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 1xcg_1_E DATA FIRST_RESID 714 DATA SEQUENCE QNWQHTVGKD VVAGLTQREI DRQEVINELF VTEASHLRTL RVLDLIFYQR DATA SEQUENCE MKKENLMPRE ELARLFPNLP ELIEIHNSWC EAMKKLREEG PIIKEISDLM DATA SEQUENCE LARFDGPARE ELQQVAAQFC SYQSIALELI KTKQRKESRF QLFMQEAESH DATA SEQUENCE PQCRRLQLRD LIISEMQRLT KYPLLLESII KHTEGGTSEH EKLCRARDQC DATA SEQUENCE REILKYVNEA VKQTENRHRL EGYQKRLDAT ALERASNPLA AEFKSLDLTT DATA SEQUENCE RKMIHEGPLT WRISKDKTLD LHVLLLEDLL VLLQKQDEKL LLKCHSKXXX DATA SEQUENCE XXXXXXXTFS PVLKLNAVLI RSVATDKRAF FIICTSKLGP PQIYELVALT DATA SEQUENCE SSDKNTWMEL LEEAVRNA 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 714 Q HA 0.000 nan 4.340 nan 0.000 0.214 714 Q C 0.000 176.051 176.000 0.086 0.000 1.003 714 Q CA 0.000 55.839 55.803 0.059 0.000 1.022 714 Q CB 0.000 28.765 28.738 0.045 0.000 1.108 715 N N -0.624 118.139 118.700 0.104 0.000 2.455 715 N HA 0.225 4.946 4.740 -0.032 0.000 0.285 715 N C -1.340 174.259 175.510 0.147 0.000 1.080 715 N CA -0.528 52.610 53.050 0.147 0.000 0.932 715 N CB 1.142 39.748 38.487 0.198 0.000 1.610 715 N HN 0.258 nan 8.380 nan 0.000 0.493 716 W N 2.904 124.199 121.300 -0.009 0.000 2.332 716 W HA -0.201 4.440 4.660 -0.032 0.000 0.321 716 W C 1.987 178.466 176.519 -0.067 0.000 1.219 716 W CA 2.145 59.468 57.345 -0.037 0.000 1.277 716 W CB 0.059 29.481 29.460 -0.064 0.000 1.161 716 W HN 0.741 nan 8.180 nan 0.000 0.476 717 Q N -1.756 118.094 119.800 0.084 0.000 2.364 717 Q HA -0.197 4.124 4.340 -0.032 0.000 0.207 717 Q C 1.073 176.806 176.000 -0.446 0.000 0.970 717 Q CA 1.888 57.556 55.803 -0.225 0.000 0.888 717 Q CB -0.787 27.874 28.738 -0.128 0.000 0.951 717 Q HN 0.524 nan 8.270 nan 0.000 0.469 718 H N -0.073 118.937 119.070 -0.100 0.000 2.586 718 H HA 0.125 4.661 4.556 -0.032 0.000 0.273 718 H C 1.191 176.442 175.328 -0.129 0.000 0.997 718 H CA 0.927 56.918 56.048 -0.096 0.000 1.177 718 H CB 0.936 30.673 29.762 -0.041 0.000 1.471 718 H HN 0.508 nan 8.280 nan 0.000 0.538 719 T N -3.534 110.951 114.554 -0.114 0.000 3.257 719 T HA 0.043 4.374 4.350 -0.032 0.000 0.176 719 T C 1.917 176.459 174.700 -0.263 0.000 0.892 719 T CA 0.309 62.331 62.100 -0.131 0.000 1.147 719 T CB -0.568 68.261 68.868 -0.064 0.000 1.840 719 T HN -0.076 nan 8.240 nan 0.000 0.375 720 V N 2.529 122.237 119.914 -0.344 0.000 2.252 720 V HA 0.101 4.201 4.120 -0.032 0.000 0.249 720 V C 1.911 177.593 176.094 -0.686 0.000 1.056 720 V CA 1.848 63.902 62.300 -0.410 0.000 1.022 720 V CB -1.483 30.167 31.823 -0.288 0.000 0.641 720 V HN 0.859 nan 8.190 nan 0.000 0.445 721 G N -1.409 106.527 108.800 -1.440 0.000 2.403 721 G HA2 0.433 4.374 3.960 -0.032 0.000 0.259 721 G HA3 0.433 4.374 3.960 -0.032 0.000 0.259 721 G C 0.250 174.738 174.900 -0.687 0.000 1.244 721 G CA 0.087 44.347 45.100 -1.400 0.000 0.849 721 G HN 0.321 nan 8.290 nan 0.000 0.532 722 K N 0.179 120.336 120.400 -0.404 0.000 3.118 722 K HA 0.001 4.302 4.320 -0.032 0.000 0.239 722 K C 1.089 177.603 176.600 -0.143 0.000 2.173 722 K CA -0.137 56.013 56.287 -0.228 0.000 1.423 722 K CB 0.127 32.524 32.500 -0.171 0.000 2.463 722 K HN 0.420 nan 8.250 nan 0.000 0.515 723 D N 1.043 121.373 120.400 -0.117 0.000 2.234 723 D HA -0.050 4.571 4.640 -0.032 0.000 0.205 723 D C 1.489 177.757 176.300 -0.054 0.000 0.962 723 D CA 1.159 55.118 54.000 -0.068 0.000 0.855 723 D CB 0.581 41.350 40.800 -0.052 0.000 0.951 723 D HN 0.166 nan 8.370 nan 0.000 0.500 724 V N -1.523 118.348 119.914 -0.072 0.000 3.590 724 V HA 0.115 4.216 4.120 -0.032 0.000 0.265 724 V C 2.307 178.415 176.094 0.024 0.000 1.239 724 V CA 0.279 62.569 62.300 -0.016 0.000 1.117 724 V CB -0.087 31.741 31.823 0.008 0.000 0.818 724 V HN 0.007 nan 8.190 nan 0.000 0.451 725 V N 1.365 121.272 119.914 -0.012 0.000 2.720 725 V HA -0.144 3.957 4.120 -0.032 0.000 0.256 725 V C 2.733 178.849 176.094 0.036 0.000 1.082 725 V CA 2.107 64.437 62.300 0.049 0.000 1.101 725 V CB -0.199 31.614 31.823 -0.015 0.000 0.693 725 V HN 0.589 nan 8.190 nan 0.000 0.479 726 A N 0.025 122.851 122.820 0.011 0.000 1.898 726 A HA 0.030 4.331 4.320 -0.032 0.000 0.216 726 A C 2.118 179.712 177.584 0.017 0.000 1.181 726 A CA 1.492 53.534 52.037 0.009 0.000 0.620 726 A CB -0.998 18.003 19.000 0.001 0.000 0.819 726 A HN 0.694 nan 8.150 nan 0.000 0.442 727 G N -0.868 107.945 108.800 0.022 0.000 3.279 727 G HA2 0.429 4.370 3.960 -0.032 0.000 0.230 727 G HA3 0.429 4.370 3.960 -0.032 0.000 0.230 727 G C 0.097 175.015 174.900 0.029 0.000 1.230 727 G CA -0.146 44.968 45.100 0.023 0.000 0.891 727 G HN 0.329 nan 8.290 nan 0.000 0.518 728 L N -0.335 120.909 121.223 0.035 0.000 2.354 728 L HA 0.411 4.732 4.340 -0.032 0.000 0.269 728 L C 0.403 177.282 176.870 0.016 0.000 1.005 728 L CA -0.804 54.056 54.840 0.033 0.000 0.819 728 L CB 2.378 44.476 42.059 0.065 0.000 1.311 728 L HN -0.025 nan 8.230 nan 0.000 0.423 729 T N -0.028 114.527 114.554 0.001 0.000 2.813 729 T HA -0.020 4.311 4.350 -0.032 0.000 0.297 729 T C 0.722 175.409 174.700 -0.021 0.000 1.036 729 T CA 0.051 62.147 62.100 -0.007 0.000 1.044 729 T CB 1.303 70.167 68.868 -0.007 0.000 0.993 729 T HN 0.671 nan 8.240 nan 0.000 0.535 730 Q N 1.773 121.560 119.800 -0.022 0.000 2.167 730 Q HA 0.007 4.327 4.340 -0.032 0.000 0.202 730 Q C 2.277 178.228 176.000 -0.082 0.000 0.970 730 Q CA 1.624 57.403 55.803 -0.040 0.000 0.855 730 Q CB -0.098 28.626 28.738 -0.023 0.000 0.911 730 Q HN 0.529 nan 8.270 nan 0.000 0.438 731 R N -0.098 120.368 120.500 -0.056 0.000 2.092 731 R HA -0.120 4.201 4.340 -0.032 0.000 0.231 731 R C 1.824 178.059 176.300 -0.109 0.000 1.119 731 R CA 1.465 57.531 56.100 -0.056 0.000 0.970 731 R CB -0.039 30.271 30.300 0.017 0.000 0.864 731 R HN 0.270 nan 8.270 nan 0.000 0.440 732 E N 0.749 120.894 120.200 -0.092 0.000 2.106 732 E HA -0.092 4.239 4.350 -0.032 0.000 0.192 732 E C 1.858 178.326 176.600 -0.220 0.000 0.984 732 E CA 1.026 57.350 56.400 -0.127 0.000 0.806 732 E CB -0.164 29.488 29.700 -0.080 0.000 0.750 732 E HN 0.303 nan 8.360 nan 0.000 0.458 733 I N 0.842 121.304 120.570 -0.181 0.000 2.163 733 I HA -0.251 3.900 4.170 -0.032 0.000 0.240 733 I C 1.804 177.742 176.117 -0.298 0.000 1.081 733 I CA 1.357 62.540 61.300 -0.196 0.000 1.353 733 I CB -0.333 37.640 38.000 -0.046 0.000 1.054 733 I HN 0.064 nan 8.210 nan 0.000 0.407 734 D N 0.671 120.861 120.400 -0.350 0.000 2.133 734 D HA -0.235 4.386 4.640 -0.032 0.000 0.195 734 D C 2.188 178.188 176.300 -0.500 0.000 0.997 734 D CA 1.235 54.918 54.000 -0.528 0.000 0.840 734 D CB -0.392 39.770 40.800 -1.064 0.000 0.947 734 D HN 0.272 nan 8.370 nan 0.000 0.452 735 R N 0.378 120.616 120.500 -0.437 0.000 2.083 735 R HA -0.158 4.163 4.340 -0.032 0.000 0.237 735 R C 2.158 178.244 176.300 -0.357 0.000 1.137 735 R CA 1.269 57.224 56.100 -0.242 0.000 0.951 735 R CB 0.063 30.271 30.300 -0.152 0.000 0.851 735 R HN 0.126 nan 8.270 nan 0.000 0.434 736 Q N 0.166 119.632 119.800 -0.556 0.000 2.170 736 Q HA -0.149 4.172 4.340 -0.032 0.000 0.203 736 Q C 1.895 177.419 176.000 -0.794 0.000 0.976 736 Q CA 1.161 56.399 55.803 -0.941 0.000 0.858 736 Q CB -0.037 27.587 28.738 -1.855 0.000 0.907 736 Q HN 0.403 nan 8.270 nan 0.000 0.433 737 E N 0.075 119.994 120.200 -0.467 0.000 2.028 737 E HA -0.097 4.234 4.350 -0.032 0.000 0.191 737 E C 2.264 178.765 176.600 -0.165 0.000 0.988 737 E CA 0.904 57.181 56.400 -0.204 0.000 0.799 737 E CB -0.262 29.380 29.700 -0.096 0.000 0.755 737 E HN 0.141 nan 8.360 nan 0.000 0.447 738 V N 1.719 121.544 119.914 -0.149 0.000 2.332 738 V HA -0.247 3.854 4.120 -0.032 0.000 0.248 738 V C 2.486 178.485 176.094 -0.157 0.000 1.055 738 V CA 1.469 63.717 62.300 -0.087 0.000 1.038 738 V CB -0.512 31.309 31.823 -0.003 0.000 0.651 738 V HN 0.172 nan 8.190 nan 0.000 0.450 739 I N 0.383 120.784 120.570 -0.283 0.000 2.226 739 I HA -0.260 3.890 4.170 -0.032 0.000 0.245 739 I C 2.538 178.302 176.117 -0.589 0.000 1.100 739 I CA 1.798 62.822 61.300 -0.461 0.000 1.374 739 I CB -0.533 37.122 38.000 -0.575 0.000 1.057 739 I HN 0.427 nan 8.210 nan 0.000 0.413 740 N N 0.793 119.239 118.700 -0.423 0.000 2.069 740 N HA -0.291 4.430 4.740 -0.032 0.000 0.191 740 N C 1.941 177.429 175.510 -0.037 0.000 1.031 740 N CA 1.725 54.665 53.050 -0.183 0.000 0.852 740 N CB -0.044 38.455 38.487 0.021 0.000 1.018 740 N HN 0.421 nan 8.380 nan 0.000 0.423 741 E N 0.393 120.573 120.200 -0.033 0.000 2.085 741 E HA -0.215 4.116 4.350 -0.032 0.000 0.194 741 E C 2.249 178.882 176.600 0.054 0.000 0.994 741 E CA 0.901 57.316 56.400 0.024 0.000 0.801 741 E CB -0.112 29.599 29.700 0.019 0.000 0.743 741 E HN 0.308 nan 8.360 nan 0.000 0.453 742 L N 0.421 121.661 121.223 0.027 0.000 1.989 742 L HA -0.192 4.129 4.340 -0.032 0.000 0.211 742 L C 2.119 179.129 176.870 0.234 0.000 1.071 742 L CA 1.801 56.716 54.840 0.125 0.000 0.749 742 L CB -0.739 41.384 42.059 0.108 0.000 0.890 742 L HN 0.128 nan 8.230 nan 0.000 0.431 743 F N -0.543 119.383 119.950 -0.039 0.000 2.095 743 F HA -0.167 4.341 4.527 -0.032 0.000 0.298 743 F C 2.581 178.370 175.800 -0.017 0.000 1.104 743 F CA 1.450 59.410 58.000 -0.066 0.000 1.232 743 F CB -1.491 37.477 39.000 -0.053 0.000 0.987 743 F HN -0.038 nan 8.300 nan 0.000 0.475 744 V N 0.138 120.182 119.914 0.217 0.000 2.358 744 V HA -0.265 3.836 4.120 -0.032 0.000 0.246 744 V C 2.440 178.601 176.094 0.111 0.000 1.047 744 V CA 2.295 64.677 62.300 0.137 0.000 1.035 744 V CB -1.402 30.490 31.823 0.115 0.000 0.658 744 V HN 0.504 nan 8.190 nan 0.000 0.452 745 T N -1.986 112.636 114.554 0.112 0.000 2.995 745 T HA -0.172 4.159 4.350 -0.032 0.000 0.269 745 T C 1.658 176.439 174.700 0.135 0.000 1.091 745 T CA 1.444 63.605 62.100 0.102 0.000 1.128 745 T CB -0.138 68.776 68.868 0.076 0.000 0.891 745 T HN 0.429 nan 8.240 nan 0.000 0.492 746 E N 2.141 122.437 120.200 0.160 0.000 2.028 746 E HA 0.116 4.447 4.350 -0.032 0.000 0.191 746 E C 2.411 179.102 176.600 0.151 0.000 0.988 746 E CA 1.344 57.864 56.400 0.200 0.000 0.799 746 E CB -0.902 28.879 29.700 0.136 0.000 0.755 746 E HN 0.551 nan 8.360 nan 0.000 0.447 747 A N 0.088 122.960 122.820 0.087 0.000 1.908 747 A HA -0.237 4.063 4.320 -0.032 0.000 0.218 747 A C 2.446 180.062 177.584 0.054 0.000 1.181 747 A CA 2.324 54.394 52.037 0.054 0.000 0.627 747 A CB -1.199 17.822 19.000 0.036 0.000 0.818 747 A HN 0.349 nan 8.150 nan 0.000 0.445 748 S N -1.421 114.320 115.700 0.069 0.000 2.382 748 S HA -0.242 4.209 4.470 -0.032 0.000 0.228 748 S C 2.034 176.669 174.600 0.058 0.000 1.027 748 S CA 1.524 59.759 58.200 0.058 0.000 0.991 748 S CB -0.672 62.566 63.200 0.065 0.000 0.823 748 S HN 0.762 nan 8.310 nan 0.000 0.469 749 H N 0.607 119.672 119.070 -0.009 0.000 2.353 749 H HA -0.006 4.531 4.556 -0.032 0.000 0.300 749 H C 2.256 177.538 175.328 -0.077 0.000 1.090 749 H CA 1.606 57.618 56.048 -0.060 0.000 1.327 749 H CB -0.381 29.316 29.762 -0.108 0.000 1.383 749 H HN 0.377 nan 8.280 nan 0.000 0.508 750 L N 0.689 121.825 121.223 -0.145 0.000 2.079 750 L HA -0.196 4.125 4.340 -0.032 0.000 0.210 750 L C 2.933 179.725 176.870 -0.129 0.000 1.081 750 L CA 1.127 55.877 54.840 -0.150 0.000 0.752 750 L CB -0.349 41.707 42.059 -0.005 0.000 0.896 750 L HN 0.301 nan 8.230 nan 0.000 0.433 751 R N -1.072 119.383 120.500 -0.074 0.000 2.091 751 R HA -0.167 4.154 4.340 -0.032 0.000 0.238 751 R C 2.150 178.413 176.300 -0.062 0.000 1.136 751 R CA 2.124 58.198 56.100 -0.045 0.000 0.959 751 R CB -0.241 30.053 30.300 -0.009 0.000 0.856 751 R HN 0.354 nan 8.270 nan 0.000 0.437 752 T N 1.493 115.989 114.554 -0.096 0.000 2.674 752 T HA -0.119 4.212 4.350 -0.032 0.000 0.265 752 T C 1.815 176.447 174.700 -0.113 0.000 1.039 752 T CA 1.254 63.305 62.100 -0.082 0.000 1.150 752 T CB -0.217 68.603 68.868 -0.080 0.000 0.864 752 T HN 0.155 nan 8.240 nan 0.000 0.427 753 L N 0.518 121.586 121.223 -0.258 0.000 2.089 753 L HA -0.183 4.138 4.340 -0.032 0.000 0.213 753 L C 2.829 179.640 176.870 -0.099 0.000 1.079 753 L CA 1.562 56.277 54.840 -0.209 0.000 0.758 753 L CB -0.627 41.248 42.059 -0.306 0.000 0.891 753 L HN 0.217 nan 8.230 nan 0.000 0.433 754 R N -0.727 119.724 120.500 -0.082 0.000 2.189 754 R HA -0.052 4.269 4.340 -0.032 0.000 0.218 754 R C 2.205 178.494 176.300 -0.017 0.000 1.074 754 R CA 0.630 56.706 56.100 -0.040 0.000 0.991 754 R CB -0.187 30.093 30.300 -0.034 0.000 0.883 754 R HN 0.228 nan 8.270 nan 0.000 0.457 755 V N 1.611 121.524 119.914 -0.001 0.000 2.307 755 V HA -0.221 3.880 4.120 -0.032 0.000 0.245 755 V C 2.329 178.515 176.094 0.153 0.000 1.045 755 V CA 1.577 63.901 62.300 0.040 0.000 1.024 755 V CB -0.394 31.471 31.823 0.070 0.000 0.651 755 V HN 0.269 nan 8.190 nan 0.000 0.449 756 L N 0.108 121.425 121.223 0.157 0.000 2.043 756 L HA -0.243 4.078 4.340 -0.032 0.000 0.212 