 nan 0.000 0.468 1140 R N 2.357 123.053 120.500 0.326 0.000 2.357 1140 R HA 0.223 4.549 4.340 -0.024 0.000 0.296 1140 R C -0.396 175.950 176.300 0.076 0.000 1.052 1140 R CA -0.729 55.446 56.100 0.124 0.000 0.988 1140 R CB 0.640 30.969 30.300 0.048 0.000 1.025 1140 R HN 0.726 nan 8.270 nan 0.000 0.469 1141 K N 3.240 123.640 120.400 0.000 0.000 2.401 1141 K HA -0.017 4.289 4.320 -0.024 0.000 0.278 1141 K C -0.083 176.509 176.600 -0.014 0.000 1.018 1141 K CA -0.072 56.215 56.287 -0.000 0.000 0.981 1141 K CB 0.638 33.130 32.500 -0.014 0.000 0.933 1141 K HN 0.585 nan 8.250 nan 0.000 0.477 1142 N N 1.015 119.709 118.700 -0.009 0.000 2.510 1142 N HA -0.050 4.675 4.740 -0.024 0.000 0.186 1142 N C -0.026 175.476 175.510 -0.014 0.000 1.051 1142 N CA 0.414 53.459 53.050 -0.010 0.000 0.877 1142 N CB -0.121 38.364 38.487 -0.004 0.000 1.183 1142 N HN 0.717 nan 8.380 nan 0.000 0.443 1143 S N 0.267 115.957 115.700 -0.017 0.000 2.592 1143 S HA 0.048 4.503 4.470 -0.024 0.000 0.256 1143 S C 1.288 175.879 174.600 -0.015 0.000 1.369 1143 S CA 0.629 58.819 58.200 -0.016 0.000 0.984 1143 S CB 0.521 63.711 63.200 -0.017 0.000 0.919 1143 S HN 0.424 nan 8.310 nan 0.000 0.576 1144 T N -3.621 110.925 114.554 -0.012 0.000 3.043 1144 T HA 0.232 4.568 4.350 -0.024 0.000 0.272 1144 T C -0.182 174.512 174.700 -0.009 0.000 0.990 1144 T CA 0.067 62.161 62.100 -0.011 0.000 0.897 1144 T CB -0.487 68.375 68.868 -0.010 0.000 1.111 1144 T HN 0.741 nan 8.240 nan 0.000 0.529 1145 D N 0.757 121.151 120.400 -0.009 0.000 2.466 1145 D HA 0.320 4.945 4.640 -0.024 0.000 0.262 1145 D C 0.067 176.363 176.300 -0.006 0.000 1.177 1145 D CA -0.824 53.172 54.000 -0.007 0.000 1.035 1145 D CB 0.311 41.106 40.800 -0.007 0.000 1.105 1145 D HN -0.107 nan 8.370 nan 0.000 0.551 1146 E N 0.788 120.986 120.200 -0.004 0.000 2.502 1146 E HA 0.061 4.397 4.350 -0.024 0.000 0.261 1146 E C -1.826 174.772 176.600 -0.003 0.000 0.974 1146 E CA -0.866 55.533 56.400 -0.002 0.000 0.936 1146 E CB -0.060 29.640 29.700 -0.000 0.000 0.926 1146 E HN 0.376 nan 8.360 nan 0.000 0.459 1147 P HA -0.027 nan 4.420 nan 0.000 0.268 1147 P C -0.593 176.707 177.300 0.000 0.000 1.204 1147 P CA 0.169 63.270 63.100 0.002 0.000 0.768 1147 P CB 0.722 32.428 31.700 0.009 0.000 0.842 1148 S N -0.004 115.694 115.700 -0.004 0.000 2.643 1148 S HA 0.188 4.644 4.470 -0.024 0.000 0.270 1148 S C 0.990 175.581 174.600 -0.015 0.000 1.166 1148 S CA -0.742 57.453 58.200 -0.007 0.000 0.815 1148 S CB 1.303 64.497 63.200 -0.010 0.000 1.139 1148 S HN 0.401 nan 8.310 nan 0.000 0.472 1149 E N 0.908 121.097 120.200 -0.019 0.000 2.147 1149 E HA -0.253 4.082 4.350 -0.024 0.000 0.199 1149 E C 1.794 178.367 176.600 -0.045 0.000 1.005 1149 E CA 1.725 58.106 56.400 -0.032 0.000 0.810 1149 E CB -0.165 29.516 29.700 -0.031 0.000 0.736 1149 E HN 0.607 nan 8.360 nan 0.000 0.460 1150 K N 0.365 120.740 120.400 -0.041 0.000 2.103 1150 K HA -0.201 4.104 4.320 -0.024 0.000 0.207 1150 K C 1.311 177.870 176.600 -0.068 0.000 1.048 1150 K CA 1.763 58.020 56.287 -0.051 0.000 0.930 1150 K CB -0.005 32.472 32.500 -0.038 0.000 0.716 1150 K HN 0.182 nan 8.250 nan 0.000 0.444 1151 D N 0.041 120.408 120.400 -0.055 0.000 2.309 1151 D HA -0.126 4.499 4.640 -0.024 0.000 0.212 1151 D C 1.396 177.629 176.300 -0.111 0.000 0.968 1151 D CA 0.972 54.933 54.000 -0.065 0.000 0.882 1151 D CB 0.176 40.959 40.800 -0.028 0.000 0.918 1151 D HN 0.372 nan 8.370 nan 0.000 0.503 1152 A N 0.269 123.025 122.820 -0.107 0.000 2.132 1152 A HA 0.078 4.383 4.320 -0.024 0.000 0.213 1152 A C 1.581 179.028 177.584 -0.227 0.000 1.154 1152 A CA -0.050 51.900 52.037 -0.145 0.000 0.753 1152 A CB -0.110 18.850 19.000 -0.067 0.000 0.826 1152 A HN 0.145 nan 8.150 nan 0.000 0.469 1153 L N 1.448 122.562 121.223 -0.182 0.000 2.727 1153 L HA 0.139 4.464 4.340 -0.024 0.000 0.237 1153 L C -0.183 176.566 176.870 -0.200 0.000 1.370 1153 L CA -0.106 54.635 54.840 -0.166 0.000 1.248 1153 L CB -0.434 41.561 42.059 -0.106 0.000 1.556 1153 L HN 0.469 nan 8.230 nan 0.000 0.420 1154 Q N 1.467 121.062 119.800 -0.342 0.000 2.257 1154 Q HA 0.463 4.788 4.340 -0.024 0.000 0.262 1154 Q C -2.280 173.594 176.000 -0.211 0.000 0.997 1154 Q CA -2.114 53.492 55.803 -0.328 0.000 0.873 1154 Q CB 1.738 30.154 28.738 -0.537 0.000 1.312 1154 Q HN 0.068 nan 8.270 nan 0.000 0.450 1155 P HA -0.047 nan 4.420 nan 0.000 0.271 1155 P C 0.360 177.747 177.300 0.146 0.000 1.218 1155 P CA 0.164 63.278 63.100 0.023 0.000 0.780 1155 P CB 0.665 32.384 31.700 0.032 0.000 0.901 1156 G N 3.359 112.259 108.800 0.167 0.000 2.485 1156 G HA2 -0.288 3.658 3.960 -0.024 0.000 0.221 1156 G HA3 -0.288 3.658 3.960 -0.024 0.000 0.221 1156 G C 1.415 176.437 174.900 0.204 0.000 1.115 1156 G CA 0.439 45.672 45.100 0.222 0.000 0.751 1156 G HN 0.685 nan 8.290 nan 0.000 0.567 1157 R N -0.017 120.587 120.500 0.173 0.000 2.293 1157 R HA 0.044 4.370 4.340 -0.024 0.000 0.219 1157 R C 1.317 177.722 176.300 0.176 0.000 1.091 1157 R CA 1.231 57.434 56.100 0.171 0.000 1.004 1157 R CB -0.359 30.013 30.300 0.119 0.000 0.865 1157 R HN 0.136 nan 8.270 nan 0.000 0.469 1158 N N 0.702 119.534 118.700 0.220 0.000 2.398 1158 N HA 0.123 4.849 4.740 -0.024 0.000 0.188 1158 N C -0.003 175.638 175.510 0.219 0.000 1.122 1158 N CA 0.188 53.385 53.050 0.244 0.000 0.866 1158 N CB 0.112 38.755 38.487 0.261 0.000 0.970 1158 N HN 0.170 nan 8.380 nan 0.000 0.462 1159 L N 0.198 121.402 121.223 -0.033 0.000 2.485 1159 L HA 0.008 4.334 4.340 -0.024 0.000 0.275 1159 L C 1.298 177.960 176.870 -0.347 0.000 1.207 1159 L CA -0.129 54.380 54.840 -0.550 0.000 0.855 1159 L CB 0.938 42.382 42.059 -1.025 0.000 1.114 1159 L HN -0.082 nan 8.230 nan 0.000 0.485 1160 V N 1.740 121.472 119.914 -0.304 0.000 3.523 1160 V HA 0.348 4.453 4.120 -0.024 0.000 0.255 1160 V C 0.485 176.515 176.094 -0.106 0.000 1.226 1160 V CA 0.794 63.042 62.300 -0.085 0.000 1.092 1160 V CB 0.524 32.380 31.823 0.056 0.000 0.817 1160 V HN 0.833 nan 8.190 nan 0.000 0.458 1161 A N -0.476 122.181 122.820 -0.273 0.000 2.604 1161 A HA 0.942 5.248 4.320 -0.024 0.000 0.295 1161 A C -1.022 176.412 177.584 -0.249 0.000 1.067 1161 A CA 0.154 52.107 52.037 -0.141 0.000 0.683 1161 A CB 1.696 20.678 19.000 -0.029 0.000 1.281 1161 A HN 0.801 nan 8.150 nan 0.000 0.407 1162 A N -0.362 122.395 122.820 -0.106 0.000 2.601 1162 A HA 1.043 5.349 4.320 -0.024 0.000 0.291 1162 A C -0.075 177.244 177.584 -0.443 0.000 1.075 1162 A CA 0.178 52.049 52.037 -0.276 0.000 0.671 1162 A CB 0.938 19.772 19.000 -0.278 0.000 1.277 1162 A HN 2.797 nan 8.150 nan 0.000 0.417 1163 G N -1.238 106.908 108.800 -1.089 0.000 2.335 1163 G HA2 0.683 4.628 3.960 -0.024 0.000 0.291 1163 G HA3 0.683 4.628 3.960 -0.024 0.000 0.291 1163 G C -1.537 172.840 174.900 -0.871 0.000 1.261 1163 G CA 0.420 45.012 45.100 -0.846 0.000 0.871 1163 G HN 2.258 nan 8.290 nan 0.000 0.491 1164 Y N -2.414 117.650 120.300 -0.394 0.000 2.624 1164 Y HA 0.842 5.377 4.550 -0.025 0.000 0.334 1164 Y C -0.203 175.664 175.900 -0.055 0.000 1.155 