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 2cfv_1_A DATA FIRST_RESID -19 DATA SEQUENCE HHHHSSGVDL GTENLYFQSM XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXKL IRVENFEAYF DATA SEQUENCE KKQQADSNCG FAEEYEDLKL VGISQPKYAA ELAENRGKNR YNNVLPYDIS DATA SEQUENCE RVKLSVQTHS TDDYINANYM PGYHSKKDFI ATQGPLPNTL KDFWRMVWEK DATA SEQUENCE NVYAIIMLTX XXXXXXXXXX EYWPSXXAQD YGDITVAMTS EIVLXXWTIR DATA SEQUENCE DFTVKNIQXX ESHPLRQFHF TXXXXXXXXX TTDLLINFRY LVRDYXXXXX DATA SEQUENCE XXXPILVHCS AGVGRTGTFI AIDRLIYQIE NENTVDVYGI VYDLRMHRPL DATA SEQUENCE MVQTEDQYVF LNQCVLDIVR 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 -19 H HA 0.000 nan 4.556 nan 0.000 0.296 -19 H C 0.000 175.396 175.328 0.113 0.000 0.993 -19 H CA 0.000 56.076 56.048 0.046 0.000 1.023 -19 H CB 0.000 29.785 29.762 0.039 0.000 1.292 -18 H N 3.250 122.326 119.070 0.011 0.000 3.046 -18 H HA 0.333 4.890 4.556 0.001 0.000 0.363 -18 H C -1.288 174.048 175.328 0.013 0.000 1.203 -18 H CA -0.899 55.166 56.048 0.028 0.000 1.169 -18 H CB 1.388 31.096 29.762 -0.089 0.000 1.851 -18 H HN 0.606 nan 8.280 nan 0.000 0.546 -17 H N 1.245 120.274 119.070 -0.067 0.000 2.502 -17 H HA 0.276 4.832 4.556 0.001 0.000 0.338 -17 H C -0.224 175.071 175.328 -0.055 0.000 1.155 -17 H CA -0.852 55.144 56.048 -0.086 0.000 1.237 -17 H CB 1.675 31.408 29.762 -0.049 0.000 1.534 -17 H HN 0.468 nan 8.280 nan 0.000 0.523 -16 H N 0.670 119.962 119.070 0.370 0.000 2.472 -16 H HA 0.172 4.728 4.556 0.001 0.000 0.338 -16 H C -0.074 175.402 175.328 0.248 0.000 1.133 -16 H CA -0.558 55.669 56.048 0.298 0.000 1.216 -16 H CB 1.651 31.566 29.762 0.256 0.000 1.497 -16 H HN 0.602 nan 8.280 nan 0.000 0.500 -15 S N 1.168 117.059 115.700 0.319 0.000 2.589 -15 S HA 0.080 4.551 4.470 0.001 0.000 0.265 -15 S C 0.293 175.003 174.600 0.184 0.000 1.342 -15 S CA -0.782 57.540 58.200 0.203 0.000 1.005 -15 S CB 0.383 63.667 63.200 0.140 0.000 0.909 -15 S HN 0.661 nan 8.310 nan 0.000 0.555 -14 S N 0.386 116.168 115.700 0.136 0.000 2.549 -14 S HA 0.529 4.999 4.470 0.001 0.000 0.283 -14 S C 1.259 175.899 174.600 0.067 0.000 1.320 -14 S CA -0.210 58.053 58.200 0.105 0.000 1.058 -14 S CB 0.470 63.721 63.200 0.085 0.000 0.882 -14 S HN 1.535 nan 8.310 nan 0.000 0.498 -13 G N 1.002 109.827 108.800 0.042 0.000 2.238 -13 G HA2 -0.277 3.683 3.960 0.001 0.000 0.217 -13 G HA3 -0.277 3.683 3.960 0.001 0.000 0.217 -13 G C 0.571 175.467 174.900 -0.006 0.000 0.996 -13 G CA 0.017 45.127 45.100 0.017 0.000 0.632 -13 G HN 0.732 nan 8.290 nan 0.000 0.503 -12 V N 0.584 120.490 119.914 -0.012 0.000 2.255 -12 V HA 0.159 4.279 4.120 0.001 0.000 0.243 -12 V C 0.986 177.013 176.094 -0.113 0.000 1.038 -12 V CA 2.270 64.531 62.300 -0.066 0.000 1.008 -12 V CB -0.019 31.742 31.823 -0.104 0.000 0.645 -12 V HN 0.479 nan 8.190 nan 0.000 0.449 -11 D N -0.949 119.367 120.400 -0.140 0.000 2.358 -11 D HA 0.259 4.900 4.640 0.001 0.000 0.253 -11 D C 0.803 177.029 176.300 -0.122 0.000 1.288 -11 D CA -0.211 53.700 54.000 -0.148 0.000 0.950 -11 D CB 1.055 41.725 40.800 -0.216 0.000 1.197 -11 D HN 0.064 nan 8.370 nan 0.000 0.550 -10 L N 2.185 123.357 121.223 -0.086 0.000 2.089 -10 L HA -0.125 4.215 4.340 0.001 0.000 0.213 -10 L C 2.444 179.261 176.870 -0.089 0.000 1.079 -10 L CA 1.751 56.550 54.840 -0.069 0.000 0.758 -10 L CB -0.376 41.655 42.059 -0.048 0.000 0.891 -10 L HN 0.449 nan 8.230 nan 0.000 0.433 -9 G N -0.503 108.233 108.800 -0.106 0.000 2.446 -9 G HA2 -0.271 3.690 3.960 0.001 0.000 0.217 -9 G HA3 -0.271 3.690 3.960 0.001 0.000 0.217 -9 G C 1.550 176.363 174.900 -0.145 0.000 1.168 -9 G CA 1.384 46.416 45.100 -0.115 0.000 0.771 -9 G HN 0.316 nan 8.290 nan 0.000 0.551 -8 T N 0.921 115.349 114.554 -0.210 0.000 2.759 -8 T HA -0.093 4.257 4.350 0.001 0.000 0.269 -8 T C 2.170 176.528 174.700 -0.570 0.000 1.042 -8 T CA 1.620 63.495 62.100 -0.374 0.000 1.140 -8 T CB -0.186 68.470 68.868 -0.353 0.000 0.864 -8 T HN 0.512 nan 8.240 nan 0.000 0.455 -7 E N 1.005 121.012 120.200 -0.322 0.000 2.047 -7 E HA -0.135 4.216 4.350 0.001 0.000 0.191 -7 E C 2.836 179.383 176.600 -0.089 0.000 0.987 -7 E CA 1.144 57.431 56.400 -0.189 0.000 0.799 -7 E CB -0.524 29.154 29.700 -0.036 0.000 0.752 -7 E HN 0.717 nan 8.360 nan 0.000 0.449 -6 N N 1.713 120.386 118.700 -0.046 0.000 2.094 -6 N HA -0.208 4.533 4.740 0.001 0.000 0.191 -6 N C 1.963 177.506 175.510 0.055 0.000 1.023 -6 N CA 1.632 54.709 53.050 0.044 0.000 0.857 -6 N CB -0.841 37.703 38.487 0.095 0.000 1.013 -6 N HN 0.075 nan 8.380 nan 0.000 0.426 -5 L N -0.933 120.291 121.223 0.002 0.000 2.046 -5 L HA -0.042 4.298 4.340 0.001 0.000 0.208 -5 L C 2.196 179.066 176.870 -0.000 0.000 1.077 -5 L CA 1.820 56.649 54.840 -0.017 0.000 0.747 -5 L CB -0.538 41.488 42.059 -0.055 0.000 0.896 -5 L HN 0.501 nan 8.230 nan 0.000 0.432 -4 Y N -1.682 118.604 120.300 -0.024 0.000 2.200 -4 Y HA -0.226 4.325 4.550 0.001 0.000 0.290 -4 Y C 2.610 178.480 175.900 -0.050 0.000 1.137 -4 Y CA 1.266 59.338 58.100 -0.046 0.000 1.163 -4 Y CB -1.508 36.932 38.460 -0.034 0.000 0.988 -4 Y HN 0.274 nan 8.280 nan 0.000 0.518 -3 F N -0.105 119.919 119.950 0.123 0.000 2.092 -3 F HA 0.203 4.730 4.527 0.001 0.000 0.286 -3 F C 1.694 177.497 175.800 0.004 0.000 1.116 -3 F CA 1.449 59.485 58.000 0.060 0.000 1.185 -3 F CB -0.708 38.327 39.000 0.058 0.000 1.034 -3 F HN 0.203 nan 8.300 nan 0.000 0.479 -2 Q N -0.563 119.230 119.800 -0.011 0.000 2.928 -2 Q HA 0.445 4.786 4.340 0.001 0.000 0.353 -2 Q C 0.198 176.158 176.000 -0.068 0.000 0.870 -2 Q CA 0.278 56.056 55.803 -0.041 0.000 0.963 -2 Q CB -0.420 28.305 28.738 -0.021 0.000 1.419 -2 Q HN 0.697 nan 8.270 nan 0.000 0.396 -1 S N -1.094 114.463 115.700 -0.238 0.000 2.582 -1 S HA 0.599 5.069 4.470 0.001 0.000 0.234 -1 S C 0.377 174.781 174.600 -0.327 0.000 0.961 -1 S CA 0.338 58.092 58.200 -0.742 0.000 0.953 -1 S CB -0.524 62.155 63.200 -0.867 0.000 0.800 -1 S HN 1.019 nan 8.310 nan 0.000 0.471 1020 L N 4.486 125.703 121.223 -0.011 0.000 2.360 1020 L HA 0.402 4.743 4.340 0.001 0.000 0.276 1020 L C -0.021 176.823 176.870 -0.043 0.000 1.121 1020 L CA -0.264 54.568 54.840 -0.012 0.000 0.845 1020 L CB 0.579 42.634 42.059 -0.007 0.000 1.143 1020 L HN 0.389 nan 8.230 nan 0.000 0.452 1021 I N 4.167 124.712 120.570 -0.042 0.000 2.418 1021 I HA 0.342 4.512 4.170 0.001 0.000 0.287 1021 I C 0.167 176.295 176.117 0.018 0.000 1.008 1021 I CA -0.710 60.564 61.300 -0.043 0.000 1.104 1021 I CB 1.542 39.475 38.000 -0.111 0.000 1.264 1021 I HN 0.574 nan 8.210 nan 0.000 0.438 1022 R N 3.352 123.865 120.500 0.023 0.000 2.640 1022 R HA 0.023 4.364 4.340 0.001 0.000 0.270 1022 R C 1.408 177.747 176.300 0.066 0.000 1.024 1022 R CA 0.075 56.195 56.100 0.033 0.000 1.085 1022 R CB 1.242 31.560 30.300 0.029 0.000 0.963 1022 R HN 0.663 nan 8.270 nan 0.000 0.426 1023 V N 0.970 120.909 119.914 0.042 0.000 2.594 1023 V HA -0.213 3.908 4.120 0.001 0.000 0.253 1023 V C 1.273 177.422 176.094 0.093 0.000 1.069 1023 V CA 1.869 64.197 62.300 0.046 0.000 1.082 1023 V CB -0.515 31.299 31.823 -0.016 0.000 0.680 1023 V HN 0.777 nan 8.190 nan 0.000 0.469 1024 E N 0.855 121.098 120.200 0.072 0.000 2.502 1024 E HA 0.090 4.441 4.350 0.001 0.000 0.194 1024 E C 1.125 177.780 176.600 0.091 0.000 1.062 1024 E CA 0.587 57.030 56.400 0.071 0.000 0.867 1024 E CB -0.392 29.334 29.700 0.043 0.000 0.888 1024 E HN 0.609 nan 8.360 nan 0.000 0.510 1025 N N -0.587 118.186 118.700 0.121 0.000 2.159 1025 N HA 0.110 4.851 4.740 0.001 0.000 0.217 1025 N C 0.095 175.723 175.510 0.197 0.000 1.223 1025 N CA -0.156 52.970 53.050 0.126 0.000 0.896 1025 N CB 0.019 38.558 38.487 0.087 0.000 1.064 1025 N HN 0.130 nan 8.380 nan 0.000 0.518 1026 F N 2.723 122.735 119.950 0.102 0.000 2.259 1026 F HA -0.083 4.444 4.527 0.001 0.000 0.298 1026 F C 2.379 178.341 175.800 0.270 0.000 1.088 1026 F CA 1.614 59.733 58.000 0.198 0.000 1.358 1026 F CB -0.028 39.050 39.000 0.129 0.000 1.040 1026 F HN 0.121 nan 8.300 nan 0.000 0.505 1027 E N 0.711 121.069 120.200 0.263 0.000 2.023 1027 E HA -0.207 4.144 4.350 0.001 0.000 0.196 1027 E C 2.308 178.980 176.600 0.121 0.000 1.003 1027 E CA 1.700 58.199 56.400 0.164 0.000 0.809 1027 E CB -1.553 28.216 29.700 0.116 0.000 0.755 1027 E HN 0.510 nan 8.360 nan 0.000 0.449 1028 A N -0.469 122.412 122.820 0.103 0.000 1.908 1028 A HA -0.045 4.276 4.320 0.001 0.000 0.218 1028 A C 2.330 179.938 177.584 0.040 0.000 1.181 1028 A CA 2.019 54.096 52.037 0.066 0.000 0.627 1028 A CB -0.775 18.263 19.000 0.062 0.000 0.818 1028 A HN 0.801 nan 8.150 nan 0.000 0.445 1029 Y N -1.041 119.203 120.300 -0.092 0.000 2.200 1029 Y HA -0.159 4.392 4.550 0.001 0.000 0.290 1029 Y C 1.952 177.697 175.900 -0.259 0.000 1.137 1029 Y CA 1.764 59.755 58.100 -0.182 0.000 1.163 1029 Y CB -0.534 37.807 38.460 -0.199 0.000 0.988 1029 Y HN 0.299 nan 8.280 nan 0.000 0.518 1030 F N 1.649 121.292 119.950 -0.512 0.000 2.134 1030 F HA -0.114 4.413 4.527 0.001 0.000 0.299 1030 F C 2.438 178.053 175.800 -0.308 0.000 1.097 1030 F CA 2.810 60.523 58.000 -0.479 0.000 1.264 1030 F CB -0.852 38.004 39.000 -0.241 0.000 1.001 1030 F HN 0.044 nan 8.300 nan 0.000 0.479 1031 K N 0.869 121.281 120.400 0.020 0.000 2.074 1031 K HA -0.260 4.060 4.320 0.001 0.000 