756 L C 2.354 179.259 176.870 0.059 0.000 1.075 756 L CA 2.199 57.151 54.840 0.187 0.000 0.752 756 L CB -0.724 41.402 42.059 0.111 0.000 0.891 756 L HN 0.434 nan 8.230 nan 0.000 0.432 757 D N -0.043 120.358 120.400 0.002 0.000 2.075 757 D HA -0.168 4.453 4.640 -0.032 0.000 0.196 757 D C 2.229 178.564 176.300 0.060 0.000 0.985 757 D CA 1.102 55.117 54.000 0.025 0.000 0.834 757 D CB 0.086 40.893 40.800 0.011 0.000 0.987 757 D HN -0.020 nan 8.370 nan 0.000 0.452 758 L N 0.522 121.753 121.223 0.013 0.000 2.044 758 L HA -0.074 4.247 4.340 -0.032 0.000 0.205 758 L C 2.261 179.087 176.870 -0.073 0.000 1.075 758 L CA 0.981 55.804 54.840 -0.029 0.000 0.747 758 L CB -0.708 41.313 42.059 -0.063 0.000 0.903 758 L HN 0.293 nan 8.230 nan 0.000 0.435 759 I N -1.795 118.697 120.570 -0.129 0.000 2.500 759 I HA -0.180 3.971 4.170 -0.032 0.000 0.252 759 I C 2.215 178.102 176.117 -0.382 0.000 1.142 759 I CA 1.271 62.358 61.300 -0.356 0.000 1.451 759 I CB -0.838 36.830 38.000 -0.554 0.000 1.093 759 I HN 0.081 nan 8.210 nan 0.000 0.430 760 F N -0.555 119.449 119.950 0.091 0.000 2.515 760 F HA 0.024 4.532 4.527 -0.032 0.000 0.267 760 F C 2.505 178.443 175.800 0.231 0.000 0.923 760 F CA 0.231 58.386 58.000 0.257 0.000 1.107 760 F CB -1.211 37.977 39.000 0.313 0.000 1.175 760 F HN -0.203 nan 8.300 nan 0.000 0.742 761 Y N 1.550 121.890 120.300 0.068 0.000 2.097 761 Y HA -0.261 4.270 4.550 -0.032 0.000 0.282 761 Y C 2.484 178.385 175.900 0.001 0.000 1.152 761 Y CA 1.898 59.913 58.100 -0.142 0.000 1.136 761 Y CB -0.583 37.443 38.460 -0.723 0.000 0.975 761 Y HN 0.042 nan 8.280 nan 0.000 0.498 762 Q N 0.408 120.100 119.800 -0.179 0.000 2.170 762 Q HA -0.178 4.143 4.340 -0.032 0.000 0.203 762 Q C 2.355 178.260 176.000 -0.159 0.000 0.976 762 Q CA 1.706 57.367 55.803 -0.236 0.000 0.858 762 Q CB -0.368 28.331 28.738 -0.063 0.000 0.907 762 Q HN 0.585 nan 8.270 nan 0.000 0.433 763 R N -0.251 120.224 120.500 -0.041 0.000 2.073 763 R HA 0.079 4.400 4.340 -0.032 0.000 0.229 763 R C 2.384 178.613 176.300 -0.117 0.000 1.120 763 R CA 0.887 56.989 56.100 0.004 0.000 0.967 763 R CB -0.170 30.254 30.300 0.206 0.000 0.862 763 R HN 0.246 nan 8.270 nan 0.000 0.436 764 M N 0.461 119.996 119.600 -0.109 0.000 2.213 764 M HA -0.187 4.274 4.480 -0.032 0.000 0.263 764 M C 2.274 178.486 176.300 -0.148 0.000 1.062 764 M CA 1.582 56.783 55.300 -0.164 0.000 1.105 764 M CB -0.106 32.548 32.600 0.090 0.000 1.385 764 M HN 0.034 nan 8.290 nan 0.000 0.417 765 K N 0.466 120.736 120.400 -0.217 0.000 1.995 765 K HA -0.110 4.191 4.320 -0.032 0.000 0.207 765 K C 2.141 178.655 176.600 -0.144 0.000 1.041 765 K CA 1.017 57.169 56.287 -0.225 0.000 0.942 765 K CB 0.015 32.261 32.500 -0.424 0.000 0.731 765 K HN -0.032 nan 8.250 nan 0.000 0.439 766 K N 0.910 121.229 120.400 -0.135 0.000 2.147 766 K HA -0.128 4.173 4.320 -0.032 0.000 0.205 766 K C 1.241 177.800 176.600 -0.069 0.000 1.049 766 K CA 1.485 57.721 56.287 -0.084 0.000 0.936 766 K CB 0.135 32.595 32.500 -0.066 0.000 0.722 766 K HN 0.333 nan 8.250 nan 0.000 0.446 767 E N 0.459 120.606 120.200 -0.088 0.000 2.463 767 E HA 0.049 4.380 4.350 -0.032 0.000 0.193 767 E C -0.529 176.020 176.600 -0.085 0.000 1.041 767 E CA -0.235 56.118 56.400 -0.079 0.000 0.879 767 E CB 0.178 29.825 29.700 -0.087 0.000 0.997 767 E HN 0.214 nan 8.360 nan 0.000 0.478 768 N N 0.744 119.393 118.700 -0.085 0.000 2.725 768 N HA -0.219 4.502 4.740 -0.032 0.000 0.251 768 N C 0.399 175.869 175.510 -0.068 0.000 1.031 768 N CA 0.408 53.418 53.050 -0.066 0.000 0.720 768 N CB -1.273 37.189 38.487 -0.042 0.000 0.930 768 N HN 0.273 nan 8.380 nan 0.000 0.543 769 L N -1.049 120.113 121.223 -0.101 0.000 2.395 769 L HA 0.101 4.422 4.340 -0.032 0.000 0.218 769 L C 1.424 178.267 176.870 -0.044 0.000 1.130 769 L CA 0.977 55.778 54.840 -0.065 0.000 0.826 769 L CB 0.003 41.946 42.059 -0.194 0.000 0.941 769 L HN 0.449 nan 8.230 nan 0.000 0.451 770 M N -3.565 115.995 119.600 -0.066 0.000 2.644 770 M HA 0.578 5.039 4.480 -0.032 0.000 0.273 770 M C -2.813 173.454 176.300 -0.054 0.000 1.253 770 M CA -1.914 53.325 55.300 -0.102 0.000 0.852 770 M CB 1.399 33.901 32.600 -0.163 0.000 1.708 770 M HN -0.407 nan 8.290 nan 0.000 0.471 771 P HA 0.215 nan 4.420 nan 0.000 0.269 771 P C 0.002 177.297 177.300 -0.007 0.000 1.209 771 P CA -0.361 62.722 63.100 -0.028 0.000 0.776 771 P CB 0.484 32.166 31.700 -0.030 0.000 0.876 772 R N 2.061 122.564 120.500 0.004 0.000 2.117 772 R HA -0.173 4.148 4.340 -0.032 0.000 0.243 772 R C 1.590 177.912 176.300 0.038 0.000 1.143 772 R CA 1.704 57.822 56.100 0.030 0.000 0.968 772 R CB -0.817 29.498 30.300 0.026 0.000 0.863 772 R HN 0.588 nan 8.270 nan 0.000 0.444 773 E N 0.263 120.470 120.200 0.011 0.000 2.106 773 E HA -0.125 4.206 4.350 -0.032 0.000 0.192 773 E C 1.866 178.459 176.600 -0.011 0.000 0.984 773 E CA 1.108 57.507 56.400 -0.003 0.000 0.806 773 E CB -0.040 29.650 29.700 -0.016 0.000 0.750 773 E HN 0.493 nan 8.360 nan 0.000 0.458 774 E N 0.085 120.280 120.200 -0.009 0.000 2.107 774 E HA -0.124 4.206 4.350 -0.032 0.000 0.191 774 E C 1.919 178.528 176.600 0.015 0.000 0.982 774 E CA 0.432 56.824 56.400 -0.014 0.000 0.809 774 E CB -0.053 29.623 29.700 -0.040 0.000 0.756 774 E HN 0.100 nan 8.360 nan 0.000 0.459 775 L N 1.302 122.563 121.223 0.062 0.000 2.046 775 L HA -0.096 4.225 4.340 -0.032 0.000 0.208 775 L C 2.268 179.259 176.870 0.202 0.000 1.077 775 L CA 1.862 56.804 54.840 0.170 0.000 0.747 775 L CB -0.646 41.545 42.059 0.219 0.000 0.896 775 L HN 0.036 nan 8.230 nan 0.000 0.432 776 A N -0.677 122.229 122.820 0.142 0.000 2.024 776 A HA -0.215 4.086 4.320 -0.032 0.000 0.220 776 A C 2.387 179.982 177.584 0.018 0.000 1.164 776 A CA 1.721 53.824 52.037 0.109 0.000 0.643 776 A CB -0.522 18.517 19.000 0.065 0.000 0.806 776 A HN 0.520 nan 8.150 nan 0.000 0.451 777 R N -1.019 119.457 120.500 -0.039 0.000 2.119 777 R HA 0.148 4.469 4.340 -0.032 0.000 0.222 777 R C 2.067 178.323 176.300 -0.073 0.000 1.088 777 R CA 0.796 56.828 56.100 -0.114 0.000 0.984 777 R CB -0.346 29.831 30.300 -0.205 0.000 0.884 777 R HN 0.507 nan 8.270 nan 0.000 0.447 778 L N -0.039 121.109 121.223 -0.124 0.000 2.027 778 L HA -0.044 4.277 4.340 -0.032 0.000 0.206 778 L C 0.049 176.534 176.870 -0.641 0.000 1.074 778 L CA 1.377 55.979 54.840 -0.397 0.000 0.745 778 L CB 0.232 42.013 42.059 -0.464 0.000 0.898 778 L HN 0.080 nan 8.230 nan 0.000 0.433 779 F N -0.561 119.359 119.950 -0.050 0.000 2.531 779 F HA 0.329 4.837 4.527 -0.031 0.000 0.333 779 F C -1.693 174.080 175.800 -0.046 0.000 1.292 779 F CA -2.134 55.814 58.000 -0.086 0.000 1.184 779 F CB 0.096 39.029 39.000 -0.111 0.000 1.426 779 F HN -0.101 nan 8.300 nan 0.000 0.559 780 P HA -0.127 nan 4.420 nan 0.000 0.216 780 P C 0.205 177.581 177.300 0.127 0.000 1.150 780 P CA 1.533 64.690 63.100 0.095 0.000 0.837 780 P CB 0.233 31.969 31.700 0.060 0.000 0.786 781 N N -2.585 116.235 118.700 0.201 0.000 2.604 781 N HA 0.054 4.775 4.740 -0.032 0.000 0.284 781 N C 0.517 176.087 175.510 0.101 0.000 1.716 781 N CA -0.285 52.844 53.050 0.132 0.000 0.859 781 N CB -0.902 37.667 38.487 0.137 0.000 1.403 781 N HN -0.113 nan 8.380 nan 0.000 0.501 782 L N 0.999 122.245 121.223 0.039 0.000 2.046 782 L HA 0.161 4.482 4.340 -0.032 0.000 0.208 782 L C -0.905 175.912 176.870 -0.088 0.000 1.077 782 L CA 2.127 56.935 54.840 -0.053 0.000 0.747 782 L CB -0.992 40.913 42.059 -0.257 0.000 0.896 782 L HN 0.083 nan 8.230 nan 0.000 0.432 783 P HA -0.148 nan 4.420 nan 0.000 0.215 783 P C 1.267 178.561 177.300 -0.010 0.000 1.153 783 P CA 1.367 64.454 63.100 -0.022 0.000 0.853 783 P CB 0.077 31.785 31.700 0.013 0.000 0.788 784 E N -0.701 119.497 120.200 -0.003 0.000 2.051 784 E HA -0.143 4.188 4.350 -0.032 0.000 0.192 784 E C 1.930 178.522 176.600 -0.014 0.000 0.991 784 E CA 0.724 57.121 56.400 -0.004 0.000 0.799 784 E CB -1.288 28.416 29.700 0.007 0.000 0.748 784 E HN 0.068 nan 8.360 nan 0.000 0.449 785 L N 0.655 121.864 121.223 -0.024 0.000 1.989 785 L HA -0.181 4.140 4.340 -0.032 0.000 0.211 785 L C 2.042 178.944 176.870 0.054 0.000 1.071 785 L CA 1.600 56.424 54.840 -0.026 0.000 0.749 785 L CB -0.382 41.563 42.059 -0.190 0.000 0.890 785 L HN 0.184 nan 8.230 nan 0.000 0.431 786 I N -0.721 119.851 120.570 0.003 0.000 2.118 786 I HA -0.327 3.823 4.170 -0.032 0.000 0.241 786 I C 2.521 178.677 176.117 0.064 0.000 1.070 786 I CA 1.610 62.929 61.300 0.031 0.000 1.327 786 I CB -0.407 37.586 38.000 -0.012 0.000 1.034 786 I HN 0.350 nan 8.210 nan 0.000 0.405 787 E N 1.371 121.587 120.200 0.027 0.000 2.077 787 E HA -0.198 4.133 4.350 -0.032 0.000 0.193 787 E C 2.009 178.612 176.600 0.005 0.000 0.989 787 E CA 1.430 57.840 56.400 0.017 0.000 0.800 787 E CB -0.355 29.345 29.700 -0.001 0.000 0.746 787 E HN 0.458 nan 8.360 nan 0.000 0.452 788 I N 0.288 120.836 120.570 -0.037 0.000 2.208 788 I HA -0.307 3.843 4.170 -0.032 0.000 0.245 788 I C 2.259 178.296 176.117 -0.134 0.000 1.097 788 I CA 1.446 62.662 61.300 -0.140 0.000 1.363 788 I CB -0.206 37.651 38.000 -0.238 0.000 1.051 788 I HN 0.270 nan 8.210 nan 0.000 0.413 789 H N -1.019 118.110 119.070 0.099 0.000 2.448 789 H HA -0.035 4.502 4.556 -0.032 0.000 0.292 789 H C 1.903 177.330 175.328 0.165 0.000 1.035 789 H CA 1.207 57.381 56.048 0.210 0.000 1.349 789 H CB -0.294 29.624 29.762 0.260 0.000 1.425 789 H HN 0.322 nan 8.280 nan 0.000 0.539 790 N N 1.192 120.006 118.700 0.190 0.000 2.120 790 N HA -0.156 4.565 4.740 -0.032 0.000 0.188 790 N C 2.059 177.617 175.510 0.080 0.000 1.024 790 N CA 1.953 55.067 53.050 0.106 0.000 0.852 790 N CB 0.023 38.546 38.487 0.059 0.000 1.003 790 N HN 0.240 nan 8.380 nan 0.000 0.424 791 S N -1.691 114.055 115.700 0.077 0.000 2.395 791 S HA -0.085 4.366 4.470 -0.032 0.000 0.225 791 S C 1.877 176.538 174.600 0.103 0.000 1.027 791 S CA 0.427 58.659 58.200 0.054 0.000 0.965 791 S CB -0.928 62.286 63.200 0.023 0.000 0.812 791 S HN 0.518 nan 8.310 nan 0.000 0.482 792 W N 1.748 122.987 121.300 -0.101 0.000 2.363 792 W HA 0.019 4.660 4.660 -0.032 0.000 0.296 792 W C 2.570 179.019 176.519 -0.116 0.000 1.212 792 W CA -0.353 56.913 57.345 -0.131 0.000 1.260 792 W CB -1.114 28.247 29.460 -0.164 0.000 1.131 792 W HN 0.362 nan 8.180 nan 0.000 0.530 793 C N 0.430 119.728 119.300 -0.003 0.000 2.429 793 C HA -0.175 4.266 4.460 -0.032 0.000 0.277 793 C C 2.699 177.581 174.990 -0.179 0.000 1.262 793 C CA 1.489 60.420 59.018 -0.145 0.000 1.733 793 C CB -1.060 26.668 27.740 -0.020 0.000 2.010 793 C HN 0.247 nan 8.230 nan 0.000 0.483 794 E N 0.396 120.542 120.200 -0.091 0.000 2.106 794 E HA -0.114 4.217 4.350 -0.032 0.000 0.192 794 E C 2.301 178.826 176.600 -0.125 0.000 0.984 794 E CA 1.364 57.711 56.400 -0.089 0.000 0.806 794 E CB -0.490 29.186 29.700 -0.041 0.000 0.750 794 E HN 0.706 nan 8.360 nan 0.000 0.458 795 A N 0.850 123.592 122.820 -0.129 0.000 1.898 795 A HA -0.131 4.169 4.320 -0.032 0.000 0.216 795 A C 2.286 179.712 177.584 -0.264 0.000 1.181 795 A CA 1.282 53.237 52.037 -0.136 0.000 0.620 795 A CB -0.459 18.510 19.000 -0.053 0.000 0.819 795 A HN 0.148 nan 8.150 nan 0.000 0.442 796 M N -0.674 118.638 119.600 -0.480 0.000 2.073 796 M HA -0.223 4.238 4.480 -0.032 0.000 0.258 796 M C 2.294 178.225 176.300 -0.616 0.000 1.070 796 M CA 1.956 56.747 55.300 -0.848 0.000 1.103 796 M CB -0.315 31.562 32.600 -1.205 0.000 1.321 796 M HN 0.327 nan 8.290 nan 0.000 0.405 797 K N -0.027 120.144 120.400 -0.382 0.000 2.063 797 K HA -0.190 4.111 4.320 -0.032 0.000 0.208 797 K C 2.093 178.616 176.600 -0.128 0.000 1.048 797 K CA 1.274 57.437 56.287 -0.207 0.000 0.928 797 K CB -0.101 32.319 32.500 -0.134 0.000 0.713 797 K HN 0.219 nan 8.250 nan 0.000 0.442 798 K N 0.707 121.035 120.400 -0.121 0.000 2.057 798 K HA -0.133 4.168 4.320 -0.032 0.000 0.206 798 K C 2.167 178.741 176.600 -0.043 0.000 1.050 798 K CA 0.720 56.968 56.287 -0.066 0.000 0.935 798 K CB -0.223 32.242 32.500 -0.058 0.000 0.715 798 K HN 0.050 nan 8.250 nan 0.000 0.439 799 L N 1.091 122.276 121.223 -0.063 0.000 2.083 799 L HA -0.141 4.180 4.340 -0.032 0.000 0.209 799 L C 2.437 179.344 176.870 0.062 0.000 1.083 799 L CA 1.498 56.341 54.840 0.005 0.000 0.752 799 L CB -0.267 41.806 42.059 0.024 0.000 0.899 799 L HN 0.040 nan 8.230 nan 0.000 0.433 800 R N -0.792 119.741 120.500 0.055 0.000 2.115 800 R HA -0.182 4.139 4.340 -0.032 0.000 0.230 800 R C 2.212 178.558 176.300 0.076 0.000 1.111 800 R CA 1.283 57.456 56.100 0.121 0.000 0.976 800 R CB -0.104 30.264 30.300 0.115 0.000 0.870 800 R HN 0.428 nan 8.270 nan 0.000 0.445 801 E N 0.774 120.994 120.200 0.033 0.000 2.204 801 E HA -0.182 4.149 4.350 -0.032 0.000 0.195 801 E C -0.076 176.542 176.600 0.030 0.000 0.990 801 E CA 1.163 57.577 56.400 0.023 0.000 