1164 Y CA -1.297 56.700 58.100 -0.172 0.000 1.046 1164 Y CB 1.116 39.474 38.460 -0.170 0.000 1.316 1164 Y HN 1.347 nan 8.280 nan 0.000 0.457 1165 A N 2.174 125.045 122.820 0.086 0.000 2.305 1165 A HA 0.704 5.009 4.320 -0.024 0.000 0.322 1165 A C -1.694 175.703 177.584 -0.312 0.000 1.187 1165 A CA -0.663 51.282 52.037 -0.154 0.000 0.825 1165 A CB 1.138 19.988 19.000 -0.250 0.000 1.164 1165 A HN 0.838 nan 8.150 nan 0.000 0.498 1166 L N 3.090 124.133 121.223 -0.300 0.000 2.294 1166 L HA 0.545 4.871 4.340 -0.024 0.000 0.283 1166 L C -1.510 175.155 176.870 -0.342 0.000 1.015 1166 L CA -0.370 54.285 54.840 -0.307 0.000 0.831 1166 L CB 0.501 42.446 42.059 -0.191 0.000 1.217 1166 L HN 0.565 nan 8.230 nan 0.000 0.420 1167 Y N 5.258 125.583 120.300 0.043 0.000 2.632 1167 Y HA 0.608 5.142 4.550 -0.026 0.000 0.336 1167 Y C 1.014 176.924 175.900 0.017 0.000 1.237 1167 Y CA -0.175 57.947 58.100 0.037 0.000 1.595 1167 Y CB -0.057 38.431 38.460 0.046 0.000 1.508 1167 Y HN 0.689 nan 8.280 nan 0.000 0.480 1168 G N 0.287 109.140 108.800 0.089 0.000 3.175 1168 G HA2 0.213 4.158 3.960 -0.024 0.000 0.153 1168 G HA3 0.213 4.158 3.960 -0.024 0.000 0.153 1168 G C 0.951 175.882 174.900 0.051 0.000 1.216 1168 G CA -0.103 45.025 45.100 0.046 0.000 0.943 1168 G HN 0.378 nan 8.290 nan 0.000 0.611 1169 S N -0.744 114.976 115.700 0.033 0.000 2.399 1169 S HA 0.302 4.758 4.470 -0.024 0.000 0.231 1169 S C 1.048 175.668 174.600 0.034 0.000 1.022 1169 S CA 1.337 59.557 58.200 0.034 0.000 0.983 1169 S CB -0.328 62.890 63.200 0.030 0.000 0.803 1169 S HN 1.327 nan 8.310 nan 0.000 0.480 1170 A N 0.147 122.985 122.820 0.031 0.000 2.485 1170 A HA 0.722 5.028 4.320 -0.024 0.000 0.292 1170 A C -0.485 177.126 177.584 0.044 0.000 1.147 1170 A CA -0.708 51.349 52.037 0.033 0.000 0.750 1170 A CB 1.166 20.180 19.000 0.022 0.000 1.331 1170 A HN 0.172 nan 8.150 nan 0.000 0.419 1171 T N 1.379 115.972 114.554 0.064 0.000 2.749 1171 T HA 0.546 4.882 4.350 -0.024 0.000 0.287 1171 T C -0.500 174.262 174.700 0.103 0.000 0.970 1171 T CA 0.172 62.337 62.100 0.109 0.000 0.980 1171 T CB 0.426 69.413 68.868 0.198 0.000 0.924 1171 T HN 0.576 nan 8.240 nan 0.000 0.456 1172 M N 4.593 124.215 119.600 0.036 0.000 2.393 1172 M HA 0.572 5.038 4.480 -0.024 0.000 0.316 1172 M C -1.774 174.528 176.300 0.003 0.000 1.087 1172 M CA -1.046 54.270 55.300 0.026 0.000 0.937 1172 M CB 1.536 34.059 32.600 -0.128 0.000 1.668 1172 M HN 0.359 nan 8.290 nan 0.000 0.438 1173 L N 6.048 127.300 121.223 0.048 0.000 2.298 1173 L HA 0.630 4.956 4.340 -0.024 0.000 0.284 1173 L C -1.649 175.162 176.870 -0.098 0.000 1.013 1173 L CA -0.565 54.202 54.840 -0.121 0.000 0.824 1173 L CB 1.392 43.205 42.059 -0.410 0.000 1.221 1173 L HN 0.589 nan 8.230 nan 0.000 0.418 1174 V N 6.486 126.187 119.914 -0.356 0.000 2.370 1174 V HA 0.401 4.506 4.120 -0.024 0.000 0.283 1174 V C -0.243 175.671 176.094 -0.299 0.000 1.023 1174 V CA -0.643 61.401 62.300 -0.427 0.000 0.857 1174 V CB 1.853 33.112 31.823 -0.939 0.000 0.985 1174 V HN 0.590 nan 8.190 nan 0.000 0.443 1175 L N 5.432 126.622 121.223 -0.055 0.000 2.376 1175 L HA 0.924 5.250 4.340 -0.024 0.000 0.275 1175 L C -0.063 176.842 176.870 0.058 0.000 0.987 1175 L CA -0.327 54.541 54.840 0.046 0.000 0.828 1175 L CB 1.482 43.632 42.059 0.150 0.000 1.249 1175 L HN 0.698 nan 8.230 nan 0.000 0.409 1176 A N 6.251 129.116 122.820 0.075 0.000 2.330 1176 A HA 0.928 5.233 4.320 -0.024 0.000 0.327 1176 A C -0.622 177.121 177.584 0.266 0.000 1.155 1176 A CA -0.553 51.559 52.037 0.124 0.000 0.803 1176 A CB 1.067 20.113 19.000 0.077 0.000 1.208 1176 A HN 0.824 nan 8.150 nan 0.000 0.477 1177 M N 1.114 120.839 119.600 0.208 0.000 2.907 1177 M HA 0.287 4.752 4.480 -0.024 0.000 0.282 1177 M C 1.055 177.465 176.300 0.183 0.000 1.259 1177 M CA -0.631 54.816 55.300 0.245 0.000 0.753 1177 M CB 1.510 34.212 32.600 0.170 0.000 1.744 1177 M HN 0.463 nan 8.290 nan 0.000 0.434 1178 V N 0.762 120.779 119.914 0.171 0.000 2.568 1178 V HA -0.212 3.893 4.120 -0.024 0.000 0.253 1178 V C 0.844 176.970 176.094 0.052 0.000 1.072 1178 V CA 2.406 64.779 62.300 0.121 0.000 1.084 1178 V CB -0.665 31.223 31.823 0.109 0.000 0.676 1178 V HN 0.796 nan 8.190 nan 0.000 0.469 1179 N N -0.574 118.160 118.700 0.057 0.000 2.203 1179 N HA 0.459 5.185 4.740 -0.024 0.000 0.207 1179 N C 0.212 175.739 175.510 0.029 0.000 1.130 1179 N CA 0.433 53.505 53.050 0.037 0.000 0.861 1179 N CB 1.030 39.545 38.487 0.047 0.000 1.005 1179 N HN 0.616 nan 8.380 nan 0.000 0.507 1180 G N -0.280 108.532 108.800 0.020 0.000 2.359 1180 G HA2 0.125 4.070 3.960 -0.024 0.000 0.293 1180 G HA3 0.125 4.070 3.960 -0.024 0.000 0.293 1180 G C -1.922 172.987 174.900 0.016 0.000 1.300 1180 G CA -0.829 44.274 45.100 0.005 0.000 0.888 1180 G HN -0.087 nan 8.290 nan 0.000 0.541 1181 V N 1.382 121.291 119.914 -0.010 0.000 2.555 1181 V HA 0.717 4.822 4.120 -0.024 0.000 0.302 1181 V C -0.500 175.551 176.094 -0.072 0.000 1.038 1181 V CA -1.019 61.263 62.300 -0.030 0.000 0.887 1181 V CB 1.789 33.581 31.823 -0.053 0.000 0.991 1181 V HN 0.701 nan 8.190 nan 0.000 0.434 1182 N N 1.705 120.332 118.700 -0.122 0.000 2.235 1182 N HA 0.495 5.220 4.740 -0.024 0.000 0.293 1182 N C -1.511 173.740 175.510 -0.432 0.000 1.083 1182 N CA -0.344 52.491 53.050 -0.358 0.000 0.801 1182 N CB 2.257 40.390 38.487 -0.591 0.000 1.559 1182 N HN 0.577 nan 8.380 nan 0.000 0.472 1183 C N 1.845 120.809 119.300 -0.560 0.000 2.351 1183 C HA 0.625 5.071 4.460 -0.024 0.000 0.326 1183 C C -0.528 174.090 174.990 -0.621 0.000 1.272 1183 C CA -0.697 58.088 59.018 -0.388 0.000 1.650 1183 C CB -1.077 26.564 27.740 -0.165 0.000 2.257 1183 C HN 0.540 nan 8.230 nan 0.000 0.505 1184 F N 2.826 122.719 119.950 -0.096 0.000 2.467 1184 F HA 0.563 5.074 4.527 -0.027 0.000 0.336 1184 F C 0.229 176.090 175.800 0.102 0.000 1.123 1184 F CA -0.695 57.299 58.000 -0.010 0.000 0.964 1184 F CB 1.160 40.161 39.000 0.003 0.000 1.136 1184 F HN 0.461 nan 8.300 nan 0.000 0.447 1185 M N 4.410 124.139 119.600 0.215 0.000 2.264 1185 M HA 0.481 4.947 4.480 -0.024 0.000 0.352 1185 M C -1.060 175.308 176.300 0.114 0.000 1.173 1185 M CA -1.182 54.213 55.300 0.159 0.000 1.075 1185 M CB 1.162 33.798 32.600 0.061 0.000 1.621 1185 M HN 0.628 nan 8.290 nan 0.000 0.457 1186 L N 5.032 126.254 121.223 -0.001 0.000 2.477 1186 L HA 0.165 4.491 4.340 -0.024 0.000 0.272 1186 L C -0.516 176.240 176.870 -0.190 0.000 1.157 1186 L CA 0.639 55.261 54.840 -0.363 0.000 0.889 1186 L CB 0.206 41.982 42.059 -0.472 0.000 1.158 1186 L HN 0.610 nan 8.230 nan 0.000 0.473 1187 D N 7.336 127.625 120.400 -0.184 0.000 2.365 1187 D HA 0.210 4.835 4.640 -0.024 0.000 0.237 1187 D C -1.907 174.319 176.300 -0.123 0.000 1.190 1187 D CA -1.860 52.076 54.000 -0.107 0.000 0.867 1187 D CB 1.690 42.449 40.800 -0.068 0.000 1.050 1187 D HN 0.410 nan 8.370 nan 0.000 0.491 1188 P HA 0.006 nan 4.420 nan 0.000 0.226 1188 P C 0.790 178.050 177.300 -0.066 0.000 1.153 1188 P CA 0.539 63.588 63.100 -0.085 0.000 0.777 1188 