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 1txd_1_A DATA FIRST_RESID 766 DATA SEQUENCE PPNWQQLVSR EVLLGLKPCE IKRQEVINEL FYTERAHVRT LKVLDQVFYQ DATA SEQUENCE RVSREGILSP SELRKIFSNL EDILQLHIGL NEQMKAVRKR NETSVIDQIG DATA SEQUENCE EDLLTWFSGP GEEKLKHAAA TFCSNQPFAL EMIKSRQKKD SRFQTFVQDA DATA SEQUENCE ESNPLCRRLQ LKDIIPTQMQ RLTKYPLLLD NIAKYTEWPT EREKVKKAAD DATA SEQUENCE HCRQILNFVN QAVKEAENKQ RLEDYQRRLD TSSLXXXXXX XVEELRNLDL DATA SEQUENCE TKRKMIHEGP LVWKVNRDKT IDLYTLLLED ILVLLQKQDD RLVLRCXXXX DATA SEQUENCE XXXXXXXXXT FSPVIKLSTV LVRQVATXNK ALFVISMSDN GAQIYELVAQ DATA SEQUENCE TVSEKTVWQD LICRMAASVK EQS 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 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P C 0.000 177.414 177.300 0.191 0.000 1.155 766 P CA 0.000 63.166 63.100 0.110 0.000 0.800 766 P CB 0.000 31.747 31.700 0.079 0.000 0.726 767 P HA 0.144 nan 4.420 nan 0.000 0.212 767 P C -0.048 177.321 177.300 0.116 0.000 1.131 767 P CA 0.576 63.839 63.100 0.270 0.000 0.901 767 P CB 0.385 32.206 31.700 0.201 0.000 0.788 768 N N -0.879 117.858 118.700 0.061 0.000 2.515 768 N HA 0.010 4.749 4.740 -0.001 0.000 0.279 768 N C 0.205 175.780 175.510 0.108 0.000 1.164 768 N CA -0.430 52.650 53.050 0.050 0.000 0.982 768 N CB 1.017 39.515 38.487 0.019 0.000 1.170 768 N HN 0.002 nan 8.380 nan 0.000 0.474 769 W N 2.687 123.978 121.300 -0.015 0.000 2.441 769 W HA -0.006 4.653 4.660 -0.001 0.000 0.302 769 W C 1.827 178.346 176.519 0.000 0.000 1.191 769 W CA 1.266 58.611 57.345 -0.001 0.000 1.327 769 W CB -0.036 29.410 29.460 -0.023 0.000 1.128 769 W HN 0.661 nan 8.180 nan 0.000 0.522 770 Q N 0.065 119.742 119.800 -0.206 0.000 2.291 770 Q HA -0.258 4.082 4.340 -0.001 0.000 0.205 770 Q C 1.993 177.777 176.000 -0.360 0.000 0.970 770 Q CA 1.512 57.032 55.803 -0.472 0.000 0.876 770 Q CB -0.337 28.352 28.738 -0.082 0.000 0.935 770 Q HN 0.296 nan 8.270 nan 0.000 0.455 771 Q N 1.164 120.835 119.800 -0.216 0.000 2.084 771 Q HA -0.150 4.190 4.340 -0.001 0.000 0.202 771 Q C 1.677 177.566 176.000 -0.185 0.000 0.978 771 Q CA 1.437 57.151 55.803 -0.149 0.000 0.844 771 Q CB -0.243 28.455 28.738 -0.068 0.000 0.898 771 Q HN 0.414 nan 8.270 nan 0.000 0.426 772 L N -0.495 120.579 121.223 -0.248 0.000 1.933 772 L HA -0.128 4.211 4.340 -0.001 0.000 0.220 772 L C 0.691 177.400 176.870 -0.270 0.000 1.078 772 L CA 0.834 55.538 54.840 -0.227 0.000 0.773 772 L CB -0.600 41.320 42.059 -0.232 0.000 0.890 772 L HN 0.033 nan 8.230 nan 0.000 0.434 773 V N 0.756 120.392 119.914 -0.463 0.000 2.763 773 V HA -0.029 4.090 4.120 -0.001 0.000 0.306 773 V C 0.752 176.701 176.094 -0.242 0.000 1.059 773 V CA -0.250 61.834 62.300 -0.360 0.000 1.138 773 V CB 0.808 32.322 31.823 -0.514 0.000 0.940 773 V HN 0.519 nan 8.190 nan 0.000 0.489 774 S N 5.581 121.195 115.700 -0.143 0.000 2.558 774 S HA 0.047 4.516 4.470 -0.001 0.000 0.293 774 S C 1.082 175.622 174.600 -0.101 0.000 1.292 774 S CA -0.100 58.041 58.200 -0.098 0.000 1.063 774 S CB 0.215 63.380 63.200 -0.059 0.000 0.831 774 S HN 0.678 nan 8.310 nan 0.000 0.499 775 R N 2.121 122.572 120.500 -0.082 0.000 2.193 775 R HA -0.082 4.257 4.340 -0.001 0.000 0.229 775 R C 1.307 177.584 176.300 -0.038 0.000 1.110 775 R CA 1.594 57.656 56.100 -0.064 0.000 0.988 775 R CB -0.256 30.015 30.300 -0.048 0.000 0.871 775 R HN 0.721 nan 8.270 nan 