0.821 801 E CB 0.184 29.886 29.700 0.004 0.000 0.750 801 E HN 0.486 nan 8.360 nan 0.000 0.477 802 E N -0.035 120.187 120.200 0.036 0.000 2.354 802 E HA 0.332 4.663 4.350 -0.032 0.000 0.260 802 E C 0.048 176.678 176.600 0.051 0.000 1.405 802 E CA 0.002 56.423 56.400 0.036 0.000 1.728 802 E CB 0.406 30.124 29.700 0.031 0.000 1.471 802 E HN 0.217 nan 8.360 nan 0.000 0.441 803 G N 2.687 111.522 108.800 0.057 0.000 2.697 803 G HA2 -0.171 3.770 3.960 -0.032 0.000 0.686 803 G HA3 -0.171 3.770 3.960 -0.032 0.000 0.686 803 G C -2.033 172.936 174.900 0.114 0.000 1.179 803 G CA -0.569 44.573 45.100 0.071 0.000 0.765 803 G HN 0.116 nan 8.290 nan 0.000 0.649 804 P HA 0.009 nan 4.420 nan 0.000 0.219 804 P C 1.076 178.610 177.300 0.389 0.000 1.150 804 P CA 0.877 64.113 63.100 0.227 0.000 0.814 804 P CB 0.162 31.927 31.700 0.108 0.000 0.787 805 I N 0.736 121.486 120.570 0.299 0.000 2.347 805 I HA 0.096 4.247 4.170 -0.032 0.000 0.294 805 I C 0.660 176.832 176.117 0.091 0.000 1.090 805 I CA -0.782 60.656 61.300 0.229 0.000 1.314 805 I CB 0.005 38.116 38.000 0.184 0.000 1.423 805 I HN -0.238 nan 8.210 nan 0.000 0.503 806 I N 8.410 128.989 120.570 0.014 0.000 2.529 806 I HA 0.064 4.215 4.170 -0.032 0.000 0.284 806 I C 1.122 177.221 176.117 -0.029 0.000 1.082 806 I CA 0.466 61.767 61.300 0.002 0.000 1.406 806 I CB 0.363 38.337 38.000 -0.043 0.000 1.405 806 I HN 0.564 nan 8.210 nan 0.000 0.548 807 K N 4.225 124.628 120.400 0.005 0.000 4.047 807 K HA 0.291 4.592 4.320 -0.032 0.000 0.172 807 K C -0.195 176.404 176.600 -0.001 0.000 1.146 807 K CA -0.521 55.765 56.287 -0.001 0.000 1.760 807 K CB -0.206 32.303 32.500 0.014 0.000 2.442 807 K HN 0.288 nan 8.250 nan 0.000 0.539 808 E N 1.157 121.365 120.200 0.013 0.000 2.366 808 E HA 0.046 4.377 4.350 -0.032 0.000 0.266 808 E C 0.288 176.906 176.600 0.030 0.000 1.015 808 E CA 0.192 56.603 56.400 0.018 0.000 0.906 808 E CB 0.638 30.351 29.700 0.022 0.000 0.979 808 E HN 0.346 nan 8.360 nan 0.000 0.443 809 I N 2.138 122.726 120.570 0.030 0.000 4.139 809 I HA -0.098 4.053 4.170 -0.032 0.000 0.335 809 I C 1.555 177.715 176.117 0.071 0.000 1.327 809 I CA 0.317 61.651 61.300 0.057 0.000 1.112 809 I CB 0.211 38.235 38.000 0.040 0.000 1.058 809 I HN 0.565 nan 8.210 nan 0.000 0.396 810 S N 0.317 116.048 115.700 0.052 0.000 2.370 810 S HA -0.236 4.215 4.470 -0.032 0.000 0.226 810 S C 1.521 176.157 174.600 0.060 0.000 1.033 810 S CA 1.697 59.929 58.200 0.054 0.000 1.011 810 S CB -0.439 62.782 63.200 0.034 0.000 0.852 810 S HN 0.404 nan 8.310 nan 0.000 0.457 811 D N 1.407 121.837 120.400 0.049 0.000 2.144 811 D HA -0.000 4.621 4.640 -0.032 0.000 0.199 811 D C 1.872 178.205 176.300 0.054 0.000 0.984 811 D CA 0.896 54.919 54.000 0.040 0.000 0.834 811 D CB -0.504 40.314 40.800 0.029 0.000 0.955 811 D HN 0.414 nan 8.370 nan 0.000 0.465 812 L N 0.249 121.525 121.223 0.088 0.000 2.056 812 L HA -0.144 4.177 4.340 -0.032 0.000 0.207 812 L C 2.087 179.099 176.870 0.237 0.000 1.078 812 L CA 1.296 56.225 54.840 0.148 0.000 0.749 812 L CB -0.255 41.877 42.059 0.121 0.000 0.901 812 L HN -0.108 nan 8.230 nan 0.000 0.433 813 M N -0.765 118.957 119.600 0.204 0.000 2.086 813 M HA -0.204 4.257 4.480 -0.032 0.000 0.261 813 M C 2.392 178.697 176.300 0.009 0.000 1.067 813 M CA 1.816 57.234 55.300 0.197 0.000 1.116 813 M CB -1.415 31.340 32.600 0.258 0.000 1.348 813 M HN 0.285 nan 8.290 nan 0.000 0.407 814 L N -0.133 121.107 121.223 0.029 0.000 2.131 814 L HA -0.146 4.175 4.340 -0.032 0.000 0.210 814 L C 2.501 179.306 176.870 -0.107 0.000 1.092 814 L CA 0.979 55.809 54.840 -0.018 0.000 0.759 814 L CB -0.890 41.171 42.059 0.003 0.000 0.903 814 L HN 0.283 nan 8.230 nan 0.000 0.435 815 A N -0.811 121.945 122.820 -0.108 0.000 2.216 815 A HA -0.137 4.164 4.320 -0.032 0.000 0.214 815 A C 2.321 179.699 177.584 -0.344 0.000 1.160 815 A CA 1.086 53.035 52.037 -0.148 0.000 0.725 815 A CB -0.255 18.713 19.000 -0.052 0.000 0.784 815 A HN 0.211 nan 8.150 nan 0.000 0.472 816 R N -2.028 118.087 120.500 -0.643 0.000 2.257 816 R HA 0.263 4.584 4.340 -0.032 0.000 0.195 816 R C 0.048 175.810 176.300 -0.897 0.000 0.921 816 R CA 0.537 55.943 56.100 -1.157 0.000 1.069 816 R CB -0.203 28.587 30.300 -2.517 0.000 1.115 816 R HN 0.401 nan 8.270 nan 0.000 0.571 817 F N -0.200 119.518 119.950 -0.386 0.000 2.661 817 F HA 0.384 4.892 4.527 -0.032 0.000 0.306 817 F C -0.180 175.503 175.800 -0.195 0.000 1.094 817 F CA -1.169 56.650 58.000 -0.302 0.000 1.254 817 F CB 0.357 39.193 39.000 -0.274 0.000 1.040 817 F HN -0.176 nan 8.300 nan 0.000 0.562 818 D N -1.241 119.134 120.400 -0.043 0.000 2.601 818 D HA 0.529 5.150 4.640 -0.032 0.000 0.230 818 D C 0.638 176.897 176.300 -0.068 0.000 1.106 818 D CA 0.724 54.700 54.000 -0.038 0.000 0.873 818 D CB 1.920 42.707 40.800 -0.022 0.000 1.515 818 D HN 0.232 nan 8.370 nan 0.000 0.468 819 G N 2.539 111.306 108.800 -0.055 0.000 2.596 819 G HA2 -0.283 3.658 3.960 -0.032 0.000 0.295 819 G HA3 -0.283 3.658 3.960 -0.032 0.000 0.295 819 G C -1.462 173.393 174.900 -0.075 0.000 1.240 819 G CA 0.327 45.393 45.100 -0.057 0.000 0.985 819 G HN 0.547 nan 8.290 nan 0.000 0.555 820 P HA 0.036 nan 4.420 nan 0.000 0.215 820 P C 2.309 179.542 177.300 -0.111 0.000 1.153 820 P CA 3.140 66.190 63.100 -0.083 0.000 0.853 820 P CB -0.434 31.224 31.700 -0.070 0.000 0.788 821 A N 0.451 123.192 122.820 -0.132 0.000 1.917 821 A HA -0.283 4.017 4.320 -0.032 0.000 0.219 821 A C 2.412 179.882 177.584 -0.190 0.000 1.182 821 A CA 2.519 54.444 52.037 -0.187 0.000 0.633 821 A CB -1.251 17.601 19.000 -0.248 0.000 0.819 821 A HN 0.175 nan 8.150 nan 0.000 0.448 822 R N -0.270 120.142 120.500 -0.146 0.000 2.075 822 R HA -0.119 4.202 4.340 -0.032 0.000 0.232 822 R C 1.809 178.009 176.300 -0.167 0.000 1.126 822 R CA 1.785 57.811 56.100 -0.124 0.000 0.963 822 R CB -0.402 29.849 30.300 -0.081 0.000 0.858 822 R HN 0.447 nan 8.270 nan 0.000 0.435 823 E N 1.076 121.180 120.200 -0.160 0.000 2.038 823 E HA -0.274 4.056 4.350 -0.032 0.000 0.195 823 E C 1.830 178.321 176.600 -0.183 0.000 1.000 823 E CA 1.818 58.104 56.400 -0.189 0.000 0.803 823 E CB -0.377 29.246 29.700 -0.129 0.000 0.750 823 E HN 0.682 nan 8.360 nan 0.000 0.448 824 E N 0.729 120.845 120.200 -0.140 0.000 2.038 824 E HA -0.210 4.121 4.350 -0.032 0.000 0.195 824 E C 2.262 178.789 176.600 -0.123 0.000 1.000 824 E CA 1.032 57.362 56.400 -0.117 0.000 0.803 824 E CB -0.134 29.499 29.700 -0.111 0.000 0.750 824 E HN 0.110 nan 8.360 nan 0.000 0.448 825 L N 1.688 122.821 121.223 -0.150 0.000 1.994 825 L HA -0.249 4.072 4.340 -0.032 0.000 0.208 825 L C 2.679 179.497 176.870 -0.086 0.000 1.071 825 L CA 2.538 57.299 54.840 -0.131 0.000 0.745 825 L CB -0.909 41.057 42.059 -0.154 0.000 0.892 825 L HN 0.352 nan 8.230 nan 0.000 0.431 826 Q N -1.420 118.289 119.800 -0.153 0.000 2.170 826 Q HA -0.251 4.069 4.340 -0.032 0.000 0.203 826 Q C 2.017 177.964 176.000 -0.089 0.000 0.976 826 Q CA 1.749 57.447 55.803 -0.174 0.000 0.858 826 Q CB -0.555 27.901 28.738 -0.470 0.000 0.907 826 Q HN 0.685 nan 8.270 nan 0.000 0.433 827 Q N 0.558 120.282 119.800 -0.126 0.000 2.016 827 Q HA -0.090 4.231 4.340 -0.032 0.000 0.200 827 Q C 2.349 178.412 176.000 0.104 0.000 0.978 827 Q CA 1.683 57.513 55.803 0.046 0.000 0.833 827 Q CB 0.053 28.789 28.738 -0.003 0.000 0.895 827 Q HN 0.263 nan 8.270 nan 0.000 0.427 828 V N 1.043 120.989 119.914 0.054 0.000 2.255 828 V HA -0.313 3.788 4.120 -0.032 0.000 0.247 828 V C 2.274 178.456 176.094 0.147 0.000 1.051 828 V CA 2.006 64.355 62.300 0.082 0.000 1.018 828 V CB -1.010 30.829 31.823 0.026 0.000 0.641 828 V HN 0.427 nan 8.190 nan 0.000 0.445 829 A N -0.248 122.651 122.820 0.131 0.000 1.933 829 A HA -0.109 4.192 4.320 -0.032 0.000 0.218 829 A C 2.406 180.132 177.584 0.237 0.000 1.175 829 A CA 2.098 54.246 52.037 0.185 0.000 0.628 829 A CB -0.754 18.338 19.000 0.154 0.000 0.814 829 A HN 0.590 nan 8.150 nan 0.000 0.444 830 A N -1.083 121.871 122.820 0.224 0.000 1.902 830 A HA -0.216 4.085 4.320 -0.032 0.000 0.217 830 A C 2.196 179.886 177.584 0.176 0.000 1.181 830 A CA 1.712 53.880 52.037 0.217 0.000 0.623 830 A CB -0.539 18.646 19.000 0.308 0.000 0.818 830 A HN 0.618 nan 8.150 nan 0.000 0.443 831 Q N -1.985 117.923 119.800 0.181 0.000 2.119 831 Q HA -0.143 4.178 4.340 -0.032 0.000 0.201 831 Q C 1.848 177.948 176.000 0.168 0.000 0.972 831 Q CA 1.385 57.273 55.803 0.143 0.000 0.847 831 Q CB -0.177 28.634 28.738 0.123 0.000 0.903 831 Q HN 0.674 nan 8.270 nan 0.000 0.433 832 F N -0.244 119.751 119.950 0.075 0.000 2.171 832 F HA -0.240 4.268 4.527 -0.031 0.000 0.300 832 F C 2.006 177.847 175.800 0.068 0.000 1.090 832 F CA 1.283 59.329 58.000 0.077 0.000 1.293 832 F CB -0.043 39.015 39.000 0.098 0.000 1.013 832 F HN 0.159 nan 8.300 nan 0.000 0.486 833 C N -0.913 118.497 119.300 0.184 0.000 2.611 833 C HA 0.051 4.492 4.460 -0.032 0.000 0.282 833 C C 2.929 177.933 174.990 0.023 0.000 1.321 833 C CA 0.751 59.825 59.018 0.093 0.000 1.747 833 C CB -1.097 26.737 27.740 0.156 0.000 2.124 833 C HN 0.593 nan 8.230 nan 0.000 0.531 834 S N -0.339 115.390 115.700 0.048 0.000 2.453 834 S HA -0.140 4.311 4.470 -0.032 0.000 0.231 834 S C 1.432 176.055 174.600 0.038 0.000 1.005 834 S CA 0.967 59.187 58.200 0.035 0.000 0.949 834 S CB -0.589 62.638 63.200 0.044 0.000 0.774 834 S HN 0.692 nan 8.310 nan 0.000 0.510 835 Y N 1.084 121.316 120.300 -0.113 0.000 2.449 835 Y HA 0.385 4.915 4.550 -0.032 0.000 0.254 835 Y C 2.287 178.076 175.900 -0.184 0.000 1.140 835 Y CA -0.375 57.634 58.100 -0.151 0.000 1.272 835 Y CB -0.092 38.280 38.460 -0.146 0.000 1.114 835 Y HN 0.254 nan 8.280 nan 0.000 0.525 836 Q N 0.114 119.817 119.800 -0.162 0.000 2.096 836 Q HA -0.254 4.067 4.340 -0.032 0.000 0.208 836 Q C 2.413 178.250 176.000 -0.272 0.000 0.993 836 Q CA 2.722 58.386 55.803 -0.233 0.000 0.862 836 Q CB -0.103 28.518 28.738 -0.196 0.000 0.915 836 Q HN 0.588 nan 8.270 nan 0.000 0.416 837 S N -0.196 115.352 115.700 -0.253 0.000 2.382 837 S HA -0.138 4.313 4.470 -0.032 0.000 0.228 837 S C 1.867 176.281 174.600 -0.311 0.000 1.027 837 S CA 1.095 59.159 58.200 -0.226 0.000 0.991 837 S CB -0.360 62.740 63.200 -0.167 0.000 0.823 837 S HN 0.351 nan 8.310 nan 0.000 0.469 838 I N 2.847 123.101 120.570 -0.526 0.000 2.233 838 I HA 0.010 4.161 4.170 -0.032 0.000 0.243 838 I C 3.108 178.899 176.117 -0.542 0.000 1.093 838 I CA 1.170 62.065 61.300 -0.675 0.000 1.380 838 I CB -2.063 35.190 38.000 -1.246 0.000 1.067 838 I HN 0.428 nan 8.210 nan 0.000 0.413 839 A N 1.173 123.658 122.820 -0.560 0.000 1.933 839 A HA -0.145 4.155 4.320 -0.032 0.000 0.218 839 A C 2.432 179.907 177.584 -0.182 0.000 1.175 839 A CA 1.282 53.181 52.037 -0.230 0.000 0.628 839 A CB -0.835 18.104 19.000 -0.103 0.000 0.814 839 A HN 0.389 nan 8.150 nan 0.000 0.444 840 L N -0.976 120.126 121.223 -0.200 0.000 2.046 840 L HA -0.188 4.133 4.340 -0.032 0.000 0.208 840 L C 2.665 179.480 176.870 -0.091 0.000 1.077 840 L CA 1.685 56.445 54.840 -0.132 0.000 0.747 840 L CB -0.421 41.561 42.059 -0.128 0.000 0.896 840 L HN 0.436 nan 8.230 nan 0.000 0.432 841 E N 0.644 120.773 120.200 -0.117 0.000 2.110 841 E HA -0.197 4.134 4.350 -0.032 0.000 0.193 841 E C 2.134 178.702 176.600 -0.054 0.000 0.988 841 E CA 1.319 57.673 56.400 -0.077 0.000 0.804 841 E CB -0.211 29.436 29.700 -0.089 0.000 0.745 841 E HN 0.396 nan 8.360 nan 0.000 0.458 842 L N -0.355 120.823 121.223 -0.076 0.000 2.109 842 L HA -0.117 4.204 4.340 -0.032 0.000 0.207 842 L C 2.154 179.003 176.870 -0.035 0.000 1.086 842 L CA 0.321 55.129 54.840 -0.054 0.000 0.760 842 L CB -0.361 41.662 42.059 -0.059 0.000 0.910 842 L HN 0.195 nan 8.230 nan 0.000 0.437 843 I N 0.319 120.882 120.570 -0.011 0.000 2.286 843 I HA -0.286 3.865 4.170 -0.032 0.000 0.248 843 I C 2.540 178.751 176.117 0.156 0.000 1.115 843 I CA 1.435 62.793 61.300 0.096 0.000 1.392 843 I CB -0.560 37.521 38.000 0.135 0.000 1.065 843 I HN 0.156 nan 8.210 nan 0.000 0.418 844 K N -0.529 119.919 120.400 0.080 0.000 2.057 844 K HA -0.155 4.146 4.320 -0.032 0.000 0.206 844 K C 2.070 178.717 176.600 0.078 0.000 1.050 844 K CA 1.813 58.148 56.287 0.080 0.000 0.935 844 K CB -0.127 32.395 32.500 0.036 0.000 0.715 844 K HN 0.271 nan 8.250 nan 0.000 0.439 845 T N 0.991 115.571 114.554 0.043 0.000 2.708 845 T HA -0.158 4.173 4.350 -0.032 0.000 0.266 845 T C 1.734 176.459 174.700 0.042 0.000 1.037 845 T CA 1.353 63.471 62.100 0.031 0.000 1.146 845 T CB -0.080 68.791 68.868 0.005 0.000 0.865 845 T HN 0.263 nan 8.240 nan 0.000 0.435 846 K N 0.685 121.097 120.400 0.019 0.000 2.103 846 K HA -0.152 4.149 4.320 -0.032 0.000 0.207 846 K C 2.396 179.106 176.600 0.183 0.000 1.048 846 K CA 1.365 57.643 56.287 -0.015 0.000 0.930 846 K CB -0.081 