P CB 0.341 32.008 31.700 -0.055 0.000 0.794 1189 A N 0.056 122.844 122.820 -0.054 0.000 1.970 1189 A HA -0.033 4.273 4.320 -0.024 0.000 0.216 1189 A C 1.889 179.448 177.584 -0.042 0.000 1.170 1189 A CA 1.185 53.198 52.037 -0.040 0.000 0.645 1189 A CB -1.110 17.873 19.000 -0.028 0.000 0.816 1189 A HN 0.339 nan 8.150 nan 0.000 0.447 1190 I N -5.140 115.399 120.570 -0.051 0.000 4.082 1190 I HA 0.500 4.655 4.170 -0.024 0.000 0.337 1190 I C 1.056 177.134 176.117 -0.065 0.000 1.352 1190 I CA 0.315 61.588 61.300 -0.046 0.000 1.097 1190 I CB 0.090 38.070 38.000 -0.032 0.000 1.048 1190 I HN 0.265 nan 8.210 nan 0.000 0.393 1191 G N 1.971 110.710 108.800 -0.102 0.000 2.314 1191 G HA2 -0.201 3.745 3.960 -0.024 0.000 0.292 1191 G HA3 -0.201 3.745 3.960 -0.024 0.000 0.292 1191 G C -0.363 174.447 174.900 -0.150 0.000 1.059 1191 G CA 0.134 45.151 45.100 -0.137 0.000 0.982 1191 G HN 0.551 nan 8.290 nan 0.000 0.505 1192 E N -1.041 119.047 120.200 -0.186 0.000 2.314 1192 E HA 0.496 4.831 4.350 -0.024 0.000 0.272 1192 E C -0.588 175.897 176.600 -0.191 0.000 0.884 1192 E CA -0.879 55.449 56.400 -0.120 0.000 0.753 1192 E CB 1.262 30.949 29.700 -0.022 0.000 1.213 1192 E HN 0.108 nan 8.360 nan 0.000 0.432 1193 F N 2.334 122.286 119.950 0.003 0.000 2.421 1193 F HA 0.243 4.768 4.527 -0.002 0.000 0.358 1193 F C 0.593 176.460 175.800 0.113 0.000 1.115 1193 F CA -0.468 57.556 58.000 0.041 0.000 1.160 1193 F CB 0.532 39.519 39.000 -0.022 0.000 1.123 1193 F HN 0.152 nan 8.300 nan 0.000 0.508 1194 I N 5.017 125.749 120.570 0.271 0.000 2.359 1194 I HA 0.155 4.310 4.170 -0.024 0.000 0.294 1194 I C -0.126 176.137 176.117 0.243 0.000 0.987 1194 I CA -1.074 60.361 61.300 0.225 0.000 1.225 1194 I CB 1.212 39.274 38.000 0.103 0.000 1.366 1194 I HN 0.375 nan 8.210 nan 0.000 0.466 1195 L N 8.402 129.756 121.223 0.217 0.000 2.534 1195 L HA 0.043 4.369 4.340 -0.024 0.000 0.271 1195 L C 0.832 177.600 176.870 -0.169 0.000 1.178 1195 L CA 0.675 55.399 54.840 -0.194 0.000 0.907 1195 L CB 0.523 42.462 42.059 -0.200 0.000 1.164 1195 L HN 0.550 nan 8.230 nan 0.000 0.482 1196 V N -0.286 119.480 119.914 -0.246 0.000 3.539 1196 V HA 0.473 4.578 4.120 -0.024 0.000 0.262 1196 V C -0.096 175.907 176.094 -0.152 0.000 1.381 1196 V CA 0.061 62.281 62.300 -0.134 0.000 1.060 1196 V CB 0.314 32.097 31.823 -0.067 0.000 0.842 1196 V HN 0.720 nan 8.190 nan 0.000 0.445 1197 D N 1.663 121.918 120.400 -0.243 0.000 2.620 1197 D HA 0.430 5.055 4.640 -0.024 0.000 0.252 1197 D C -0.950 175.194 176.300 -0.260 0.000 1.207 1197 D CA -0.158 53.728 54.000 -0.189 0.000 0.884 1197 D CB 2.660 43.380 40.800 -0.133 0.000 1.262 1197 D HN 0.208 nan 8.370 nan 0.000 0.552 1198 R N 1.488 121.887 120.500 -0.169 0.000 2.368 1198 R HA 0.152 4.477 4.340 -0.024 0.000 0.302 1198 R C -0.461 175.799 176.300 -0.066 0.000 1.002 1198 R CA -0.277 55.743 56.100 -0.134 0.000 0.929 1198 R CB 0.693 30.977 30.300 -0.027 0.000 1.073 1198 R HN 0.298 nan 8.270 nan 0.000 0.464 1199 D N 2.091 122.466 120.400 -0.041 0.000 2.737 1199 D HA -0.144 4.482 4.640 -0.024 0.000 0.238 1199 D C -0.900 175.382 176.300 -0.031 0.000 1.157 1199 D CA 0.526 54.521 54.000 -0.008 0.000 0.694 1199 D CB -0.502 40.310 40.800 0.021 0.000 1.021 1199 D HN 0.161 nan 8.370 nan 0.000 0.420 1200 V N 2.066 121.947 119.914 -0.055 0.000 2.655 1200 V HA 0.138 4.243 4.120 -0.024 0.000 0.300 1200 V C 0.955 177.027 176.094 -0.036 0.000 1.044 1200 V CA 0.342 62.612 62.300 -0.050 0.000 1.095 1200 V CB 1.341 33.125 31.823 -0.065 0.000 0.952 1200 V HN 0.094 nan 8.190 nan 0.000 0.485 1201 K N 3.930 124.313 120.400 -0.027 0.000 2.378 1201 K HA 0.520 4.826 4.320 -0.024 0.000 0.252 1201 K C -0.706 175.886 176.600 -0.015 0.000 0.931 1201 K CA -1.005 55.269 56.287 -0.021 0.000 0.794 1201 K CB 2.721 35.213 32.500 -0.014 0.000 1.181 1201 K HN 0.448 nan 8.250 nan 0.000 0.425 1202 I N 2.083 122.647 120.570 -0.011 0.000 2.638 1202 I HA 0.076 4.231 4.170 -0.024 0.000 0.286 1202 I C 0.079 176.202 176.117 0.009 0.000 1.088 1202 I CA -0.337 60.963 61.300 0.000 0.000 1.397 1202 I CB 0.417 38.420 38.000 0.005 0.000 1.414 1202 I HN 0.399 nan 8.210 nan 0.000 0.566 1203 K N 5.942 126.353 120.400 0.018 0.000 2.319 1203 K HA 0.090 4.396 4.320 -0.024 0.000 0.265 1203 K C 1.065 177.681 176.600 0.028 0.000 1.000 1203 K CA -0.334 55.965 56.287 0.019 0.000 0.943 1203 K CB 0.443 32.953 32.500 0.017 0.000 0.950 1203 K HN 0.353 nan 8.250 nan 0.000 0.485 1204 K N 1.589 122.005 120.400 0.026 0.000 2.097 1204 K HA -0.092 4.214 4.320 -0.024 0.000 0.205 1204 K C 0.297 176.930 176.600 0.053 0.000 1.050 1204 K CA 1.323 57.631 56.287 0.035 0.000 0.938 1204 K CB 0.066 32.583 32.500 0.029 0.000 0.718 1204 K HN 0.419 nan 8.250 nan 0.000 0.442 1205 K N -0.209 120.223 120.400 0.053 0.000 2.468 1205 K HA 0.373 4.679 4.320 -0.024 0.000 0.252 1205 K C -0.533 176.094 176.600 0.046 0.000 0.932 1205 K CA -0.450 55.884 56.287 0.078 0.000 0.794 1205 K CB 2.055 34.607 32.500 0.087 0.000 1.241 1205 K HN 0.072 nan 8.250 nan 0.000 0.428 1206 G N -0.112 108.720 108.800 0.054 0.000 2.971 1206 G HA2 0.369 4.314 3.960 -0.024 0.000 0.235 1206 G HA3 0.369 4.314 3.960 -0.024 0.000 0.235 1206 G C -0.275 174.448 174.900 -0.294 0.000 1.351 1206 G CA -0.473 44.602 45.100 -0.041 0.000 1.039 1206 G HN 0.575 nan 8.290 nan 0.000 0.563 1207 S N -1.407 114.042 115.700 -0.419 0.000 3.082 1207 S HA 0.419 4.874 4.470 -0.024 0.000 0.253 1207 S C -0.478 173.812 174.600 -0.516 0.000 0.961 1207 S CA -0.236 57.420 58.200 -0.906 0.000 1.129 1207 S CB -0.090 62.813 63.200 -0.495 0.000 1.083 1207 S HN 0.274 nan 8.310 nan 0.000 0.605 1208 I N 2.700 123.202 120.570 -0.114 0.000 2.498 1208 I HA 0.555 4.711 4.170 -0.024 0.000 0.290 1208 I C -0.808 175.544 176.117 0.391 0.000 1.032 1208 I CA -1.099 60.290 61.300 0.148 0.000 1.073 1208 I CB 1.631 39.697 38.000 0.110 0.000 1.251 1208 I HN 0.392 nan 8.210 nan 0.000 0.426 1209 Y N 2.926 123.408 120.300 0.303 0.000 2.429 1209 Y HA 0.852 5.388 4.550 -0.023 0.000 0.342 1209 Y C -0.364 175.665 175.900 0.216 0.000 1.004 1209 Y CA -1.333 56.932 58.100 0.274 0.000 1.075 1209 Y CB 1.876 40.474 38.460 0.229 0.000 1.214 1209 Y HN 0.469 nan 8.280 nan 0.000 0.455 1210 S N 5.859 121.709 115.700 0.251 0.000 2.774 1210 S HA 0.741 5.197 4.470 -0.024 0.000 0.297 1210 S C -1.380 173.329 174.600 0.182 0.000 1.143 1210 S CA -0.514 57.838 58.200 0.254 0.000 1.090 1210 S CB -0.071 63.405 63.200 0.461 0.000 1.019 1210 S HN 0.831 nan 8.310 nan 0.000 0.482 1211 I N 3.803 124.365 120.570 -0.013 0.000 2.908 1211 I HA 0.407 4.562 4.170 -0.024 0.000 0.300 1211 I C -1.435 174.173 176.117 -0.849 0.000 1.385 1211 I CA -0.702 60.375 61.300 -0.371 0.000 1.004 1211 I CB 1.858 39.763 38.000 -0.158 0.000 1.309 1211 I HN 0.542 nan 8.210 nan 0.000 0.449 1212 N N 4.900 122.976 118.700 -1.039 0.000 2.448 1212 N HA 0.141 4.866 4.740 -0.024 0.000 0.250 1212 N C 0.250 175.700 175.510 -0.099 0.000 1.136 1212 N CA 0.261 52.894 53.050 -0.694 0.000 0.953 1212 N CB 0.555 38.821 38.487 -0.367 0.000 1.251 1212 N HN 0.580 nan 8.380 nan 0.000 0.502 1213 E N 1.450 121.611 120.200 -0.065 0.000 2.511 1213 E HA -0.027 4.309 4.350 -0.024 0.000 0.196 1213 E C 1.424 177.963 176.600 -0.101 0.000 1.066 1213 E CA 0.066 56.514 56.400 0.081 0.000 0.871 1213 E CB 0.165 29.933 29.700 0.115 0.000 0.863 1213 E HN 0.699 nan 8.360 nan 0.000 0.520 1214 G N 0.437 109.111 108.800 -0.211 0.000 2.501 1214 G HA2 -0.238 3.707 3.960 -0.024 0.000 0.220 1214 G HA3 -0.238 3.707 3.960 -0.024 0.000 0.220 1214 G C 0.817 175.416 174.900 -0.503 0.000 1.114 1214 G CA 0.484 45.377 45.100 -0.346 0.000 0.757 1214 G HN 0.282 nan 8.290 nan 0.000 0.559 1215 Y N 0.409 120.453 120.300 -0.426 0.000 2.493 1215 Y HA 0.463 4.999 4.550 -0.025 0.000 0.275 1215 Y C 2.472 177.637 175.900 -1.225 0.000 1.183 1215 Y CA -0.517 57.175 58.100 -0.680 0.000 1.258 1215 Y CB 0.009 38.100 38.460 -0.615 0.000 1.108 1215 Y HN 0.208 nan 8.280 nan 0.000 0.521 1216 A N 0.790 123.109 122.820 -0.835 0.000 1.958 1216 A HA -0.323 3.982 4.320 -0.024 0.000 0.221 1216 A C 2.292 179.667 177.584 -0.348 0.000 1.178 1216 A CA 2.165 53.844 52.037 -0.596 0.000 0.642 1216 A CB -0.478 18.427 19.000 -0.160 0.000 0.816 1216 A HN 0.480 nan 8.150 nan 0.000 0.453 1217 K N -0.785 119.462 120.400 -0.255 0.000 2.283 1217 K HA -0.134 4.172 4.320 -0.024 0.000 0.202 1217 K C 0.950 177.487 176.600 -0.105 0.000 1.048 1217 K CA 1.480 57.688 56.287 -0.131 0.000 0.948 1217 K CB 0.026 32.468 32.500 -0.097 0.000 0.742 1217 K HN 0.439 nan 8.250 nan 0.000 0.458 1218 E N -0.248 119.853 120.200 -0.166 0.000 2.489 1218 E HA 0.051 4.387 4.350 -0.024 0.000 0.204 1218 E C -0.250 176.371 176.600 0.035 0.000 1.006 1218 E CA -0.096 56.268 56.400 -0.060 0.000 0.936 1218 E CB 0.185 29.871 29.700 -0.023 0.000 1.002 1218 E HN 0.083 nan 8.360 nan 0.000 0.488 1219 F N 3.259 123.215 119.950 0.010 0.000 2.553 1219 F HA 0.021 4.534 4.527 -0.024 0.000 0.356 1219 F C 1.217 176.991 175.800 -0.044 0.000 1.142 1219 F CA -1.366 56.621 58.000 -0.022 0.000 1.322 1219 F CB 0.031 39.010 39.000 -0.034 0.000 1.126 1219 F HN -0.081 nan 8.300 nan 0.000 0.599 1220 D N 3.074 123.564 120.400 0.149 0.000 2.360 1220 D HA 0.158 4.784 4.640 -0.024 0.000 0.242 1220 D C -2.150 174.082 176.300 -0.113 0.000 1.184 1220 D CA -1.492 52.509 54.000 0.001 0.000 0.930 1220 D CB 0.116 40.909 40.800 -0.011 0.000 1.161 1220 D HN 0.142 nan 8.370 nan 0.000 0.447 1221 P HA -0.105 nan 4.420 nan 0.000 0.220 1221 P C 0.960 177.925 177.300 -0.559 0.000 1.148 1221 P CA 1.733 64.654 63.100 -0.297 0.000 0.803 1221 P CB -0.068 31.466 31.700 -0.277 0.000 0.782 1222 A N -0.534 121.829 122.820 -0.762 0.000 1.874 1222 A HA -0.090 4.216 4.320 -0.024 0.000 0.214 1222 A C 2.178 179.446 177.584 -0.526 0.000 1.189 1222 A CA 1.052 52.571 52.037 -0.862 0.000 0.615 1222 A CB -1.462 16.732 19.000 -1.344 0.000 0.830 1222 A HN 0.085 nan 8.150 nan 0.000 0.443 1223 I N -0.083 120.196 120.570 -0.484 0.000 2.208 1223 I HA -0.252 3.904 4.170 -0.024 0.000 0.245 1223 I C 2.603 178.586 176.117 -0.225 0.000 1.097 1223 I CA 1.827 62.918 61.300 -0.348 0.000 1.363 1223 I CB -0.558 37.151 38.000 -0.485 0.000 1.051 1223 I HN 0.241 nan 8.210 nan 0.000 0.413 1224 T N -0.281 114.180 114.554 -0.154 0.000 2.684 1224 T HA -0.272 4.064 4.350 -0.024 0.000 0.267 1224 T C 1.852 176.510 174.700 -0.070 0.000 1.036 1224 T CA 1.809 63.883 62.100 -0.044 0.000 1.148 1224 T CB -0.283 68.581 68.868 -0.008 0.000 0.863 1224 T HN 0.451 nan 8.240 nan 0.000 0.436 1225 E N -0.436 119.702 120.200 -0.103 0.000 2.077 1225 E HA -0.178 4.157 4.350 -0.024 0.000 0.193 1225 E C 2.014 178.576 176.600 -0.062 0.000 0.989 1225 E CA 0.934 57.297 56.400 -0.062 0.000 0.800 1225 E CB -0.206 29.482 29.700 -0.021 0.000 0.746 1225 E HN 0.617 nan 8.360 nan 0.000 0.452 1226 Y N 0.628 120.806 120.300 -0.203 0.000 2.181 1226 Y HA -0.199 4.337 4.550 -0.024 0.000 0.288 1226 Y C 1.824 177.558 175.900 -0.277 0.000 1.146 1226 Y CA 1.374 59.342 58.100 -0.221 0.000 1.164 1226 Y CB -0.115 38.205 38.460 -0.233 0.000 0.982 1226 Y HN 0.087 nan 8.280 nan 0.000 0.515 1227 I N 0.515 120.925 120.570 -0.268 0.000 2.226 1227 I HA -0.270 3.885 4.170 -0.024 0.000 0.245 1227 I C 2.441 178.350 176.117 -0.346 0.000 1.100 1227 I CA 1.459 62.503 61.300 -0.425 0.000 1.374 1227 I CB -1.477 36.399 38.000 -0.206 0.000 1.057 1227 I HN 0.265 nan 8.210 nan 0.000 0.413 1228 Q N 0.825 120.525 119.800 -0.167 0.000 2.084 1228 Q HA -0.200 4.125 4.340 -0.024 0.000 0.202 1228 Q C 2.465 178.436 176.000 -0.048 0.000 0.978 1228 Q CA 1.685 57.469 55.803 -0.032 0.000 0.844 1228 Q CB -0.267 28.451 28.738 -0.034 0.000 0.898 1228 Q HN 0.373 nan 8.270 nan 0.000 0.426 1229 R N -0.540 119.837 120.500 -0.205 0.000 2.115 1229 R HA -0.092 4.234 4.340 -0.024 0.000 0.230 1229 R C 1.545 177.617 176.300 -0.379 0.000 1.111 1229 R CA 1.180 57.135 56.100 -0.242 0.000 0.976 1229 R CB 0.114 30.243 30.300 -0.284 0.000 0.870 1229 R HN 0.073 nan 8.270 nan 0.000 0.445 1230 K N 0.580 120.606 120.400 -0.623 0.000 2.155 1230 K HA -0.102 4.203 4.320 -0.024 0.000 0.203 1230 K C 1.748 178.150 176.600 -0.330 0.000 1.052 1230 K CA 1.268 57.153 56.287 -0.671 0.000 0.948 1230 K CB 0.050 31.941 32.500 -1.015 0.000 0.728 1230 K HN 0.279 nan 8.250 nan 0.000 0.448 1231 K N -0.459 119.779 120.400 -0.271 0.000 2.166 1231 K HA 0.069 4.374 4.320 -0.024 0.000 0.201 1231 K C 0.164 176.439 176.600 -0.541 0.000 1.052 1231 K CA 0.575 56.675 56.287 -0.311 0.000 0.969 1231 K CB 0.207 32.562 32.500 -0.241 0.000 0.761 1231 K HN -0.032 nan 8.250 nan 0.000 0.459 1232 F N 1.657 121.544 119.950 -0.105 0.000 2.550 1232 F HA 0.306 4.818 4.527 -0.024 0.000 0.348 1232 F C -2.552 173.196 175.800 -0.087 0.000 1.219 1232 F CA -2.892 55.064 58.000 -0.073 0.000 1.203 1232 F CB 0.796 39.758 39.000 -0.063 0.000 1.436 1232 F HN -0.271 nan 8.300 nan 0.000 0.541 1233 P HA 0.070 nan 4.420 nan 0.000 0.267 1233 P C -1.739 175.576 177.300 0.025 0.000 1.205 1233 P CA -1.060 62.035 63.100 -0.008 0.000 0.765 1233 P CB 0.520 32.216 31.700 -0.007 0.000 0.828 1234 P HA -0.100 nan 4.420 nan 0.000 0.233 1234 P C 0.301 177.610 177.300 0.015 0.000 1.167 1234 P CA 1.173 64.281 63.100 0.014 0.000 0.770 1234 P CB 0.134 31.834 31.700 -0.001 0.000 0.837 1235 D N -1.593 118.816 120.400 0.015 0.000 2.402 1235 D HA 0.013 4.639 4.640 -0.024 0.000 0.216 1235 D C 0.165 176.476 176.300 0.019 0.000 1.128 1235 D CA -0.656 53.353 54.000 0.016 0.000 0.833 1235 D CB -0.921 39.889 40.800 0.017 0.000 0.971 1235 D HN -0.167 nan 8.370 nan 0.000 0.503 1236 N N -0.210 118.503 118.700 0.023 0.000 2.828 1236 N HA -0.190 4.535 4.740 -0.024 0.000 0.248 1236 N C -0.403 175.120 175.510 0.021 0.000 1.044 1236 N CA 1.099 54.163 53.050 0.022 0.000 0.851 1236 N CB -1.954 36.544 38.487 0.019 0.000 1.136 1236 N HN 0.534 nan 8.380 nan 0.000 0.572 1237 S N -1.037 114.679 115.700 0.027 0.000 2.596 1237 S HA 0.607 5.063 4.470 -0.024 0.000 0.260 1237 S C 0.823 175.444 174.600 0.035 0.000 1.336 1237 S CA -0.371 57.850 58.200 0.036 