0.209 1031 K C 2.164 178.619 176.600 -0.240 0.000 1.048 1031 K CA 2.030 58.290 56.287 -0.044 0.000 0.926 1031 K CB -1.237 31.274 32.500 0.019 0.000 0.713 1031 K HN 0.482 nan 8.250 nan 0.000 0.444 1032 K N -0.440 119.769 120.400 -0.318 0.000 2.097 1032 K HA -0.154 4.167 4.320 0.001 0.000 0.206 1032 K C 2.239 178.539 176.600 -0.500 0.000 1.049 1032 K CA 1.456 57.537 56.287 -0.343 0.000 0.933 1032 K CB 0.094 32.413 32.500 -0.300 0.000 0.717 1032 K HN 0.453 nan 8.250 nan 0.000 0.442 1033 Q N -0.577 118.717 119.800 -0.845 0.000 2.302 1033 Q HA -0.031 4.310 4.340 0.001 0.000 0.202 1033 Q C 0.451 175.946 176.000 -0.840 0.000 0.936 1033 Q CA 0.502 55.613 55.803 -1.153 0.000 0.886 1033 Q CB 0.541 27.875 28.738 -2.340 0.000 0.986 1033 Q HN 0.078 nan 8.270 nan 0.000 0.487 1034 Q N 0.426 119.851 119.800 -0.624 0.000 2.844 1034 Q HA 0.577 4.918 4.340 0.001 0.000 0.235 1034 Q C -0.608 175.276 176.000 -0.194 0.000 1.336 1034 Q CA -0.105 55.531 55.803 -0.279 0.000 1.026 1034 Q CB 0.210 28.779 28.738 -0.281 0.000 1.513 1034 Q HN 0.354 nan 8.270 nan 0.000 0.577 1035 A N -0.210 122.506 122.820 -0.172 0.000 2.605 1035 A HA 0.661 4.981 4.320 0.001 0.000 0.294 1035 A C 0.238 177.767 177.584 -0.092 0.000 1.062 1035 A CA -0.097 51.869 52.037 -0.118 0.000 0.682 1035 A CB 0.696 19.614 19.000 -0.137 0.000 1.278 1035 A HN 1.000 nan 8.150 nan 0.000 0.410 1036 D N -0.136 120.229 120.400 -0.059 0.000 2.701 1036 D HA 0.353 4.993 4.640 0.001 0.000 0.235 1036 D C 1.259 177.542 176.300 -0.028 0.000 1.155 1036 D CA 2.221 56.197 54.000 -0.040 0.000 0.649 1036 D CB -2.249 38.525 40.800 -0.043 0.000 1.050 1036 D HN 2.746 nan 8.370 nan 0.000 0.425 1037 S N -0.030 115.657 115.700 -0.022 0.000 3.477 1037 S HA 0.036 4.507 4.470 0.001 0.000 0.426 1037 S C 1.342 175.947 174.600 0.008 0.000 0.874 1037 S CA 1.251 59.449 58.200 -0.003 0.000 1.341 1037 S CB -1.684 61.519 63.200 0.005 0.000 0.917 1037 S HN 2.128 nan 8.310 nan 0.000 0.607 1038 N N -2.419 116.286 118.700 0.008 0.000 2.815 1038 N HA -0.263 4.478 4.740 0.001 0.000 0.247 1038 N C 1.290 176.825 175.510 0.042 0.000 1.030 1038 N CA 1.532 54.627 53.050 0.073 0.000 0.881 1038 N CB -2.327 36.238 38.487 0.129 0.000 1.134 1038 N HN 1.745 nan 8.380 nan 0.000 0.582 1039 C N 0.014 119.300 119.300 -0.023 0.000 2.410 1039 C HA 0.013 4.473 4.460 0.001 0.000 0.281 1039 C C 2.717 177.678 174.990 -0.048 0.000 1.318 1039 C CA 1.594 60.600 59.018 -0.021 0.000 1.776 1039 C CB -1.327 26.393 27.740 -0.033 0.000 1.942 1039 C HN 0.597 nan 8.230 nan 0.000 0.508 1040 G N -0.543 108.160 108.800 -0.162 0.000 2.402 1040 G HA2 -0.078 3.882 3.960 0.001 0.000 0.216 1040 G HA3 -0.078 3.882 3.960 0.001 0.000 0.216 1040 G C 1.276 176.081 174.900 -0.158 0.000 1.162 1040 G CA 0.845 45.796 45.100 -0.248 0.000 0.777 1040 G HN 0.514 nan 8.290 nan 0.000 0.539 1041 F N 1.802 121.759 119.950 0.011 0.000 2.234 1041 F HA 0.137 4.665 4.527 0.002 0.000 0.299 1041 F C 2.946 178.838 175.800 0.154 0.000 1.087 1041 F CA 0.455 58.559 58.000 0.172 0.000 1.340 1041 F CB -0.485 38.617 39.000 0.170 0.000 1.031 1041 F HN 0.237 nan 8.300 nan 0.000 0.500 1042 A N -0.366 122.599 122.820 0.240 0.000 1.972 1042 A HA -0.165 4.155 4.320 0.001 0.000 0.219 1042 A C 2.148 179.820 177.584 0.148 0.000 1.169 1042 A CA 1.820 53.959 52.037 0.170 0.000 0.635 1042 A CB -0.811 18.250 19.000 0.103 0.000 0.810 1042 A HN 0.294 nan 8.150 nan 0.000 0.446 1043 E N -0.173 120.092 120.200 0.108 0.000 2.051 1043 E HA -0.135 4.216 4.350 0.001 0.000 0.189 1043 E C 1.927 178.595 176.600 0.113 0.000 0.979 1043 E CA 1.269 57.717 56.400 0.080 0.000 0.803 1043 E CB -0.416 29.305 29.700 0.036 0.000 0.761 1043 E HN 0.796 nan 8.360 nan 0.000 0.451 1044 E N -0.981 119.321 120.200 0.170 0.000 2.070 1044 E HA -0.216 4.135 4.350 0.001 0.000 0.197 1044 E C 2.007 178.675 176.600 0.113 0.000 1.004 1044 E CA 1.726 58.291 56.400 0.276 0.000 0.805 1044 E CB -0.402 29.590 29.700 0.488 0.000 0.744 1044 E HN 0.524 nan 8.360 nan 0.000 0.451 1045 Y N 1.615 121.779 120.300 -0.226 0.000 2.224 1045 Y HA -0.254 4.297 4.550 0.001 0.000 0.289 1045 Y C 2.467 178.277 175.900 -0.150 0.000 1.146 1045 Y CA 1.623 59.487 58.100 -0.393 0.000 1.182 1045 Y CB -0.095 38.156 38.460 -0.349 0.000 0.983 1045 Y HN -0.122 nan 8.280 nan 0.000 0.524 1046 E N -0.329 119.862 120.200 -0.016 0.000 2.106 1046 E HA -0.199 4.151 4.350 0.001 0.000 0.192 1046 E C 1.673 178.239 176.600 -0.057 0.000 0.984 1046 E CA 1.294 57.666 56.400 -0.047 0.000 0.806 1046 E CB -0.489 29.229 29.700 0.030 0.000 0.750 1046 E HN 0.683 nan 8.360 nan 0.000 0.458 1047 D N -0.143 120.272 120.400 0.025 0.000 2.182 1047 D HA -0.066 4.575 4.640 0.001 0.000 0.201 1047 D C 1.708 178.045 176.300 0.061 0.000 0.986 1047 D CA 0.769 54.829 54.000 0.099 0.000 0.847 1047 D CB -0.063 40.877 40.800 0.232 0.000 0.942 1047 D HN 0.217 nan 8.370 nan 0.000 0.467 1048 L N 0.206 121.380 121.223 -0.082 0.000 2.552 1048 L HA -0.069 4.271 4.340 0.001 0.000 0.227 1048 L C 2.317 179.020 176.870 -0.277 0.000 1.146 1048 L CA 0.341 55.037 54.840 -0.240 0.000 0.858 1048 L CB -0.220 41.584 42.059 -0.425 0.000 0.969 1048 L HN 0.047 nan 8.230 nan 0.000 0.451 1049 K N -0.074 120.171 120.400 -0.258 0.000 2.209 1049 K HA -0.063 4.257 4.320 0.001 0.000 0.204 1049 K C 1.341 177.842 176.600 -0.165 0.000 1.048 1049 K CA 0.984 57.124 56.287 -0.246 0.000 0.940 1049 K CB -0.812 31.573 32.500 -0.192 0.000 0.729 1049 K HN 0.525 nan 8.250 nan 0.000 0.451 1050 L N 1.244 122.385 121.223 -0.137 0.000 2.640 1050 L HA 0.334 4.675 4.340 0.001 0.000 0.230 1050 L C 0.132 176.908 176.870 -0.156 0.000 1.123 1050 L CA -0.450 54.322 54.840 -0.114 0.000 0.900 1050 L CB 0.737 42.749 42.059 -0.078 0.000 1.146 1050 L HN 0.004 nan 8.230 nan 0.000 0.484 1051 V N 1.538 121.314 119.914 -0.230 0.000 2.493 1051 V HA 0.167 4.287 4.120 0.001 0.000 0.292 1051 V C 1.477 177.377 176.094 -0.324 0.000 1.016 1051 V CA 1.111 63.187 62.300 -0.374 0.000 1.097 1051 V CB 0.220 31.642 31.823 -0.668 0.000 0.947 1051 V HN 0.672 nan 8.190 nan 0.000 0.479 1052 G N 4.473 113.072 108.800 -0.334 0.000 2.184 1052 G HA2 -0.327 3.633 3.960 0.001 0.000 0.264 1052 G HA3 -0.327 3.633 3.960 0.001 0.000 0.264 1052 G C 0.714 175.407 174.900 -0.346 0.000 0.975 1052 G CA 0.605 45.475 45.100 -0.384 0.000 0.642 1052 G HN 1.131 nan 8.290 nan 0.000 0.536 1053 I N -0.096 120.389 120.570 -0.142 0.000 3.176 1053 I HA 0.195 4.366 4.170 0.001 0.000 0.275 1053 I C 2.056 178.149 176.117 -0.041 0.000 1.298 1053 I CA 1.603 62.904 61.300 0.000 0.000 1.445 1053 I CB -0.105 37.899 38.000 0.007 0.000 1.075 1053 I HN 0.357 nan 8.210 nan 0.000 0.482 1054 S N -0.423 115.198 115.700 -0.132 0.000 2.605 1054 S HA 0.196 4.666 4.470 0.001 0.000 0.217 1054 S C 0.614 175.124 174.600 -0.149 0.000 0.958 1054 S CA -0.531 57.601 58.200 -0.113 0.000 0.919 1054 S CB -0.352 62.782 63.200 -0.111 0.000 0.780 1054 S HN 0.616 nan 8.310 nan 0.000 0.507 1055 Q N 2.658 122.310 119.800 -0.246 0.000 2.259 1055 Q HA 0.398 4.739 4.340 0.001 0.000 0.246 1055 Q C -2.529 173.406 176.000 -0.108 0.000 0.920 1055 Q CA -2.413 53.220 55.803 -0.283 0.000 0.895 1055 Q CB 0.641 28.982 28.738 -0.663 0.000 1.220 1055 Q HN 0.281 nan 8.270 nan 0.000 0.439 1056 P HA 0.015 nan 4.420 nan 0.000 0.271 1056 P C -1.197 176.059 177.300 -0.074 0.000 1.216 1056 P CA -0.044 62.947 63.100 -0.181 0.000 0.776 1056 P CB 0.406 32.017 31.700 -0.148 0.000 0.881 1057 K N 1.547 121.824 120.400 -0.204 0.000 3.309 1057 K HA 0.249 4.570 4.320 0.001 0.000 0.187 1057 K C 0.084 176.625 176.600 -0.098 0.000 1.085 1057 K CA -0.499 55.755 56.287 -0.055 0.000 0.867 1057 K CB -0.079 32.420 32.500 -0.002 0.000 0.846 1057 K HN 0.072 nan 8.250 nan 0.000 0.522 1058 Y N 1.329 121.665 120.300 0.060 0.000 2.145 1058 Y HA -0.254 4.297 4.550 0.001 0.000 0.286 1058 Y C 2.740 178.643 175.900 0.005 0.000 1.145 1058 Y CA 1.819 59.936 58.100 0.029 0.000 1.148 1058 Y CB -0.475 38.003 38.460 0.031 0.000 0.981 1058 Y HN 0.501 nan 8.280 nan 0.000 0.507 1059 A N 0.391 123.330 122.820 0.198 0.000 1.869 1059 A HA -0.265 4.055 4.320 0.001 0.000 0.218 1059 A C 2.485 179.991 177.584 -0.129 0.000 1.203 1059 A CA 2.592 54.689 52.037 0.100 0.000 0.638 1059 A CB -1.457 17.688 19.000 0.242 0.000 0.831 1059 A HN 0.436 nan 8.150 nan 0.000 0.450 1060 A N -0.769 122.028 122.820 -0.037 0.000 2.019 1060 A HA -0.140 4.180 4.320 0.001 0.000 0.219 1060 A C 1.804 179.276 177.584 -0.187 0.000 1.164 1060 A CA 1.638 53.571 52.037 -0.173 0.000 0.644 1060 A CB -0.435 18.628 19.000 0.106 0.000 0.805 1060 A HN 0.682 nan 8.150 nan 0.000 0.449 1061 E N -0.662 119.485 120.200 -0.087 0.000 2.479 1061 E HA 0.203 4.554 4.350 0.001 0.000 0.193 1061 E C -0.293 176.282 176.600 -0.042 0.000 1.049 1061 E CA -0.457 55.912 56.400 -0.051 0.000 0.870 1061 E CB 0.026 29.718 29.700 -0.014 0.000 0.944 1061 E HN 0.557 nan 8.360 nan 0.000 0.492 1062 L N 0.604 121.786 121.223 -0.068 0.000 2.467 1062 L HA 0.034 4.375 4.340 0.001 0.000 0.270 1062 L C 1.655 178.487 176.870 -0.063 0.000 1.205 1062 L CA -0.273 54.540 54.840 -0.044 0.000 0.828 1062 L CB 0.557 42.590 42.059 -0.044 0.000 1.101 1062 L HN 0.087 nan 8.230 nan 0.000 0.479 1063 A N 2.151 124.952 122.820 -0.032 0.000 1.892 1063 A HA -0.220 4.100 4.320 0.001 0.000 0.218 1063 A C 1.961 179.521 177.584 -0.039 0.000 1.188 1063 A CA 1.970 53.989 52.037 -0.029 0.000 0.631 1063 A CB -0.512 18.479 19.000 -0.015 0.000 0.822 1063 A HN 0.908 nan 8.150 nan 0.000 0.447 1064 E N 0.223 120.402 120.200 -0.035 0.000 2.268 1064 E HA -0.097 4.253 4.350 0.001 0.000 0.195 1064 E C 1.141 177.710 176.600 -0.053 0.000 0.995 1064 E CA 1.054 57.438 56.400 -0.026 0.000 0.836 1064 E CB -0.102 29.599 29.700 0.002 0.000 0.763 1064 E HN 0.552 nan 8.360 nan 0.000 0.491 1065 N N -0.269 118.352 118.700 -0.132 0.000 2.280 1065 N HA 0.038 4.778 4.740 0.001 0.000 0.192 1065 N C 1.672 177.079 175.510 -0.171 0.000 1.109 1065 N CA 0.677 53.583 53.050 -0.240 0.000 0.855 1065 N CB 0.143 38.226 38.487 -0.673 0.000 0.974 1065 N HN 0.198 nan 8.380 nan 0.000 0.482 1066 R N 1.043 121.483 120.500 -0.099 0.000 2.094 1066 R HA -0.045 4.296 4.340 0.001 0.000 0.239 1066 R C 2.206 178.492 176.300 -0.023 0.000 1.137 1066 R CA 1.873 57.941 56.100 -0.054 0.000 0.943 1066 R CB -1.937 28.341 30.300 -0.037 0.000 0.850 1066 R HN 0.288 nan 8.270 nan 0.000 0.433 1067 G N 0.552 109.344 108.800 -0.013 0.000 2.708 1067 G HA2 -0.129 3.831 3.960 0.001 0.000 0.210 1067 G HA3 -0.129 3.831 3.960 0.001 0.000 0.210 1067 G C 1.396 176.308 174.900 0.019 0.000 1.141 1067 G CA 0.745 45.843 45.100 -0.002 0.000 0.788 1067 G HN 0.641 nan 8.290 nan 0.000 0.531 1068 K N 0.183 120.618 120.400 0.058 0.000 2.367 1068 K HA 0.098 4.419 4.320 0.001 0.000 0.194 1068 K C -0.135 176.546 176.600 0.135 0.000 1.027 1068 K CA -0.133 56.231 56.287 0.129 0.000 1.075 1068 K CB 0.375 33.041 32.500 0.277 0.000 0.845 1068 K HN 0.119 nan 8.250 nan 0.000 0.529 1069 N N 1.821 120.577 118.700 0.092 0.000 2.425 1069 N HA 0.088 4.829 4.740 0.001 0.000 0.268 1069 N C 0.355 175.838 175.510 -0.046 0.000 0.991 1069 N CA -0.070 53.015 53.050 0.059 0.000 0.931 1069 N CB 1.862 40.396 38.487 0.079 0.000 1.130 1069 N HN 0.062 nan 8.380 nan 0.000 0.493 1070 R N 2.280 122.707 120.500 -0.121 0.000 2.073 1070 R HA -0.090 4.250 4.340 0.001 0.000 0.234 1070 R C -0.292 175.695 176.300 -0.522 0.000 1.134 1070 R CA 1.552 57.438 56.100 -0.357 0.000 0.952 1070 R CB 0.134 30.153 30.300 -0.468 0.000 0.850 1070 R HN 0.506 nan 8.270 nan 0.000 0.433 1071 Y N -0.876 119.424 120.300 -0.000 0.000 2.509 1071 Y HA 0.298 4.848 4.550 0.001 0.000 0.341 1071 Y C 0.548 176.444 175.900 -0.006 0.000 1.038 1071 Y CA -1.177 56.920 58.100 -0.004 0.000 1.089 1071 Y CB 1.510 39.965 38.460 -0.008 0.000 1.241 1071 Y HN -0.084 nan 8.280 nan 0.000 0.468 1072 N N 0.901 119.690 118.700 0.149 0.000 2.422 1072 N HA -0.101 4.640 4.740 0.001 0.000 0.181 1072 N C 0.838 176.381 175.510 0.055 0.000 1.080 1072 N CA 0.523 53.617 53.050 0.072 0.000 0.893 1072 N CB -0.017 38.497 38.487 0.045 0.000 0.973 1072 N HN 0.701 nan 8.380 nan 0.000 0.456 1073 N N -0.181 118.561 118.700 0.070 0.000 2.299 1073 N HA -0.002 4.738 4.740 0.001 0.000 0.187 1073 N C -0.321 175.186 175.510 -0.006 0.000 1.099 1073 N CA 0.139 53.200 53.050 0.017 0.000 0.867 1073 N CB 0.353 38.839 38.487 -0.002 0.000 0.974 1073 N HN -0.159 nan 8.380 nan 0.000 0.477 1074 V N 2.404 122.339 119.914 0.035 0.000 2.240 1074 V HA 0.373 4.494 4.120 0.001 0.000 0.265 1074 V C -0.300 175.792 176.094 -0.003 0.000 1.073 1074 V CA -0.489 61.812 62.300 0.003 0.000 0.857 1074 V CB 0.422 32.281 31.823 0.059 0.000 1.114 1074 V HN 0.129 nan 8.190 nan 0.000 0.469 1075 L N 6.596 127.774 121.223 -0.075 0.000 2.346 1075 L HA 0.589 4.930 4.340 0.001 0.000 0.276 1075 L C -2.260 174.496 176.870 -0.189 0.000 1.006 1075 L CA -1.915 52.888 54.840 -0.063 0.000 0.817 1075 L CB 2.900 44.933 42.059 -0.042 0.000 1.272 1075 L HN 0.305 nan 8.230 nan 0.000 0.421 1076 P HA 0.073 nan 4.420 nan 0.000 0.276 1076 P C -1.201 176.058 177.300 -0.069 0.000 1.230 1076 P CA -0.230 62.792 63.100 -0.130 0.000 0.776 1076 P CB 0.425 32.107 31.700 -0.030 0.000 0.888 1077 Y N 1.292 121.611 120.300 0.031 0.000 2.497 1077 Y HA -0.026 4.525 4.550 0.001 0.000 0.334 1077 Y C 1.971 177.899 175.900 0.047 0.000 1.199 1077 Y CA 0.362 58.469 58.100 0.012 0.000 1.425 1077 Y CB -0.253 38.200 38.460 -0.013 0.000 1.291 1077 Y HN 0.394 nan 8.280 nan 0.000 0.562 1078 D N 1.725 122.257 120.400 0.221 0.000 2.123 1078 D HA -0.229 4.411 4.640 0.001 0.000 0.196 1078 D C 2.256 178.656 176.300 0.168 0.000 0.992 1078 D CA 1.392 55.501 54.000 0.181 0.000 0.833 1078 D CB -0.012 40.897 40.800 0.181 0.000 0.954 1078 D HN 0.710 nan 8.370 nan 0.000 0.455 1079 I N 0.866 121.525 120.570 0.149 0.000 2.361 1079 I HA -0.246 3.924 4.170 0.001 0.000 0.251 1079 I C 1.449 177.669 176.117 0.172 0.000 1.133 1079 I CA 1.327 62.702 61.300 0.124 0.000 1.413 1079 I CB 0.145 38.177 38.000 0.054 0.000 1.073 1079 I HN -0.041 nan 8.210 nan 0.000 0.424 1080 S N -0.058 115.773 115.700 0.220 0.000 2.603 1080 S HA 0.155 4.625 4.470 0.001 0.000 0.232 1080 S C 0.762 175.506 174.600 0.241 0.000 1.016 1080 S CA -0.812 57.559 58.200 0.284 0.000 0.976 1080 S CB -0.210 63.206 63.200 0.359 0.000 0.921 1080 S HN 0.441 nan 8.310 nan 0.000 0.516 1081 R N 1.037 121.636 120.500 0.165 0.000 2.694 1081 R HA 0.444 4.784 4.340 0.001 0.000 0.268 1081 R C -0.695 175.621 176.300 0.026 0.000 1.061 1081 R CA -0.550 55.586 56.100 0.059 0.000 1.133 1081 R CB 0.155 30.490 30.300 0.058 0.000 1.020 1081 R HN 0.015 nan 8.270 nan 0.000 0.475 1082 V N 3.216 123.026 119.914 -0.173 0.000 2.427 1082 V HA 0.097 4.217 4.120 0.001 0.000 0.268 1082 V C 0.257 176.304 176.094 -0.078 0.000 1.046 1082 V CA -0.152 62.008 62.300 -0.233 0.000 0.970 1082 V CB 0.531 32.071 31.823 -0.470 0.000 1.001 1082 V HN 0.686 nan 8.190 nan 0.000 0.476 1083 K N 6.354 126.778 120.400 0.039 0.000 2.253 1083 K HA 0.555 4.876 4.320 0.001 0.000 0.277 1083 K C -0.605 176.021 176.600 0.043 0.000 1.053 1083 K CA -0.361 55.955 56.287 0.049 0.000 0.892 1083 K CB 1.222 33.772 32.500 0.084 0.000 1.102 1083 K HN 0.517 nan 8.250 nan 0.000 0.469 1084 L N 1.241 122.481 121.223 0.027 0.000 2.454 1084 L HA 0.257 4.598 4.340 0.001 0.000 0.256 1084 L C 1.110 178.015 176.870 0.059 0.000 1.136 1084 L CA -0.653 54.212 54.840 0.041 0.000 0.804 1084 L CB 0.965 43.043 42.059 0.032 0.000 1.181 1084 L HN 0.663 nan 8.230 nan 0.000 0.469 1085 S N -0.126 115.619 115.700 0.074 0.000 2.617 1085 S HA 0.472 4.943 4.470 0.001 0.000 0.259 1085 S C -0.282 174.356 174.600 0.062 0.000 1.301 1085 S CA -0.687 57.556 58.200 0.072 0.000 0.984 1085 S CB 1.390 64.645 63.200 0.093 0.000 0.954 1085 S HN 0.304 nan 8.310 nan 0.000 0.572 1086 V N 1.537 121.482 119.914 0.051 0.000 3.046 1086 V HA 0.555 4.675 4.120 0.001 0.000 0.316 1086 V C 0.336 176.457 176.094 0.045 0.000 1.104 1086 V CA -0.475 61.849 62.300 0.039 0.000 1.006 1086 V CB 1.835 33.664 31.823 0.010 0.000 1.058 1086 V HN 1.131 nan 8.190 nan 0.000 0.440 1087 Q N -0.003 119.825 119.800 0.048 0.000 2.166 1087 Q HA 0.090 4.430 4.340 0.001 0.000 0.161 1087 Q C 0.998 177.035 176.000 0.062 0.000 0.624 1087 Q CA 0.396 56.231 55.803 0.052 0.000 0.876 1087 Q CB 0.867 29.637 28.738 0.053 0.000 1.140 1087 Q HN 0.588 nan 8.270 nan 0.000 0.347 1088 T N -0.321 114.279 114.554 0.077 0.000 3.042 1088 T HA 0.169 4.520 4.350 0.001 0.000 0.245 1088 T C -0.374 174.431 174.700 0.175 0.000 1.029 1088 T CA 1.130 63.289 62.100 0.098 0.000 1.120 1088 T CB 0.134 69.051 68.868 0.082 0.000 0.917 1088 T HN 0.286 nan 8.240 nan 0.000 0.467 1089 H N -1.024 118.066 119.070 0.033 0.000 2.948 1089 H HA 0.420 4.977 4.556 0.001 0.000 0.315 1089 H C 1.013 176.366 175.328 0.040 0.000 1.360 1089 H CA -0.240 55.827 56.048 0.032 0.000 1.125 1089 H CB 0.772 30.549 29.762 0.025 0.000 1.844 1089 H HN -0.089 nan 8.280 nan 0.000 0.529 1090 S N -0.685 114.622 115.700 -0.656 0.000 2.380 1090 S HA -0.242 4.229 4.470 0.001 0.000 0.229 1090 S C 1.816 176.376 174.600 -0.066 0.000 1.043 1090 S CA 1.997 60.002 58.200 -0.325 0.000 1.038 1090 S CB -0.661 62.313 63.200 -0.376 0.000 0.872 1090 S HN 0.663 nan 8.310 nan 0.000 0.456 1091 T N 1.708 116.274 114.554 0.020 0.000 3.051 1091 T HA -0.072 4.279 4.350 0.001 0.000 0.269 1091 T C 1.192 175.960 174.700 0.112 0.000 1.127 1091 T CA 0.820 62.972 62.100 0.086 0.000 1.107 1091 T CB -0.668 68.261 68.868 0.103 0.000 0.898 1091 T HN 0.332 nan 8.240 nan 0.000 0.517 1092 D N 1.809 122.265 120.400 0.093 0.000 2.190 1092 D HA -0.144 4.497 4.640 0.001 0.000 0.200 1092 D C 1.807 178.167 176.300 0.101 0.000 0.992 1092 D CA 1.360 55.416 54.000 0.094 0.000 0.854 1092 D CB -0.351 40.493 40.800 0.074 0.000 0.936 1092 D HN 0.662 nan 8.370 nan 0.000 0.462 1093 D N -0.565 119.891 120.400 0.093 0.000 2.384 1093 D HA -0.209 4.432 4.640 0.001 0.000 0.222 1093 D C 0.473 176.836 176.300 0.105 0.000 0.976 1093 D CA 0.133 54.185 54.000 0.087 0.000 0.915 1093 D CB -0.826 40.017 40.800 0.071 0.000 0.896 1093 D HN 0.247 nan 8.370 nan 0.000 0.523 1094 Y N 0.409 120.720 120.300 0.019 0.000 2.327 1094 Y HA 0.466 5.016 4.550 0.001 0.000 0.336 1094 Y C -0.660 175.240 175.900 0.001 0.000 1.035 1094 Y CA -0.978 57.130 58.100 0.012 0.000 1.165 1094 Y CB 0.537 39.009 38.460 0.019 0.000 1.181 1094 Y HN -0.067 nan 8.280 nan 0.000 0.494 1095 I N 6.475 126.602 