32.244 32.500 -0.293 0.000 0.716 846 K HN 0.415 nan 8.250 nan 0.000 0.444 847 Q N -0.301 119.690 119.800 0.318 0.000 2.170 847 Q HA -0.170 4.151 4.340 -0.032 0.000 0.203 847 Q C 2.084 178.193 176.000 0.182 0.000 0.976 847 Q CA 1.392 57.399 55.803 0.340 0.000 0.858 847 Q CB -0.045 28.848 28.738 0.258 0.000 0.907 847 Q HN 0.275 nan 8.270 nan 0.000 0.433 848 R N 0.641 121.217 120.500 0.126 0.000 2.153 848 R HA -0.032 4.289 4.340 -0.032 0.000 0.218 848 R C 1.521 177.865 176.300 0.073 0.000 1.072 848 R CA 0.982 57.132 56.100 0.083 0.000 0.990 848 R CB 0.289 30.625 30.300 0.060 0.000 0.889 848 R HN -0.015 nan 8.270 nan 0.000 0.452 849 K N -0.124 120.322 120.400 0.076 0.000 2.348 849 K HA 0.100 4.401 4.320 -0.032 0.000 0.194 849 K C -0.385 176.254 176.600 0.065 0.000 1.052 849 K CA 0.386 56.706 56.287 0.055 0.000 1.004 849 K CB 0.845 33.363 32.500 0.031 0.000 0.873 849 K HN 0.210 nan 8.250 nan 0.000 0.523 850 E N 0.819 121.081 120.200 0.103 0.000 2.235 850 E HA 0.065 4.396 4.350 -0.032 0.000 0.252 850 E C 0.326 177.020 176.600 0.156 0.000 0.886 850 E CA -0.230 56.239 56.400 0.116 0.000 0.767 850 E CB 1.701 31.469 29.700 0.112 0.000 1.205 850 E HN 0.047 nan 8.360 nan 0.000 0.421 851 S N 3.298 119.064 115.700 0.111 0.000 2.380 851 S HA -0.342 4.109 4.470 -0.032 0.000 0.229 851 S C 1.917 176.592 174.600 0.125 0.000 1.043 851 S CA 1.306 59.567 58.200 0.102 0.000 1.038 851 S CB -0.127 63.115 63.200 0.070 0.000 0.872 851 S HN 0.527 nan 8.310 nan 0.000 0.456 852 R N -0.078 120.505 120.500 0.138 0.000 2.081 852 R HA -0.050 4.271 4.340 -0.032 0.000 0.235 852 R C 2.163 178.602 176.300 0.230 0.000 1.131 852 R CA 1.495 57.686 56.100 0.151 0.000 0.960 852 R CB -0.465 29.910 30.300 0.124 0.000 0.856 852 R HN 0.481 nan 8.270 nan 0.000 0.436 853 F N 1.724 121.738 119.950 0.105 0.000 2.206 853 F HA -0.134 4.374 4.527 -0.032 0.000 0.298 853 F C 2.573 178.497 175.800 0.206 0.000 1.090 853 F CA 1.566 59.663 58.000 0.162 0.000 1.323 853 F CB -0.244 38.819 39.000 0.106 0.000 1.028 853 F HN 0.107 nan 8.300 nan 0.000 0.492 854 Q N 0.159 120.072 119.800 0.189 0.000 2.084 854 Q HA -0.214 4.107 4.340 -0.032 0.000 0.202 854 Q C 2.222 178.227 176.000 0.009 0.000 0.978 854 Q CA 1.902 57.752 55.803 0.078 0.000 0.844 854 Q CB -0.365 28.436 28.738 0.105 0.000 0.898 854 Q HN 0.471 nan 8.270 nan 0.000 0.426 855 L N 0.140 121.391 121.223 0.046 0.000 2.017 855 L HA -0.158 4.163 4.340 -0.032 0.000 0.208 855 L C 2.345 179.209 176.870 -0.011 0.000 1.073 855 L CA 1.670 56.523 54.840 0.022 0.000 0.745 855 L CB -0.694 41.396 42.059 0.052 0.000 0.894 855 L HN 0.310 nan 8.230 nan 0.000 0.432 856 F N -0.786 119.102 119.950 -0.103 0.000 2.126 856 F HA -0.298 4.209 4.527 -0.032 0.000 0.299 856 F C 2.339 178.023 175.800 -0.192 0.000 1.096 856 F CA 1.653 59.570 58.000 -0.138 0.000 1.255 856 F CB -0.142 38.777 39.000 -0.135 0.000 0.997 856 F HN 0.003 nan 8.300 nan 0.000 0.479 857 M N 0.016 119.376 119.600 -0.399 0.000 2.175 857 M HA -0.182 4.279 4.480 -0.032 0.000 0.264 857 M C 2.212 178.355 176.300 -0.261 0.000 1.063 857 M CA 1.510 56.578 55.300 -0.387 0.000 1.119 857 M CB -1.165 31.279 32.600 -0.260 0.000 1.377 857 M HN 0.326 nan 8.290 nan 0.000 0.415 858 Q N -0.157 119.535 119.800 -0.180 0.000 2.084 858 Q HA -0.199 4.122 4.340 -0.032 0.000 0.202 858 Q C 2.005 177.912 176.000 -0.154 0.000 0.978 858 Q CA 1.579 57.312 55.803 -0.116 0.000 0.844 858 Q CB -0.102 28.596 28.738 -0.067 0.000 0.898 858 Q HN 0.516 nan 8.270 nan 0.000 0.426 859 E N 0.173 120.244 120.200 -0.214 0.000 2.038 859 E HA -0.246 4.085 4.350 -0.032 0.000 0.195 859 E C 1.909 178.331 176.600 -0.298 0.000 1.000 859 E CA 1.109 57.376 56.400 -0.223 0.000 0.803 859 E CB -0.100 29.471 29.700 -0.213 0.000 0.750 859 E HN 0.361 nan 8.360 nan 0.000 0.448 860 A N 1.136 123.629 122.820 -0.545 0.000 1.877 860 A HA -0.216 4.085 4.320 -0.032 0.000 0.216 860 A C 1.849 179.198 177.584 -0.390 0.000 1.186 860 A CA 1.747 53.385 52.037 -0.665 0.000 0.620 860 A CB -0.535 17.745 19.000 -1.201 0.000 0.822 860 A HN 0.340 nan 8.150 nan 0.000 0.443 861 E N 0.102 120.189 120.200 -0.189 0.000 2.511 861 E HA -0.050 4.281 4.350 -0.032 0.000 0.196 861 E C 1.601 178.207 176.600 0.011 0.000 1.066 861 E CA 0.729 57.149 56.400 0.034 0.000 0.871 861 E CB -0.065 29.699 29.700 0.107 0.000 0.863 861 E HN 0.720 nan 8.360 nan 0.000 0.520 862 S N -0.650 115.025 115.700 -0.043 0.000 2.556 862 S HA -0.033 4.418 4.470 -0.032 0.000 0.216 862 S C 0.355 174.942 174.600 -0.021 0.000 0.970 862 S CA -0.431 57.752 58.200 -0.030 0.000 0.912 862 S CB -0.171 62.997 63.200 -0.053 0.000 0.790 862 S HN 0.261 nan 8.310 nan 0.000 0.504 863 H N 3.212 122.218 119.070 -0.107 0.000 2.928 863 H HA 0.211 4.748 4.556 -0.032 0.000 0.338 863 H C -1.260 174.041 175.328 -0.045 0.000 1.047 863 H CA -0.811 55.182 56.048 -0.091 0.000 1.435 863 H CB 0.951 30.632 29.762 -0.134 0.000 1.428 863 H HN 0.064 nan 8.280 nan 0.000 0.590 864 P HA -0.223 nan 4.420 nan 0.000 0.216 864 P C 0.949 178.333 177.300 0.141 0.000 1.153 864 P CA 1.423 64.521 63.100 -0.004 0.000 0.858 864 P CB 0.224 31.868 31.700 -0.094 0.000 0.789 865 Q N -1.485 118.538 119.800 0.371 0.000 2.443 865 Q HA -0.113 4.208 4.340 -0.032 0.000 0.213 865 Q C 1.761 177.848 176.000 0.146 0.000 0.982 865 Q CA 0.827 56.770 55.803 0.233 0.000 0.894 865 Q CB -0.598 28.244 28.738 0.173 0.000 0.947 865 Q HN 0.251 nan 8.270 nan 0.000 0.480 866 C N -0.084 119.313 119.300 0.162 0.000 2.562 866 C HA 0.103 4.544 4.460 -0.032 0.000 0.266 866 C C 0.552 175.608 174.990 0.109 0.000 1.382 866 C CA -0.178 58.930 59.018 0.150 0.000 1.742 866 C CB -0.903 26.944 27.740 0.179 0.000 1.812 866 C HN 0.546 nan 8.230 nan 0.000 0.559 867 R N 0.234 120.787 120.500 0.088 0.000 3.405 867 R HA -0.245 4.076 4.340 -0.032 0.000 0.258 867 R C 0.485 176.817 176.300 0.052 0.000 1.030 867 R CA 0.490 56.627 56.100 0.061 0.000 0.691 867 R CB -1.859 28.474 30.300 0.055 0.000 1.093 867 R HN 0.648 nan 8.270 nan 0.000 0.448 868 R N -2.385 118.147 120.500 0.053 0.000 3.953 868 R HA -0.219 4.102 4.340 -0.032 0.000 0.340 868 R C -0.138 176.191 176.300 0.049 0.000 1.195 868 R CA 1.417 57.543 56.100 0.044 0.000 0.929 868 R CB -1.409 28.908 30.300 0.028 0.000 1.402 868 R HN 0.384 nan 8.270 nan 0.000 0.540 869 L N 1.033 122.295 121.223 0.065 0.000 2.343 869 L HA 0.286 4.607 4.340 -0.032 0.000 0.275 869 L C 0.933 177.853 176.870 0.083 0.000 1.056 869 L CA -0.544 54.333 54.840 0.062 0.000 0.804 869 L CB 1.480 43.574 42.059 0.058 0.000 1.203 869 L HN 0.067 nan 8.230 nan 0.000 0.440 870 Q N 0.990 120.826 119.800 0.059 0.000 2.249 870 Q HA 0.186 4.507 4.340 -0.032 0.000 0.226 870 Q C 1.015 177.007 176.000 -0.014 0.000 0.983 870 Q CA -0.568 55.272 55.803 0.062 0.000 0.930 870 Q CB 1.448 30.210 28.738 0.039 0.000 1.193 870 Q HN 0.579 nan 8.270 nan 0.000 0.508 871 L N 1.615 122.763 121.223 -0.125 0.000 2.013 871 L HA -0.260 4.061 4.340 -0.032 0.000 0.212 871 L C 2.454 179.208 176.870 -0.193 0.000 1.073 871 L CA 2.048 56.632 54.840 -0.428 0.000 0.753 871 L CB -0.345 41.365 42.059 -0.581 0.000 0.890 871 L HN 0.746 nan 8.230 nan 0.000 0.432 872 R N -0.795 119.645 120.500 -0.100 0.000 2.152 872 R HA -0.159 4.162 4.340 -0.032 0.000 0.232 872 R C 1.331 177.608 176.300 -0.038 0.000 1.117 872 R CA 1.574 57.635 56.100 -0.065 0.000 0.981 872 R CB -0.611 29.665 30.300 -0.040 0.000 0.870 872 R HN 0.429 nan 8.270 nan 0.000 0.451 873 D N 1.117 121.503 120.400 -0.024 0.000 2.194 873 D HA -0.013 4.608 4.640 -0.032 0.000 0.204 873 D C 2.090 178.398 176.300 0.012 0.000 0.964 873 D CA 0.815 54.815 54.000 0.000 0.000 0.846 873 D CB 0.058 40.867 40.800 0.014 0.000 0.962 873 D HN 0.279 nan 8.370 nan 0.000 0.490 874 L N 0.434 121.657 121.223 -0.001 0.000 2.202 874 L HA 0.134 4.455 4.340 -0.032 0.000 0.205 874 L C 2.428 179.337 176.870 0.064 0.000 1.083 874 L CA 0.184 55.040 54.840 0.028 0.000 0.790 874 L CB 0.122 42.192 42.059 0.019 0.000 0.942 874 L HN -0.086 nan 8.230 nan 0.000 0.452 875 I N 0.132 120.733 120.570 0.051 0.000 2.756 875 I HA -0.250 3.901 4.170 -0.032 0.000 0.262 875 I C 2.113 178.355 176.117 0.207 0.000 1.225 875 I CA 1.040 62.434 61.300 0.156 0.000 1.472 875 I CB 0.331 38.358 38.000 0.045 0.000 1.094 875 I HN 0.224 nan 8.210 nan 0.000 0.454 876 I N -0.175 120.464 120.570 0.116 0.000 3.564 876 I HA -0.163 3.988 4.170 -0.032 0.000 0.294 876 I C 2.249 178.444 176.117 0.129 0.000 1.289 876 I CA 0.803 62.171 61.300 0.113 0.000 1.325 876 I CB 0.002 38.032 38.000 0.050 0.000 1.039 876 I HN 0.269 nan 8.210 nan 0.000 0.474 877 S N -0.109 115.680 115.700 0.149 0.000 2.399 877 S HA -0.222 4.229 4.470 -0.032 0.000 0.231 877 S C 1.875 176.577 174.600 0.169 0.000 1.022 877 S CA 1.237 59.525 58.200 0.148 0.000 0.983 877 S CB -0.293 63.009 63.200 0.169 0.000 0.803 877 S HN 0.542 nan 8.310 nan 0.000 0.480 878 E N 1.808 122.146 120.200 0.231 0.000 2.031 878 E HA -0.123 4.208 4.350 -0.032 0.000 0.193 878 E C 2.079 178.731 176.600 0.087 0.000 0.994 878 E CA 1.452 57.957 56.400 0.176 0.000 0.800 878 E CB -0.509 29.261 29.700 0.117 0.000 0.752 878 E HN 0.457 nan 8.360 nan 0.000 0.447 879 M N 0.411 120.087 119.600 0.126 0.000 2.108 879 M HA -0.246 4.215 4.480 -0.032 0.000 0.261 879 M C 1.875 178.181 176.300 0.010 0.000 1.066 879 M CA 1.918 57.265 55.300 0.079 0.000 1.107 879 M CB -0.550 32.100 32.600 0.084 0.000 1.356 879 M HN 0.213 nan 8.290 nan 0.000 0.406 880 Q N -0.829 118.971 119.800 -0.001 0.000 2.119 880 Q HA -0.206 4.114 4.340 -0.032 0.000 0.201 880 Q C 2.095 178.013 176.000 -0.137 0.000 0.972 880 Q CA 1.547 57.323 55.803 -0.045 0.000 0.847 880 Q CB -0.336 28.392 28.738 -0.018 0.000 0.903 880 Q HN 0.400 nan 8.270 nan 0.000 0.433 881 R N 1.122 121.486 120.500 -0.227 0.000 2.070 881 R HA -0.144 4.177 4.340 -0.032 0.000 0.233 881 R C 1.928 177.890 176.300 -0.562 0.000 1.137 881 R CA 1.194 57.014 56.100 -0.467 0.000 0.945 881 R CB -0.796 28.963 30.300 -0.901 0.000 0.845 881 R HN 0.152 nan 8.270 nan 0.000 0.430 882 L N 0.766 121.819 121.223 -0.284 0.000 2.051 882 L HA -0.230 4.091 4.340 -0.032 0.000 0.214 882 L C 2.386 179.192 176.870 -0.108 0.000 1.076 882 L CA 2.630 57.427 54.840 -0.072 0.000 0.758 882 L CB -1.355 40.749 42.059 0.075 0.000 0.890 882 L HN 0.596 nan 8.230 nan 0.000 0.433 883 T N -4.042 110.444 114.554 -0.114 0.000 3.007 883 T HA -0.133 4.198 4.350 -0.032 0.000 0.270 883 T C 1.664 176.300 174.700 -0.108 0.000 1.107 883 T CA 0.732 62.783 62.100 -0.082 0.000 1.118 883 T CB -0.225 68.609 68.868 -0.057 0.000 0.889 883 T HN 0.279 nan 8.240 nan 0.000 0.506 884 K N 0.053 120.331 120.400 -0.203 0.000 2.243 884 K HA 0.071 4.372 4.320 -0.032 0.000 0.201 884 K C 1.740 178.290 176.600 -0.083 0.000 1.051 884 K CA 0.461 56.653 56.287 -0.159 0.000 0.970 884 K CB -0.470 31.919 32.500 -0.184 0.000 0.755 884 K HN 0.385 nan 8.250 nan 0.000 0.465 885 Y N 1.642 121.934 120.300 -0.013 0.000 2.081 885 Y HA -0.161 4.369 4.550 -0.032 0.000 0.280 885 Y C -0.537 175.314 175.900 -0.082 0.000 1.163 885 Y CA 1.174 59.257 58.100 -0.029 0.000 1.135 885 Y CB -2.026 36.322 38.460 -0.187 0.000 0.970 885 Y HN 0.112 nan 8.280 nan 0.000 0.498 886 P HA -0.149 nan 4.420 nan 0.000 0.216 886 P C 1.702 179.001 177.300 -0.001 0.000 1.150 886 P CA 1.225 64.311 63.100 -0.023 0.000 0.837 886 P CB 0.005 31.677 31.700 -0.047 0.000 0.786 887 L N -1.364 119.862 121.223 0.005 0.000 2.027 887 L HA -0.123 4.198 4.340 -0.032 0.000 0.206 887 L C 2.264 179.146 176.870 0.021 0.000 1.074 887 L CA 1.694 56.536 54.840 0.002 0.000 0.745 887 L CB -1.804 40.251 42.059 -0.007 0.000 0.898 887 L HN -0.060 nan 8.230 nan 0.000 0.433 888 L N -1.039 120.216 121.223 0.054 0.000 2.042 888 L HA -0.220 4.101 4.340 -0.032 0.000 0.210 888 L C 2.472 179.385 176.870 0.071 0.000 1.076 888 L CA 1.646 56.534 54.840 0.081 0.000 0.749 888 L CB -1.138 41.016 42.059 0.158 0.000 0.893 888 L HN 0.221 nan 8.230 nan 0.000 0.432 889 L N -1.173 120.096 121.223 0.076 0.000 2.027 889 L HA -0.208 4.113 4.340 -0.032 0.000 0.206 889 L C 2.443 179.304 176.870 -0.014 0.000 1.074 889 L CA 0.972 55.837 54.840 0.042 0.000 0.745 889 L CB -0.378 41.703 42.059 0.037 0.000 0.898 889 L HN 0.218 nan 8.230 nan 0.000 0.433 890 E N -0.570 119.616 120.200 -0.023 0.000 2.187 890 E HA -0.284 4.047 4.350 -0.032 0.000 0.199 890 E C 2.282 178.847 176.600 -0.058 0.000 1.004 890 E CA 1.665 58.039 56.400 -0.044 0.000 0.813 890 E CB -0.013 29.667 29.700 -0.034 0.000 0.736 890 E HN 0.302 nan 8.360 nan 0.000 0.468 891 S N -0.939 114.738 115.700 -0.038 0.000 2.458 891 S HA 0.023 4.474 4.470 -0.032 0.000 0.223 891 S C 1.772 176.352 174.600 -0.034 0.000 1.019 891 S CA 0.255 58.425 58.200 -0.050 0.000 0.937 891 S CB -0.036 63.163 63.200 -0.000 0.000 