0.000 0.993 1237 S CB 1.252 64.487 63.200 0.058 0.000 0.923 1237 S HN 0.505 nan 8.310 nan 0.000 0.567 1238 A N 1.755 124.598 122.820 0.038 0.000 2.477 1238 A HA 0.505 4.811 4.320 -0.024 0.000 0.246 1238 A C -2.170 175.459 177.584 0.075 0.000 1.078 1238 A CA -1.230 50.827 52.037 0.032 0.000 0.770 1238 A CB -1.069 17.940 19.000 0.015 0.000 1.011 1238 A HN 0.664 nan 8.150 nan 0.000 0.494 1239 P HA 0.096 nan 4.420 nan 0.000 0.268 1239 P C -0.615 176.813 177.300 0.213 0.000 1.208 1239 P CA 0.169 63.314 63.100 0.075 0.000 0.777 1239 P CB 0.144 31.817 31.700 -0.044 0.000 0.875 1240 Y N 0.504 120.814 120.300 0.015 0.000 2.480 1240 Y HA 0.330 4.865 4.550 -0.024 0.000 0.338 1240 Y C 1.685 177.667 175.900 0.137 0.000 1.220 1240 Y CA 0.109 58.270 58.100 0.102 0.000 1.430 1240 Y CB -0.333 38.242 38.460 0.193 0.000 1.311 1240 Y HN 0.378 nan 8.280 nan 0.000 0.575 1241 G N 0.708 109.611 108.800 0.171 0.000 2.507 1241 G HA2 0.525 4.470 3.960 -0.024 0.000 0.271 1241 G HA3 0.525 4.470 3.960 -0.024 0.000 0.271 1241 G C -1.036 173.866 174.900 0.002 0.000 1.189 1241 G CA -0.331 44.822 45.100 0.087 0.000 0.859 1241 G HN 0.816 nan 8.290 nan 0.000 0.542 1242 A N 1.422 124.153 122.820 -0.149 0.000 2.317 1242 A HA 0.866 5.172 4.320 -0.024 0.000 0.327 1242 A C -0.001 177.477 177.584 -0.177 0.000 1.178 1242 A CA -0.725 51.049 52.037 -0.439 0.000 0.817 1242 A CB 1.133 19.840 19.000 -0.489 0.000 1.189 1242 A HN 0.537 nan 8.150 nan 0.000 0.489 1243 R N 0.873 121.296 120.500 -0.127 0.000 2.548 1243 R HA 0.362 4.687 4.340 -0.024 0.000 0.280 1243 R C -2.336 174.055 176.300 0.151 0.000 1.061 1243 R CA -0.396 55.718 56.100 0.025 0.000 0.915 1243 R CB 1.670 32.000 30.300 0.050 0.000 1.210 1243 R HN 0.785 nan 8.270 nan 0.000 0.442 1244 Y N 2.419 122.725 120.300 0.010 0.000 2.441 1244 Y HA 0.132 4.669 4.550 -0.022 0.000 0.345 1244 Y C 0.616 176.556 175.900 0.068 0.000 1.129 1244 Y CA -0.380 57.761 58.100 0.068 0.000 1.333 1244 Y CB 0.816 39.314 38.460 0.063 0.000 1.104 1244 Y HN 0.358 nan 8.280 nan 0.000 0.551 1245 V N 3.066 122.913 119.914 -0.111 0.000 2.407 1245 V HA -0.109 3.996 4.120 -0.024 0.000 0.248 1245 V C 1.843 177.824 176.094 -0.189 0.000 1.055 1245 V CA 2.522 64.753 62.300 -0.115 0.000 1.049 1245 V CB -0.880 30.880 31.823 -0.106 0.000 0.662 1245 V HN 1.184 nan 8.190 nan 0.000 0.455 1246 G N -0.769 107.745 108.800 -0.478 0.000 2.176 1246 G HA2 -0.214 3.732 3.960 -0.024 0.000 0.232 1246 G HA3 -0.214 3.732 3.960 -0.024 0.000 0.232 1246 G C 0.285 175.093 174.900 -0.154 0.000 0.986 1246 G CA 0.174 45.065 45.100 -0.349 0.000 0.643 1246 G HN 0.518 nan 8.290 nan 0.000 0.522 1247 S N 0.411 116.011 115.700 -0.167 0.000 2.530 1247 S HA 0.554 5.010 4.470 -0.024 0.000 0.322 1247 S C 1.115 175.612 174.600 -0.172 0.000 1.085 1247 S CA 0.054 58.194 58.200 -0.100 0.000 1.096 1247 S CB 1.448 64.605 63.200 -0.072 0.000 0.988 1247 S HN 0.379 nan 8.310 nan 0.000 0.466 1248 M N 3.918 123.436 119.600 -0.136 0.000 2.106 1248 M HA -0.099 4.367 4.480 -0.024 0.000 0.259 1248 M C 1.885 177.932 176.300 -0.423 0.000 1.068 1248 M CA 1.931 57.055 55.300 -0.293 0.000 1.100 1248 M CB -0.205 32.309 32.600 -0.143 0.000 1.351 1248 M HN 0.577 nan 8.290 nan 0.000 0.404 1249 V N 0.416 120.137 119.914 -0.320 0.000 2.407 1249 V HA -0.194 3.912 4.120 -0.024 0.000 0.248 1249 V C 2.247 178.106 176.094 -0.392 0.000 1.055 1249 V CA 2.089 64.119 62.300 -0.450 0.000 1.049 1249 V CB -0.697 30.934 31.823 -0.320 0.000 0.662 1249 V HN 0.587 nan 8.190 nan 0.000 0.455 1250 A N -0.683 121.983 122.820 -0.256 0.000 1.897 1250 A HA -0.144 4.161 4.320 -0.024 0.000 0.215 1250 A C 2.010 179.477 177.584 -0.195 0.000 1.181 1250 A CA 1.580 53.513 52.037 -0.174 0.000 0.620 1250 A CB -0.631 18.296 19.000 -0.122 0.000 0.821 1250 A HN 0.611 nan 8.150 nan 0.000 0.443 1251 D N -0.123 120.109 120.400 -0.281 0.000 2.117 1251 D HA -0.095 4.530 4.640 -0.024 0.000 0.198 1251 D C 2.068 178.161 176.300 -0.344 0.000 0.982 1251 D CA 1.442 55.283 54.000 -0.265 0.000 0.828 1251 D CB -0.229 40.423 40.800 -0.247 0.000 0.967 1251 D HN 0.211 nan 8.370 nan 0.000 0.464 1252 V N 0.723 120.310 119.914 -0.546 0.000 2.427 1252 V HA -0.229 3.877 4.120 -0.024 0.000 0.248 1252 V C 2.309 178.253 176.094 -0.251 0.000 1.051 1252 V CA 1.543 63.584 62.300 -0.432 0.000 1.048 1252 V CB -0.536 30.979 31.823 -0.513 0.000 0.666 1252 V HN 0.210 nan 8.190 nan 0.000 0.456 1253 H N 0.543 119.418 119.070 -0.326 0.000 2.353 1253 H HA -0.150 4.393 4.556 -0.021 0.000 0.300 1253 H C 2.472 177.702 175.328 -0.163 0.000 1.090 1253 H CA 2.205 58.164 56.048 -0.149 0.000 1.327 1253 H CB -0.083 29.628 29.762 -0.084 0.000 1.383 1253 H HN 0.219 nan 8.280 nan 0.000 0.508 1254 R N -0.556 119.795 120.500 -0.248 0.000 2.081 1254 R HA -0.120 4.206 4.340 -0.024 0.000 0.235 1254 R C 1.858 177.997 176.300 -0.268 0.000 1.131 1254 R CA 1.847 57.713 56.100 -0.390 0.000 0.960 1254 R CB -0.288 29.841 30.300 -0.285 0.000 0.856 1254 R HN 0.367 nan 8.270 nan 0.000 0.436 1255 T N 1.815 116.286 114.554 -0.138 0.000 2.788 1255 T HA -0.168 4.168 4.350 -0.024 0.000 0.268 1255 T C 1.664 176.335 174.700 -0.049 0.000 1.044 1255 T CA 1.319 63.402 62.100 -0.028 0.000 1.139 1255 T CB -0.207 68.675 68.868 0.024 0.000 0.867 1255 T HN 0.188 nan 8.240 nan 0.000 0.454 1256 L N 2.089 123.237 121.223 -0.125 0.000 2.005 1256 L HA -0.030 4.296 4.340 -0.024 0.000 0.207 1256 L C 2.489 179.281 176.870 -0.129 0.000 1.072 1256 L CA 1.668 56.439 54.840 -0.115 0.000 0.744 1256 L CB -0.631 41.354 42.059 -0.123 0.000 0.895 1256 L HN 0.262 nan 8.230 nan 0.000 0.433 1257 V N -4.134 115.633 119.914 -0.246 0.000 3.235 1257 V HA -0.064 4.041 4.120 -0.024 0.000 0.259 1257 V C 1.813 177.991 176.094 0.140 0.000 1.133 1257 V CA 1.095 63.320 62.300 -0.125 0.000 1.128 1257 V CB -1.009 30.661 31.823 -0.256 0.000 0.757 1257 V HN 0.557 nan 8.190 nan 0.000 0.469 1258 Y N 1.263 121.513 120.300 -0.084 0.000 2.444 1258 Y HA 0.565 5.100 4.550 -0.024 0.000 0.252 1258 Y C 1.547 177.424 175.900 -0.038 0.000 1.091 1258 Y CA -0.145 57.924 58.100 -0.053 0.000 1.276 1258 Y CB 1.006 39.441 38.460 -0.042 0.000 1.170 1258 Y HN 0.529 nan 8.280 nan 0.000 0.517 1259 G N 0.539 109.415 108.800 0.126 0.000 2.712 1259 G HA2 0.222 4.167 3.960 -0.024 0.000 0.683 1259 G HA3 0.222 4.167 3.960 -0.024 0.000 0.683 1259 G C -0.079 174.885 174.900 0.107 0.000 1.320 1259 G CA -0.592 44.559 45.100 0.085 0.000 0.847 1259 G HN 0.957 nan 8.290 nan 0.000 0.553 1260 G N -1.456 107.417 108.800 0.121 0.000 2.384 1260 G HA2 0.495 4.440 3.960 -0.024 0.000 0.204 1260 G HA3 0.495 4.440 3.960 -0.024 0.000 0.204 1260 G C -0.859 174.175 174.900 0.224 0.000 1.237 1260 G CA 0.374 45.587 45.100 0.188 0.000 1.060 1260 G HN 2.365 nan 8.290 nan 0.000 0.514 1261 I N -0.557 120.187 120.570 0.290 0.000 2.686 1261 I HA 0.847 5.003 4.170 -0.024 0.000 0.295 1261 I C -1.344 174.967 176.117 0.322 0.000 1.114 1261 I CA -1.391 60.073 61.300 0.273 0.000 1.038 1261 I CB 1.878 40.036 38.000 0.263 0.000 1.238 1261 I HN 0.908 