0.000 0.458 776 E N -0.329 119.852 120.200 -0.033 0.000 2.489 776 E HA 0.001 4.350 4.350 -0.001 0.000 0.193 776 E C 1.226 177.819 176.600 -0.011 0.000 1.057 776 E CA 0.155 56.544 56.400 -0.018 0.000 0.866 776 E CB 0.632 30.322 29.700 -0.017 0.000 0.916 776 E HN 0.001 nan 8.360 nan 0.000 0.500 777 V N -0.080 119.825 119.914 -0.015 0.000 3.379 777 V HA -0.011 4.108 4.120 -0.001 0.000 0.249 777 V C 1.457 177.564 176.094 0.021 0.000 1.184 777 V CA 0.242 62.543 62.300 0.001 0.000 1.106 777 V CB 0.189 32.011 31.823 -0.002 0.000 0.826 777 V HN 0.236 nan 8.190 nan 0.000 0.465 778 L N -0.109 121.119 121.223 0.009 0.000 2.191 778 L HA -0.080 4.259 4.340 -0.001 0.000 0.212 778 L C 2.086 178.984 176.870 0.046 0.000 1.103 778 L CA 1.794 56.660 54.840 0.043 0.000 0.769 778 L CB -0.646 41.415 42.059 0.004 0.000 0.908 778 L HN 0.250 nan 8.230 nan 0.000 0.438 779 L N -1.351 119.885 121.223 0.023 0.000 2.131 779 L HA -0.137 4.202 4.340 -0.001 0.000 0.210 779 L C 2.193 179.077 176.870 0.023 0.000 1.092 779 L CA 1.233 56.084 54.840 0.020 0.000 0.759 779 L CB -0.781 41.284 42.059 0.009 0.000 0.903 779 L HN 0.419 nan 8.230 nan 0.000 0.435 780 G N -0.703 108.112 108.800 0.025 0.000 2.712 780 G HA2 0.087 4.046 3.960 -0.001 0.000 0.212 780 G HA3 0.087 4.046 3.960 -0.001 0.000 0.212 780 G C 0.737 175.655 174.900 0.030 0.000 1.142 780 G CA -0.261 44.852 45.100 0.022 0.000 0.789 780 G HN 0.099 nan 8.290 nan 0.000 0.535 781 L N 0.703 121.956 121.223 0.050 0.000 2.350 781 L HA 0.305 4.644 4.340 -0.001 0.000 0.275 781 L C 0.596 177.493 176.870 0.045 0.000 1.099 781 L CA -0.682 54.193 54.840 0.058 0.000 0.808 781 L CB 1.247 43.370 42.059 0.107 0.000 1.149 781 L HN -0.047 nan 8.230 nan 0.000 0.442 782 K N 2.942 123.362 120.400 0.034 0.000 2.414 782 K HA 0.026 4.346 4.320 -0.001 0.000 0.272 782 K C -1.491 175.125 176.600 0.026 0.000 0.993 782 K CA -1.186 55.119 56.287 0.030 0.000 0.964 782 K CB 0.862 33.383 32.500 0.035 0.000 0.925 782 K HN 0.272 nan 8.250 nan 0.000 0.487 783 P HA -0.242 nan 4.420 nan 0.000 0.214 783 P C 1.367 178.648 177.300 -0.031 0.000 1.163 783 P CA 1.334 64.434 63.100 -0.001 0.000 0.889 783 P CB -0.172 31.532 31.700 0.006 0.000 0.790 784 C N -0.572 118.731 119.300 0.005 0.000 2.411 784 C HA -0.082 4.378 4.460 -0.001 0.000 0.279 784 C C 2.587 177.571 174.990 -0.010 0.000 1.288 784 C CA 1.040 60.069 59.018 0.018 0.000 1.764 784 C CB -2.016 25.794 27.740 0.117 0.000 1.974 784 C HN 0.139 nan 8.230 nan 0.000 0.498 785 E N 1.214 121.422 120.200 0.014 0.000 2.208 785 E HA 0.011 4.360 4.350 -0.001 0.000 0.193 785 E C 1.861 178.399 176.600 -0.104 0.000 0.988 785 E CA 1.016 57.422 56.400 0.009 0.000 0.828 785 E CB -0.626 29.103 29.700 0.048 0.000 0.763 785 E HN 0.746 nan 8.360 nan 0.000 0.478 786 I N 0.127 120.634 120.570 -0.105 0.000 2.315 786 I HA -0.244 3.926 4.170 -0.001 0.000 0.248 786 I C 2.081 177.987 176.117 -0.351 0.000 1.117 786 I CA 1.085 62.278 61.300 -0.178 0.000 1.404 786 I CB -0.036 37.961 38.000 -0.004 0.000 1.071 786 I HN 0.049 nan 8.210 nan 0.000 0.419 787 K N 0.198 120.378 120.400 -0.366 0.000 2.057 787 K HA -0.171 4.149 4.320 -0.001 0.000 0.206 787 K C 2.220 178.499 176.600 -0.535 0.000 1.050 787 K CA 1.088 57.016 56.287 -0.598 0.000 0.935 787 K CB -0.178 31.651 32.500 -1.119 0.000 0.715 787 K HN 0.106 nan 8.250 nan 0.000 0.439 