0.788 891 S HN 0.231 nan 8.310 nan 0.000 0.511 892 I N 1.169 121.732 120.570 -0.010 0.000 2.286 892 I HA -0.079 4.072 4.170 -0.032 0.000 0.245 892 I C 2.058 178.159 176.117 -0.027 0.000 1.104 892 I CA 1.003 62.302 61.300 -0.001 0.000 1.397 892 I CB -0.317 37.677 38.000 -0.011 0.000 1.072 892 I HN 0.283 nan 8.210 nan 0.000 0.417 893 I N 0.884 121.409 120.570 -0.075 0.000 2.264 893 I HA -0.337 3.814 4.170 -0.032 0.000 0.248 893 I C 2.609 178.713 176.117 -0.021 0.000 1.111 893 I CA 1.458 62.692 61.300 -0.111 0.000 1.382 893 I CB -0.419 37.452 38.000 -0.215 0.000 1.060 893 I HN 0.198 nan 8.210 nan 0.000 0.418 894 K N 0.562 120.891 120.400 -0.119 0.000 2.152 894 K HA -0.200 4.101 4.320 -0.032 0.000 0.206 894 K C 1.170 177.618 176.600 -0.254 0.000 1.048 894 K CA 1.697 57.849 56.287 -0.225 0.000 0.933 894 K CB -0.115 32.140 32.500 -0.407 0.000 0.721 894 K HN 0.498 nan 8.250 nan 0.000 0.447 895 H N -0.702 118.371 119.070 0.005 0.000 2.505 895 H HA 0.167 4.704 4.556 -0.032 0.000 0.286 895 H C -0.635 174.691 175.328 -0.003 0.000 1.072 895 H CA -0.382 55.659 56.048 -0.012 0.000 1.141 895 H CB 0.969 30.704 29.762 -0.045 0.000 1.550 895 H HN -0.053 nan 8.280 nan 0.000 0.547 896 T N 0.750 115.372 114.554 0.112 0.000 2.824 896 T HA 0.083 4.414 4.350 -0.032 0.000 0.280 896 T C -0.013 174.765 174.700 0.130 0.000 0.995 896 T CA -0.828 61.340 62.100 0.113 0.000 1.009 896 T CB 1.750 70.684 68.868 0.110 0.000 0.955 896 T HN 0.378 nan 8.240 nan 0.000 0.452 897 E N 2.162 122.410 120.200 0.078 0.000 2.415 897 E HA 0.333 4.664 4.350 -0.032 0.000 0.260 897 E C 0.688 177.293 176.600 0.009 0.000 1.016 897 E CA -0.281 56.140 56.400 0.034 0.000 0.924 897 E CB 0.055 29.765 29.700 0.018 0.000 0.961 897 E HN 0.704 nan 8.360 nan 0.000 0.459 898 G N 2.634 111.370 108.800 -0.106 0.000 2.599 898 G HA2 0.421 4.362 3.960 -0.032 0.000 0.264 898 G HA3 0.421 4.362 3.960 -0.032 0.000 0.264 898 G C 0.822 175.582 174.900 -0.233 0.000 1.200 898 G CA -0.397 44.480 45.100 -0.372 0.000 0.896 898 G HN 1.213 nan 8.290 nan 0.000 0.536 899 G N -1.303 107.329 108.800 -0.280 0.000 2.168 899 G HA2 -0.151 3.790 3.960 -0.032 0.000 0.263 899 G HA3 -0.151 3.790 3.960 -0.032 0.000 0.263 899 G C 0.708 175.581 174.900 -0.044 0.000 0.977 899 G CA 1.724 46.751 45.100 -0.121 0.000 0.659 899 G HN 1.731 nan 8.290 nan 0.000 0.533 900 T N -3.273 111.275 114.554 -0.010 0.000 2.876 900 T HA 0.725 5.056 4.350 -0.032 0.000 0.277 900 T C 1.684 176.422 174.700 0.063 0.000 0.997 900 T CA 0.837 62.954 62.100 0.028 0.000 0.966 900 T CB 1.463 70.352 68.868 0.034 0.000 1.312 900 T HN 1.029 nan 8.240 nan 0.000 0.598 901 S N -0.588 115.143 115.700 0.051 0.000 2.388 901 S HA -0.076 4.375 4.470 -0.032 0.000 0.223 901 S C 1.943 176.578 174.600 0.058 0.000 1.034 901 S CA 1.237 59.467 58.200 0.049 0.000 0.963 901 S CB -0.826 62.393 63.200 0.031 0.000 0.827 901 S HN 0.856 nan 8.310 nan 0.000 0.481 902 E N 1.152 121.387 120.200 0.058 0.000 2.085 902 E HA -0.270 4.061 4.350 -0.032 0.000 0.194 902 E C 2.078 178.716 176.600 0.063 0.000 0.994 902 E CA 1.782 58.213 56.400 0.052 0.000 0.801 902 E CB -0.721 29.005 29.700 0.044 0.000 0.743 902 E HN 0.761 nan 8.360 nan 0.000 0.453 903 H N 0.530 119.605 119.070 0.007 0.000 2.293 903 H HA -0.108 4.429 4.556 -0.032 0.000 0.300 903 H C 2.047 177.379 175.328 0.007 0.000 1.082 903 H CA 1.973 58.024 56.048 0.005 0.000 1.308 903 H CB -0.047 29.715 29.762 -0.001 0.000 1.375 903 H HN 0.373 nan 8.280 nan 0.000 0.495 904 E N 0.684 120.996 120.200 0.187 0.000 2.070 904 E HA -0.199 4.132 4.350 -0.032 0.000 0.197 904 E C 2.206 178.826 176.600 0.034 0.000 1.004 904 E CA 1.363 57.833 56.400 0.117 0.000 0.805 904 E CB 0.091 29.842 29.700 0.086 0.000 0.744 904 E HN 0.431 nan 8.360 nan 0.000 0.451 905 K N 0.049 120.464 120.400 0.025 0.000 2.147 905 K HA -0.099 4.202 4.320 -0.032 0.000 0.205 905 K C 2.207 178.802 176.600 -0.007 0.000 1.049 905 K CA 0.919 57.213 56.287 0.012 0.000 0.936 905 K CB -0.035 32.478 32.500 0.021 0.000 0.722 905 K HN 0.184 nan 8.250 nan 0.000 0.446 906 L N 0.110 121.302 121.223 -0.050 0.000 2.109 906 L HA -0.194 4.126 4.340 -0.032 0.000 0.207 906 L C 2.404 179.215 176.870 -0.099 0.000 1.086 906 L CA 0.719 55.515 54.840 -0.074 0.000 0.760 906 L CB -0.493 41.485 42.059 -0.135 0.000 0.910 906 L HN 0.299 nan 8.230 nan 0.000 0.437 907 C N -0.253 118.958 119.300 -0.148 0.000 2.425 907 C HA -0.167 4.274 4.460 -0.032 0.000 0.277 907 C C 3.021 177.986 174.990 -0.041 0.000 1.280 907 C CA 1.030 59.988 59.018 -0.100 0.000 1.744 907 C CB -0.965 26.740 27.740 -0.059 0.000 1.989 907 C HN 0.508 nan 8.230 nan 0.000 0.491 908 R N 1.410 121.897 120.500 -0.021 0.000 2.073 908 R HA -0.040 4.281 4.340 -0.032 0.000 0.229 908 R C 2.217 178.514 176.300 -0.006 0.000 1.120 908 R CA 1.692 57.787 56.100 -0.008 0.000 0.967 908 R CB -0.475 29.827 30.300 0.002 0.000 0.862 908 R HN 0.378 nan 8.270 nan 0.000 0.436 909 A N 1.546 124.374 122.820 0.012 0.000 1.933 909 A HA -0.180 4.121 4.320 -0.032 0.000 0.218 909 A C 2.270 179.839 177.584 -0.026 0.000 1.175 909 A CA 1.456 53.524 52.037 0.052 0.000 0.628 909 A CB -0.689 18.394 19.000 0.138 0.000 0.814 909 A HN 0.440 nan 8.150 nan 0.000 0.444 910 R N -0.285 120.189 120.500 -0.044 0.000 2.073 910 R HA -0.166 4.155 4.340 -0.032 0.000 0.234 910 R C 1.300 177.548 176.300 -0.086 0.000 1.134 910 R CA 1.891 57.943 56.100 -0.080 0.000 0.952 910 R CB -0.459 29.804 30.300 -0.061 0.000 0.850 910 R HN 0.437 nan 8.270 nan 0.000 0.433 911 D N 0.416 120.782 120.400 -0.057 0.000 2.144 911 D HA -0.162 4.459 4.640 -0.032 0.000 0.199 911 D C 2.070 178.336 176.300 -0.056 0.000 0.984 911 D CA 0.976 54.947 54.000 -0.047 0.000 0.834 911 D CB -0.097 40.686 40.800 -0.028 0.000 0.955 911 D HN 0.265 nan 8.370 nan 0.000 0.465 912 Q N -0.023 119.741 119.800 -0.061 0.000 2.083 912 Q HA -0.057 4.264 4.340 -0.032 0.000 0.198 912 Q C 2.542 178.469 176.000 -0.121 0.000 0.969 912 Q CA 0.466 56.232 55.803 -0.062 0.000 0.838 912 Q CB -0.765 27.957 28.738 -0.026 0.000 0.900 912 Q HN 0.339 nan 8.270 nan 0.000 0.436 913 C N 0.609 119.769 119.300 -0.234 0.000 2.413 913 C HA -0.124 4.317 4.460 -0.032 0.000 0.276 913 C C 2.729 177.613 174.990 -0.177 0.000 1.248 913 C CA 0.573 59.373 59.018 -0.364 0.000 1.742 913 C CB -0.800 26.612 27.740 -0.547 0.000 2.017 913 C HN 0.484 nan 8.230 nan 0.000 0.481 914 R N 0.300 120.730 120.500 -0.117 0.000 2.120 914 R HA -0.144 4.177 4.340 -0.032 0.000 0.234 914 R C 2.021 178.300 176.300 -0.036 0.000 1.123 914 R CA 1.373 57.436 56.100 -0.063 0.000 0.975 914 R CB -0.300 29.971 30.300 -0.049 0.000 0.866 914 R HN 0.544 nan 8.270 nan 0.000 0.446 915 E N 0.812 120.990 120.200 -0.038 0.000 2.072 915 E HA -0.051 4.280 4.350 -0.032 0.000 0.190 915 E C 1.828 178.444 176.600 0.026 0.000 0.982 915 E CA 0.727 57.125 56.400 -0.004 0.000 0.803 915 E CB -0.028 29.665 29.700 -0.011 0.000 0.755 915 E HN 0.198 nan 8.360 nan 0.000 0.453 916 I N 0.265 120.826 120.570 -0.015 0.000 2.163 916 I HA -0.322 3.829 4.170 -0.032 0.000 0.243 916 I C 2.140 178.302 176.117 0.074 0.000 1.085 916 I CA 1.030 62.331 61.300 0.001 0.000 1.347 916 I CB -0.244 37.725 38.000 -0.050 0.000 1.044 916 I HN 0.164 nan 8.210 nan 0.000 0.408 917 L N 0.212 121.456 121.223 0.034 0.000 2.046 917 L HA -0.242 4.079 4.340 -0.032 0.000 0.208 917 L C 2.627 179.531 176.870 0.057 0.000 1.077 917 L CA 1.415 56.281 54.840 0.044 0.000 0.747 917 L CB -0.580 41.483 42.059 0.008 0.000 0.896 917 L HN 0.169 nan 8.230 nan 0.000 0.432 918 K N -0.703 119.727 120.400 0.049 0.000 2.059 918 K HA -0.282 4.019 4.320 -0.032 0.000 0.212 918 K C 2.186 178.832 176.600 0.076 0.000 1.050 918 K CA 2.134 58.449 56.287 0.046 0.000 0.927 918 K CB -0.383 32.141 32.500 0.039 0.000 0.714 918 K HN 0.227 nan 8.250 nan 0.000 0.447 919 Y N 1.148 121.442 120.300 -0.010 0.000 2.200 919 Y HA -0.209 4.322 4.550 -0.031 0.000 0.290 919 Y C 1.971 177.875 175.900 0.006 0.000 1.137 919 Y CA 1.063 59.161 58.100 -0.003 0.000 1.163 919 Y CB -0.128 38.331 38.460 -0.003 0.000 0.988 919 Y HN -0.224 nan 8.280 nan 0.000 0.518 920 V N 0.567 120.615 119.914 0.224 0.000 2.379 920 V HA -0.286 3.815 4.120 -0.032 0.000 0.245 920 V C 2.115 178.228 176.094 0.031 0.000 1.044 920 V CA 2.013 64.398 62.300 0.142 0.000 1.036 920 V CB -1.006 30.912 31.823 0.159 0.000 0.664 920 V HN 0.463 nan 8.190 nan 0.000 0.453 921 N N 0.388 119.100 118.700 0.021 0.000 2.037 921 N HA -0.279 4.442 4.740 -0.032 0.000 0.196 921 N C 1.835 177.316 175.510 -0.048 0.000 1.034 921 N CA 1.999 55.042 53.050 -0.012 0.000 0.861 921 N CB -0.143 38.338 38.487 -0.011 0.000 1.039 921 N HN 0.452 nan 8.380 nan 0.000 0.427 922 E N -0.149 120.000 120.200 -0.085 0.000 2.077 922 E HA -0.058 4.273 4.350 -0.032 0.000 0.193 922 E C 1.780 178.288 176.600 -0.153 0.000 0.989 922 E CA 1.326 57.648 56.400 -0.130 0.000 0.800 922 E CB -0.516 29.078 29.700 -0.176 0.000 0.746 922 E HN 0.481 nan 8.360 nan 0.000 0.452 923 A N -0.052 122.651 122.820 -0.194 0.000 1.845 923 A HA -0.170 4.131 4.320 -0.032 0.000 0.215 923 A C 2.506 180.052 177.584 -0.064 0.000 1.195 923 A CA 1.797 53.744 52.037 -0.150 0.000 0.616 923 A CB -1.013 17.910 19.000 -0.127 0.000 0.832 923 A HN 0.175 nan 8.150 nan 0.000 0.443 924 V N 0.643 120.535 119.914 -0.036 0.000 2.250 924 V HA -0.358 3.743 4.120 -0.032 0.000 0.250 924 V C 2.582 178.654 176.094 -0.036 0.000 1.060 924 V CA 2.576 64.862 62.300 -0.024 0.000 1.030 924 V CB -0.775 31.039 31.823 -0.015 0.000 0.643 924 V HN 0.656 nan 8.190 nan 0.000 0.445 925 K N -0.635 119.738 120.400 -0.045 0.000 2.034 925 K HA -0.278 4.023 4.320 -0.032 0.000 0.214 925 K C 2.325 178.898 176.600 -0.044 0.000 1.051 925 K CA 1.992 58.251 56.287 -0.045 0.000 0.931 925 K CB -0.138 32.331 32.500 -0.051 0.000 0.715 925 K HN 0.450 nan 8.250 nan 0.000 0.446 926 Q N -0.266 119.504 119.800 -0.051 0.000 2.046 926 Q HA -0.084 4.237 4.340 -0.032 0.000 0.200 926 Q C 2.228 178.215 176.000 -0.021 0.000 0.975 926 Q CA 1.681 57.458 55.803 -0.042 0.000 0.836 926 Q CB -0.776 27.929 28.738 -0.054 0.000 0.896 926 Q HN 0.353 nan 8.270 nan 0.000 0.428 927 T N 1.892 116.439 114.554 -0.011 0.000 2.699 927 T HA -0.173 4.158 4.350 -0.032 0.000 0.268 927 T C 1.706 176.420 174.700 0.024 0.000 1.036 927 T CA 1.636 63.750 62.100 0.022 0.000 1.147 927 T CB -0.097 68.795 68.868 0.040 0.000 0.862 927 T HN 0.370 nan 8.240 nan 0.000 0.446 928 E N 0.547 120.741 120.200 -0.010 0.000 2.107 928 E HA -0.075 4.256 4.350 -0.032 0.000 0.191 928 E C 2.245 178.834 176.600 -0.019 0.000 0.982 928 E CA 0.711 57.100 56.400 -0.019 0.000 0.809 928 E CB -0.082 29.592 29.700 -0.043 0.000 0.756 928 E HN 0.327 nan 8.360 nan 0.000 0.459 929 N N 0.620 119.296 118.700 -0.040 0.000 2.244 929 N HA -0.083 4.638 4.740 -0.032 0.000 0.183 929 N C 1.580 177.042 175.510 -0.081 0.000 1.016 929 N CA 0.799 53.804 53.050 -0.075 0.000 0.866 929 N CB -0.021 38.430 38.487 -0.060 0.000 0.980 929 N HN 0.078 nan 8.380 nan 0.000 0.430 930 R N -0.369 120.115 120.500 -0.027 0.000 2.062 930 R HA -0.052 4.269 4.340 -0.032 0.000 0.231 930 R C 2.086 178.379 176.300 -0.010 0.000 1.136 930 R CA 0.994 57.085 56.100 -0.015 0.000 0.948 930 R CB -0.586 29.725 30.300 0.018 0.000 0.845 930 R HN 0.439 nan 8.270 nan 0.000 0.430 931 H N 0.944 119.979 119.070 -0.060 0.000 2.353 931 H HA -0.162 4.375 4.556 -0.031 0.000 0.298 931 H C 2.195 177.449 175.328 -0.124 0.000 1.103 931 H CA 1.953 57.965 56.048 -0.060 0.000 1.293 931 H CB 0.136 29.873 29.762 -0.042 0.000 1.372 931 H HN 0.078 nan 8.280 nan 0.000 0.501 932 R N 0.147 120.554 120.500 -0.154 0.000 2.081 932 R HA -0.090 4.231 4.340 -0.032 0.000 0.235 932 R C 2.765 178.679 176.300 -0.643 0.000 1.131 932 R CA 1.270 57.137 56.100 -0.388 0.000 0.960 932 R CB -0.088 29.988 30.300 -0.373 0.000 0.856 932 R HN 0.306 nan 8.270 nan 0.000 0.436 933 L N 0.151 121.116 121.223 -0.429 0.000 2.109 933 L HA -0.103 4.218 4.340 -0.032 0.000 0.207 933 L C 2.288 179.086 176.870 -0.120 0.000 1.086 933 L CA 1.253 55.915 54.840 -0.297 0.000 0.760 933 L CB -0.305 41.672 42.059 -0.135 0.000 0.910 933 L HN 0.288 nan 8.230 nan 0.000 0.437 934 E N -0.028 120.097 120.200 -0.125 0.000 2.070 934 E HA -0.238 4.093 4.350 -0.032 0.000 0.197 934 E C 2.123 178.675 176.600 -0.080 0.000 1.004 934 E CA 1.290 57.638 56.400 -0.087 0.000 0.805 934 E CB -0.326 29.311 29.700 -0.105 0.000 0.744 934 E HN 0.558 nan 8.360 nan 0.000 0.451 935 G N -0.320 108.387 108.800 -0.156 0.000 2.448 935 G HA2 -0.234 3.707 3.960 -0.032 0.000 0.219 935 G HA3 -0.234 3.707 3.960 -0.032 0.000 0.219 935 G C 1.056 176.039 174.900 0.139 0.000 1.127 935 G CA 0.611 45.671 45.100 -0.068 0.000 0.766 935 G HN 0.196 nan 8.290 nan 0.000 0.552 936 Y N 0.045 120.303 120.300 -0.070 0.000 2.286 936 Y HA 0.014 4.548 4.550 -0.028 0.000 0.293 936 Y C 2.864 178.748 175.900 -0.028 0.000 1.124 936 Y CA 0.696 58.770 58.100 -0.044 0.000 1.178 936 Y CB -0.837 37.608 38.460 -0.024 0.000 1.010 936 Y HN 0.183 nan 8.280 nan 0.000 0.536 937 Q N 1.159 121.044 119.800 0.143 0.000 2.061 937 Q HA -0.157 4.164 4.340 -0.032 0.000 0.204 937 Q C 1.618 177.647 176.000 0.048 0.000 0.984 937 Q CA 1.767 57.616 55.803 0.077 0.000 0.846 937 Q CB -0.270 28.497 28.738 0.048 0.000 0.902 937 Q HN 0.281 nan 8.270 nan 0.000 0.421 938 K N -0.098 120.324 120.400 0.036 0.000 2.616 938 K HA -0.049 4.252 4.320 -0.032 0.000 0.192 938 K C 0.806 177.415 176.600 0.015 0.000 1.031 938 K CA 0.531 56.829 56.287 0.019 0.000 1.004 938 K CB 0.130 32.634 32.500 0.006 0.000 0.810 938 K HN 0.126 nan 8.250 nan 0.000 0.497 939 R N -0.259 120.252 120.500 0.018 0.000 2.541 939 R HA 0.220 4.541 4.340 -0.032 0.000 0.332 939 R C -0.114 176.175 176.300 -0.017 0.000 0.951 939 R CA -0.249 55.846 56.100 -0.009 0.000 1.136 939 R CB 0.751 31.032 30.300 -0.032 0.000 1.449 939 R HN 0.019 nan 8.270 nan 0.000 0.531 940 L N 2.462 123.688 121.223 0.005 0.000 2.360 940 L HA 0.159 4.480 4.340 -0.032 0.000 0.276 940 L C -0.770 176.108 176.870 0.012 0.000 1.121 940 L CA 0.143 54.988 54.840 0.009 0.000 0.845 940 L CB 0.793 42.872 42.059 0.033 0.000 1.143 940 L HN 0.014 nan 8.230 nan 0.000 0.452 941 D N 4.286 124.691 120.400 0.009 0.000 2.454 941 D HA 0.389 5.010 4.640 -0.032 0.000 0.225 941 D C -0.041 176.274 176.300 0.024 0.000 1.081 941 D CA -0.261 53.748 54.000 0.015 0.000 0.864 941 D CB 1.461 42.266 40.800 0.008 0.000 1.040 941 D HN 0.507 nan 8.370 nan 0.000 0.517 942 A N 3.171 126.011 122.820 0.032 0.000 2.911 942 A HA 0.276 4.577 4.320 -0.032 0.000 0.304 942 A C 1.102 178.710 177.584 0.039 0.000 1.144 942 A CA -0.224 51.840 52.037 0.044 0.000 0.988 942 A CB -0.295 18.742 19.000 0.062 0.000 1.141 942 A HN 0.527 nan 8.150 nan 0.000 0.552 943 T N -4.681 109.889 114.554 0.027 0.000 3.023 943 T HA 0.325 4.656 4.350 -0.032 0.000 0.253 943 T C 1.349 176.059 174.700 0.017 0.000 1.038 943 T CA 0.849 62.962 62.100 0.021 0.000 0.962 943 T CB 0.262 69.139 68.868 0.016 0.000 1.018 943 T HN 0.494 nan 8.240 nan 0.000 0.521 944 A N 0.459 123.288 122.820 0.014 0.000 2.259 944 A HA 0.554 4.855 4.320 -0.032 0.000 0.208 944 A C 1.773 179.365 177.584 0.013 0.000 1.201 944 A CA 0.198 52.238 52.037 0.005 0.000 0.824 944 A CB -0.474 18.519 19.000 -0.012 0.000 0.838 944 A HN 0.443 nan 8.150 nan 0.000 0.485 945 L N -1.501 119.740 121.223 0.030 0.000 2.642 945 L HA 0.210 4.531 4.340 -0.032 0.000 0.233 945 L C 1.865 178.761 176.870 0.043 0.000 1.077 945 L CA 0.676 55.545 54.840 0.048 0.000 0.879 945 L CB 0.010 42.115 42.059 0.077 0.000 1.151 945 L HN 0.349 nan 8.230 nan 0.000 0.495 946 E N 1.147 121.366 120.200 0.033 0.000 2.209 946 E HA -0.159 4.172 4.350 -0.032 0.000 0.196 946 E C 0.491 177.102 176.600 0.018 0.000 0.993 946 E CA 0.887 57.302 56.400 0.025 0.000 0.819 946 E CB 0.052 29.764 29.700 0.020 0.000 0.745 946 E HN 0.456 nan 8.360 nan 0.000 0.477 947 R N -0.380 120.130 120.500 0.017 0.000 2.647 947 R HA 0.547 4.868 4.340 -0.032 0.000 0.295 947 R C -0.297 176.012 176.300 0.016 0.000 1.267 947 R CA -0.287 55.822 56.100 0.014 0.000 1.386 947 R CB 0.394 30.700 30.300 0.009 0.000 1.309 947 R HN -0.116 nan 8.270 nan 0.000 0.692 948 A N 0.665 123.500 122.820 0.023 0.000 2.292 948 A HA 0.293 4.594 4.320 -0.032 0.000 0.265 948 A C 0.887 178.485 177.584 0.025 0.000 1.133 948 A CA -0.252 51.800 52.037 0.026 0.000 0.807 948 A CB 0.815 19.839 19.000 0.040 0.000 1.102 948 A HN 0.416 nan 8.150 nan 0.000 0.502 949 S N -0.504 115.211 115.700 0.025 0.000 2.503 949 S HA 0.032 4.482 4.470 -0.032 0.000 0.217 949 S C 0.813 175.430 174.600 0.028 0.000 0.999 949 S CA -0.146 58.066 58.200 0.021 0.000 0.914 949 S CB -0.277 62.933 63.200 0.016 0.000 0.782 949 S HN 0.693 nan 8.310 nan 0.000 0.520 950 N N 1.606 120.332 118.700 0.044 0.000 2.414 950 N HA 0.187 4.908 4.740 -0.032 0.000 0.256 950 N C -2.258 173.286 175.510 0.057 0.000 1.029 950 N CA -1.714 51.368 53.050 0.054 0.000 0.948 950 N CB 1.641 40.177 38.487 0.083 0.000 1.102 950 N HN -0.039 nan 8.380 nan 0.000 0.496 951 P HA -0.125 nan 4.420 nan 0.000 0.216 951 P C 1.447 178.776 177.300 0.048 0.000 1.153 951 P CA 0.953 64.074 63.100 0.034 0.000 0.858 951 P CB 0.410 32.125 31.700 0.024 0.000 0.789 952 L N -1.217 120.052 121.223 0.078 0.000 2.141 952 L HA -0.070 4.251 4.340 -0.032 0.000 0.209 952 L C 2.391 179.374 176.870 0.189 0.000 1.094 952 L CA 1.657 56.566 54.840 0.116 0.000 0.763 952 L CB -1.250 40.895 42.059 0.144 0.000 0.908 952 L HN -0.101 nan 8.230 nan 0.000 0.437 953 A N -0.871 122.065 122.820 0.194 0.000 2.016 953 A HA 0.015 4.316 4.320 -0.032 0.000 0.217 953 A C 2.491 180.198 177.584 0.206 0.000 1.162 953 A CA 1.098 53.294 52.037 0.266 0.000 0.662 953 A CB -0.668 18.449 19.000 0.195 0.000 0.812 953 A HN 0.345 nan 8.150 nan 0.000 0.450 954 A N 1.314 124.192 122.820 0.096 0.000 1.917 954 A HA -0.239 4.061 4.320 -0.032 0.000 0.219 954 A C 1.819 179.392 177.584 -0.019 0.000 1.182 954 A CA 1.852 53.913 52.037 0.039 0.000 0.633 954 A CB -0.699 18.308 19.000 0.012 0.000 0.819 954 A HN 0.799 nan 8.150 nan 0.000 0.448 955 E N -1.820 118.300 120.200 -0.133 0.000 2.516 955 E HA 0.008 4.339 4.350 -0.032 0.000 0.199 955 E C 0.223 176.499 176.600 -0.540 0.000 1.069 955 E CA 0.474 56.666 56.400 -0.347 0.000 0.876 955 E CB -0.329 29.092 29.700 -0.465 0.000 0.843 955 E HN 0.599 nan 8.360 nan 0.000 0.530 956 F N 1.106 121.071 119.950 0.025 0.000 2.698 956 F HA 0.282 4.787 4.527 -0.037 0.000 0.304 956 F C 1.396 177.211 175.800 0.024 0.000 1.108 956 F CA -0.770 57.245 58.000 0.025 0.000 1.263 956 F CB 0.590 39.608 39.000 0.030 0.000 1.013 956 F HN -0.024 nan 8.300 nan 0.000 0.532 957 K N 0.052 120.523 120.400 0.119 0.000 2.211 957 K HA -0.098 4.203 4.320 -0.032 0.000 0.204 957 K C 0.359 177.005 176.600 0.076 0.000 1.047 957 K CA 1.663 58.000 56.287 0.084 0.000 0.935 957 K CB -0.380 32.145 32.500 0.042 0.000 0.728 957 K HN 0.230 nan 8.250 nan 0.000 0.452 958 S N 0.562 116.307 115.700 0.076 0.000 2.327 958 S HA 0.248 4.699 4.470 -0.032 0.000 0.203 958 S C 0.651 175.306 174.600 0.091 0.000 1.326 958 S CA -0.757 57.483 58.200 0.066 0.000 1.248 958 S CB 0.440 63.663 63.200 0.038 0.000 1.199 958 S HN 0.198 nan 8.310 nan 0.000 0.422 959 L N 2.039 123.342 121.223 0.134 0.000 1.963 959 L HA -0.156 4.165 4.340 -0.032 0.000 0.220 959 L C 0.604 177.545 176.870 0.119 0.000 1.076 959 L CA 1.966 56.910 54.840 0.173 0.000 0.772 959 L CB -0.285 41.868 42.059 0.156 0.000 0.892 959 L HN 0.689 nan 8.230 nan 0.000 0.435 960 D N -0.851 119.600 120.400 0.086 0.000 4.353 960 D HA -0.181 4.440 4.640 -0.032 0.000 0.242 960 D C 0.485 176.826 176.300 0.067 0.000 1.063 960 D CA 0.441 54.481 54.000 0.067 0.000 1.224 960 D CB -0.604 40.229 40.800 0.055 0.000 0.831 960 D HN 0.285 nan 8.370 nan 0.000 0.405 961 L N 2.470 123.732 121.223 0.066 0.000 2.478 961 L HA -0.043 4.278 4.340 -0.032 0.000 0.223 961 L C 2.583 179.478 176.870 0.042 0.000 1.140 961 L CA 1.091 55.969 54.840 0.063 0.000 0.842 961 L CB -0.259 41.853 42.059 0.090 0.000 0.953 961 L HN 0.288 nan 8.230 nan 0.000 0.452 962 T N -1.374 113.201 114.554 0.034 0.000 2.962 962 T HA -0.117 4.214 4.350 -0.032 0.000 0.270 962 T C 1.831 176.542 174.700 0.019 0.000 1.088 962 T CA 1.718 63.830 62.100 0.019 0.000 1.127 962 T CB -0.294 68.584 68.868 0.017 0.000 0.883 962 T HN 0.523 nan 8.240 nan 0.000 0.493 963 T N -0.537 114.034 114.554 0.028 0.000 3.081 963 T HA 0.280 4.611 4.350 -0.032 0.000 0.250 963 T C 0.724 175.440 174.700 0.027 0.000 1.100 963 T CA -0.253 61.864 62.100 0.027 0.000 1.038 963 T CB 0.270 69.158 68.868 0.033 0.000 0.962 963 T HN 0.214 nan 8.240 nan 0.000 0.516 964 R N 1.354 121.871 120.500 0.028 0.000 2.787 964 R HA 0.614 4.935 4.340 -0.032 0.000 0.271 964 R C -0.477 175.831 176.300 0.013 0.000 0.993 964 R CA -1.037 55.078 56.100 0.025 0.000 0.993 964 R CB 1.379 31.699 30.300 0.034 0.000 1.155 964 R HN 0.329 nan 8.270 nan 0.000 0.486 965 K N 1.803 122.207 120.400 0.008 0.000 2.138 965 K HA 0.383 4.684 4.320 -0.032 0.000 0.263 965 K C -0.654 175.945 176.600 -0.001 0.000 0.965 965 K CA -0.616 55.669 56.287 -0.003 0.000 0.868 965 K CB 1.765 34.259 32.500 -0.009 0.000 1.083 965 K HN 0.453 nan 8.250 nan 0.000 0.443 966 M N 5.279 124.874 119.600 -0.008 0.000 2.188 966 M HA 0.142 4.603 4.480 -0.032 0.000 0.357 966 M C -0.099 176.198 176.300 -0.006 0.000 1.204 966 M CA -0.742 54.557 55.300 -0.001 0.000 1.095 966 M CB 0.794 33.388 32.600 -0.009 0.000 1.604 966 M HN 0.807 nan 8.290 nan 0.000 0.464 967 I N 2.576 123.150 120.570 0.007 0.000 2.556 967 I HA 0.117 4.268 4.170 -0.032 0.000 0.251 967 I C 1.093 177.225 176.117 0.024 0.000 1.105 967 I CA 1.083 62.384 61.300 0.001 0.000 1.436 967 I CB -1.120 36.880 38.000 0.001 0.000 1.139 967 I HN 0.664 nan 8.210 nan 0.000 0.438 968 H N 0.856 119.849 119.070 -0.128 0.000 3.042 968 H HA 0.410 4.947 4.556 -0.031 0.000 0.346 968 H C -1.428 173.804 175.328 -0.160 0.000 1.294 968 H CA -0.565 55.336 56.048 -0.244 0.000 1.141 968 H CB 2.779 32.245 29.762 -0.493 0.000 1.872 968 H HN 0.206 nan 8.280 nan 0.000 0.541 969 E N 2.274 122.005 120.200 -0.781 0.000 2.390 969 E HA 0.637 4.968 4.350 -0.032 0.000 0.277 969 E C -1.382 174.855 176.600 -0.605 0.000 0.939 969 E CA -1.099 55.057 56.400 -0.406 0.000 0.769 969 E CB 3.120 32.777 29.700 -0.071 0.000 1.251 969 E HN 0.789 nan 8.360 nan 0.000 0.450 970 G N 1.266 109.912 108.800 -0.255 0.000 2.411 970 G HA2 0.378 4.319 3.960 -0.032 0.000 0.295 970 G HA3 0.378 4.319 3.960 -0.032 0.000 0.295 970 G C -3.213 171.663 174.900 -0.039 0.000 1.542 970 G CA -0.949 44.132 45.100 -0.033 0.000 0.814 970 G HN 0.394 nan 8.290 nan 0.000 0.557 971 P HA 0.569 nan 4.420 nan 0.000 0.276 971 P C -1.087 176.222 177.300 0.015 0.000 1.230 971 P CA -0.250 62.888 63.100 0.063 0.000 0.776 971 P CB 1.772 33.543 31.700 0.118 0.000 0.888 972 L N 2.883 124.051 121.223 -0.091 0.000 2.493 972 L HA 0.354 4.675 4.340 -0.032 0.000 0.265 972 L C 0.004 176.787 176.870 -0.145 0.000 0.954 972 L CA -0.203 54.520 54.840 -0.195 0.000 0.844 972 L CB 1.940 43.737 42.059 -0.436 0.000 1.302 972 L HN 0.405 nan 8.230 nan 0.000 0.405 973 T N -0.708 113.772 114.554 -0.124 0.000 2.856 973 T HA 0.408 4.739 4.350 -0.032 0.000 0.292 973 T C -0.743 173.924 174.700 -0.055 0.000 0.980 973 T CA -0.458 61.598 62.100 -0.073 0.000 1.091 973 T CB 1.071 69.901 68.868 -0.062 0.000 0.936 973 T HN 0.450 nan 8.240 nan 0.000 0.503 974 W N 3.025 124.180 121.300 -0.242 0.000 2.376 974 W HA 0.537 5.180 4.660 -0.028 0.000 0.312 974 W C -0.348 176.024 176.519 -0.245 0.000 1.060 974 W CA -2.079 55.102 57.345 -0.273 0.000 1.221 974 W CB 0.870 30.158 29.460 -0.286 0.000 1.281 974 W HN 0.678 nan 8.180 nan 0.000 0.456 975 R N 6.240 126.771 120.500 0.052 0.000 3.785 975 R HA 0.169 4.490 4.340 -0.032 0.000 0.255 975 R C 1.429 177.559 176.300 -0.283 0.000 1.485 975 R CA -0.116 55.899 56.100 -0.142 0.000 1.555 975 R CB -0.246 30.006 30.300 -0.080 0.000 1.362 975 R HN 0.583 nan 8.270 nan 0.000 0.702 976 I N -1.380 118.730 120.570 -0.766 0.000 2.151 976 I HA -0.269 3.882 4.170 -0.032 0.000 0.243 976 I C 1.272 177.148 176.117 -0.403 0.000 1.080 976 I CA 1.022 61.758 61.300 -0.940 0.000 1.339 976 I CB -0.424 36.796 38.000 -1.300 0.000 1.039 976 I HN 0.314 nan 8.210 nan 0.000 0.409 977 S N -0.527 115.000 115.700 -0.289 0.000 2.740 977 S HA 0.502 4.953 4.470 -0.032 0.000 0.300 977 S C -0.490 174.045 174.600 -0.108 0.000 1.147 977 S CA -1.022 57.094 58.200 -0.140 0.000 0.871 977 S CB 1.989 65.121 63.200 -0.113 0.000 1.173 977 S HN -0.031 nan 8.310 nan 0.000 0.510 978 K N 0.643 121.006 120.400 -0.063 0.000 2.174 978 K HA 0.320 4.621 4.320 -0.032 0.000 0.275 978 K C -0.853 175.713 176.600 -0.057 0.000 1.015 978 K CA 0.539 56.795 56.287 -0.051 0.000 0.933 978 K CB 0.541 33.025 32.500 -0.027 0.000 1.025 978 K HN 0.797 nan 8.250 nan 0.000 0.463 979 D N 0.631 120.997 120.400 -0.056 0.000 3.059 979 D HA -0.173 4.448 4.640 -0.032 0.000 0.208 979 D C -0.544 175.713 176.300 -0.071 0.000 1.079 979 D CA 1.146 55.113 54.000 -0.054 0.000 0.986 979 D CB -0.896 39.878 40.800 -0.043 0.000 1.090 979 D HN 0.539 nan 8.370 nan 0.000 0.428 980 K N -0.286 120.055 120.400 -0.098 0.000 2.589 980 K HA 0.523 4.823 4.320 -0.032 0.000 0.253 980 K C -1.708 174.790 176.600 -0.171 0.000 0.974 980 K CA -0.434 55.776 56.287 -0.129 0.000 0.835 980 K CB 1.942 34.355 32.500 -0.146 0.000 1.272 980 K HN -0.050 nan 8.250 nan 0.000 0.444 981 T N 4.192 118.658 114.554 -0.148 0.000 2.887 981 T HA 0.603 4.934 4.350 -0.032 0.000 0.288 981 T C -1.399 173.213 174.700 -0.147 0.000 1.021 981 T CA -0.661 61.348 62.100 -0.151 0.000 1.000 981 T CB 0.705 69.515 68.868 -0.097 0.000 1.034 981 T HN 0.448 nan 8.240 nan 0.000 0.467 982 L N 3.079 124.217 121.223 -0.142 0.000 2.385 982 L HA 0.468 4.789 4.340 -0.032 0.000 0.273 982 L C -0.943 175.911 176.870 -0.026 0.000 0.990 982 L CA -0.910 53.871 54.840 -0.098 0.000 0.821 982 L CB 2.085 44.042 42.059 -0.170 0.000 1.279 982 L HN 0.651 nan 8.230 nan 0.000 0.412 983 D N 4.120 124.508 120.400 -0.021 0.000 2.393 983 D HA 0.431 5.052 4.640 -0.032 0.000 0.232 983 D C -0.433 175.872 176.300 0.008 0.000 1.192 983 D CA 0.162 54.158 54.000 -0.007 0.000 0.882 983 D CB 0.718 41.515 40.800 -0.005 0.000 1.038 983 D HN 0.176 nan 8.370 nan 0.000 0.499 984 L N 1.773 122.995 121.223 -0.002 0.000 2.334 984 L HA 0.426 4.747 4.340 -0.032 0.000 0.272 984 L C 0.165 177.047 176.870 0.021 0.000 1.020 984 L CA -0.963 53.875 54.840 -0.004 0.000 0.812 984 L CB 1.677 43.695 42.059 -0.067 0.000 1.264 984 L HN 0.391 nan 8.230 nan 0.000 0.439 985 H N 2.410 121.447 119.070 -0.056 0.000 2.595 985 H HA 0.430 4.965 4.556 -0.034 0.000 0.313 985 H C -1.355 173.947 175.328 -0.045 0.000 1.023 985 H CA -0.475 55.550 56.048 -0.038 0.000 1.218 985 H CB 1.827 31.555 29.762 -0.057 0.000 1.403 985 H HN 0.414 nan 8.280 nan 0.000 0.477 986 V N 5.545 125.310 119.914 -0.249 0.000 2.547 986 V HA 0.512 4.613 4.120 -0.032 0.000 0.299 986 V C -0.910 175.167 176.094 -0.028 0.000 1.040 986 V CA -0.718 61.491 62.300 -0.151 0.000 0.913 986 V CB 1.647 33.300 31.823 -0.282 0.000 0.992 986 V HN 0.610 nan 8.190 nan 0.000 0.449 987 L N 5.815 127.064 121.223 0.042 0.000 2.313 987 L HA 0.524 4.844 4.340 -0.032 0.000 0.283 987 L C -0.305 176.634 176.870 0.115 0.000 1.013 987 L CA -0.498 54.405 54.840 0.105 0.000 0.816 987 L CB 1.717 43.852 42.059 0.126 0.000 1.236 987 L HN 0.572 nan 8.230 nan 0.000 0.419 988 L N 5.276 126.599 121.223 0.166 0.000 2.259 988 L HA 0.477 4.798 4.340 -0.032 0.000 0.288 988 L C -0.438 176.475 176.870 0.072 0.000 1.051 988 L CA -0.284 54.644 54.840 0.147 0.000 0.824 988 L CB 0.750 42.942 42.059 0.222 0.000 1.206 988 L HN 0.610 nan 8.230 nan 0.000 0.429 989 L N 2.938 124.187 121.223 0.043 0.000 2.397 989 L HA 0.333 4.654 4.340 -0.032 0.000 0.266 989 L C 1.343 178.226 176.870 0.021 0.000 1.040 989 L CA -0.621 54.236 54.840 0.028 0.000 0.800 989 L CB 0.758 42.830 42.059 0.022 0.000 1.324 989 L HN 0.516 nan 8.230 nan 0.000 0.469 990 E N 0.565 120.776 120.200 0.017 0.000 2.048 990 E HA -0.266 4.065 4.350 -0.032 0.000 0.202 990 E C 0.642 177.253 176.600 0.018 0.000 1.021 990 E CA 2.183 58.592 56.400 0.015 0.000 0.825 990 E CB 0.135 29.844 29.700 0.015 0.000 0.756 990 E HN 0.790 nan 8.360 nan 0.000 0.454 991 D N -1.551 118.863 120.400 0.023 0.000 2.469 991 D HA 0.081 4.702 4.640 -0.032 0.000 0.215 991 D C 0.136 176.448 176.300 0.020 0.000 1.154 991 D CA -0.001 54.017 54.000 0.029 0.000 0.832 991 D CB 0.268 41.095 40.800 0.045 0.000 1.008 991 D HN 0.104 nan 8.370 nan 0.000 0.506 992 L N 0.331 121.552 121.223 -0.003 0.000 2.409 992 L HA 0.462 4.783 4.340 -0.032 0.000 0.262 992 L C -1.442 175.391 176.870 -0.062 0.000 0.992 992 L CA -1.297 53.510 54.840 -0.055 0.000 0.817 992 L CB 2.806 44.808 42.059 -0.095 0.000 1.350 992 L HN -0.124 nan 8.230 nan 0.000 0.411 993 L N 2.708 123.861 121.223 -0.115 0.000 2.305 993 L HA 0.583 4.904 4.340 -0.032 0.000 0.284 993 L C -0.835 175.919 176.870 -0.193 0.000 1.013 993 L CA -0.277 54.487 54.840 -0.126 0.000 0.819 993 L CB 1.697 43.663 42.059 -0.155 0.000 1.227 993 L HN 0.248 nan 8.230 nan 0.000 0.417 994 V N 6.580 126.411 119.914 -0.139 0.000 2.350 994 V HA 0.375 4.476 4.120 -0.032 0.000 0.285 994 V C -0.061 175.958 176.094 -0.125 0.000 1.014 994 V CA -0.585 61.632 62.300 -0.139 0.000 0.831 994 V CB 1.346 33.124 31.823 -0.075 0.000 1.000 994 V HN 0.528 nan 8.190 nan 0.000 0.433 995 L N 6.485 127.615 121.223 -0.155 0.000 2.288 995 L HA 0.502 4.822 4.340 -0.032 0.000 0.283 995 L C -0.421 176.440 176.870 -0.015 0.000 1.072 995 L CA -0.095 54.656 54.840 -0.147 0.000 0.862 995 L CB 0.347 42.240 42.059 -0.277 0.000 1.245 995 L HN 0.437 nan 8.230 nan 0.000 0.432 996 L N 3.016 124.242 121.223 0.004 0.000 2.325 996 L HA 0.421 4.742 4.340 -0.032 0.000 0.279 996 L C 0.097 177.001 176.870 0.057 0.000 1.054 996 L CA -0.375 54.490 54.840 0.042 0.000 0.804 996 L CB 1.578 43.647 42.059 0.016 0.000 1.200 996 L HN 0.555 nan 8.230 nan 0.000 0.436 997 Q N 3.135 122.983 119.800 0.080 0.000 2.303 997 Q HA 0.250 4.571 4.340 -0.032 0.000 0.257 997 Q C -0.962 175.053 176.000 0.025 0.000 0.941 997 Q CA -0.684 55.163 55.803 0.073 0.000 0.931 997 Q CB 1.013 29.831 28.738 0.135 0.000 1.215 997 Q HN 0.405 nan 8.270 nan 0.000 0.437 998 K N 2.951 123.355 120.400 0.007 0.000 2.401 998 K HA 0.007 4.308 4.320 -0.032 0.000 0.278 998 K C -0.093 176.497 176.600 -0.017 0.000 1.018 998 K CA -0.174 56.096 56.287 -0.029 0.000 0.981 998 K CB 1.162 33.643 32.500 -0.032 0.000 0.933 998 K HN 0.598 nan 8.250 nan 0.000 0.477 999 Q N 1.196 120.978 119.800 -0.029 0.000 2.345 999 Q HA 0.062 4.383 4.340 -0.032 0.000 0.176 999 Q C 0.320 176.305 176.000 -0.025 0.000 0.723 999 Q CA 0.432 56.224 55.803 -0.019 0.000 0.743 999 Q CB 0.556 29.285 28.738 -0.014 0.000 1.260 999 Q HN 0.694 nan 8.270 nan 0.000 0.535 1000 D N -0.994 119.389 120.400 -0.029 0.000 3.013 1000 D HA 0.083 4.704 4.640 -0.032 0.000 0.235 1000 D C 0.372 176.648 176.300 -0.041 0.000 1.540 1000 D CA 0.262 54.245 54.000 -0.029 0.000 1.303 1000 D CB 0.257 41.046 40.800 -0.019 0.000 0.980 1000 D HN 0.069 nan 8.370 nan 0.000 0.250 1001 E N 0.367 120.544 120.200 -0.038 0.000 2.465 1001 E HA 0.171 4.502 4.350 -0.032 0.000 0.195 1001 E C -0.460 176.105 176.600 -0.057 0.000 1.028 1001 E CA 0.080 56.452 56.400 -0.046 0.000 0.899 1001 E CB 0.339 30.022 29.700 -0.029 0.000 1.032 1001 E HN -0.055 nan 8.360 nan 0.000 0.468 1002 K N 0.412 120.779 120.400 -0.055 0.000 2.182 1002 K HA 0.462 4.763 4.320 -0.032 0.000 0.262 1002 K C -1.011 175.547 176.600 -0.071 0.000 0.957 1002 K CA -0.715 55.541 56.287 -0.051 0.000 0.842 1002 K CB 1.007 33.491 32.500 -0.028 0.000 1.099 1002 K HN 0.003 nan 8.250 nan 0.000 0.438 1003 L N 5.557 126.732 121.223 -0.080 0.000 2.325 1003 L HA 0.482 4.802 4.340 -0.032 0.000 0.281 1003 L C -1.048 175.803 176.870 -0.031 0.000 1.004 1003 L CA -1.085 53.705 54.840 -0.084 0.000 0.823 1003 L CB 0.936 42.895 42.059 -0.165 0.000 1.236 1003 L HN 0.383 nan 8.230 nan 0.000 0.415 1004 L N 2.749 123.973 121.223 0.001 0.000 2.381 1004 L HA 0.776 5.097 4.340 -0.032 0.000 0.274 1004 L C -0.606 176.299 176.870 0.059 0.000 0.988 1004 L CA -0.962 53.894 54.840 0.026 0.000 0.824 1004 L CB 1.389 43.463 42.059 0.026 0.000 1.263 1004 L HN 0.389 nan 8.230 nan 0.000 0.410 1005 L N 1.490 122.746 121.223 0.055 0.000 2.307 1005 L HA 0.944 5.265 4.340 -0.032 0.000 0.282 1005 L C -0.131 176.773 176.870 0.057 0.000 1.051 1005 L CA -0.305 54.584 54.840 0.082 0.000 0.804 1005 L CB 1.078 43.172 42.059 0.057 0.000 1.197 1005 L HN 0.854 nan 8.230 nan 0.000 0.431 1006 K N 1.436 121.861 120.400 0.041 0.000 2.579 1006 K HA 0.653 4.954 4.320 -0.032 0.000 0.284 1006 K C -1.417 175.084 176.600 -0.165 0.000 0.990 1006 K CA -0.842 55.394 56.287 -0.086 0.000 0.880 1006 K CB 0.915 33.309 32.500 -0.176 0.000 1.488 1006 K HN 0.585 nan 8.250 nan 0.000 0.425 1007 C N 1.669 120.903 119.300 -0.109 0.000 2.604 1007 C HA 0.358 4.799 4.460 -0.032 0.000 0.396 1007 C C -0.113 174.745 174.990 -0.221 0.000 1.282 1007 C CA -0.136 58.880 59.018 -0.003 0.000 2.292 1007 C CB -0.835 26.951 27.740 0.076 0.000 2.633 1007 C HN 0.588 nan 8.230 nan 0.000 0.620 1008 H N 0.380 119.587 119.070 0.228 0.000 2.572 1008 H HA 0.334 4.904 4.556 0.023 0.000 0.359 1008 H C -0.389 174.999 175.328 0.099 0.000 1.134 1008 H CA -0.284 55.830 56.048 0.109 0.000 1.187 1008 H CB 1.835 31.598 29.762 0.002 0.000 1.597 1008 H HN 0.544 nan 8.280 nan 0.000 0.524 1009 S N 1.719 117.491 115.700 0.119 0.000 2.580 1009 S HA 0.136 4.587 4.470 -0.032 0.000 0.274 1009 S C 0.520 175.149 174.600 0.047 0.000 1.329 1009 S CA -0.430 57.816 58.200 0.076 0.000 1.036 1009 S CB 1.171 64.386 63.200 0.026 0.000 0.919 1009 S HN 0.408 nan 8.310 nan 0.000 0.515 1022 F N 2.415 122.460 119.950 0.159 0.000 2.607 1022 F HA 0.409 4.903 4.527 -0.055 0.000 0.374 1022 F C 1.609 177.631 175.800 0.370 0.000 1.104 1022 F CA 0.415 58.589 58.000 0.291 0.000 1.296 1022 F CB 0.664 39.949 39.000 0.475 0.000 1.085 1022 F HN 0.761 nan 8.300 nan 0.000 0.584 1023 S N 4.723 120.735 115.700 0.520 0.000 2.565 1023 S HA 0.294 4.745 4.470 -0.032 0.000 0.274 1023 S C -1.338 173.486 174.600 0.372 0.000 1.309 1023 S CA -1.423 57.000 58.200 0.372 0.000 1.043 1023 S CB 0.948 64.306 63.200 0.264 0.000 0.939 1023 S HN 0.454 nan 8.310 nan 0.000 0.504 1024 P HA 0.148 nan 4.420 nan 0.000 0.249 1024 P C -0.481 176.760 177.300 -0.097 0.000 1.229 1024 P CA 0.196 63.367 63.100 0.118 0.000 0.788 1024 P CB 0.078 31.883 31.700 0.174 0.000 1.072 1025 V N 1.094 120.920 119.914 -0.145 0.000 2.487 1025 V HA 0.349 4.449 4.120 -0.032 0.000 0.298 1025 V C -0.248 175.670 176.094 -0.294 0.000 1.028 1025 V CA -0.688 61.386 62.300 -0.376 0.000 0.860 1025 V CB 2.015 33.318 31.823 -0.866 0.000 0.991 1025 V HN -0.182 nan 8.190 nan 0.000 0.427 1026 L N 5.065 126.116 121.223 -0.288 0.000 2.356 1026 L HA 0.525 4.846 4.340 -0.032 0.000 0.277 1026 L C 0.142 176.947 176.870 -0.108 0.000 0.996 1026 L CA -0.406 54.333 54.840 -0.170 0.000 0.822 1026 L CB 1.906 43.825 42.059 -0.234 0.000 1.256 1026 L HN 0.481 nan 8.230 nan 0.000 0.413 1027 K N 4.254 124.651 120.400 -0.004 0.000 2.349 1027 K HA 0.246 4.547 4.320 -0.032 0.000 0.288 1027 K C 0.733 177.346 176.600 0.022 0.000 1.058 1027 K CA -0.253 56.058 56.287 0.041 0.000 0.953 1027 K CB 1.206 33.772 32.500 0.110 0.000 0.997 1027 K HN 0.572 nan 8.250 nan 0.000 0.477 1028 L N 2.187 123.418 121.223 0.014 0.000 2.275 1028 L HA -0.216 4.105 4.340 -0.032 0.000 0.215 1028 L C 1.746 178.632 176.870 0.027 0.000 1.119 1028 L CA 0.888 55.737 54.840 0.015 0.000 0.790 1028 L CB -0.586 41.481 42.059 0.013 0.000 0.919 1028 L HN 0.660 nan 8.230 nan 0.000 0.443 1029 N N 0.694 119.414 118.700 0.034 0.000 2.571 1029 N HA -0.088 4.633 4.740 -0.032 0.000 0.189 1029 N C 0.887 176.421 175.510 0.039 0.000 1.154 1029 N CA 1.097 54.168 53.050 0.035 0.000 0.907 1029 N CB 0.023 38.532 38.487 0.036 0.000 0.977 1029 N HN 0.208 nan 8.380 nan 0.000 0.449 1030 A N -0.345 122.501 122.820 0.044 0.000 2.610 1030 A HA 0.449 4.750 4.320 -0.032 0.000 0.291 1030 A C 0.029 177.646 177.584 0.055 0.000 1.116 1030 A CA -0.230 51.837 52.037 0.050 0.000 0.963 1030 A CB -0.049 18.987 19.000 0.060 0.000 1.220 1030 A HN 0.227 nan 8.150 nan 0.000 0.530 1031 V N -2.398 117.545 119.914 0.049 0.000 2.715 1031 V HA 0.845 4.946 4.120 -0.032 0.000 0.310 1031 V C -1.115 175.016 176.094 0.061 0.000 1.054 1031 V CA -1.181 61.155 62.300 0.060 0.000 0.928 1031 V CB 1.599 33.449 31.823 0.046 0.000 1.007 1031 V HN -0.006 nan 8.190 nan 0.000 0.437 1032 L N 4.632 125.903 121.223 0.079 0.000 2.334 1032 L HA 0.624 4.945 4.340 -0.032 0.000 0.276 1032 L C -0.182 176.753 176.870 0.108 0.000 1.014 1032 L CA -0.891 53.996 54.840 0.078 0.000 0.815 1032 L CB 1.587 43.690 42.059 0.072 0.000 1.268 1032 L HN 0.553 nan 8.230 nan 0.000 0.428 1033 I N 3.841 124.469 120.570 0.097 0.000 2.331 1033 I HA 0.478 4.629 4.170 -0.032 0.000 0.292 1033 I C 0.254 176.460 176.117 0.149 0.000 0.998 1033 I CA -0.519 60.858 61.300 0.127 0.000 1.267 1033 I CB 1.012 39.049 38.000 0.062 0.000 1.386 1033 I HN 0.465 nan 8.210 nan 0.000 0.476 1034 R N 3.332 123.978 120.500 0.244 0.000 2.854 1034 R HA 0.716 5.037 4.340 -0.032 0.000 0.271 1034 R C -0.790 175.737 176.300 0.378 0.000 0.994 1034 R CA -0.882 55.376 56.100 0.263 0.000 0.945 1034 R CB 2.254 32.688 30.300 0.224 0.000 1.194 1034 R HN 0.660 nan 8.270 nan 0.000 0.476 1035 S N -0.038 115.851 115.700 0.315 0.000 2.541 1035 S HA 0.593 5.044 4.470 -0.032 0.000 0.271 1035 S C -1.268 173.489 174.600 0.261 0.000 1.133 1035 S CA -0.651 57.724 58.200 0.293 0.000 0.876 1035 S CB 1.397 64.701 63.200 0.173 0.000 1.105 1035 S HN 0.291 nan 8.310 nan 0.000 0.470 1036 V N 2.950 123.009 119.914 0.242 0.000 2.417 1036 V HA 0.811 4.912 4.120 -0.032 0.000 0.291 1036 V C 1.292 177.455 176.094 0.115 0.000 1.024 1036 V CA -0.186 62.225 62.300 0.186 0.000 0.861 1036 V CB 0.390 32.346 31.823 0.221 0.000 0.985 1036 V HN 1.073 nan 8.190 nan 0.000 0.436 1037 A N 3.081 125.954 122.820 0.089 0.000 1.858 1037 A HA -0.112 4.189 4.320 -0.032 0.000 0.216 1037 A C 2.109 179.727 177.584 0.056 0.000 1.190 1037 A CA 2.390 