nan 8.210 nan 0.000 0.420 1262 F N 7.866 127.895 119.950 0.131 0.000 2.482 1262 F HA 0.794 5.307 4.527 -0.022 0.000 0.331 1262 F C -1.361 174.513 175.800 0.123 0.000 1.115 1262 F CA -0.619 57.465 58.000 0.140 0.000 0.955 1262 F CB 1.514 40.577 39.000 0.105 0.000 1.136 1262 F HN 0.331 nan 8.300 nan 0.000 0.452 1263 M N 6.753 125.963 119.600 -0.651 0.000 2.327 1263 M HA 0.296 4.761 4.480 -0.024 0.000 0.298 1263 M C -1.922 174.001 176.300 -0.628 0.000 1.065 1263 M CA -0.656 54.342 55.300 -0.504 0.000 0.916 1263 M CB 2.270 34.704 32.600 -0.276 0.000 1.630 1263 M HN 0.606 nan 8.290 nan 0.000 0.442 1264 Y N 4.796 124.847 120.300 -0.415 0.000 2.592 1264 Y HA 0.431 4.966 4.550 -0.025 0.000 0.354 1264 Y C -2.597 173.228 175.900 -0.124 0.000 1.063 1264 Y CA -2.160 55.816 58.100 -0.207 0.000 1.205 1264 Y CB 0.862 39.283 38.460 -0.066 0.000 1.106 1264 Y HN 0.342 nan 8.280 nan 0.000 0.649 1265 P HA 0.367 nan 4.420 nan 0.000 0.279 1265 P C -0.399 176.963 177.300 0.104 0.000 1.276 1265 P CA -0.372 62.750 63.100 0.036 0.000 0.801 1265 P CB 1.315 32.980 31.700 -0.058 0.000 1.127 1266 A N 1.469 124.329 122.820 0.067 0.000 2.406 1266 A HA 0.386 4.692 4.320 -0.024 0.000 0.243 1266 A C 0.467 178.112 177.584 0.102 0.000 1.082 1266 A CA 0.231 52.309 52.037 0.068 0.000 0.786 1266 A CB -0.866 18.159 19.000 0.043 0.000 1.029 1266 A HN 0.839 nan 8.150 nan 0.000 0.495 1267 N N -1.086 117.667 118.700 0.088 0.000 2.972 1267 N HA 0.287 5.013 4.740 -0.024 0.000 0.262 1267 N C -0.101 175.451 175.510 0.070 0.000 1.478 1267 N CA -0.703 52.415 53.050 0.113 0.000 0.841 1267 N CB 0.603 39.165 38.487 0.124 0.000 1.512 1267 N HN 0.371 nan 8.380 nan 0.000 0.548 1268 K N -0.399 120.039 120.400 0.064 0.000 2.218 1268 K HA -0.076 4.230 4.320 -0.024 0.000 0.205 1268 K C 0.630 177.251 176.600 0.035 0.000 1.046 1268 K CA 1.341 57.654 56.287 0.043 0.000 0.933 1268 K CB -0.114 32.406 32.500 0.034 0.000 0.728 1268 K HN 0.469 nan 8.250 nan 0.000 0.454 1269 K N -0.406 120.015 120.400 0.036 0.000 2.352 1269 K HA 0.111 4.417 4.320 -0.024 0.000 0.194 1269 K C 0.193 176.809 176.600 0.028 0.000 1.038 1269 K CA 0.309 56.616 56.287 0.034 0.000 1.023 1269 K CB 1.039 33.566 32.500 0.045 0.000 0.840 1269 K HN -0.150 nan 8.250 nan 0.000 0.519 1270 S N 2.124 117.839 115.700 0.025 0.000 2.259 1270 S HA 0.239 4.694 4.470 -0.024 0.000 0.181 1270 S C -2.300 172.312 174.600 0.020 0.000 1.589 1270 S CA -0.943 57.267 58.200 0.018 0.000 1.234 1270 S CB 1.647 64.853 63.200 0.010 0.000 1.119 1270 S HN -0.090 nan 8.310 nan 0.000 0.458 1271 P HA -0.085 nan 4.420 nan 0.000 0.218 1271 P C 0.632 177.935 177.300 0.005 0.000 1.146 1271 P CA 1.172 64.281 63.100 0.015 0.000 0.813 1271 P CB 0.178 31.884 31.700 0.010 0.000 0.778 1272 K N -1.322 119.076 120.400 -0.003 0.000 2.478 1272 K HA 0.344 4.649 4.320 -0.024 0.000 0.205 1272 K C 0.823 177.408 176.600 -0.024 0.000 1.033 1272 K CA 0.179 56.456 56.287 -0.017 0.000 1.091 1272 K CB 0.524 33.010 32.500 -0.024 0.000 0.844 1272 K HN 0.106 nan 8.250 nan 0.000 0.507 1273 G N 2.094 110.892 108.800 -0.005 0.000 2.645 1273 G HA2 -0.347 3.598 3.960 -0.024 0.000 0.239 1273 G HA3 -0.347 3.598 3.960 -0.024 0.000 0.239 1273 G C 0.173 175.015 174.900 -0.097 0.000 1.331 1273 G CA 0.294 45.391 45.100 -0.004 0.000 0.890 1273 G HN 0.272 nan 8.290 nan 0.000 0.572 1274 K N -1.116 119.106 120.400 -0.296 0.000 2.344 1274 K HA 0.339 4.645 4.320 -0.024 0.000 0.200 1274 K C 1.341 177.758 176.600 -0.305 0.000 1.132 1274 K CA -0.159 55.911 56.287 -0.363 0.000 0.935 1274 K CB -0.008 32.089 32.500 -0.670 0.000 1.089 1274 K HN 0.490 nan 8.250 nan 0.000 0.496 1275 L N 2.978 123.975 121.223 -0.376 0.000 2.467 1275 L HA 0.132 4.458 4.340 -0.024 0.000 0.270 1275 L C 0.132 176.910 176.870 -0.152 0.000 1.205 1275 L CA -0.365 54.350 54.840 -0.209 0.000 0.828 1275 L CB 0.250 42.227 42.059 -0.136 0.000 1.101 1275 L HN 0.090 nan 8.230 nan 0.000 0.479 1276 R N 1.117 121.519 120.500 -0.164 0.000 2.254 1276 R HA 0.158 4.483 4.340 -0.024 0.000 0.318 1276 R C 0.583 176.676 176.300 -0.346 0.000 1.031 1276 R CA -0.477 55.443 56.100 -0.301 0.000 0.905 1276 R CB 0.985 30.970 30.300 -0.525 0.000 1.050 1276 R HN 0.462 nan 8.270 nan 0.000 0.456 1277 L N 3.919 124.978 121.223 -0.273 0.000 2.056 1277 L HA -0.062 4.264 4.340 -0.024 0.000 0.207 1277 L C 1.259 178.015 176.870 -0.190 0.000 1.078 1277 L CA 1.823 56.556 54.840 -0.179 0.000 0.749 1277 L CB -0.304 41.683 42.059 -0.120 0.000 0.901 1277 L HN 0.697 nan 8.230 nan 0.000 0.433 1278 L N -1.128 119.917 121.223 -0.296 0.000 2.056 1278 L HA -0.174 4.151 4.340 -0.024 0.000 0.207 1278 L C 1.814 178.660 176.870 -0.040 0.000 1.078 1278 L CA 1.601 56.361 54.840 -0.133 0.000 0.749 1278 L CB -0.587 41.417 42.059 -0.093 0.000 0.901 1278 L HN 0.523 nan 8.230 nan 0.000 0.433 1279 Y N -3.263 117.059 120.300 0.036 0.000 2.588 1279 Y HA 0.382 4.918 4.550 -0.024 0.000 0.247 1279 Y C 1.392 177.318 175.900 0.043 0.000 1.157 1279 Y CA -0.615 57.514 58.100 0.048 0.000 1.215 1279 Y CB -0.251 38.225 38.460 0.025 0.000 1.245 1279 Y HN 0.044 nan 8.280 nan 0.000 0.534 1280 E N -0.424 119.772 120.200 -0.008 0.000 3.100 1280 E HA 0.075 4.410 4.350 -0.024 0.000 0.191 1280 E C 1.362 177.959 176.600 -0.006 0.000 1.097 1280 E CA 0.750 57.164 56.400 0.023 0.000 1.339 1280 E CB -0.270 29.440 29.700 0.017 0.000 1.330 1280 E HN 0.307 nan 8.360 nan 0.000 0.511 1281 C N 1.474 120.752 119.300 -0.036 0.000 2.476 1281 C HA -0.007 4.439 4.460 -0.024 0.000 0.278 1281 C C 2.432 177.432 174.990 0.018 0.000 1.274 1281 C CA 0.870 59.887 59.018 -0.001 0.000 1.713 1281 C CB -1.199 26.532 27.740 -0.015 0.000 2.039 1281 C HN 0.446 nan 8.230 nan 0.000 0.484 1282 N N 1.193 119.902 118.700 0.015 0.000 2.084 1282 N HA -0.110 4.615 4.740 -0.024 0.000 0.190 1282 N C -1.061 174.481 175.510 0.054 0.000 1.030 1282 N CA 1.376 54.457 53.050 0.051 0.000 0.849 1282 N CB -0.731 37.802 38.487 0.077 0.000 1.012 1282 N HN 0.421 nan 8.380 nan 0.000 0.423 1283 P HA -0.126 nan 4.420 nan 0.000 0.215 1283 P C 1.091 178.425 177.300 0.056 0.000 1.153 1283 P CA 1.218 64.314 63.100 -0.006 0.000 0.853 1283 P CB 0.106 31.771 31.700 -0.058 0.000 0.788 1284 M N -1.245 118.379 119.600 0.041 0.000 2.254 1284 M HA 0.041 4.507 4.480 -0.024 0.000 0.265 1284 M C 2.098 178.437 176.300 0.065 0.000 1.066 1284 M CA 1.308 56.633 55.300 0.041 0.000 1.123 1284 M CB -1.898 30.686 32.600 -0.027 0.000 1.388 1284 M HN -0.114 nan 8.290 nan 0.000 0.425 1285 A N -0.729 122.136 122.820 0.075 0.000 1.933 1285 A HA -0.216 4.090 4.320 -0.024 0.000 0.218 1285 A C 2.162 179.804 177.584 0.095 0.000 1.175 1285 A CA 1.361 53.444 52.037 0.077 0.000 0.628 1285 A CB -1.040 18.005 19.000 0.075 0.000 0.814 1285 A HN 0.484 nan 8.150 nan 0.000 0.444 1286 Y N 0.498 120.794 120.300 -0.006 0.000 2.163 1286 Y HA -0.155 4.380 4.550 -0.025 0.000 0.288 1286 Y C 2.383 178.276 175.900 -0.011 0.000 1.136 1286 Y CA 1.831 59.922 58.100 -0.014 0.000 1.147 1286 Y CB -0.353 38.082 38.460 -0.041 0.000 0.987 1286 