788 R N 0.688 120.988 120.500 -0.335 0.000 2.103 788 R HA -0.196 4.143 4.340 -0.001 0.000 0.242 788 R C 2.103 178.221 176.300 -0.303 0.000 1.142 788 R CA 1.609 57.618 56.100 -0.152 0.000 0.960 788 R CB 0.048 30.339 30.300 -0.015 0.000 0.858 788 R HN 0.215 nan 8.270 nan 0.000 0.439 789 Q N 0.101 119.583 119.800 -0.531 0.000 2.123 789 Q HA -0.147 4.192 4.340 -0.001 0.000 0.199 789 Q C 1.880 177.355 176.000 -0.875 0.000 0.966 789 Q CA 1.390 56.660 55.803 -0.889 0.000 0.845 789 Q CB -0.019 27.650 28.738 -1.781 0.000 0.907 789 Q HN 0.516 nan 8.270 nan 0.000 0.439 790 E N 0.272 120.063 120.200 -0.681 0.000 2.077 790 E HA -0.145 4.204 4.350 -0.001 0.000 0.193 790 E C 2.100 178.555 176.600 -0.242 0.000 0.989 790 E CA 1.613 57.782 56.400 -0.384 0.000 0.800 790 E CB 0.033 29.581 29.700 -0.252 0.000 0.746 790 E HN 0.303 nan 8.360 nan 0.000 0.452 791 V N -1.089 118.701 119.914 -0.206 0.000 2.591 791 V HA -0.122 3.997 4.120 -0.001 0.000 0.249 791 V C 2.045 178.078 176.094 -0.103 0.000 1.053 791 V CA 1.099 63.348 62.300 -0.085 0.000 1.068 791 V CB -0.473 31.368 31.823 0.030 0.000 0.689 791 V HN 0.169 nan 8.190 nan 0.000 0.462 792 I N 1.127 121.570 120.570 -0.211 0.000 2.315 792 I HA -0.165 4.005 4.170 -0.001 0.000 0.248 792 I C 2.634 178.466 176.117 -0.475 0.000 1.117 792 I CA 1.654 62.761 61.300 -0.322 0.000 1.404 792 I CB -0.531 37.222 38.000 -0.413 0.000 1.071 792 I HN 0.372 nan 8.210 nan 0.000 0.419 793 N N 0.367 118.859 118.700 -0.347 0.000 2.331 793 N HA -0.186 4.554 4.740 -0.001 0.000 0.180 793 N C 1.779 177.321 175.510 0.054 0.000 1.019 793 N CA 0.869 53.824 53.050 -0.158 0.000 0.881 793 N CB 0.068 38.535 38.487 -0.034 0.000 0.972 793 N HN 0.310 nan 8.380 nan 0.000 0.435 794 E N 1.443 121.656 120.200 0.022 0.000 2.077 794 E HA -0.122 4.227 4.350 -0.001 0.000 0.193 794 E C 1.925 178.644 176.600 0.198 0.000 0.989 794 E CA 0.626 57.085 56.400 0.098 0.000 0.800 794 E CB -0.291 29.434 29.700 0.041 0.000 0.746 794 E HN 0.215 nan 8.360 nan 0.000 0.452 795 L N -0.307 121.036 121.223 0.201 0.000 2.027 795 L HA -0.073 4.267 4.340 -0.001 0.000 0.206 795 L C 1.942 179.113 176.870 0.501 0.000 1.074 795 L CA 1.725 56.770 54.840 0.343 0.000 0.745 795 L CB -0.760 41.545 42.059 0.411 0.000 0.898 795 L HN 0.087 nan 8.230 nan 0.000 0.433 796 F N -0.800 119.270 119.950 0.200 0.000 2.102 796 F HA -0.198 4.328 4.527 -0.002 0.000 0.298 796 F C 2.602 178.502 175.800 0.167 0.000 1.105 796 F CA 1.389 59.490 58.000 0.168 0.000 1.239 796 F CB -1.679 37.424 39.000 0.172 0.000 0.991 796 F HN 0.210 nan 8.300 nan 0.000 0.474 797 Y N 1.470 121.938 120.300 0.280 0.000 2.181 797 Y HA -0.266 4.284 4.550 -0.001 0.000 0.288 797 Y C 2.697 178.678 175.900 0.135 0.000 1.146 797 Y CA 2.478 60.685 58.100 0.178 0.000 1.164 797 Y CB -0.515 38.028 38.460 0.138 0.000 0.982 797 Y HN 0.139 nan 8.280 nan 0.000 0.515 798 T N -2.592 112.158 114.554 0.327 0.000 3.023 798 T HA -0.100 4.249 4.350 -0.001 0.000 0.266 798 T C 1.555 176.323 174.700 0.113 0.000 1.093 798 T CA 1.135 63.358 62.100 0.204 0.000 1.129 798 T CB -0.240 68.736 68.868 0.179 0.000 0.899 798 T HN 0.336 nan 8.240 nan 0.000 0.491 799 E N 1.634 121.922 120.200 0.147 0.000 2.106 799 E HA -0.021 4.328 4.350 -0.001 0.000 0.192 799 E C 2.392 179.034 176.600 0.071 0.000 0.984 799 E CA 0.903 57.386 56.400 0.138 0.000 0.806 799 