120.570 -0.739 0.000 2.619 1095 I HA 0.254 4.425 4.170 0.001 0.000 0.292 1095 I C -0.957 174.631 176.117 -0.881 0.000 1.100 1095 I CA -0.797 60.122 61.300 -0.636 0.000 1.043 1095 I CB 1.346 39.160 38.000 -0.310 0.000 1.239 1095 I HN 0.644 nan 8.210 nan 0.000 0.420 1096 N N 6.780 125.116 118.700 -0.606 0.000 2.543 1096 N HA 0.342 5.083 4.740 0.001 0.000 0.289 1096 N C -1.186 174.185 175.510 -0.232 0.000 1.223 1096 N CA 0.381 53.224 53.050 -0.344 0.000 1.080 1096 N CB 0.051 38.490 38.487 -0.080 0.000 1.450 1096 N HN 0.658 nan 8.380 nan 0.000 0.501 1097 A N 3.021 125.685 122.820 -0.259 0.000 2.566 1097 A HA 0.554 4.874 4.320 0.001 0.000 0.297 1097 A C -1.233 176.236 177.584 -0.192 0.000 1.059 1097 A CA -0.904 51.008 52.037 -0.208 0.000 0.691 1097 A CB 1.034 19.875 19.000 -0.264 0.000 1.282 1097 A HN 0.603 nan 8.150 nan 0.000 0.401 1098 N N -0.011 118.608 118.700 -0.136 0.000 2.225 1098 N HA 0.575 5.315 4.740 0.001 0.000 0.298 1098 N C -1.584 173.883 175.510 -0.073 0.000 1.076 1098 N CA -0.437 52.572 53.050 -0.067 0.000 0.792 1098 N CB 1.216 39.736 38.487 0.054 0.000 1.498 1098 N HN 0.565 nan 8.380 nan 0.000 0.474 1099 Y N 1.582 121.921 120.300 0.064 0.000 2.544 1099 Y HA 0.178 4.728 4.550 0.001 0.000 0.330 1099 Y C 0.234 176.164 175.900 0.050 0.000 1.136 1099 Y CA 0.145 58.279 58.100 0.057 0.000 1.417 1099 Y CB 0.382 38.864 38.460 0.037 0.000 1.229 1099 Y HN 0.186 nan 8.280 nan 0.000 0.532 1100 M N 5.844 125.576 119.600 0.220 0.000 2.456 1100 M HA 0.404 4.885 4.480 0.001 0.000 0.324 1100 M C -2.733 173.627 176.300 0.100 0.000 1.124 1100 M CA -2.936 52.424 55.300 0.100 0.000 0.959 1100 M CB 1.441 34.114 32.600 0.121 0.000 1.692 1100 M HN 0.259 nan 8.290 nan 0.000 0.444 1101 P HA 0.328 nan 4.420 nan 0.000 0.275 1101 P C 0.079 177.489 177.300 0.183 0.000 1.227 1101 P CA -0.036 63.062 63.100 -0.004 0.000 0.781 1101 P CB 0.706 32.329 31.700 -0.129 0.000 0.906 1102 G N 0.692 109.649 108.800 0.262 0.000 2.795 1102 G HA2 0.132 4.092 3.960 0.001 0.000 0.267 1102 G HA3 0.132 4.092 3.960 0.001 0.000 0.267 1102 G C -0.016 174.991 174.900 0.178 0.000 1.362 1102 G CA -0.372 44.954 45.100 0.377 0.000 1.048 1102 G HN 0.423 nan 8.290 nan 0.000 0.547 1103 Y N -0.678 119.640 120.300 0.029 0.000 2.181 1103 Y HA -0.123 4.428 4.550 0.001 0.000 0.288 1103 Y C 2.745 178.457 175.900 -0.314 0.000 1.146 1103 Y CA 2.490 60.475 58.100 -0.191 0.000 1.164 1103 Y CB 0.021 38.271 38.460 -0.349 0.000 0.982 1103 Y HN 0.601 nan 8.280 nan 0.000 0.515 1104 H N -1.449 117.623 119.070 0.004 0.000 2.431 1104 H HA 0.187 4.743 4.556 0.001 0.000 0.295 1104 H C 0.853 176.125 175.328 -0.093 0.000 1.038 1104 H CA 0.703 56.705 56.048 -0.078 0.000 1.360 1104 H CB 0.226 29.933 29.762 -0.092 0.000 1.433 1104 H HN 0.223 nan 8.280 nan 0.000 0.536 1105 S N -1.336 114.391 115.700 0.046 0.000 2.688 1105 S HA 0.280 4.751 4.470 0.001 0.000 0.275 1105 S C 0.059 174.652 174.600 -0.013 0.000 1.175 1105 S CA -1.010 57.184 58.200 -0.010 0.000 0.818 1105 S CB 1.995 65.179 63.200 -0.026 0.000 1.157 1105 S HN 0.071 nan 8.310 nan 0.000 0.482 1106 K N 0.257 120.632 120.400 -0.042 0.000 2.314 1106 K HA 0.192 4.512 4.320 0.001 0.000 0.198 1106 K C 0.724 177.299 176.600 -0.043 0.000 1.045 1106 K CA 0.466 56.719 56.287 -0.057 0.000 0.988 1106 K CB -0.079 32.382 32.500 -0.065 0.000 0.783 1106 K HN 0.477 nan 8.250 nan 0.000 0.484 1107 K N 0.928 121.287 120.400 -0.068 0.000 2.437 1107 K HA 0.041 4.361 4.320 0.001 0.000 0.205 1107 K C 0.206 176.812 176.600 0.010 0.000 1.026 1107 K CA -0.055 56.193 56.287 -0.064 0.000 1.153 1107 K CB 0.563 32.911 32.500 -0.253 0.000 0.863 1107 K HN 0.010 nan 8.250 nan 0.000 0.502 1108 D N 0.569 120.968 120.400 -0.002 0.000 2.144 1108 D HA -0.095 4.546 4.640 0.001 0.000 0.199 1108 D C 0.105 176.180 176.300 -0.374 0.000 0.984 1108 D CA 1.285 55.181 54.000 -0.174 0.000 0.834 1108 D CB 0.136 40.848 40.800 -0.147 0.000 0.955 1108 D HN 0.058 nan 8.370 nan 0.000 0.465 1109 F N -0.649 119.365 119.950 0.107 0.000 2.561 1109 F HA 0.485 5.012 4.527 -0.000 0.000 0.321 1109 F C 0.120 175.989 175.800 0.115 0.000 1.065 1109 F CA -1.015 57.051 58.000 0.110 0.000 0.934 1109 F CB 1.818 40.881 39.000 0.106 0.000 1.215 1109 F HN -0.385 nan 8.300 nan 0.000 0.471 1110 I N 2.151 122.866 120.570 0.243 0.000 2.389 1110 I HA 0.546 4.717 4.170 0.001 0.000 0.288 1110 I C -0.514 175.661 176.117 0.097 0.000 0.999 1110 I CA -0.724 60.610 61.300 0.058 0.000 1.129 1110 I CB 1.561 39.493 38.000 -0.113 0.000 1.288 1110 I HN 0.661 nan 8.210 nan 0.000 0.444 1111 A N 4.624 127.481 122.820 0.062 0.000 2.290 1111 A HA 0.776 5.096 4.320 0.001 0.000 0.310 1111 A C -0.218 177.372 177.584 0.009 0.000 1.202 1111 A CA -0.281 51.790 52.037 0.056 0.000 0.837 1111 A CB 1.213 20.243 19.000 0.050 0.000 1.139 1111 A HN 0.640 nan 8.150 nan 0.000 0.509 1112 T N 0.919 115.496 114.554 0.038 0.000 2.843 1112 T HA 0.490 4.841 4.350 0.001 0.000 0.302 1112 T C -0.576 174.161 174.700 0.062 0.000 1.232 1112 T CA -0.565 61.540 62.100 0.009 0.000 1.009 1112 T CB 1.172 70.015 68.868 -0.042 0.000 1.254 1112 T HN 0.883 nan 8.240 nan 0.000 0.504 1113 Q N 1.217 121.031 119.800 0.023 0.000 2.417 1113 Q HA 0.551 4.892 4.340 0.001 0.000 0.241 1113 Q C 0.595 176.574 176.000 -0.035 0.000 1.008 1113 Q CA -0.765 55.061 55.803 0.038 0.000 0.901 1113 Q CB 0.158 28.909 28.738 0.020 0.000 1.259 1113 Q HN 0.747 nan 8.270 nan 0.000 0.489 1114 G N 2.509 111.301 108.800 -0.013 0.000 2.299 1114 G HA2 0.236 4.196 3.960 0.001 0.000 0.256 1114 G HA3 0.236 4.196 3.960 0.001 0.000 0.256 1114 G C -2.139 172.576 174.900 -0.308 0.000 1.259 1114 G CA -0.921 44.064 45.100 -0.191 0.000 0.943 1114 G HN 0.572 nan 8.290 nan 0.000 0.479 1115 P HA 0.045 nan 4.420 nan 0.000 0.267 1115 P C 0.193 177.330 177.300 -0.271 0.000 1.200 1115 P CA 0.036 62.857 63.100 -0.465 0.000 0.772 1115 P CB 1.083 32.270 31.700 -0.854 0.000 0.855 1116 L N 4.689 125.810 121.223 -0.169 0.000 2.439 1116 L HA 0.221 4.562 4.340 0.001 0.000 0.259 1116 L C -0.949 175.876 176.870 -0.075 0.000 1.129 1116 L CA -1.993 52.783 54.840 -0.107 0.000 0.803 1116 L CB 0.125 42.137 42.059 -0.078 0.000 1.161 1116 L HN 0.221 nan 8.230 nan 0.000 0.462 1117 P HA -0.186 nan 4.420 nan 0.000 0.216 1117 P C 0.687 177.997 177.300 0.017 0.000 1.154 1117 P CA 1.424 64.520 63.100 -0.005 0.000 0.865 1117 P CB -0.098 31.599 31.700 -0.004 0.000 0.789 1118 N N -1.534 117.171 118.700 0.008 0.000 2.461 1118 N HA -0.022 4.718 4.740 0.001 0.000 0.188 1118 N C 0.695 176.226 175.510 0.035 0.000 1.134 1118 N CA 1.188 54.255 53.050 0.027 0.000 0.878 1118 N CB -0.776 37.724 38.487 0.022 0.000 0.972 1118 N HN 0.230 nan 8.380 nan 0.000 0.456 1119 T N -5.208 109.353 114.554 0.013 0.000 3.040 1119 T HA 0.329 4.680 4.350 0.001 0.000 0.266 1119 T C 2.242 176.949 174.700 0.013 0.000 1.005 1119 T CA 0.283 62.392 62.100 0.015 0.000 0.906 1119 T CB -0.537 68.325 68.868 -0.010 0.000 1.082 1119 T HN 0.045 nan 8.240 nan 0.000 0.531 1120 L N 1.714 122.943 121.223 0.010 0.000 2.079 1120 L HA 0.130 4.470 4.340 0.001 0.000 0.210 1120 L C 2.764 179.738 176.870 0.174 0.000 1.081 1120 L CA 2.515 57.362 54.840 0.013 0.000 0.752 1120 L CB -1.756 40.351 42.059 0.080 0.000 0.896 1120 L HN 0.454 nan 8.230 nan 0.000 0.433 1121 K N -0.360 120.175 120.400 0.224 0.000 2.026 1121 K HA -0.198 4.123 4.320 0.001 0.000 0.208 1121 K C 1.985 178.711 176.600 0.210 0.000 1.048 1121 K CA 1.557 58.008 56.287 0.273 0.000 0.929 1121 K CB -0.472 32.151 32.500 0.204 0.000 0.713 1121 K HN 0.680 nan 8.250 nan 0.000 0.439 1122 D N 0.628 121.106 120.400 0.130 0.000 2.117 1122 D HA -0.173 4.468 4.640 0.001 0.000 0.197 1122 D C 1.713 178.030 176.300 0.029 0.000 0.987 1122 D CA 0.888 54.934 54.000 0.076 0.000 0.829 1122 D CB -0.445 40.379 40.800 0.041 0.000 0.961 1122 D HN 0.081 nan 8.370 nan 0.000 0.460 1123 F N 0.158 120.000 119.950 -0.180 0.000 2.065 1123 F HA -0.221 4.307 4.527 0.002 0.000 0.298 1123 F C 2.060 177.645 175.800 -0.358 0.000 1.112 1123 F CA 1.696 59.466 58.000 -0.383 0.000 1.212 1123 F CB -0.443 38.170 39.000 -0.645 0.000 0.975 1123 F HN -0.027 nan 8.300 nan 0.000 0.476 1124 W N 0.203 121.549 121.300 0.077 0.000 2.418 1124 W HA -0.034 4.625 4.660 -0.001 0.000 0.292 1124 W C 2.701 179.256 176.519 0.059 0.000 1.213 1124 W CA 0.774 58.140 57.345 0.035 0.000 1.283 1124 W CB -0.412 29.084 29.460 0.059 0.000 1.119 1124 W HN -0.188 nan 8.180 nan 0.000 0.542 1125 R N 0.273 120.930 120.500 0.262 0.000 2.083 1125 R HA -0.221 4.120 4.340 0.001 0.000 0.237 1125 R C 2.199 178.608 176.300 0.182 0.000 1.137 1125 R CA 1.989 58.227 56.100 0.232 0.000 0.951 1125 R CB -0.877 29.520 30.300 0.161 0.000 0.851 1125 R HN 0.285 nan 8.270 nan 0.000 0.434 1126 M N 0.508 120.112 119.600 0.005 0.000 2.082 1126 M HA -0.197 4.284 4.480 0.001 0.000 0.258 1126 M C 2.049 178.297 176.300 -0.087 0.000 1.069 1126 M CA 1.765 57.008 55.300 -0.095 0.000 1.102 1126 M CB -0.104 32.338 32.600 -0.262 0.000 1.336 1126 M HN -0.015 nan 8.290 nan 0.000 0.404 1127 V N 0.429 120.253 119.914 -0.151 0.000 2.324 1127 V HA -0.323 3.797 4.120 0.001 0.000 0.250 1127 V C 2.149 178.344 176.094 0.169 0.000 1.060 1127 V CA 2.443 64.709 62.300 -0.056 0.000 