Y HN 0.062 nan 8.280 nan 0.000 0.509 1287 V N 0.268 120.228 119.914 0.077 0.000 2.282 1287 V HA -0.403 3.703 4.120 -0.024 0.000 0.249 1287 V C 2.407 178.472 176.094 -0.049 0.000 1.057 1287 V CA 2.401 64.703 62.300 0.003 0.000 1.032 1287 V CB -0.780 31.107 31.823 0.107 0.000 0.645 1287 V HN 0.492 nan 8.190 nan 0.000 0.447 1288 M N -0.249 119.346 119.600 -0.009 0.000 2.117 1288 M HA -0.157 4.309 4.480 -0.024 0.000 0.262 1288 M C 2.045 178.315 176.300 -0.050 0.000 1.065 1288 M CA 1.801 57.093 55.300 -0.013 0.000 1.114 1288 M CB -0.576 32.034 32.600 0.017 0.000 1.361 1288 M HN 0.341 nan 8.290 nan 0.000 0.408 1289 E N -0.694 119.459 120.200 -0.079 0.000 2.106 1289 E HA -0.181 4.154 4.350 -0.024 0.000 0.192 1289 E C 1.716 178.228 176.600 -0.146 0.000 0.984 1289 E CA 0.813 57.155 56.400 -0.097 0.000 0.806 1289 E CB -0.007 29.639 29.700 -0.089 0.000 0.750 1289 E HN 0.335 nan 8.360 nan 0.000 0.458 1290 K N 0.019 120.273 120.400 -0.245 0.000 2.362 1290 K HA -0.023 4.283 4.320 -0.024 0.000 0.200 1290 K C 1.487 178.016 176.600 -0.119 0.000 1.046 1290 K CA 0.615 56.767 56.287 -0.225 0.000 0.952 1290 K CB 0.125 32.416 32.500 -0.348 0.000 0.753 1290 K HN 0.042 nan 8.250 nan 0.000 0.466 1291 A N -0.088 122.679 122.820 -0.090 0.000 2.275 1291 A HA 0.355 4.660 4.320 -0.024 0.000 0.212 1291 A C 1.221 178.784 177.584 -0.035 0.000 1.201 1291 A CA 0.740 52.746 52.037 -0.052 0.000 0.843 1291 A CB 0.016 18.992 19.000 -0.040 0.000 0.873 1291 A HN 0.307 nan 8.150 nan 0.000 0.492 1292 G N -1.895 106.882 108.800 -0.039 0.000 2.141 1292 G HA2 0.013 3.958 3.960 -0.024 0.000 0.231 1292 G HA3 0.013 3.958 3.960 -0.024 0.000 0.231 1292 G C 0.619 175.513 174.900 -0.010 0.000 0.984 1292 G CA 0.204 45.291 45.100 -0.022 0.000 0.660 1292 G HN 1.305 nan 8.290 nan 0.000 0.525 1293 G N -1.029 107.765 108.800 -0.011 0.000 2.552 1293 G HA2 0.793 4.739 3.960 -0.024 0.000 0.318 1293 G HA3 0.793 4.739 3.960 -0.024 0.000 0.318 1293 G C -0.246 174.656 174.900 0.004 0.000 1.240 1293 G CA -0.983 44.120 45.100 0.005 0.000 1.002 1293 G HN 0.639 nan 8.290 nan 0.000 0.493 1294 L N -0.704 120.529 121.223 0.016 0.000 2.323 1294 L HA 0.764 5.090 4.340 -0.024 0.000 0.265 1294 L C -0.132 176.751 176.870 0.021 0.000 1.012 1294 L CA -1.151 53.697 54.840 0.012 0.000 0.820 1294 L CB 2.490 44.554 42.059 0.010 0.000 1.334 1294 L HN 0.637 nan 8.230 nan 0.000 0.427 1295 A N 0.783 123.613 122.820 0.016 0.000 2.446 1295 A HA 0.664 4.970 4.320 -0.024 0.000 0.282 1295 A C -0.728 176.857 177.584 0.002 0.000 1.102 1295 A CA -0.365 51.686 52.037 0.024 0.000 0.737 1295 A CB 1.678 20.702 19.000 0.039 0.000 1.212 1295 A HN 0.575 nan 8.150 nan 0.000 0.434 1296 T N 0.069 114.611 114.554 -0.019 0.000 2.901 1296 T HA 0.558 4.894 4.350 -0.024 0.000 0.293 1296 T C 1.260 175.908 174.700 -0.086 0.000 1.084 1296 T CA 0.479 62.545 62.100 -0.057 0.000 1.008 1296 T CB 1.484 70.302 68.868 -0.083 0.000 1.170 1296 T HN 1.124 nan 8.240 nan 0.000 0.509 1297 T N -0.478 114.003 114.554 -0.121 0.000 3.113 1297 T HA 0.362 4.698 4.350 -0.024 0.000 0.256 1297 T C 1.606 176.120 174.700 -0.311 0.000 1.131 1297 T CA 1.076 63.084 62.100 -0.153 0.000 1.074 1297 T CB -0.221 68.569 68.868 -0.129 0.000 0.944 1297 T HN 1.539 nan 8.240 nan 0.000 0.516 1298 G N 1.415 109.977 108.800 -0.398 0.000 2.232 1298 G HA2 -0.226 3.719 3.960 -0.024 0.000 0.226 1298 G HA3 -0.226 3.719 3.960 -0.024 0.000 0.226 1298 G C 0.816 175.352 174.900 -0.606 0.000 0.996 1298 G CA 0.269 44.883 45.100 -0.810 0.000 0.626 1298 G HN 0.572 nan 8.290 nan 0.000 0.509 1299 K N 0.242 120.435 120.400 -0.346 0.000 2.511 1299 K HA 0.328 4.634 4.320 -0.024 0.000 0.209 1299 K C 0.514 177.047 176.600 -0.112 0.000 1.301 1299 K CA 0.711 56.882 56.287 -0.194 0.000 0.967 1299 K CB 0.991 33.399 32.500 -0.153 0.000 1.109 1299 K HN 0.651 nan 8.250 nan 0.000 0.561 1300 E N 0.216 120.353 120.200 -0.106 0.000 2.412 1300 E HA 0.563 4.899 4.350 -0.024 0.000 0.279 1300 E C -1.435 175.133 176.600 -0.053 0.000 0.984 1300 E CA -1.195 55.167 56.400 -0.063 0.000 0.788 1300 E CB 1.485 31.156 29.700 -0.048 0.000 1.277 1300 E HN -0.023 nan 8.360 nan 0.000 0.455 1301 A N 1.866 124.668 122.820 -0.030 0.000 2.520 1301 A HA 0.220 4.526 4.320 -0.024 0.000 0.245 1301 A C 1.105 178.685 177.584 -0.007 0.000 1.072 1301 A CA -0.317 51.711 52.037 -0.015 0.000 0.761 1301 A CB 0.440 19.440 19.000 -0.000 0.000 1.004 1301 A HN 0.519 nan 8.150 nan 0.000 0.499 1302 V N 3.515 123.428 119.914 -0.002 0.000 2.392 1302 V HA -0.250 3.855 4.120 -0.024 0.000 0.249 1302 V C 2.269 178.379 176.094 0.026 0.000 1.059 1302 V CA 2.141 64.445 62.300 0.006 0.000 1.051 1302 V CB -0.803 31.028 31.823 0.015 0.000 0.658 1302 V HN 0.845 nan 8.190 nan 0.000 0.455 1303 L N -0.279 120.971 121.223 0.046 0.000 2.456 1303 L HA -0.091 4.234 4.340 -0.024 0.000 0.224 1303 L C 1.676 178.583 176.870 0.061 0.000 1.148 1303 L CA 0.928 55.812 54.840 0.074 0.000 0.825 1303 L CB -0.442 41.678 42.059 0.102 0.000 0.937 1303 L HN 0.362 nan 8.230 nan 0.000 0.450 1304 D N -0.311 120.110 120.400 0.035 0.000 2.339 1304 D HA 0.094 4.720 4.640 -0.024 0.000 0.217 1304 D C 0.622 176.928 176.300 0.011 0.000 1.050 1304 D CA 0.160 54.174 54.000 0.025 0.000 0.856 1304 D CB 0.445 41.254 40.800 0.015 0.000 0.922 1304 D HN 0.066 nan 8.370 nan 0.000 0.518 1305 I N 1.592 122.165 120.570 0.005 0.000 2.556 1305 I HA -0.028 4.128 4.170 -0.024 0.000 0.284 1305 I C 0.563 176.673 176.117 -0.011 0.000 1.114 1305 I CA -0.773 60.522 61.300 -0.008 0.000 1.418 1305 I CB 0.354 38.344 38.000 -0.017 0.000 1.394 1305 I HN -0.315 nan 8.210 nan 0.000 0.552 1306 V N 8.994 128.897 119.914 -0.019 0.000 2.368 1306 V HA 0.251 4.356 4.120 -0.024 0.000 0.266 1306 V C -1.802 174.269 176.094 -0.039 0.000 1.045 1306 V CA -1.396 60.887 62.300 -0.030 0.000 0.899 1306 V CB 0.668 32.475 31.823 -0.027 0.000 1.006 1306 V HN 0.667 nan 8.190 nan 0.000 0.470 1307 P HA 0.188 nan 4.420 nan 0.000 0.271 1307 P C 0.546 177.814 177.300 -0.054 0.000 1.218 1307 P CA -0.037 63.029 63.100 -0.056 0.000 0.780 1307 P CB 0.964 32.619 31.700 -0.075 0.000 0.901 1308 T N -3.221 111.306 114.554 -0.045 0.000 3.040 1308 T HA 0.192 4.528 4.350 -0.024 0.000 0.266 1308 T C -0.093 174.586 174.700 -0.036 0.000 1.005 1308 T CA -0.097 61.981 62.100 -0.038 0.000 0.906 1308 T CB -0.079 68.773 68.868 -0.026 0.000 1.082 1308 T HN 0.381 nan 8.240 nan 0.000 0.531 1309 D N 1.283 121.657 120.400 -0.043 0.000 2.970 1309 D HA 0.250 4.875 4.640 -0.024 0.000 0.230 1309 D C 1.248 177.504 176.300 -0.073 0.000 1.276 1309 D CA -1.002 52.977 54.000 -0.036 0.000 0.910 1309 D CB 1.442 42.239 40.800 -0.005 0.000 1.590 1309 D HN 0.033 nan 8.370 nan 0.000 0.551 1310 I N 1.504 122.001 120.570 -0.121 0.000 2.700 1310 I HA -0.061 4.095 4.170 -0.024 0.000 0.261 1310 I C 0.203 176.148 176.117 -0.286 0.000 1.219 1310 I CA 1.346 62.515 61.300 -0.219 0.000 1.463 1310 I CB -0.827 36.992 38.000 -0.303 0.000 1.092 1310 I HN 0.396 nan 8.210 nan 0.000 0.452 1311 H N 1.629 120.715 119.070 