E CB -0.241 29.546 29.700 0.145 0.000 0.750 799 E HN 0.525 nan 8.360 nan 0.000 0.458 800 R N -0.462 120.031 120.500 -0.012 0.000 2.075 800 R HA -0.055 4.284 4.340 -0.001 0.000 0.232 800 R C 2.191 178.420 176.300 -0.119 0.000 1.126 800 R CA 1.214 57.260 56.100 -0.090 0.000 0.963 800 R CB -0.329 29.873 30.300 -0.164 0.000 0.858 800 R HN 0.246 nan 8.270 nan 0.000 0.435 801 A N -0.040 122.684 122.820 -0.160 0.000 1.908 801 A HA -0.261 4.058 4.320 -0.001 0.000 0.218 801 A C 1.925 179.486 177.584 -0.039 0.000 1.181 801 A CA 1.986 53.957 52.037 -0.110 0.000 0.627 801 A CB -0.897 18.067 19.000 -0.060 0.000 0.818 801 A HN 0.564 nan 8.150 nan 0.000 0.445 802 H N -0.302 118.713 119.070 -0.092 0.000 2.290 802 H HA -0.101 4.454 4.556 -0.001 0.000 0.298 802 H C 1.914 177.164 175.328 -0.131 0.000 1.087 802 H CA 2.057 58.030 56.048 -0.124 0.000 1.291 802 H CB -0.394 29.263 29.762 -0.176 0.000 1.369 802 H HN 0.108 nan 8.280 nan 0.000 0.492 803 V N 0.736 120.587 119.914 -0.106 0.000 2.324 803 V HA -0.321 3.798 4.120 -0.001 0.000 0.250 803 V C 2.689 178.695 176.094 -0.147 0.000 1.060 803 V CA 2.382 64.608 62.300 -0.122 0.000 1.042 803 V CB -0.567 31.236 31.823 -0.033 0.000 0.650 803 V HN 0.412 nan 8.190 nan 0.000 0.450 804 R N -0.688 119.742 120.500 -0.118 0.000 2.096 804 R HA -0.151 4.188 4.340 -0.001 0.000 0.235 804 R C 2.427 178.671 176.300 -0.093 0.000 1.127 804 R CA 1.926 57.972 56.100 -0.090 0.000 0.968 804 R CB -0.409 29.846 30.300 -0.076 0.000 0.861 804 R HN 0.549 nan 8.270 nan 0.000 0.440 805 T N 1.207 115.680 114.554 -0.135 0.000 2.746 805 T HA -0.103 4.247 4.350 -0.001 0.000 0.267 805 T C 1.726 176.342 174.700 -0.139 0.000 1.039 805 T CA 1.068 63.093 62.100 -0.125 0.000 1.142 805 T CB -0.060 68.706 68.868 -0.169 0.000 0.866 805 T HN 0.168 nan 8.240 nan 0.000 0.444 806 L N 0.415 121.484 121.223 -0.256 0.000 2.093 806 L HA -0.040 4.299 4.340 -0.001 0.000 0.208 806 L C 2.581 179.395 176.870 -0.094 0.000 1.085 806 L CA 1.231 55.941 54.840 -0.216 0.000 0.755 806 L CB -0.420 41.452 42.059 -0.312 0.000 0.904 806 L HN 0.231 nan 8.230 nan 0.000 0.435 807 K N -0.412 119.940 120.400 -0.079 0.000 2.209 807 K HA -0.103 4.216 4.320 -0.001 0.000 0.204 807 K C 1.997 178.604 176.600 0.011 0.000 1.048 807 K CA 0.860 57.128 56.287 -0.032 0.000 0.940 807 K CB -0.101 32.378 32.500 -0.036 0.000 0.729 807 K HN 0.150 nan 8.250 nan 0.000 0.451 808 V N 2.056 121.985 119.914 0.025 0.000 2.244 808 V HA -0.251 3.869 4.120 -0.001 0.000 0.244 808 V C 2.304 178.524 176.094 0.209 0.000 1.042 808 V CA 1.529 63.882 62.300 0.089 0.000 1.006 808 V CB -0.488 31.393 31.823 0.097 0.000 0.641 808 V HN 0.262 nan 8.190 nan 0.000 0.446 809 L N 0.202 121.561 121.223 0.226 0.000 1.991 809 L HA -0.325 4.014 4.340 -0.001 0.000 0.221 809 L C 2.453 179.506 176.870 0.304 0.000 1.079 809 L CA 2.518 57.563 54.840 0.343 0.000 0.778 809 L CB -0.733 41.454 42.059 0.213 0.000 0.893 809 L HN 0.479 nan 8.230 nan 0.000 0.437 810 D N -1.366 119.117 120.400 0.138 0.000 2.104 810 D HA -0.215 4.424 4.640 -0.001 0.000 0.194 810 D C 2.240 178.608 176.300 0.114 0.000 0.994 810 D CA 1.316 55.370 54.000 0.090 0.000 0.830 810 D CB 0.165 40.971 40.800 0.011 0.000 0.959 810 D HN 0.184 nan 8.370 nan 0.000 0.452 811 Q N -0.483 119.365 119.800 0.080 0.000 2.204 811 Q HA 0.069 4.408 4.340 -0.001 0.000 0.198 