1.042 1127 V CB -1.163 30.647 31.823 -0.022 0.000 0.650 1127 V HN 0.831 nan 8.190 nan 0.000 0.450 1128 W N 1.150 122.528 121.300 0.130 0.000 2.408 1128 W HA -0.107 4.553 4.660 -0.000 0.000 0.311 1128 W C 2.179 178.821 176.519 0.205 0.000 1.190 1128 W CA 1.670 59.147 57.345 0.220 0.000 1.321 1128 W CB -0.356 29.203 29.460 0.166 0.000 1.143 1128 W HN 0.326 nan 8.180 nan 0.000 0.501 1129 E N 0.370 120.615 120.200 0.075 0.000 2.110 1129 E HA -0.190 4.161 4.350 0.001 0.000 0.193 1129 E C 1.609 178.120 176.600 -0.147 0.000 0.988 1129 E CA 1.078 57.442 56.400 -0.060 0.000 0.804 1129 E CB -0.099 29.698 29.700 0.162 0.000 0.745 1129 E HN -0.011 nan 8.360 nan 0.000 0.458 1130 K N 1.028 121.377 120.400 -0.084 0.000 2.446 1130 K HA 0.094 4.414 4.320 0.001 0.000 0.203 1130 K C -0.343 176.188 176.600 -0.115 0.000 1.027 1130 K CA -0.123 56.128 56.287 -0.061 0.000 1.166 1130 K CB -0.143 32.360 32.500 0.006 0.000 0.869 1130 K HN 0.134 nan 8.250 nan 0.000 0.504 1131 N N 0.651 119.215 118.700 -0.227 0.000 2.705 1131 N HA -0.164 4.576 4.740 0.001 0.000 0.255 1131 N C -0.524 174.899 175.510 -0.145 0.000 1.008 1131 N CA 0.437 53.300 53.050 -0.312 0.000 0.742 1131 N CB -1.743 36.525 38.487 -0.365 0.000 0.906 1131 N HN -0.061 nan 8.380 nan 0.000 0.541 1132 V N 0.623 120.507 119.914 -0.050 0.000 2.455 1132 V HA 0.239 4.360 4.120 0.001 0.000 0.273 1132 V C 1.629 177.757 176.094 0.056 0.000 1.045 1132 V CA 0.765 63.062 62.300 -0.006 0.000 0.976 1132 V CB 0.306 32.114 31.823 -0.026 0.000 0.993 1132 V HN 0.507 nan 8.190 nan 0.000 0.475 1133 Y N 2.334 122.664 120.300 0.050 0.000 2.535 1133 Y HA 0.765 5.315 4.550 0.001 0.000 0.266 1133 Y C 1.002 176.977 175.900 0.125 0.000 1.088 1133 Y CA 0.221 58.377 58.100 0.092 0.000 1.285 1133 Y CB 0.170 38.667 38.460 0.062 0.000 1.166 1133 Y HN 0.780 nan 8.280 nan 0.000 0.525 1134 A N 0.029 122.922 122.820 0.121 0.000 2.365 1134 A HA 0.730 5.051 4.320 0.001 0.000 0.318 1134 A C -0.977 176.708 177.584 0.168 0.000 1.091 1134 A CA -0.625 51.519 52.037 0.178 0.000 0.763 1134 A CB 0.898 20.032 19.000 0.224 0.000 1.248 1134 A HN 0.482 nan 8.150 nan 0.000 0.442 1135 I N 2.634 123.329 120.570 0.208 0.000 2.474 1135 I HA 0.382 4.552 4.170 0.001 0.000 0.294 1135 I C -0.981 175.285 176.117 0.248 0.000 1.005 1135 I CA -0.697 60.737 61.300 0.224 0.000 1.113 1135 I CB 1.908 40.068 38.000 0.267 0.000 1.289 1135 I HN 0.390 nan 8.210 nan 0.000 0.436 1136 I N 6.477 127.144 120.570 0.162 0.000 2.390 1136 I HA 0.346 4.516 4.170 0.001 0.000 0.283 1136 I C -0.262 175.791 176.117 -0.106 0.000 1.016 1136 I CA -0.549 60.770 61.300 0.031 0.000 1.151 1136 I CB 1.238 39.084 38.000 -0.257 0.000 1.293 1136 I HN 0.617 nan 8.210 nan 0.000 0.458 1137 M N 7.284 126.835 119.600 -0.082 0.000 2.080 1137 M HA 0.418 4.899 4.480 0.001 0.000 0.350 1137 M C -0.870 175.235 176.300 -0.324 0.000 1.173 1137 M CA -0.135 54.951 55.300 -0.356 0.000 1.052 1137 M CB 0.819 33.416 32.600 -0.004 0.000 1.577 1137 M HN 0.526 nan 8.290 nan 0.000 0.455 1138 L N 5.661 126.678 121.223 -0.344 0.000 3.094 1138 L HA 0.341 4.681 4.340 0.001 0.000 0.254 1138 L C -0.064 176.710 176.870 -0.159 0.000 1.298 1138 L CA -0.236 54.502 54.840 -0.171 0.000 1.050 1138 L CB -0.077 41.921 42.059 -0.103 0.000 1.420 1138 L HN 0.874 nan 8.230 nan 0.000 0.548 1152 Y N 2.364 122.526 120.300 -0.230 0.000 2.462 1152 Y HA 0.389 4.945 4.550 0.010 0.000 0.293 1152 Y C -0.395 175.675 175.900 0.284 0.000 1.195 1152 Y CA -0.762 57.316 58.100 -0.037 0.000 1.276 1152 Y CB -0.314 37.995 38.460 -0.252 0.000 1.082 1152 Y HN 0.283 nan 8.280 nan 0.000 0.514 1153 W N -0.557 120.744 121.300 0.001 0.000 2.950 1153 W HA 0.772 5.425 4.660 -0.012 0.000 0.340 1153 W C -3.245 173.394 176.519 0.200 0.000 1.139 1153 W CA -3.508 53.919 57.345 0.136 0.000 1.188 1153 W CB 0.397 29.852 29.460 -0.009 0.000 1.426 1153 W HN -0.315 nan 8.180 nan 0.000 0.531 1154 P HA 0.125 nan 4.420 nan 0.000 0.270 1154 P C 0.162 177.667 177.300 0.342 0.000 1.242 1154 P CA 0.102 63.377 63.100 0.291 0.000 0.768 1154 P CB 0.824 32.672 31.700 0.246 0.000 0.820 1159 Q N 0.958 120.660 119.800 -0.164 0.000 2.306 1159 Q HA 0.488 4.828 4.340 0.001 0.000 0.265 1159 Q C -1.410 174.267 176.000 -0.538 0.000 1.022 1159 Q CA -0.740 54.839 55.803 -0.373 0.000 0.853 1159 Q CB 2.357 30.773 28.738 -0.535 0.000 1.327 1159 Q HN 0.719 nan 8.270 nan 0.000 0.449 1160 D N 1.132 121.220 120.400 -0.521 0.000 2.177 1160 D HA 0.322 4.963 4.640 0.001 0.000 0.247 1160 D C -1.056 174.884 176.300 -0.601 0.000 1.063 1160 D CA 0.030 53.774 54.000 -0.427 0.000 0.867 1160 D CB 0.601 41.269 40.800 -0.221 0.000 1.168 1160 D HN 0.267 nan 8.370 nan 0.000 0.445 1161 Y N 1.093 121.363 120.300 -0.050 0.000 2.526 1161 Y HA 0.461 5.009 4.550 -0.003 0.000 0.328 1161 Y C 1.214 177.146 175.900 0.052 0.000 0.995 1161 Y CA -0.674 57.452 58.100 0.042 0.000 1.304 1161 Y CB 1.456 40.006 38.460 0.150 0.000 1.096 1161 Y HN 0.624 nan 8.280 nan 0.000 0.499 1162 G N 2.040 110.920 108.800 0.133 0.000 2.561 1162 G HA2 -0.329 3.632 3.960 0.001 0.000 0.289 1162 G HA3 -0.329 3.632 3.960 0.001 0.000 0.289 1162 G C 0.482 175.395 174.900 0.022 0.000 1.169 1162 G CA 0.562 45.711 45.100 0.082 0.000 0.980 1162 G HN 0.559 nan 8.290 nan 0.000 0.550 1163 D N 1.171 121.574 120.400 0.005 0.000 2.325 1163 D HA 0.238 4.879 4.640 0.001 0.000 0.225 1163 D C 0.849 177.072 176.300 -0.129 0.000 1.096 1163 D CA 0.562 54.524 54.000 -0.063 0.000 0.844 1163 D CB 0.647 41.404 40.800 -0.072 0.000 0.925 1163 D HN 0.370 nan 8.370 nan 0.000 0.513 1164 I N 0.468 120.998 120.570 -0.066 0.000 2.509 1164 I HA 0.128 4.298 4.170 0.001 0.000 0.293 1164 I C -0.109 175.972 176.117 -0.059 0.000 1.020 1164 I CA -0.398 60.845 61.300 -0.095 0.000 1.088 1164 I CB 2.540 40.554 38.000 0.024 0.000 1.267 1164 I HN -0.291 nan 8.210 nan 0.000 0.430 1165 T N 5.793 120.278 114.554 -0.115 0.000 2.779 1165 T HA 0.595 4.946 4.350 0.001 0.000 0.280 1165 T C -0.964 173.669 174.700 -0.112 0.000 0.987 1165 T CA -0.385 61.642 62.100 -0.122 0.000 0.966 1165 T CB 0.964 69.760 68.868 -0.119 0.000 0.933 1165 T HN 0.257 nan 8.240 nan 0.000 0.442 1166 V N 4.496 124.328 119.914 -0.137 0.000 2.444 1166 V HA 0.798 4.919 4.120 0.001 0.000 0.294 1166 V C 0.143 176.231 176.094 -0.010 0.000 1.022 1166 V CA -0.851 61.352 62.300 -0.160 0.000 0.850 1166 V CB 1.192 32.692 31.823 -0.539 0.000 0.992 1166 V HN 1.109 nan 8.190 nan 0.000 0.426 1167 A N 5.878 128.745 122.820 0.079 0.000 2.342 1167 A HA 0.873 5.193 4.320 0.001 0.000 0.323 1167 A C -0.530 177.173 177.584 0.199 0.000 1.125 1167 A CA -0.638 51.464 52.037 0.108 0.000 0.785 1167 A CB 1.482 20.510 19.000 0.047 0.000 1.221 1167 A HN 0.882 nan 8.150 nan 0.000 0.463 1168 M N 2.772 122.454 119.600 0.137 0.000 2.264 1168 M HA 0.374 4.855 4.480 0.001 0.000 0.352 1168 M C 0.776 176.996 176.300 -0.133 0.000 1.173 1168 M CA 0.241 55.472 55.300 -0.114 0.000 1.075 1168 M CB 1.209 33.732 32.600 -0.127 0.000 1.621 1168 M HN 0.825 nan 8.290 nan 0.000 0.457 1169 T N -0.686 113.738 114.554 -0.216 0.000 2.975 1169 T HA 0.296 4.647 4.350 0.001 0.000 0.261 1169 T C 0.229 174.851 174.700 -0.130 0.000 0.984 1169 T CA -0.215 61.813 62.100 -0.120 0.000 0.911 1169 T CB 0.231 69.058 68.868 -0.068 0.000 1.127 1169 T HN 0.559 nan 8.240 nan 0.000 0.514 1170 S N 0.340 115.916 115.700 -0.207 0.000 2.542 1170 S HA 0.507 4.977 4.470 0.001 0.000 0.276 1170 S C -2.320 172.158 174.600 -0.205 0.000 1.148 1170 S CA -0.592 57.513 58.200 -0.158 0.000 0.886 1170 S CB 2.019 65.146 63.200 -0.120 0.000 1.109 1170 S HN 0.466 nan 8.310 nan 0.000 0.458 1171 E N 3.785 123.910 120.200 -0.125 0.000 2.302 1171 E HA 0.524 4.875 4.350 0.001 0.000 0.263 1171 E C -1.771 174.805 176.600 -0.041 0.000 0.897 1171 E CA -0.520 55.818 56.400 -0.104 0.000 0.809 1171 E CB 0.857 30.511 29.700 -0.078 0.000 1.270 1171 E HN 0.539 nan 8.360 nan 0.000 0.410 1172 I N 4.531 125.090 120.570 -0.018 0.000 2.355 1172 I HA 0.261 4.432 4.170 0.001 0.000 0.288 1172 I C -0.730 175.427 176.117 0.066 0.000 0.999 1172 I CA -0.709 60.610 61.300 0.032 0.000 1.163 1172 I CB 1.800 39.836 38.000 0.060 0.000 1.316 1172 I HN 0.295 nan 8.210 nan 0.000 0.454 1173 V N 7.415 127.362 119.914 0.054 0.000 2.370 1173 V HA 0.494 4.615 4.120 0.001 0.000 0.279 1173 V C 0.246 176.369 176.094 0.048 0.000 1.029 1173 V CA -0.435 61.901 62.300 0.060 0.000 0.870 1173 V CB 1.200 33.043 31.823 0.033 0.000 0.984 1173 V HN 0.510 nan 8.190 nan 0.000 0.451 1178 T N -0.557 114.374 114.554 0.628 0.000 2.883 1178 T HA 0.851 5.201 4.350 0.001 0.000 0.296 1178 T C -1.418 173.469 174.700 0.311 0.000 1.117 1178 T CA -0.852 61.491 62.100 0.404 0.000 1.006 1178 T CB 1.701 70.674 68.868 0.175 0.000 1.191 1178 T HN 0.775 nan 8.240 nan 0.000 0.508 1179 I N 1.207 121.853 120.570 0.126 0.000 2.509 1179 I HA 0.618 4.789 4.170 0.001 0.000 0.293 1179 I C 0.037 176.047 176.117 -0.178 0.000 1.020 1179 I CA -1.018 60.218 61.300 -0.106 0.000 1.088 1179 I CB 2.194 40.096 38.000 -0.164 0.000 1.267 1179 I HN 0.541 nan 8.210 nan 0.000 0.430 1180 R N 3.585 123.919 120.500 -0.277 0.000 2.686 1180 R HA 0.543 4.884 4.340 0.001 0.000 0.283 1180 R C -1.721 174.347 176.300 -0.386 0.000 0.978 1180 R CA -1.023 54.861 56.100 -0.360 0.000 0.897 1180 R CB 2.401 32.446 30.300 -0.425 0.000 1.192 1180 R HN 0.459 nan 8.270 nan 0.000 0.457 1181 D N 2.091 122.195 120.400 -0.493 0.000 2.375 1181 D HA 0.426 5.066 4.640 0.001 0.000 0.247 1181 D C -0.837 175.163 176.300 -0.500 0.000 1.061 1181 D CA -0.062 53.748 54.000 -0.316 0.000 0.834 1181 D CB 1.396 42.096 40.800 -0.167 0.000 1.247 1181 D HN 0.183 nan 8.370 nan 0.000 0.489 1182 F N -0.324 119.640 119.950 0.024 0.000 2.611 1182 F HA 0.495 5.022 4.527 0.000 0.000 0.324 1182 F C 0.740 176.577 175.800 0.062 0.000 1.061 1182 F CA -0.852 57.177 58.000 0.049 0.000 0.954 1182 F CB 2.036 41.091 39.000 0.091 0.000 1.301 1182 F HN -0.095 nan 8.300 nan 0.000 0.482 1183 T N 1.820 116.520 114.554 0.243 0.000 2.779 1183 T HA 0.580 4.931 4.350 0.001 0.000 0.280 1183 T C -0.968 173.815 174.700 0.138 0.000 0.987 1183 T CA -0.510 61.690 62.100 0.166 0.000 0.966 1183 T CB 1.261 70.187 68.868 0.096 0.000 0.933 1183 T HN 0.294 nan 8.240 nan 0.000 0.442 1184 V N 3.361 123.363 119.914 0.146 0.000 2.398 1184 V HA 0.841 4.961 4.120 0.001 0.000 0.286 1184 V C 0.298 176.432 176.094 0.066 0.000 1.026 1184 V CA -0.855 61.522 62.300 0.127 0.000 0.868 1184 V CB 0.997 32.994 31.823 0.291 0.000 0.982 1184 V HN 0.967 nan 8.190 nan 0.000 0.443 1185 K N 2.596 122.962 120.400 -0.057 0.000 2.443 1185 K HA 0.581 4.901 4.320 0.001 0.000 0.252 1185 K C -0.439 175.878 176.600 -0.472 0.000 0.933 1185 K CA -0.892 55.278 56.287 -0.194 0.000 0.792 1185 K CB 1.486 33.921 32.500 -0.110 0.000 1.185 1185 K HN 0.643 nan 8.250 nan 0.000 0.425 1186 N N 1.568 119.744 118.700 -0.874 0.000 2.452 1186 N HA 0.164 4.905 4.740 0.001 0.000 0.266 1186 N C 0.510 175.789 175.510 -0.385 0.000 1.175 1186 N CA 0.361 52.891 53.050 -0.867 0.000 0.945 1186 N CB 0.807 38.646 38.487 -1.080 0.000 1.063 1186 N HN 0.813 nan 8.380 nan 0.000 0.472 1187 I N 2.473 122.874 120.570 -0.281 0.000 3.688 1187 I HA 0.118 4.288 4.170 0.001 0.000 0.307 1187 I C 0.739 176.785 176.117 -0.118 0.000 1.287 1187 I CA 0.423 61.625 61.300 -0.164 0.000 1.192 1187 I CB -1.310 36.612 38.000 -0.130 0.000 1.043 1187 I HN 0.609 nan 8.210 nan 0.000 0.442 1192 S N 2.146 117.962 115.700 0.194 0.000 2.541 1192 S HA 0.887 5.358 4.470 0.001 0.000 0.271 1192 S C -0.748 173.882 174.600 0.050 0.000 1.133 1192 S CA -0.907 57.337 58.200 0.073 0.000 0.876 1192 S CB 1.055 64.291 63.200 0.061 0.000 1.105 1192 S HN 0.718 nan 8.310 nan 0.000 0.470 1193 H N 0.102 119.313 119.070 0.234 0.000 2.797 1193 H HA 0.683 5.240 4.556 0.001 0.000 0.372 1193 H C -3.066 172.351 175.328 0.149 0.000 1.168 1193 H CA -2.331 53.797 56.048 0.132 0.000 1.163 1193 H CB 0.711 30.508 29.762 0.058 0.000 1.778 1193 H HN 0.316 nan 8.280 nan 0.000 0.551 1194 P HA 0.431 nan 4.420 nan 0.000 0.285 1194 P C -0.906 176.519 177.300 0.209 0.000 1.280 1194 P CA -0.882 62.331 63.100 0.190 0.000 0.862 1194 P CB 1.640 33.421 31.700 0.135 0.000 1.153 1195 L N 0.606 121.961 121.223 0.221 0.000 2.422 1195 L HA 0.650 4.991 4.340 0.001 0.000 0.264 1195 L C -0.704 176.284 176.870 0.196 0.000 0.984 1195 L CA -0.701 54.285 54.840 0.244 0.000 0.819 1195 L CB 2.231 44.499 42.059 0.348 0.000 1.330 1195 L HN 0.299 nan 8.230 nan 0.000 0.410 1196 R N 3.271 123.841 120.500 0.117 0.000 2.439 1196 R HA 0.445 4.785 4.340 0.001 0.000 0.310 1196 R C -1.302 174.934 176.300 -0.107 0.000 0.955 1196 R CA -0.462 55.596 56.100 -0.070 0.000 0.853 1196 R CB 1.324 31.491 30.300 -0.222 0.000 1.171 1196 R HN 0.754 nan 8.270 nan 0.000 0.449 1197 Q N 4.713 124.456 119.800 -0.095 0.000 2.271 1197 Q HA 0.252 4.593 4.340 0.001 0.000 0.258 1197 Q C -1.466 174.385 176.000 -0.248 0.000 0.936 1197 Q CA -0.520 55.272 55.803 -0.018 0.000 0.909 1197 Q CB 0.913 29.748 28.738 0.161 0.000 1.253 1197 Q HN 0.540 nan 8.270 nan 0.000 0.440 1198 F N 3.155 123.141 119.950 0.061 0.000 2.308 1198 F HA 0.231 4.761 4.527 0.005 0.000 0.370 1198 F C -0.111 175.878 175.800 0.316 0.000 1.100 1198 F CA -0.692 57.379 58.000 0.118 0.000 1.108 1198 F CB 0.855 39.800 39.000 -0.092 0.000 1.293 1198 F HN 0.602 nan 8.300 nan 0.000 0.478 1199 H N 3.728 122.995 119.070 0.329 0.000 2.552 1199 H HA 0.350 4.912 4.556 0.010 0.000 0.311 1199 H C -1.217 174.266 175.328 0.259 0.000 1.071 1199 H CA -0.702 55.478 56.048 0.220 0.000 1.307 1199 H CB 0.689 30.499 29.762 0.081 0.000 1.416 1199 H HN 0.438 nan 8.280 nan 0.000 0.464 1200 F N 5.719 125.408 119.950 -0.435 0.000 2.415 1200 F HA 0.459 4.986 4.527 0.000 0.000 0.348 1200 F C -0.734 174.893 175.800 -0.287 0.000 1.119 1200 F CA -0.333 57.310 58.000 -0.594 0.000 1.069 1200 F CB 0.717 38.986 39.000 -1.218 0.000 1.124 1200 F HN 0.689 nan 8.300 nan 0.000 0.472 1212 T N -2.152 112.507 114.554 0.175 0.000 3.081 1212 T HA 0.145 4.496 4.350 0.001 0.000 0.250 1212 T C 0.976 175.766 174.700 0.151 0.000 1.100 1212 T CA 0.943 63.117 62.100 0.123 0.000 1.038 1212 T CB -0.457 68.264 68.868 -0.246 0.000 0.962 1212 T HN 0.558 nan 8.240 nan 0.000 0.516 1213 D N 2.106 122.593 120.400 0.146 0.000 2.106 1213 D HA -0.059 4.582 4.640 0.001 0.000 0.191 1213 D C 2.631 179.073 176.300 0.237 0.000 0.997 1213 D CA 1.804 55.897 54.000 0.155 0.000 0.834 1213 D CB -0.785 40.096 40.800 0.135 0.000 0.956 1213 D HN 0.495 nan 8.370 nan 0.000 0.448 1214 L N 0.137 121.540 121.223 0.300 0.000 2.046 1214 L HA -0.025 4.316 4.340 0.001 0.000 0.208 1214 L C 2.452 179.554 176.870 0.386 0.000 1.077 1214 L CA 1.733 56.828 54.840 0.425 0.000 0.747 1214 L CB -1.560 40.777 42.059 0.464 0.000 0.896 1214 L HN 0.144 nan 8.230 nan 0.000 0.432 1215 L N -0.716 120.697 121.223 0.317 0.000 2.005 1215 L HA -0.073 4.267 4.340 0.001 0.000 0.207 1215 L C 2.478 179.419 176.870 0.119 0.000 1.072 1215 L CA 1.948 56.896 54.840 0.181 0.000 0.744 1215 L CB -0.543 41.706 42.059 0.316 0.000 0.895 1215 L HN 0.447 nan 8.230 nan 0.000 0.433 1216 I N -0.099 120.541 120.570 0.117 0.000 2.163 1216 I HA -0.332 3.839 4.170 0.001 0.000 0.243 1216 I C 2.128 178.333 176.117 0.148 0.000 1.085 1216 I CA 1.297 62.636 61.300 0.066 0.000 1.347 1216 I CB -0.605 37.451 38.000 0.093 0.000 1.044 1216 I HN 0.375 nan 8.210 nan 0.000 0.408 1217 N N 0.874 119.702 118.700 0.214 0.000 2.084 1217 N HA -0.213 4.527 4.740 0.001 0.000 0.190 1217 N C 1.785 177.322 175.510 0.044 0.000 1.030 1217 N CA 1.319 54.514 53.050 0.242 0.000 0.849 1217 N CB -0.641 38.085 38.487 0.398 0.000 1.012 1217 N HN 0.266 nan 8.380 nan 0.000 0.423 1218 F N 2.451 122.298 119.950 -0.172 0.000 2.250 1218 F HA -0.119 4.407 4.527 -0.001 0.000 0.301 1218 F C 2.395 177.928 175.800 -0.444 0.000 1.077 1218 F CA 1.193 58.833 58.000 -0.600 0.000 1.348 1218 F CB 0.006 38.600 39.000 -0.677 0.000 1.040 1218 F HN -0.044 nan 8.300 nan 0.000 0.509 1219 R N -0.659 119.657 120.500 -0.307 0.000 2.057 1219 R HA -0.158 4.183 4.340 0.001 0.000 0.224 1219 R C 2.211 178.263 176.300 -0.413 0.000 1.136 1219 R CA 1.650 57.534 56.100 -0.360 0.000 0.968 1219 R CB -1.391 28.654 30.300 -0.424 0.000 0.863 1219 R HN 0.294 nan 8.270 nan 0.000 0.433 1220 Y N 1.614 121.734 120.300 -0.300 0.000 2.151 1220 Y HA -0.279 4.272 4.550 0.000 0.000 0.284 1220 Y C 2.349 178.102 175.900 -0.246 0.000 1.166 1220 Y CA 1.771 59.727 58.100 -0.239 0.000 1.163 1220 Y CB -0.640 37.725 38.460 -0.159 0.000 0.974 1220 Y HN 0.120 nan 8.280 nan 0.000 0.511 1221 L N -0.604 120.502 121.223 -0.195 0.000 1.963 1221 L HA -0.246 4.095 4.340 0.001 0.000 0.220 1221 L C 2.349 178.992 176.870 -0.379 0.000 1.076 1221 L CA 1.727 56.386 54.840 -0.303 0.000 0.772 1221 L CB -1.126 40.493 42.059 -0.734 0.000 0.892 1221 L HN 0.046 nan 8.230 nan 0.000 0.435 1222 V N 0.035 119.417 119.914 -0.887 0.000 2.324 1222 V HA -0.307 3.813 4.120 0.001 0.000 0.250 1222 V C 2.745 178.521 176.094 -0.529 0.000 1.060 1222 V CA 1.942 63.452 62.300 -1.317 0.000 1.042 1222 V CB -0.805 30.243 31.823 -1.291 0.000 0.650 1222 V HN 0.472 nan 8.190 nan 0.000 0.450 1223 R N 0.194 120.547 120.500 -0.245 0.000 2.316 1223 R HA -0.054 4.287 4.340 0.001 0.000 0.202 1223 R C 1.962 178.295 176.300 0.055 0.000 1.029 1223 R CA 1.083 57.140 56.100 -0.073 0.000 1.018 1223 R CB -1.294 28.928 30.300 -0.130 0.000 0.888 1223 R HN 0.808 nan 8.270 nan 0.000 0.471 1224 D N -0.364 120.112 120.400 0.127 0.000 2.218 1224 D HA -0.143 4.498 4.640 0.001 0.000 0.204 1224 D C 0.500 176.712 176.300 -0.146 0.000 0.976 1224 D CA 1.213 55.141 54.000 -0.122 0.000 0.853 1224 D CB -0.148 40.346 40.800 -0.510 0.000 0.939 1224 D HN 0.140 nan 8.370 nan 0.000 0.481 1235 I N 2.476 122.974 120.570 -0.120 0.000 2.304 1235 I HA 0.298 4.469 4.170 0.001 0.000 0.291 1235 I C 0.558 176.746 176.117 0.118 0.000 1.018 1235 I CA -0.807 60.477 61.300 -0.028 0.000 1.260 1235 I CB 1.433 39.358 38.000 -0.125 0.000 1.390 1235 I HN 0.311 nan 8.210 nan 0.000 0.475 1236 L N 8.407 129.691 121.223 0.102 0.000 2.281 1236 L HA 0.472 4.813 4.340 0.001 0.000 0.285 1236 L C -0.887 176.088 176.870 0.175 0.000 1.074 1236 L CA -0.353 54.546 54.840 0.098 0.000 0.817 1236 L CB 0.712 42.760 42.059 -0.019 0.000 1.168 1236 L HN 0.332 nan 8.230 nan 0.000 0.434 1237 V N 4.594 124.622 119.914 0.190 0.000 2.444 1237 V HA 0.453 4.573 4.120 0.001 0.000 0.294 1237 V C -0.796 175.385 176.094 