0.026 0.000 2.486 1311 H HA 0.341 4.882 4.556 -0.024 0.000 0.284 1311 H C 0.373 175.674 175.328 -0.047 0.000 1.103 1311 H CA -0.354 55.713 56.048 0.032 0.000 1.089 1311 H CB 0.154 29.964 29.762 0.080 0.000 1.603 1311 H HN 0.537 nan 8.280 nan 0.000 0.557 1312 Q N 1.673 121.470 119.800 -0.006 0.000 2.349 1312 Q HA 0.057 4.383 4.340 -0.024 0.000 0.287 1312 Q C -0.121 175.834 176.000 -0.074 0.000 1.044 1312 Q CA 0.074 55.856 55.803 -0.034 0.000 0.918 1312 Q CB 0.815 29.521 28.738 -0.053 0.000 1.242 1312 Q HN 0.354 nan 8.270 nan 0.000 0.405 1313 R N 1.200 121.666 120.500 -0.058 0.000 2.549 1313 R HA 0.753 5.078 4.340 -0.024 0.000 0.267 1313 R C -1.057 175.198 176.300 -0.074 0.000 1.045 1313 R CA -0.349 55.703 56.100 -0.080 0.000 1.115 1313 R CB 1.482 31.742 30.300 -0.066 0.000 1.121 1313 R HN 0.661 nan 8.270 nan 0.000 0.543 1314 A N 1.953 124.726 122.820 -0.078 0.000 2.547 1314 A HA 0.535 4.840 4.320 -0.024 0.000 0.297 1314 A C -2.709 174.848 177.584 -0.045 0.000 1.056 1314 A CA -1.782 50.221 52.037 -0.057 0.000 0.688 1314 A CB 1.654 20.623 19.000 -0.052 0.000 1.282 1314 A HN 0.377 nan 8.150 nan 0.000 0.400 1315 P HA 0.467 nan 4.420 nan 0.000 0.269 1315 P C -0.814 176.482 177.300 -0.006 0.000 1.209 1315 P CA 0.163 63.257 63.100 -0.011 0.000 0.776 1315 P CB 0.564 32.241 31.700 -0.038 0.000 0.876 1316 I N 2.862 123.451 120.570 0.031 0.000 2.692 1316 I HA 0.443 4.599 4.170 -0.024 0.000 0.293 1316 I C -1.797 174.343 176.117 0.038 0.000 1.200 1316 I CA -0.835 60.492 61.300 0.046 0.000 1.036 1316 I CB 1.617 39.683 38.000 0.110 0.000 1.258 1316 I HN 0.062 nan 8.210 nan 0.000 0.421 1317 I N 8.495 129.074 120.570 0.017 0.000 2.468 1317 I HA 0.618 4.774 4.170 -0.024 0.000 0.285 1317 I C -1.103 175.042 176.117 0.047 0.000 1.039 1317 I CA -0.296 61.004 61.300 -0.001 0.000 1.074 1317 I CB 1.580 39.537 38.000 -0.071 0.000 1.228 1317 I HN 0.499 nan 8.210 nan 0.000 0.436 1318 L N 3.960 125.255 121.223 0.120 0.000 2.403 1318 L HA 1.181 5.506 4.340 -0.024 0.000 0.253 1318 L C 0.066 177.015 176.870 0.132 0.000 1.045 1318 L CA -0.351 54.559 54.840 0.117 0.000 0.845 1318 L CB 1.684 43.826 42.059 0.138 0.000 1.447 1318 L HN 0.781 nan 8.230 nan 0.000 0.411 1319 G N -0.706 108.150 108.800 0.094 0.000 2.250 1319 G HA2 0.127 4.072 3.960 -0.024 0.000 0.252 1319 G HA3 0.127 4.072 3.960 -0.024 0.000 0.252 1319 G C -1.087 173.858 174.900 0.075 0.000 1.325 1319 G CA -0.420 44.738 45.100 0.097 0.000 1.091 1319 G HN 0.842 nan 8.290 nan 0.000 0.476 1320 S N 3.094 118.848 115.700 0.089 0.000 2.546 1320 S HA 0.316 4.772 4.470 -0.024 0.000 0.290 1320 S C -0.691 173.952 174.600 0.072 0.000 1.290 1320 S CA 0.207 58.454 58.200 0.079 0.000 1.069 1320 S CB 1.518 64.777 63.200 0.098 0.000 0.846 1320 S HN 0.533 nan 8.310 nan 0.000 0.495 1321 P HA -0.136 nan 4.420 nan 0.000 0.217 1321 P C 0.888 178.219 177.300 0.051 0.000 1.150 1321 P CA 1.160 64.285 63.100 0.041 0.000 0.832 1321 P CB 0.215 31.932 31.700 0.029 0.000 0.787 1322 E N -0.286 119.953 120.200 0.065 0.000 2.150 1322 E HA -0.141 4.195 4.350 -0.024 0.000 0.193 1322 E C 1.734 178.397 176.600 0.105 0.000 0.985 1322 E CA 0.823 57.269 56.400 0.077 0.000 0.814 1322 E CB -0.303 29.446 29.700 0.082 0.000 0.752 1322 E HN 0.295 nan 8.360 nan 0.000 0.466 1323 D N 0.415 120.897 120.400 0.136 0.000 2.097 1323 D HA -0.112 4.513 4.640 -0.024 0.000 0.197 1323 D C 2.124 178.468 176.300 0.073 0.000 0.984 1323 D CA 0.857 54.965 54.000 0.181 0.000 0.826 1323 D CB -0.123 40.834 40.800 0.261 0.000 0.973 1323 D HN 0.022 nan 8.370 nan 0.000 0.460 1324 V N 1.204 121.140 119.914 0.037 0.000 2.427 1324 V HA -0.188 3.917 4.120 -0.024 0.000 0.248 1324 V C 2.480 178.556 176.094 -0.030 0.000 1.051 1324 V CA 1.683 63.966 62.300 -0.027 0.000 1.048 1324 V CB -0.669 31.154 31.823 -0.001 0.000 0.666 1324 V HN 0.206 nan 8.190 nan 0.000 0.456 1325 T N -0.563 113.997 114.554 0.009 0.000 2.821 1325 T HA -0.211 4.124 4.350 -0.024 0.000 0.267 1325 T C 1.864 176.578 174.700 0.022 0.000 1.046 1325 T CA 1.650 63.760 62.100 0.016 0.000 1.139 1325 T CB -0.158 68.727 68.868 0.028 0.000 0.871 1325 T HN 0.658 nan 8.240 nan 0.000 0.454 1326 E N 0.468 120.692 120.200 0.041 0.000 2.077 1326 E HA -0.154 4.181 4.350 -0.024 0.000 0.193 1326 E C 2.138 178.757 176.600 0.032 0.000 0.989 1326 E CA 0.880 57.323 56.400 0.071 0.000 0.800 1326 E CB -0.158 29.632 29.700 0.150 0.000 0.746 1326 E HN 0.260 nan 8.360 nan 0.000 0.452 1327 L N 0.935 122.086 121.223 -0.121 0.000 2.056 1327 L HA -0.100 4.226 4.340 -0.024 0.000 0.207 1327 L C 2.142 179.022 176.870 0.016 0.000 1.078 1327 L CA 1.436 56.136 54.840 -0.233 0.000 0.749 1327 L CB -0.518 41.209 42.059 -0.552 0.000 0.901 1327 L HN 0.242 nan 8.230 nan 0.000 0.433 1328 L N -0.655 120.584 121.223 0.027 0.000 2.083 1328 L HA -0.234 4.092 4.340 -0.024 0.000 0.209 1328 L C 2.477 179.409 176.870 0.105 0.000 1.083 1328 L CA 1.418 56.309 54.840 0.085 0.000 0.752 1328 L CB -0.489 41.582 42.059 0.021 0.000 0.899 1328 L HN 0.356 nan 8.230 nan 0.000 0.433 1329 E N -0.113 120.128 120.200 0.068 0.000 2.110 1329 E HA -0.236 4.100 4.350 -0.024 0.000 0.193 1329 E C 2.090 178.740 176.600 0.083 0.000 0.988 1329 E CA 1.076 57.514 56.400 0.064 0.000 0.804 1329 E CB -0.014 29.715 29.700 0.049 0.000 0.745 1329 E HN 0.333 nan 8.360 nan 0.000 0.458 1330 I N 0.103 120.723 120.570 0.083 0.000 2.252 1330 I HA -0.226 3.930 4.170 -0.024 0.000 0.245 1330 I C 1.915 178.113 176.117 0.134 0.000 1.102 1330 I CA 1.273 62.632 61.300 0.099 0.000 1.385 1330 I CB -1.005 37.011 38.000 0.028 0.000 1.064 1330 I HN 0.112 nan 8.210 nan 0.000 0.414 1331 Y N 1.144 121.472 120.300 0.047 0.000 2.181 1331 Y HA -0.244 4.292 4.550 -0.024 0.000 0.288 1331 Y C 2.731 178.673 175.900 0.071 0.000 1.146 1331 Y CA 1.656 59.778 58.100 0.036 0.000 1.164 1331 Y CB -0.475 37.971 38.460 -0.024 0.000 0.982 1331 Y HN 0.274 nan 8.280 nan 0.000 0.515 1332 Q N -0.005 119.916 119.800 0.202 0.000 2.050 1332 Q HA -0.266 4.060 4.340 -0.024 0.000 0.202 1332 Q C 2.275 178.323 176.000 0.080 0.000 0.980 1332 Q CA 1.832 57.704 55.803 0.116 0.000 0.840 1332 Q CB -0.276 28.507 28.738 0.075 0.000 0.898 1332 Q HN 0.396 nan 8.270 nan 0.000 0.424 1333 K N 0.165 120.602 120.400 0.062 0.000 2.152 1333 K HA -0.195 4.110 4.320 -0.024 0.000 0.206 1333 K C 1.545 178.092 176.600 -0.088 0.000 1.048 1333 K CA 1.342 57.614 56.287 -0.024 0.000 0.933 1333 K CB -0.009 32.457 32.500 -0.057 0.000 0.721 1333 K HN 0.365 nan 8.250 nan 0.000 0.447 1334 H N -0.311 118.755 119.070 -0.006 0.000 2.548 1334 H HA 0.169 4.710 4.556 -0.024 0.000 0.265 1334 H C 0.820 176.157 175.328 0.016 0.000 0.969 1334 H CA 0.223 56.263 56.048 -0.013 0.000 1.155 1334 H CB 0.270 29.999 29.762 -0.056 0.000 1.394 1334 H HN 0.290 nan 8.280 nan 0.000 0.570 1335 A N 0.000 122.896 122.820 0.127 0.000 2.254 1335 A HA 0.000 4.306 4.320 -0.024 0.000 0.244 1335 A CA 0.000 52.096 52.037 0.099 0.000 0.836 1335 A CB 0.000 19.049 19.000 0.082 0.000 0.831 1335 A HN 0.000 nan 8.150 nan 0.000 0.486