811 Q C 2.371 178.373 176.000 0.003 0.000 0.946 811 Q CA 0.405 56.230 55.803 0.036 0.000 0.859 811 Q CB 0.154 28.898 28.738 0.009 0.000 0.946 811 Q HN 0.288 nan 8.270 nan 0.000 0.474 812 V N -0.079 119.821 119.914 -0.023 0.000 2.535 812 V HA -0.098 4.021 4.120 -0.001 0.000 0.246 812 V C 1.560 177.439 176.094 -0.358 0.000 1.045 812 V CA 1.402 63.554 62.300 -0.248 0.000 1.058 812 V CB -0.336 31.257 31.823 -0.383 0.000 0.689 812 V HN 0.117 nan 8.190 nan 0.000 0.461 813 F N -1.740 118.327 119.950 0.196 0.000 2.389 813 F HA 0.139 4.665 4.527 -0.001 0.000 0.275 813 F C 2.164 178.057 175.800 0.156 0.000 1.009 813 F CA 0.898 59.117 58.000 0.365 0.000 1.187 813 F CB -0.894 38.388 39.000 0.470 0.000 1.139 813 F HN 0.024 nan 8.300 nan 0.000 0.613 814 Y N 1.104 121.329 120.300 -0.124 0.000 2.153 814 Y HA -0.166 4.383 4.550 -0.001 0.000 0.289 814 Y C 2.514 178.247 175.900 -0.279 0.000 1.127 814 Y CA 1.568 59.257 58.100 -0.685 0.000 1.131 814 Y CB -0.479 37.455 38.460 -0.877 0.000 0.995 814 Y HN -0.047 nan 8.280 nan 0.000 0.505 815 Q N 0.699 120.431 119.800 -0.114 0.000 2.020 815 Q HA -0.183 4.157 4.340 -0.001 0.000 0.202 815 Q C 2.336 178.235 176.000 -0.169 0.000 0.982 815 Q CA 1.716 57.436 55.803 -0.138 0.000 0.838 815 Q CB -0.483 28.265 28.738 0.018 0.000 0.899 815 Q HN 0.502 nan 8.270 nan 0.000 0.423 816 R N -0.076 120.399 120.500 -0.042 0.000 2.094 816 R HA -0.108 4.231 4.340 -0.001 0.000 0.239 816 R C 2.337 178.575 176.300 -0.103 0.000 1.137 816 R CA 1.299 57.425 56.100 0.043 0.000 0.943 816 R CB -1.107 29.358 30.300 0.275 0.000 0.850 816 R HN 0.181 nan 8.270 nan 0.000 0.433 817 V N 0.781 120.488 119.914 -0.345 0.000 2.407 817 V HA -0.224 3.895 4.120 -0.001 0.000 0.248 817 V C 2.576 178.446 176.094 -0.373 0.000 1.055 817 V CA 2.191 64.087 62.300 -0.674 0.000 1.049 817 V CB -0.199 31.207 31.823 -0.697 0.000 0.662 817 V HN 0.382 nan 8.190 nan 0.000 0.455 818 S N -0.419 115.033 115.700 -0.413 0.000 2.368 818 S HA -0.193 4.276 4.470 -0.001 0.000 0.224 818 S C 2.137 176.607 174.600 -0.217 0.000 1.029 818 S CA 1.498 59.474 58.200 -0.373 0.000 0.988 818 S CB -0.363 62.444 63.200 -0.654 0.000 0.838 818 S HN 0.649 nan 8.310 nan 0.000 0.462 819 R N 0.382 120.771 120.500 -0.185 0.000 2.115 819 R HA 0.011 4.350 4.340 -0.001 0.000 0.230 819 R C 2.221 178.475 176.300 -0.078 0.000 1.111 819 R CA 1.509 57.548 56.100 -0.102 0.000 0.976 819 R CB -0.217 30.043 30.300 -0.067 0.000 0.870 819 R HN 0.576 nan 8.270 nan 0.000 0.445 820 E N -0.804 119.338 120.200 -0.096 0.000 2.358 820 E HA -0.007 4.343 4.350 -0.001 0.000 0.195 820 E C 0.824 177.389 176.600 -0.057 0.000 1.010 820 E CA 0.454 56.819 56.400 -0.058 0.000 0.856 820 E CB 0.305 29.979 29.700 -0.045 0.000 0.795 820 E HN 0.509 nan 8.360 nan 0.000 0.504 821 G N 1.219 109.969 108.800 -0.084 0.000 2.160 821 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.251 821 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.251 821 G C 0.788 175.662 174.900 -0.042 0.000 1.008 821 G CA 0.342 45.407 45.100 -0.059 0.000 0.724 821 G HN 0.179 nan 8.290 nan 0.000 0.514 822 I N -0.265 120.276 120.570 -0.049 0.000 2.315 822 I HA 0.115 4.284 4.170 -0.001 0.000 0.248 822 I C 1.887 177.993 176.117 -0.018 0.000 1.117 822 I CA 0.907 62.204 61.300 -0.006 0.000 1.404 822 I CB -0.894 37.130 38.000 0.039 0.000 1.071 822 