0.144 0.000 1.022 1237 V CA -0.598 61.782 62.300 0.132 0.000 0.850 1237 V CB 1.404 33.310 31.823 0.138 0.000 0.992 1237 V HN 0.941 nan 8.190 nan 0.000 0.426 1238 H N 2.090 121.185 119.070 0.043 0.000 2.806 1238 H HA 0.784 5.339 4.556 -0.001 0.000 0.367 1238 H C 0.009 175.355 175.328 0.031 0.000 1.136 1238 H CA -0.392 55.676 56.048 0.034 0.000 1.178 1238 H CB 1.430 31.210 29.762 0.030 0.000 1.718 1238 H HN 0.696 nan 8.280 nan 0.000 0.540 1239 C N 1.107 120.431 119.300 0.041 0.000 2.547 1239 C HA 0.602 5.063 4.460 0.001 0.000 0.069 1239 C C 1.953 177.032 174.990 0.148 0.000 2.301 1239 C CA 0.497 59.526 59.018 0.018 0.000 1.723 1239 C CB 0.741 28.489 27.740 0.014 0.000 2.679 1239 C HN 0.816 nan 8.230 nan 0.000 0.342 1240 S N 0.156 115.933 115.700 0.127 0.000 2.620 1240 S HA 0.335 4.806 4.470 0.001 0.000 0.234 1240 S C 1.799 176.531 174.600 0.220 0.000 1.064 1240 S CA 1.007 59.307 58.200 0.167 0.000 0.920 1240 S CB -0.603 62.698 63.200 0.169 0.000 0.826 1240 S HN 1.090 nan 8.310 nan 0.000 0.557 1241 A N -0.148 122.809 122.820 0.229 0.000 2.267 1241 A HA 0.558 4.879 4.320 0.001 0.000 0.213 1241 A C 1.449 179.105 177.584 0.120 0.000 1.192 1241 A CA 0.716 52.904 52.037 0.252 0.000 0.851 1241 A CB -0.747 18.311 19.000 0.096 0.000 0.881 1241 A HN 1.457 nan 8.150 nan 0.000 0.494 1242 G N -1.716 107.141 108.800 0.096 0.000 2.182 1242 G HA2 -0.169 3.791 3.960 0.001 0.000 0.248 1242 G HA3 -0.169 3.791 3.960 0.001 0.000 0.248 1242 G C 0.477 175.403 174.900 0.044 0.000 1.042 1242 G CA 0.502 45.647 45.100 0.075 0.000 0.775 1242 G HN 0.854 nan 8.290 nan 0.000 0.501 1243 V N -1.379 118.555 119.914 0.033 0.000 3.570 1243 V HA 0.381 4.502 4.120 0.001 0.000 0.193 1243 V C 2.614 178.724 176.094 0.026 0.000 1.386 1243 V CA 1.903 64.214 62.300 0.019 0.000 1.285 1243 V CB -0.490 31.330 31.823 -0.006 0.000 1.237 1243 V HN 0.633 nan 8.190 nan 0.000 0.553 1244 G N 0.560 109.371 108.800 0.017 0.000 2.679 1244 G HA2 -0.184 3.777 3.960 0.001 0.000 0.214 1244 G HA3 -0.184 3.777 3.960 0.001 0.000 0.214 1244 G C 1.417 176.341 174.900 0.039 0.000 1.315 1244 G CA 1.086 46.202 45.100 0.027 0.000 0.836 1244 G HN 0.377 nan 8.290 nan 0.000 0.580 1245 R N 0.126 120.643 120.500 0.028 0.000 2.117 1245 R HA -0.025 4.316 4.340 0.001 0.000 0.243 1245 R C 2.862 179.212 176.300 0.083 0.000 1.143 1245 R CA 1.879 58.008 56.100 0.049 0.000 0.968 1245 R CB -1.025 29.294 30.300 0.032 0.000 0.863 1245 R HN 0.391 nan 8.270 nan 0.000 0.444 1246 T N -0.436 114.151 114.554 0.055 0.000 2.665 1246 T HA -0.167 4.183 4.350 0.001 0.000 0.268 1246 T C 1.974 176.713 174.700 0.065 0.000 1.035 1246 T CA 1.608 63.743 62.100 0.059 0.000 1.151 1246 T CB -0.753 68.140 68.868 0.042 0.000 0.862 1246 T HN 0.571 nan 8.240 nan 0.000 0.438 1247 G N 1.012 109.841 108.800 0.048 0.000 2.402 1247 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 1247 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 1247 G C 1.737 176.660 174.900 0.038 0.000 1.162 1247 G CA 1.371 46.491 45.100 0.033 0.000 0.777 1247 G HN 0.465 nan 8.290 nan 0.000 0.539 1248 T N 0.736 115.335 114.554 0.076 0.000 2.720 1248 T HA -0.135 4.216 4.350 0.001 0.000 0.268 1248 T C 1.907 176.643 174.700 0.060 0.000 1.037 1248 T CA 1.199 63.350 62.100 0.085 0.000 1.144 1248 T CB -0.278 68.659 68.868 0.116 0.000 0.864 1248 T HN 0.251 nan 8.240 nan 0.000 0.444 1249 F N 1.564 121.491 119.950 -0.039 0.000 2.051 1249 F HA -0.023 4.506 4.527 0.003 0.000 0.296 1249 F C 2.040 177.740 175.800 -0.166 0.000 1.122 1249 F CA 1.051 59.007 58.000 -0.074 0.000 1.201 1249 F CB -0.454 38.518 39.000 -0.047 0.000 0.978 1249 F HN 0.053 nan 8.300 nan 0.000 0.472 1250 I N 0.453 120.921 120.570 -0.170 0.000 2.118 1250 I HA -0.379 3.792 4.170 0.001 0.000 0.241 1250 I C 2.732 178.619 176.117 -0.384 0.000 1.070 1250 I CA 1.381 62.363 61.300 -0.529 0.000 1.327 1250 I CB -1.102 36.517 38.000 -0.636 0.000 1.034 1250 I HN 0.290 nan 8.210 nan 0.000 0.405 1251 A N 0.658 123.349 122.820 -0.215 0.000 1.892 1251 A HA -0.275 4.046 4.320 0.001 0.000 0.218 1251 A C 2.289 179.766 177.584 -0.179 0.000 1.188 1251 A CA 2.096 54.055 52.037 -0.130 0.000 0.631 1251 A CB -0.854 18.116 19.000 -0.049 0.000 0.822 1251 A HN 0.416 nan 8.150 nan 0.000 0.447 1252 I N 0.085 120.503 120.570 -0.253 0.000 2.394 1252 I HA -0.159 4.012 4.170 0.001 0.000 0.251 1252 I C 1.827 177.703 176.117 -0.402 0.000 1.136 1252 I CA 1.988 63.113 61.300 -0.292 0.000 1.425 1252 I CB -0.358 37.478 38.000 -0.273 0.000 1.079 1252 I HN 0.468 nan 8.210 nan 0.000 0.425 1253 D N -0.039 120.049 120.400 -0.518 0.000 2.097 1253 D HA -0.201 4.439 4.640 0.001 0.000 0.195 1253 D C 2.360 178.505 176.300 -0.259 0.000 0.989 1253 D CA 1.448 55.154 54.000 -0.489 0.000 0.827 1253 D CB 0.016 40.564 40.800 -0.420 0.000 0.966 1253 D HN 0.247 nan 8.370 nan 0.000 0.456 1254 R N -0.334 120.115 120.500 -0.086 0.000 2.075 1254 R HA -0.023 4.318 4.340 0.001 0.000 0.232 1254 R C 2.520 178.822 176.300 0.003 0.000 1.126 1254 R CA 0.776 56.930 56.100 0.090 0.000 0.963 1254 R CB -0.312 30.060 30.300 0.120 0.000 0.858 1254 R HN 0.287 nan 8.270 nan 0.000 0.435 1255 L N 0.506 121.669 121.223 -0.100 0.000 2.046 1255 L HA -0.190 4.150 4.340 0.001 0.000 0.208 1255 L C 2.382 179.142 176.870 -0.184 0.000 1.077 1255 L CA 1.294 56.062 54.840 -0.119 0.000 0.747 1255 L CB -0.382 41.584 42.059 -0.156 0.000 0.896 1255 L HN 0.209 nan 8.230 nan 0.000 0.432 1256 I N -1.441 118.954 120.570 -0.293 0.000 2.226 1256 I HA -0.350 3.821 4.170 0.001 0.000 0.245 1256 I C 2.417 178.316 176.117 -0.362 0.000 1.100 1256 I CA 1.679 62.759 61.300 -0.367 0.000 1.374 1256 I CB -0.427 37.235 38.000 -0.564 0.000 1.057 1256 I HN 0.200 nan 8.210 nan 0.000 0.413 1257 Y N 0.616 120.678 120.300 -0.396 0.000 2.145 1257 Y HA -0.316 4.235 4.550 0.001 0.000 0.286 1257 Y C 2.901 178.416 175.900 -0.643 0.000 1.145 1257 Y CA 1.367 59.068 58.100 -0.666 0.000 1.148 1257 Y CB -0.273 37.481 38.460 -1.176 0.000 0.981 1257 Y HN 0.189 nan 8.280 nan 0.000 0.507 1258 Q N 0.525 120.201 119.800 -0.207 0.000 2.135 1258 Q HA -0.214 4.126 4.340 0.001 0.000 0.204 1258 Q C 2.043 178.025 176.000 -0.029 0.000 0.981 1258 Q CA 1.698 57.529 55.803 0.047 0.000 0.856 1258 Q CB -0.220 28.604 28.738 0.142 0.000 0.902 1258 Q HN 0.577 nan 8.270 nan 0.000 0.425 1259 I N 0.177 120.691 120.570 -0.093 0.000 2.493 1259 I HA -0.217 3.954 4.170 0.001 0.000 0.254 1259 I C 1.663 177.740 176.117 -0.067 0.000 1.160 1259 I CA 1.063 62.308 61.300 -0.091 0.000 1.445 1259 I CB -0.107 37.814 38.000 -0.131 0.000 1.086 1259 I HN 0.240 nan 8.210 nan 0.000 0.433 1260 E N 0.455 120.609 120.200 -0.076 0.000 2.190 1260 E HA -0.053 4.297 4.350 0.001 0.000 0.191 1260 E C 1.558 178.148 176.600 -0.018 0.000 0.978 1260 E CA 0.813 57.187 56.400 -0.042 0.000 0.839 1260 E CB 0.132 29.809 29.700 -0.038 0.000 0.787 1260 E HN 0.535 nan 8.360 nan 0.000 0.473 1261 N N -0.161 118.527 118.700 -0.019 0.000 2.511 1261 N HA -0.008 4.733 4.740 0.001 0.000 0.190 1261 N C 0.317 175.858 175.510 0.051 0.000 1.037 1261 N CA 0.101 53.168 53.050 0.027 0.000 0.895 1261 N CB 0.470 38.989 38.487 0.053 0.000 1.149 1261 N HN -0.107 nan 8.380 nan 0.000 0.437 1262 E N 0.509 120.754 120.200 0.075 0.000 2.405 1262 E HA 0.181 4.532 4.350 0.001 0.000 0.253 1262 E C -0.272 176.342 176.600 0.023 0.000 1.257 1262 E CA 0.067 56.500 56.400 0.056 0.000 0.960 1262 E CB 0.390 30.134 29.700 0.074 0.000 1.077 1262 E HN 0.077 nan 8.360 nan 0.000 0.512 1263 N N 0.340 119.048 118.700 0.014 0.000 2.599 1263 N HA 0.123 4.864 4.740 0.001 0.000 0.309 1263 N C -1.494 174.014 175.510 -0.004 0.000 1.743 1263 N CA 0.075 53.125 53.050 -0.000 0.000 0.918 1263 N CB 0.280 38.769 38.487 0.003 0.000 1.339 1263 N HN 0.491 nan 8.380 nan 0.000 0.493 1264 T N -3.016 111.534 114.554 -0.007 0.000 2.841 1264 T HA 0.664 5.015 4.350 0.001 0.000 0.296 1264 T C -0.577 174.104 174.700 -0.032 0.000 1.166 1264 T CA -0.613 61.482 62.100 -0.008 0.000 1.007 1264 T CB 2.170 71.044 68.868 0.009 0.000 1.253 1264 T HN -0.220 nan 8.240 nan 0.000 0.511 1265 V N 1.138 121.031 119.914 -0.035 0.000 2.638 1265 V HA 0.705 4.826 4.120 0.001 0.000 0.306 1265 V C -1.197 174.902 176.094 0.008 0.000 1.052 1265 V CA -0.662 61.599 62.300 -0.065 0.000 0.885 1265 V CB 1.816 33.526 31.823 -0.189 0.000 0.999 1265 V HN 1.100 nan 8.190 nan 0.000 0.424 1266 D N 2.865 123.286 120.400 0.035 0.000 2.517 1266 D HA 0.320 4.960 4.640 0.001 0.000 0.263 1266 D C 0.538 176.922 176.300 0.139 0.000 1.233 1266 D CA -0.150 53.907 54.000 0.096 0.000 0.849 1266 D CB 1.625 42.476 40.800 0.086 0.000 1.261 1266 D HN 0.158 nan 8.370 nan 0.000 0.516 1267 V N 1.946 121.964 119.914 0.173 0.000 2.295 1267 V HA -0.228 3.893 4.120 0.001 0.000 0.246 1267 V C 2.031 178.307 176.094 0.302 0.000 1.049 1267 V CA 1.517 63.915 62.300 0.163 0.000 1.024 1267 V CB -0.811 31.057 31.823 0.075 0.000 0.648 1267 V HN 0.574 nan 8.190 nan 0.000 0.447 1268 Y N 1.859 122.341 120.300 0.304 0.000 2.128 1268 Y HA -0.209 4.342 4.550 0.001 0.000 0.284 1268 Y C 2.340 178.400 175.900 0.267 0.000 1.154 1268 Y CA 2.030 60.349 58.100 0.366 0.000 1.149 1268 Y CB -0.664 37.977 38.460 0.301 0.000 0.976 1268 Y HN 0.219 nan 8.280 nan 0.000 