54.465 52.037 0.064 0.000 0.617 1037 A CB -0.979 18.052 19.000 0.051 0.000 0.827 1037 A HN 0.888 nan 8.150 nan 0.000 0.443 1038 T N -0.620 113.969 114.554 0.058 0.000 2.896 1038 T HA -0.143 4.188 4.350 -0.032 0.000 0.270 1038 T C 0.115 174.842 174.700 0.045 0.000 1.104 1038 T CA 1.613 63.742 62.100 0.049 0.000 1.115 1038 T CB -0.397 68.502 68.868 0.052 0.000 0.843 1038 T HN 0.486 nan 8.240 nan 0.000 0.523 1039 D N 0.100 120.530 120.400 0.051 0.000 2.440 1039 D HA 0.202 4.823 4.640 -0.032 0.000 0.252 1039 D C 0.726 177.047 176.300 0.035 0.000 1.180 1039 D CA -0.543 53.477 54.000 0.034 0.000 0.894 1039 D CB 1.233 42.048 40.800 0.025 0.000 1.111 1039 D HN 0.316 nan 8.370 nan 0.000 0.544 1040 K N 2.001 122.419 120.400 0.031 0.000 2.439 1040 K HA 0.078 4.379 4.320 -0.032 0.000 0.197 1040 K C 1.259 177.887 176.600 0.047 0.000 1.041 1040 K CA 0.649 56.959 56.287 0.039 0.000 0.970 1040 K CB 0.606 33.126 32.500 0.032 0.000 0.773 1040 K HN 0.106 nan 8.250 nan 0.000 0.479 1041 R N 0.056 120.574 120.500 0.031 0.000 2.250 1041 R HA 0.285 4.606 4.340 -0.032 0.000 0.194 1041 R C 0.154 176.462 176.300 0.013 0.000 0.927 1041 R CA 0.248 56.367 56.100 0.032 0.000 1.052 1041 R CB 0.793 31.094 30.300 0.001 0.000 1.055 1041 R HN 0.181 nan 8.270 nan 0.000 0.537 1042 A N 1.043 123.835 122.820 -0.046 0.000 2.294 1042 A HA 0.688 4.989 4.320 -0.032 0.000 0.330 1042 A C -0.565 176.944 177.584 -0.126 0.000 1.133 1042 A CA -0.521 51.390 52.037 -0.210 0.000 0.836 1042 A CB 0.531 19.340 19.000 -0.319 0.000 1.190 1042 A HN 0.215 nan 8.150 nan 0.000 0.492 1043 F N -1.924 117.800 119.950 -0.377 0.000 2.711 1043 F HA 0.834 5.344 4.527 -0.029 0.000 0.313 1043 F C -1.756 173.750 175.800 -0.490 0.000 1.141 1043 F CA -1.645 56.160 58.000 -0.325 0.000 0.941 1043 F CB 1.126 40.059 39.000 -0.111 0.000 1.349 1043 F HN 0.330 nan 8.300 nan 0.000 0.464 1044 F N 1.987 122.089 119.950 0.253 0.000 2.493 1044 F HA 0.666 5.172 4.527 -0.035 0.000 0.329 1044 F C -0.570 175.359 175.800 0.214 0.000 1.126 1044 F CA -0.840 57.244 58.000 0.140 0.000 0.937 1044 F CB 1.974 41.041 39.000 0.111 0.000 1.146 1044 F HN 0.303 nan 8.300 nan 0.000 0.442 1045 I N 4.839 125.611 120.570 0.337 0.000 2.330 1045 I HA 0.352 4.503 4.170 -0.032 0.000 0.289 1045 I C -0.781 175.526 176.117 0.316 0.000 1.001 1045 I CA -0.362 61.094 61.300 0.260 0.000 1.193 1045 I CB 1.112 39.180 38.000 0.113 0.000 1.345 1045 I HN 0.392 nan 8.210 nan 0.000 0.461 1046 I N 6.511 127.229 120.570 0.245 0.000 2.312 1046 I HA 0.204 4.354 4.170 -0.032 0.000 0.290 1046 I C -0.234 175.997 176.117 0.189 0.000 1.008 1046 I CA -0.076 61.359 61.300 0.224 0.000 1.226 1046 I CB 1.297 39.382 38.000 0.142 0.000 1.371 1046 I HN 0.556 nan 8.210 nan 0.000 0.468 1047 C N 5.790 125.234 119.300 0.239 0.000 2.265 1047 C HA 0.446 4.887 4.460 -0.032 0.000 0.332 1047 C C 0.738 175.807 174.990 0.131 0.000 1.248 1047 C CA -0.444 58.688 59.018 0.191 0.000 1.727 1047 C CB -0.656 27.253 27.740 0.283 0.000 2.348 1047 C HN 0.831 nan 8.230 nan 0.000 0.519 1048 T N 3.521 118.131 114.554 0.094 0.000 3.176 1048 T HA 0.088 4.419 4.350 -0.032 0.000 0.301 1048 T C 1.271 176.011 174.700 0.065 0.000 1.115 1048 T CA 0.210 62.351 62.100 0.068 0.000 1.027 1048 T CB 0.536 69.436 68.868 0.053 0.000 1.063 1048 T HN 0.896 nan 8.240 nan 0.000 0.669 1049 S N 1.909 117.649 115.700 0.066 0.000 2.447 1049 S HA -0.046 4.405 4.470 -0.032 0.000 0.233 1049 S C 0.650 175.277 174.600 0.045 0.000 1.006 1049 S CA 0.047 58.285 58.200 0.064 0.000 0.957 1049 S CB -0.561 62.675 63.200 0.061 0.000 0.773 1049 S HN 0.739 nan 8.310 nan 0.000 0.507 1050 K N -0.129 120.293 120.400 0.036 0.000 6.703 1050 K HA -0.135 4.166 4.320 -0.032 0.000 0.800 1050 K C -0.641 175.970 176.600 0.019 0.000 2.378 1050 K CA 0.607 56.910 56.287 0.027 0.000 1.724 1050 K CB -1.179 31.338 32.500 0.029 0.000 2.267 1050 K HN 0.538 nan 8.250 nan 0.000 0.261 1051 L N -0.467 120.764 121.223 0.013 0.000 3.548 1051 L HA -0.308 4.013 4.340 -0.032 0.000 0.443 1051 L C 0.512 177.385 176.870 0.005 0.000 1.286 1051 L CA 1.295 56.140 54.840 0.008 0.000 0.863 1051 L CB -1.645 40.419 42.059 0.008 0.000 1.734 1051 L HN 0.930 nan 8.230 nan 0.000 0.873 1052 G N -2.080 106.721 108.800 0.003 0.000 2.495 1052 G HA2 0.650 4.591 3.960 -0.032 0.000 0.294 1052 G HA3 0.650 4.591 3.960 -0.032 0.000 0.294 1052 G C -3.057 171.837 174.900 -0.010 0.000 1.397 1052 G CA -0.863 44.233 45.100 -0.006 0.000 0.790 1052 G HN -0.107 nan 8.290 nan 0.000 0.486 1053 P HA 0.335 nan 4.420 nan 0.000 0.268 1053 P C -2.426 174.862 177.300 -0.019 0.000 1.205 1053 P CA -0.627 62.455 63.100 -0.030 0.000 0.771 1053 P CB 0.285 31.951 31.700 -0.057 0.000 0.858 1054 P HA 0.189 nan 4.420 nan 0.000 0.276 1054 P C -0.565 176.738 177.300 0.006 0.000 1.243 1054 P CA -0.164 62.945 63.100 0.016 0.000 0.768 1054 P CB 0.439 32.154 31.700 0.025 0.000 0.856 1055 Q N 2.316 122.136 119.800 0.034 0.000 2.293 1055 Q HA 0.438 4.759 4.340 -0.032 0.000 0.251 1055 Q C -0.636 175.445 176.000 0.136 0.000 0.930 1055 Q CA 0.167 55.972 55.803 0.003 0.000 0.893 1055 Q CB 0.395 29.157 28.738 0.041 0.000 1.215 1055 Q HN 0.362 nan 8.270 nan 0.000 0.425 1056 I N 3.322 123.987 120.570 0.159 0.000 2.382 1056 I HA 0.262 4.413 4.170 -0.032 0.000 0.286 1056 I C -1.192 175.085 176.117 0.266 0.000 1.002 1056 I CA -0.652 60.798 61.300 0.251 0.000 1.135 1056 I CB 0.983 39.093 38.000 0.183 0.000 1.288 1056 I HN 0.524 nan 8.210 nan 0.000 0.448 1057 Y N 4.244 124.732 120.300 0.313 0.000 2.417 1057 Y HA 0.341 4.867 4.550 -0.039 0.000 0.336 1057 Y C 0.353 176.273 175.900 0.034 0.000 0.961 1057 Y CA -0.766 57.401 58.100 0.112 0.000 1.215 1057 Y CB 1.142 39.457 38.460 -0.241 0.000 1.120 1057 Y HN 0.511 nan 8.280 nan 0.000 0.499 1058 E N 4.811 125.134 120.200 0.206 0.000 2.105 1058 E HA 0.447 4.778 4.350 -0.032 0.000 0.285 1058 E C -1.511 174.938 176.600 -0.253 0.000 1.055 1058 E CA -0.198 56.127 56.400 -0.124 0.000 0.843 1058 E CB 0.347 30.049 29.700 0.003 0.000 1.067 1058 E HN 0.636 nan 8.360 nan 0.000 0.398 1059 L N 4.346 125.171 121.223 -0.662 0.000 2.346 1059 L HA 0.531 4.852 4.340 -0.032 0.000 0.276 1059 L C -0.977 175.399 176.870 -0.824 0.000 1.006 1059 L CA -1.237 53.137 54.840 -0.777 0.000 0.817 1059 L CB 2.071 43.478 42.059 -1.086 0.000 1.272 1059 L HN 0.340 nan 8.230 nan 0.000 0.421 1060 V N 2.160 121.780 119.914 -0.491 0.000 2.407 1060 V HA 0.585 4.686 4.120 -0.032 0.000 0.291 1060 V C 0.417 176.397 176.094 -0.191 0.000 1.018 1060 V CA -0.679 61.440 62.300 -0.302 0.000 0.842 1060 V CB 1.458 33.170 31.823 -0.184 0.000 0.996 1060 V HN 0.885 nan 8.190 nan 0.000 0.426 1061 A N 3.799 126.577 122.820 -0.070 0.000 2.346 1061 A HA 0.540 4.841 4.320 -0.032 0.000 0.252 1061 A C 1.079 178.697 177.584 0.056 0.000 1.089 1061 A CA -0.220 51.856 52.037 0.065 0.000 0.797 1061 A CB 0.206 19.337 19.000 0.218 0.000 1.047 1061 A HN 0.717 nan 8.150 nan 0.000 0.494 1062 L N 0.446 121.729 121.223 0.100 0.000 1.970 1062 L HA -0.034 4.287 4.340 -0.032 0.000 0.212 1062 L C 1.768 178.676 176.870 0.062 0.000 1.071 1062 L CA 2.756 57.641 54.840 0.075 0.000 0.751 1062 L CB -1.069 41.049 42.059 0.097 0.000 0.889 1062 L HN 0.983 nan 8.230 nan 0.000 0.432 1063 T N -5.970 108.632 114.554 0.080 0.000 2.858 1063 T HA 0.341 4.672 4.350 -0.032 0.000 0.285 1063 T C 1.054 175.797 174.700 0.071 0.000 1.052 1063 T CA -0.019 62.118 62.100 0.062 0.000 1.009 1063 T CB 1.211 70.111 68.868 0.053 0.000 1.241 1063 T HN 0.121 nan 8.240 nan 0.000 0.542 1064 S N 0.365 116.098 115.700 0.054 0.000 2.399 1064 S HA -0.153 4.298 4.470 -0.032 0.000 0.231 1064 S C 2.216 176.851 174.600 0.058 0.000 1.022 1064 S CA 1.422 59.655 58.200 0.055 0.000 0.983 1064 S CB -1.062 62.161 63.200 0.039 0.000 0.803 1064 S HN 0.921 nan 8.310 nan 0.000 0.480 1065 S N 1.558 117.288 115.700 0.049 0.000 2.402 1065 S HA -0.162 4.289 4.470 -0.032 0.000 0.229 1065 S C 1.658 176.291 174.600 0.054 0.000 1.021 1065 S CA 1.375 59.598 58.200 0.038 0.000 0.974 1065 S CB -0.762 62.454 63.200 0.026 0.000 0.800 1065 S HN 0.508 nan 8.310 nan 0.000 0.484 1066 D N 1.444 121.904 120.400 0.100 0.000 2.097 1066 D HA -0.089 4.532 4.640 -0.032 0.000 0.197 1066 D C 1.987 178.436 176.300 0.248 0.000 0.984 1066 D CA 1.375 55.482 54.000 0.179 0.000 0.826 1066 D CB -0.375 40.566 40.800 0.235 0.000 0.973 1066 D HN 0.552 nan 8.370 nan 0.000 0.460 1067 K N 0.146 120.678 120.400 0.220 0.000 2.015 1067 K HA -0.269 4.032 4.320 -0.032 0.000 0.216 1067 K C 1.667 178.315 176.600 0.080 0.000 1.052 1067 K CA 2.225 58.645 56.287 0.223 0.000 0.937 1067 K CB -0.251 32.359 32.500 0.183 0.000 0.719 1067 K HN 0.190 nan 8.250 nan 0.000 0.446 1068 N N -0.266 118.455 118.700 0.036 0.000 2.223 1068 N HA -0.117 4.603 4.740 -0.032 0.000 0.185 1068 N C 1.585 177.053 175.510 -0.070 0.000 1.016 1068 N CA 1.804 54.838 53.050 -0.027 0.000 0.863 1068 N CB -0.651 37.825 38.487 -0.018 0.000 0.983 1068 N HN 0.154 nan 8.380 nan 0.000 0.429 1069 T N -0.070 114.445 114.554 -0.066 0.000 2.622 1069 T HA -0.162 4.169 4.350 -0.032 0.000 0.266 1069 T C 1.280 175.813 174.700 -0.278 0.000 1.047 1069 T CA 1.414 63.402 62.100 -0.187 0.000 1.159 1069 T CB -0.523 68.226 68.868 -0.198 0.000 0.863 1069 T HN 0.353 nan 8.240 nan 0.000 0.422 1070 W N 1.148 122.319 121.300 -0.214 0.000 2.333 1070 W HA -0.073 4.571 4.660 -0.027 0.000 0.316 1070 W C 2.671 178.942 176.519 -0.415 0.000 1.215 1070 W CA 0.813 58.000 57.345 -0.265 0.000 1.278 1070 W CB -0.376 28.974 29.460 -0.184 0.000 1.154 1070 W HN 0.137 nan 8.180 nan 0.000 0.486 1071 M N -0.121 119.321 119.600 -0.263 0.000 2.088 1071 M HA -0.298 4.162 4.480 -0.032 0.000 0.256 1071 M C 2.084 178.281 176.300 -0.172 0.000 1.071 1071 M CA 2.046 57.158 55.300 -0.313 0.000 1.097 1071 M CB -1.383 31.069 32.600 -0.246 0.000 1.315 1071 M HN 0.188 nan 8.290 nan 0.000 0.406 1072 E N 0.492 120.605 120.200 -0.146 0.000 2.058 1072 E HA -0.194 4.137 4.350 -0.032 0.000 0.194 1072 E C 2.087 178.607 176.600 -0.133 0.000 0.997 1072 E CA 1.109 57.434 56.400 -0.125 0.000 0.801 1072 E CB -0.028 29.597 29.700 -0.124 0.000 0.746 1072 E HN 0.477 nan 8.360 nan 0.000 0.450 1073 L N 0.401 121.511 121.223 -0.188 0.000 2.141 1073 L HA -0.163 4.158 4.340 -0.032 0.000 0.209 1073 L C 2.575 179.390 176.870 -0.092 0.000 1.094 1073 L CA 0.244 54.972 54.840 -0.187 0.000 0.763 1073 L CB -0.247 41.599 42.059 -0.355 0.000 0.908 1073 L HN 0.267 nan 8.230 nan 0.000 0.437 1074 L N 0.015 121.205 121.223 -0.055 0.000 2.027 1074 L HA -0.180 4.141 4.340 -0.032 0.000 0.206 1074 L C 2.465 179.322 176.870 -0.021 0.000 1.074 1074 L CA 1.742 56.584 54.840 0.002 0.000 0.745 1074 L CB -0.573 41.478 42.059 -0.013 0.000 0.898 1074 L HN 0.203 nan 8.230 nan 0.000 0.433 1075 E N -1.024 119.146 120.200 -0.049 0.000 2.110 1075 E HA -0.268 4.063 4.350 -0.032 0.000 0.193 1075 E C 1.993 178.578 176.600 -0.026 0.000 0.988 1075 E CA 1.148 57.529 56.400 -0.033 0.000 0.804 1075 E CB 0.086 29.761 29.700 -0.041 0.000 0.745 1075 E HN 0.447 nan 8.360 nan 0.000 0.458 1076 E N 0.805 120.981 120.200 -0.039 0.000 2.047 1076 E HA -0.146 4.185 4.350 -0.032 0.000 0.191 1076 E C 1.905 178.492 176.600 -0.022 0.000 0.987 1076 E CA 1.241 57.620 56.400 -0.034 0.000 0.799 1076 E CB -0.132 29.538 29.700 -0.050 0.000 0.752 1076 E HN 0.228 nan 8.360 nan 0.000 0.449 1077 A N 0.346 123.154 122.820 -0.019 0.000 1.883 1077 A HA -0.185 4.116 4.320 -0.032 0.000 0.217 1077 A C 2.500 180.086 177.584 0.004 0.000 1.186 1077 A CA 1.798 53.832 52.037 -0.005 0.000 0.624 1077 A CB -1.163 17.841 19.000 0.007 0.000 0.822 1077 A HN 0.294 nan 8.150 nan 0.000 0.444 1078 V N -0.278 119.640 119.914 0.007 0.000 2.343 1078 V HA -0.242 3.859 4.120 -0.032 0.000 0.247 1078 V C 2.465 178.565 176.094 0.010 0.000 1.051 1078 V CA 2.618 64.926 62.300 0.013 0.000 1.036 1078 V CB -0.657 31.177 31.823 0.019 0.000 0.654 1078 V HN 0.614 nan 8.190 nan 0.000 0.451 1079 R N 0.360 120.862 120.500 0.004 0.000 2.081 1079 R HA -0.095 4.226 4.340 -0.032 0.000 0.235 1079 R C 2.154 178.455 176.300 0.003 0.000 1.131 1079 R CA 1.987 58.089 56.100 0.003 0.000 0.960 1079 R CB -0.338 29.960 30.300 -0.003 0.000 0.856 1079 R HN 0.599 nan 8.270 nan 0.000 0.436 1080 N N 0.222 118.921 118.700 -0.000 0.000 2.331 1080 N HA -0.026 4.695 4.740 -0.032 0.000 0.180 1080 N C 0.526 176.039 175.510 0.006 0.000 1.019 1080 N CA 0.857 53.907 53.050 0.000 0.000 0.881 1080 N CB -0.048 38.436 38.487 -0.004 0.000 0.972 1080 N HN 0.162 nan 8.380 nan 0.000 0.435 1081 A N 0.000 122.826 122.820 0.009 0.000 2.254 1081 A HA 0.000 4.301 4.320 -0.032 0.000 0.244 1081 A CA 0.000 52.046 52.037 0.015 0.000 0.836 1081 A CB 0.000 19.011 19.000 0.018 0.000 0.831 1081 A HN 0.000 nan 8.150 nan 0.000 0.486