I HN 0.280 nan 8.210 nan 0.000 0.419 823 L N 0.457 121.654 121.223 -0.044 0.000 2.360 823 L HA 0.277 4.616 4.340 -0.001 0.000 0.271 823 L C 0.896 177.742 176.870 -0.040 0.000 1.057 823 L CA -0.501 54.300 54.840 -0.065 0.000 0.803 823 L CB 1.290 43.312 42.059 -0.062 0.000 1.207 823 L HN 0.099 nan 8.230 nan 0.000 0.445 824 S N 1.109 116.784 115.700 -0.042 0.000 2.624 824 S HA 0.295 4.765 4.470 -0.001 0.000 0.263 824 S C -1.934 172.665 174.600 -0.002 0.000 1.287 824 S CA -1.021 57.166 58.200 -0.022 0.000 0.990 824 S CB 1.004 64.188 63.200 -0.027 0.000 0.950 824 S HN 0.411 nan 8.310 nan 0.000 0.561 825 P HA -0.086 nan 4.420 nan 0.000 0.216 825 P C 1.685 179.004 177.300 0.031 0.000 1.150 825 P CA 1.433 64.550 63.100 0.029 0.000 0.843 825 P CB -0.078 31.634 31.700 0.021 0.000 0.787 826 S N -1.154 114.551 115.700 0.007 0.000 2.414 826 S HA -0.115 4.354 4.470 -0.001 0.000 0.227 826 S C 1.781 176.373 174.600 -0.013 0.000 1.022 826 S CA 0.989 59.187 58.200 -0.004 0.000 0.958 826 S CB -0.611 62.578 63.200 -0.019 0.000 0.797 826 S HN 0.112 nan 8.310 nan 0.000 0.493 827 E N 1.044 121.227 120.200 -0.029 0.000 2.028 827 E HA -0.075 4.274 4.350 -0.001 0.000 0.191 827 E C 2.107 178.696 176.600 -0.019 0.000 0.988 827 E CA 1.319 57.680 56.400 -0.065 0.000 0.799 827 E CB -0.342 29.284 29.700 -0.123 0.000 0.755 827 E HN 0.421 nan 8.360 nan 0.000 0.447 828 L N 0.709 121.975 121.223 0.072 0.000 2.010 828 L HA -0.327 4.012 4.340 -0.001 0.000 0.219 828 L C 2.796 179.826 176.870 0.268 0.000 1.077 828 L CA 1.811 56.806 54.840 0.257 0.000 0.773 828 L CB -0.464 41.753 42.059 0.263 0.000 0.892 828 L HN 0.128 nan 8.230 nan 0.000 0.436 829 R N -0.067 120.525 120.500 0.153 0.000 2.081 829 R HA -0.154 4.185 4.340 -0.001 0.000 0.235 829 R C 2.319 178.649 176.300 0.051 0.000 1.131 829 R CA 1.205 57.373 56.100 0.113 0.000 0.960 829 R CB 0.020 30.356 30.300 0.059 0.000 0.856 829 R HN 0.151 nan 8.270 nan 0.000 0.436 830 K N 0.298 120.697 120.400 -0.002 0.000 2.217 830 K HA -0.037 4.282 4.320 -0.001 0.000 0.202 830 K C 1.940 178.492 176.600 -0.080 0.000 1.051 830 K CA 0.970 57.230 56.287 -0.045 0.000 0.952 830 K CB 0.084 32.551 32.500 -0.056 0.000 0.736 830 K HN 0.350 nan 8.250 nan 0.000 0.453 831 I N -1.017 119.469 120.570 -0.141 0.000 2.429 831 I HA -0.127 4.042 4.170 -0.001 0.000 0.247 831 I C 1.291 177.159 176.117 -0.415 0.000 1.099 831 I CA 0.930 62.001 61.300 -0.383 0.000 1.422 831 I CB 0.053 37.671 38.000 -0.636 0.000 1.112 831 I HN -0.062 nan 8.210 nan 0.000 0.430 832 F N 0.453 120.492 119.950 0.149 0.000 2.717 832 F HA 0.113 4.639 4.527 -0.001 0.000 0.297 832 F C 1.924 177.839 175.800 0.191 0.000 1.113 832 F CA 0.269 58.394 58.000 0.209 0.000 1.319 832 F CB -0.434 38.725 39.000 0.266 0.000 1.097 832 F HN 0.118 nan 8.300 nan 0.000 0.595 833 S N 2.172 118.036 115.700 0.274 0.000 4.137 833 S HA -0.410 4.059 4.470 -0.001 0.000 0.541 833 S C 0.906 175.624 174.600 0.197 0.000 1.855 833 S CA 1.634 59.950 58.200 0.194 0.000 4.197 833 S CB -1.637 61.647 63.200 0.139 0.000 0.627 833 S HN 0.536 nan 8.310 nan 0.000 0.490 834 N N 2.606 121.452 118.700 0.243 0.000 2.376 834 N HA 0.293 5.032 4.740 -0.001 0.000 0.249 834 N C 1.020 176.595 175.510 0.109 0.000 1.140 834 N CA 0.389 53.532 53.050 0.154 0.000 0.870 834 N CB 0.286 38.862 38.487 0.149 0.000 1.124 834 N HN 0.595 