0.505 1269 G N -0.271 108.740 108.800 0.353 0.000 2.448 1269 G HA2 -0.168 3.793 3.960 0.001 0.000 0.218 1269 G HA3 -0.168 3.793 3.960 0.001 0.000 0.218 1269 G C 1.648 176.648 174.900 0.166 0.000 1.135 1269 G CA 0.933 46.164 45.100 0.219 0.000 0.784 1269 G HN 0.493 nan 8.290 nan 0.000 0.543 1270 I N 0.443 121.102 120.570 0.148 0.000 2.202 1270 I HA -0.138 4.033 4.170 0.001 0.000 0.242 1270 I C 2.723 178.913 176.117 0.122 0.000 1.091 1270 I CA 0.535 61.905 61.300 0.118 0.000 1.368 1270 I CB -0.128 37.922 38.000 0.084 0.000 1.058 1270 I HN 0.015 nan 8.210 nan 0.000 0.410 1271 V N 0.082 120.073 119.914 0.128 0.000 2.358 1271 V HA -0.321 3.800 4.120 0.001 0.000 0.246 1271 V C 2.253 178.382 176.094 0.059 0.000 1.047 1271 V CA 1.802 64.165 62.300 0.105 0.000 1.035 1271 V CB -0.889 31.033 31.823 0.165 0.000 0.658 1271 V HN 0.369 nan 8.190 nan 0.000 0.452 1272 Y N 1.629 121.859 120.300 -0.117 0.000 2.040 1272 Y HA -0.371 4.180 4.550 0.001 0.000 0.275 1272 Y C 2.460 178.350 175.900 -0.017 0.000 1.171 1272 Y CA 2.466 60.488 58.100 -0.129 0.000 1.123 1272 Y CB -0.523 37.854 38.460 -0.139 0.000 0.963 1272 Y HN 0.383 nan 8.280 nan 0.000 0.493 1273 D N -0.438 120.147 120.400 0.308 0.000 2.123 1273 D HA -0.202 4.439 4.640 0.001 0.000 0.196 1273 D C 2.183 178.656 176.300 0.288 0.000 0.992 1273 D CA 1.731 55.904 54.000 0.288 0.000 0.833 1273 D CB -0.360 40.579 40.800 0.232 0.000 0.954 1273 D HN 0.463 nan 8.370 nan 0.000 0.455 1274 L N -0.141 121.191 121.223 0.181 0.000 2.046 1274 L HA -0.119 4.222 4.340 0.001 0.000 0.208 1274 L C 2.669 179.629 176.870 0.150 0.000 1.077 1274 L CA 0.881 55.819 54.840 0.163 0.000 0.747 1274 L CB -0.433 41.675 42.059 0.083 0.000 0.896 1274 L HN 0.035 nan 8.230 nan 0.000 0.432 1275 R N -0.331 120.196 120.500 0.046 0.000 2.120 1275 R HA -0.106 4.234 4.340 0.001 0.000 0.234 1275 R C 2.027 178.312 176.300 -0.024 0.000 1.123 1275 R CA 1.086 57.181 56.100 -0.008 0.000 0.975 1275 R CB -0.468 29.741 30.300 -0.151 0.000 0.866 1275 R HN 0.347 nan 8.270 nan 0.000 0.446 1276 M N -0.120 119.407 119.600 -0.122 0.000 2.549 1276 M HA -0.086 4.394 4.480 0.001 0.000 0.260 1276 M C 0.809 176.863 176.300 -0.410 0.000 1.076 1276 M CA 1.536 56.646 55.300 -0.316 0.000 1.090 1276 M CB -0.662 31.737 32.600 -0.335 0.000 1.418 1276 M HN 0.194 nan 8.290 nan 0.000 0.486 1277 H N -1.749 117.388 119.070 0.113 0.000 2.885 1277 H HA 0.376 4.932 4.556 0.001 0.000 0.260 1277 H C 0.362 175.867 175.328 0.295 0.000 0.985 1277 H CA 0.015 56.181 56.048 0.196 0.000 1.210 1277 H CB 0.932 30.777 29.762 0.140 0.000 1.466 1277 H HN 0.139 nan 8.280 nan 0.000 0.493 1278 R N 0.804 121.511 120.500 0.346 0.000 2.604 1278 R HA 0.239 4.580 4.340 0.001 0.000 0.261 1278 R C -3.174 173.161 176.300 0.058 0.000 1.080 1278 R CA -1.967 54.190 56.100 0.096 0.000 0.917 1278 R CB 1.746 32.079 30.300 0.055 0.000 1.252 1278 R HN -0.085 nan 8.270 nan 0.000 0.456 1279 P HA 0.165 nan 4.420 nan 0.000 0.274 1279 P C 0.139 177.418 177.300 -0.036 0.000 1.231 1279 P CA 0.079 63.135 63.100 -0.073 0.000 0.790 1279 P CB 0.644 32.221 31.700 -0.205 0.000 0.951 1280 L N -2.890 118.322 121.223 -0.018 0.000 4.884 1280 L HA -0.204 4.136 4.340 0.001 0.000 0.430 1280 L C 0.394 177.275 176.870 0.018 0.000 1.087 1280 L CA 0.208 55.041 54.840 -0.013 0.000 1.033 1280 L CB -1.602 40.439 42.059 -0.030 0.000 2.030 1280 L HN 0.420 nan 8.230 nan 0.000 0.762 1281 M N 0.844 120.460 119.600 0.027 0.000 2.290 1281 M HA 0.154 4.634 4.480 0.001 0.000 0.356 1281 M C 1.024 177.377 176.300 0.089 0.000 1.448 1281 M CA 0.821 56.151 55.300 0.050 0.000 0.993 1281 M CB -0.255 32.376 32.600 0.051 0.000 1.934 1281 M HN 0.053 nan 8.290 nan 0.000 0.461 1282 V N 3.370 123.352 119.914 0.112 0.000 4.056 1282 V HA -0.246 3.874 4.120 0.001 0.000 0.459 1282 V C 1.045 177.283 176.094 0.239 0.000 0.682 1282 V CA 1.143 63.553 62.300 0.184 0.000 1.872 1282 V CB -1.553 30.434 31.823 0.273 0.000 2.268 1282 V HN 1.078 nan 8.190 nan 0.000 0.494 1283 Q N 2.355 122.254 119.800 0.165 0.000 2.396 1283 Q HA 0.118 4.459 4.340 0.001 0.000 0.209 1283 Q C 0.857 176.979 176.000 0.203 0.000 0.906 1283 Q CA 1.121 57.015 55.803 0.153 0.000 0.927 1283 Q CB 0.764 29.530 28.738 0.048 0.000 1.069 1283 Q HN 1.055 nan 8.270 nan 0.000 0.523 1284 T N -3.403 111.211 114.554 0.100 0.000 2.893 1284 T HA 0.222 4.572 4.350 0.001 0.000 0.291 1284 T C 0.449 174.856 174.700 -0.488 0.000 1.028 1284 T CA -0.735 61.315 62.100 -0.083 0.000 0.995 1284 T CB 1.663 70.490 68.868 -0.068 0.000 1.051 1284 T HN 0.203 nan 8.240 nan 0.000 0.470 1285 E N 0.968 120.647 120.200 -0.868 0.000 2.208 1285 E HA -0.295 4.056 4.350 0.001 0.000 0.202 1285 E C 1.079 177.496 176.600 -0.305 0.000 1.014 1285 E CA 1.859 57.736 56.400 -0.871 0.000 0.819 1285 E CB -0.032 29.409 29.700 -0.431 0.000 0.735 1285 E HN 0.723 nan 8.360 nan 0.000 0.469 1286 D N -0.328 119.967 120.400 -0.174 0.000 2.149 1286 D HA -0.124 4.517 4.640 0.001 0.000 0.201 1286 D C 1.978 178.288 176.300 0.017 0.000 0.972 1286 D CA 0.850 54.821 54.000 -0.048 0.000 0.835 1286 D CB 0.086 40.865 40.800 -0.036 0.000 0.966 1286 D HN 0.378 nan 8.370 nan 0.000 0.476 1287 Q N -0.378 119.418 119.800 -0.006 0.000 2.049 1287 Q HA -0.164 4.176 4.340 0.001 0.000 0.198 1287 Q C 2.030 178.114 176.000 0.140 0.000 0.971 1287 Q CA 0.910 56.755 55.803 0.070 0.000 0.833 1287 Q CB -0.213 28.556 28.738 0.051 0.000 0.896 1287 Q HN 0.335 nan 8.270 nan 0.000 0.434 1288 Y N 0.953 121.232 120.300 -0.035 0.000 2.081 1288 Y HA -0.308 4.242 4.550 0.001 0.000 0.280 1288 Y C 2.139 178.000 175.900 -0.064 0.000 1.163 1288 Y CA 1.528 59.635 58.100 0.011 0.000 1.135 1288 Y CB -0.316 38.162 38.460 0.031 0.000 0.970 1288 Y HN -0.134 nan 8.280 nan 0.000 0.498 1289 V N -0.152 119.745 119.914 -0.028 0.000 2.407 1289 V HA -0.295 3.825 4.120 0.001 0.000 0.248 1289 V C 2.133 178.127 176.094 -0.167 0.000 1.055 1289 V CA 2.036 64.171 62.300 -0.275 0.000 1.049 1289 V CB -0.929 30.809 31.823 -0.142 0.000 0.662 1289 V HN 0.538 nan 8.190 nan 0.000 0.455 1290 F N -0.112 119.763 119.950 -0.126 0.000 2.186 1290 F HA -0.119 4.409 4.527 0.001 0.000 0.299 1290 F C 2.058 177.817 175.800 -0.068 0.000 1.090 1290 F CA 1.431 59.395 58.000 -0.060 0.000 1.307 1290 F CB -0.145 38.842 39.000 -0.021 0.000 1.019 1290 F HN 0.014 nan 8.300 nan 0.000 0.489 1291 L N 0.380 121.622 121.223 0.031 0.000 2.013 1291 L HA -0.324 4.017 4.340 0.001 0.000 0.212 1291 L C 2.337 179.103 176.870 -0.173 0.000 1.073 1291 L CA 1.717 56.506 54.840 -0.085 0.000 0.753 1291 L CB -0.805 41.194 42.059 -0.100 0.000 0.890 1291 L HN 0.241 nan 8.230 nan 0.000 0.432 1292 N N -0.546 118.045 118.700 -0.182 0.000 2.223 1292 N HA -0.217 4.523 4.740 0.001 0.000 0.185 1292 N C 1.824 177.415 175.510 0.135 0.000 1.016 1292 N CA 1.224 54.301 53.050 0.046 0.000 0.863 1292 N CB -0.075 38.307 38.487 -0.175 0.000 0.983 1292 N HN 0.494 nan 8.380 nan 0.000 0.429 1293 Q N 0.209 119.975 119.800 -0.056 0.000 2.050 1293 Q HA -0.089 4.251 4.340 0.001 0.000 0.202 1293 Q C 2.388 178.198 176.000 -0.317 0.000 0.980 1293 Q CA 1.278 56.977 55.803 -0.174 0.000 0.840 1293 Q CB -0.060 28.521 28.738 -0.262 0.000 0.898 1293 Q HN 0.435 nan 8.270 nan 0.000 0.424 1294 C N -0.477 118.565 119.300 -0.431 0.000 2.413 1294 C HA -0.097 4.364 4.460 0.001 0.000 0.277 1294 C C 2.617 177.467 174.990 -0.234 0.000 1.265 1294 C CA 0.336 59.153 59.018 -0.334 0.000 1.752 1294 C CB -0.846 26.706 27.740 -0.314 0.000 1.998 1294 C HN 0.342 nan 8.230 nan 0.000 0.489 1295 V N 0.604 120.382 119.914 -0.227 0.000 2.307 1295 V HA -0.167 3.953 4.120 0.001 0.000 0.245 1295 V C 2.390 178.318 176.094 -0.278 0.000 1.045 1295 V CA 1.896 64.008 62.300 -0.313 0.000 1.024 1295 V CB -0.733 30.781 31.823 -0.516 0.000 0.651 1295 V HN 0.504 nan 8.190 nan 0.000 0.449 1296 L N 0.439 121.590 121.223 -0.120 0.000 2.051 1296 L HA -0.239 4.102 4.340 0.001 0.000 0.214 1296 L C 2.052 178.830 176.870 -0.155 0.000 1.076 1296 L CA 2.200 56.978 54.840 -0.103 0.000 0.758 1296 L CB -0.900 40.825 42.059 -0.556 0.000 0.890 1296 L HN 0.345 nan 8.230 nan 0.000 0.433 1297 D N -0.117 120.177 120.400 -0.177 0.000 2.077 1297 D HA -0.173 4.467 4.640 0.001 0.000 0.196 1297 D C 2.503 178.745 176.300 -0.097 0.000 0.986 1297 D CA 2.262 56.185 54.000 -0.128 0.000 0.829 1297 D CB -0.635 40.093 40.800 -0.121 0.000 0.983 1297 D HN 0.432 nan 8.370 nan 0.000 0.453 1298 I N 1.050 121.556 120.570 -0.107 0.000 2.185 1298 I HA -0.237 3.934 4.170 0.001 0.000 0.246 1298 I C 2.691 178.759 176.117 -0.081 0.000 1.088 1298 I CA 1.561 62.811 61.300 -0.084 0.000 1.347 1298 I CB -1.484 36.455 38.000 -0.102 0.000 1.041 1298 I HN 0.018 nan 8.210 nan 0.000 0.415 1299 V N 0.456 120.311 119.914 -0.098 0.000 3.330 1299 V HA -0.050 4.070 4.120 0.001 0.000 0.273 1299 V C 1.552 177.629 176.094 -0.028 0.000 1.179 1299 V CA 1.118 63.382 62.300 -0.060 0.000 1.174 1299 V CB -1.511 30.292 31.823 -0.034 0.000 0.794 1299 V HN 0.759 nan 8.190 nan 0.000 0.527 1300 R N 0.000 120.477 120.500 -0.038 0.000 2.786 1300 R HA 0.000 4.341 4.340 0.001 0.000 0.208 1300 R CA 0.000 56.084 56.100 -0.027 0.000 0.921 1300 R CB 0.000 30.281 30.300 -0.032 0.000 0.687 1300 R HN 0.000 nan 8.270 nan 0.000 0.535