nan 8.380 nan 0.000 0.505 835 L N 0.951 122.245 121.223 0.118 0.000 2.064 835 L HA -0.215 4.124 4.340 -0.001 0.000 0.216 835 L C 2.229 178.996 176.870 -0.171 0.000 1.077 835 L CA 1.965 56.743 54.840 -0.103 0.000 0.766 835 L CB -0.640 41.391 42.059 -0.046 0.000 0.890 835 L HN 0.424 nan 8.230 nan 0.000 0.435 836 E N -1.009 119.079 120.200 -0.186 0.000 2.085 836 E HA -0.251 4.098 4.350 -0.001 0.000 0.194 836 E C 1.556 178.106 176.600 -0.084 0.000 0.994 836 E CA 1.651 57.956 56.400 -0.158 0.000 0.801 836 E CB -0.043 29.567 29.700 -0.151 0.000 0.743 836 E HN 0.650 nan 8.360 nan 0.000 0.453 837 D N 0.189 120.558 120.400 -0.051 0.000 2.213 837 D HA -0.095 4.544 4.640 -0.001 0.000 0.205 837 D C 2.171 178.458 176.300 -0.021 0.000 0.961 837 D CA 1.008 54.993 54.000 -0.025 0.000 0.853 837 D CB -0.225 40.577 40.800 0.004 0.000 0.967 837 D HN 0.468 nan 8.370 nan 0.000 0.496 838 I N -0.940 119.611 120.570 -0.032 0.000 2.353 838 I HA -0.115 4.054 4.170 -0.001 0.000 0.248 838 I C 2.328 178.489 176.117 0.074 0.000 1.119 838 I CA 0.502 61.815 61.300 0.022 0.000 1.417 838 I CB -0.403 37.572 38.000 -0.042 0.000 1.078 838 I HN -0.139 nan 8.210 nan 0.000 0.421 839 L N 1.159 122.362 121.223 -0.033 0.000 1.971 839 L HA -0.241 4.098 4.340 -0.001 0.000 0.215 839 L C 2.611 179.481 176.870 0.000 0.000 1.072 839 L CA 2.051 56.876 54.840 -0.026 0.000 0.758 839 L CB -0.954 41.059 42.059 -0.077 0.000 0.889 839 L HN 0.232 nan 8.230 nan 0.000 0.433 840 Q N -0.499 119.284 119.800 -0.028 0.000 2.124 840 Q HA -0.187 4.153 4.340 -0.001 0.000 0.202 840 Q C 2.312 178.282 176.000 -0.051 0.000 0.977 840 Q CA 1.972 57.753 55.803 -0.037 0.000 0.850 840 Q CB -0.723 27.990 28.738 -0.041 0.000 0.901 840 Q HN 0.660 nan 8.270 nan 0.000 0.429 841 L N -0.202 120.983 121.223 -0.063 0.000 2.017 841 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 841 L C 2.220 178.973 176.870 -0.195 0.000 1.073 841 L CA 1.559 56.313 54.840 -0.144 0.000 0.745 841 L CB -0.226 41.723 42.059 -0.183 0.000 0.894 841 L HN 0.326 nan 8.230 nan 0.000 0.432 842 H N -0.433 118.625 119.070 -0.020 0.000 2.428 842 H HA -0.061 4.494 4.556 -0.001 0.000 0.296 842 H C 2.393 177.691 175.328 -0.050 0.000 1.062 842 H CA 1.778 57.830 56.048 0.007 0.000 1.350 842 H CB 0.068 29.912 29.762 0.136 0.000 1.403 842 H HN 0.436 nan 8.280 nan 0.000 0.533 843 I N 0.269 120.865 120.570 0.042 0.000 2.179 843 I HA -0.186 3.983 4.170 -0.001 0.000 0.242 843 I C 2.812 178.879 176.117 -0.084 0.000 1.088 843 I CA 1.293 62.577 61.300 -0.026 0.000 1.357 843 I CB -0.443 37.538 38.000 -0.031 0.000 1.051 843 I HN 0.219 nan 8.210 nan 0.000 0.409 844 G N 0.835 109.573 108.800 -0.104 0.000 2.422 844 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.218 844 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.218 844 G C 1.620 176.381 174.900 -0.231 0.000 1.146 844 G CA 0.603 45.618 45.100 -0.141 0.000 0.769 844 G HN 0.247 nan 8.290 nan 0.000 0.547 845 L N 1.248 122.295 121.223 -0.294 0.000 2.056 845 L HA 0.003 4.342 4.340 -0.001 0.000 0.207 845 L C 2.193 178.749 176.870 -0.523 0.000 1.078 845 L CA 2.164 56.698 54.840 -0.510 0.000 0.749 845 L CB -0.999 40.786 42.059 -0.457 0.000 0.901 845 L HN 0.332 nan 8.230 nan 0.000 0.433 846 N N -0.746 117.780 118.700 -0.290 0.000 2.149 846 N HA -0.214 4.525 4.740 -0.001 0.000 0.188 846 N C 1.526 176.887 175.510 -0.248 0.000 1.019 846 N CA 1.265 54.169 53.050 -0.243 0.000 0.857 846 N CB 0.133 38.554 38.487 -0.109 0.000 0.997 846 N HN 0.409 nan 8.380 nan 0.000 0.426 847 E N 0.919 121.000 120.200 -0.199 0.000 2.150 847 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 847 E C 1.909 178.412 176.600 -0.161 0.000 0.985 847 E CA 0.862 57.175 56.400 -0.145 0.000 0.814 847 E CB -0.197 29.442 29.700 -0.101 0.000 0.752 847 E HN 0.572 nan 8.360 nan 0.000 0.466 848 Q N -0.417 119.241 119.800 -0.237 0.000 2.172 848 Q HA 0.022 4.361 4.340 -0.001 0.000 0.200 848 Q C 2.176 178.074 176.000 -0.170 0.000 0.964 848 Q CA 0.896 56.613 55.803 -0.142 0.000 0.855 848 Q CB -0.039 28.618 28.738 -0.136 0.000 0.918 848 Q HN 0.250 nan 8.270 nan 0.000 0.444 849 M N 0.116 119.404 119.600 -0.521 0.000 2.156 849 M HA -0.150 4.330 4.480 -0.001 0.000 0.264 849 M C 1.970 177.991 176.300 -0.466 0.000 1.067 849 M CA 1.388 56.194 55.300 -0.823 0.000 1.131 849 M CB -0.002 31.824 32.600 -1.290 0.000 1.368 849 M HN -0.046 nan 8.290 nan 0.000 0.416 850 K N 0.341 120.592 120.400 -0.248 0.000 2.074 850 K HA -0.150 4.169 4.320 -0.001 0.000 0.209 850 K C 1.931 178.542 176.600 0.018 0.000 1.048 850 K CA 1.726 57.979 56.287 -0.057 0.000 0.926 850 K CB -0.263 32.212 32.500 -0.042 0.000 0.713 850 K HN 0.336 nan 8.250 nan 0.000 0.444 851 A N 0.245 123.068 122.820 0.005 0.000 1.968 851 A HA -0.071 4.249 4.320 -0.001 0.000 0.217 851 A C 2.223 179.870 177.584 0.104 0.000 1.169 851 A CA 1.053 53.121 52.037 0.052 0.000 0.638 851 A CB -0.373 18.651 19.000 0.041 0.000 0.812 851 A HN 0.088 nan 8.150 nan 0.000 0.446 852 V N 0.268 120.269 119.914 0.146 0.000 2.407 852 V HA -0.258 3.861 4.120 -0.001 0.000 0.248 852 V C 2.639 178.885 176.094 0.254 0.000 1.055 852 V CA 2.139 64.578 62.300 0.231 0.000 1.049 852 V CB -0.748 31.297 31.823 0.370 0.000 0.662 852 V HN 0.520 nan 8.190 nan 0.000 0.455 853 R N 0.015 120.683 120.500 0.279 0.000 2.115 853 R HA -0.106 4.233 4.340 -0.001 0.000 0.226 853 R C 2.299 178.702 176.300 0.172 0.000 1.100 853 R CA 1.000 57.260 56.100 0.267 0.000 0.980 853 R CB -0.285 30.190 30.300 0.291 0.000 0.875 853 R HN 0.422 nan 8.270 nan 0.000 0.445 854 K N 1.331 121.810 120.400 0.132 0.000 2.555 854 K HA -0.050 4.269 4.320 -0.001 0.000 0.193 854 K C 1.603 178.253 176.600 0.083 0.000 1.032 854 K CA 0.534 56.876 56.287 0.092 0.000 1.004 854 K CB 0.146 32.688 32.500 0.069 0.000 0.804 854 K HN 0.082 nan 8.250 nan 0.000 0.496 855 R N 0.796 121.355 120.500 0.099 0.000 2.148 855 R HA -0.072 4.267 4.340 -0.001 0.000 0.227 855 R C 0.070 176.414 176.300 0.073 0.000 1.103 855 R CA 1.015 57.165 56.100 0.083 0.000 0.983 855 R CB -0.194 30.162 30.300 0.094 0.000 0.874 855 R HN 0.357 nan 8.270 nan 0.000 0.451 856 N N -1.402 117.348 118.700 0.083 0.000 2.277 856 N HA -0.020 4.719 4.740 -0.001 0.000 0.286 856 N C -0.267 175.283 175.510 0.067 0.000 1.140 856 N CA -0.724 52.367 53.050 0.069 0.000 0.799 856 N CB 1.384 39.912 38.487 0.069 0.000 1.596 856 N HN -0.139 nan 8.380 nan 0.000 0.473 857 E N 0.290 120.519 120.200 0.049 0.000 2.338 857 E HA -0.156 4.194 4.350 -0.001 0.000 0.197 857 E C 0.475 177.097 176.600 0.036 0.000 1.007 857 E CA 1.581 58.004 56.400 0.039 0.000 0.849 857 E CB -0.154 29.561 29.700 0.025 0.000 0.774 857 E HN 0.767 nan 8.360 nan 0.000 0.506 858 T N -1.853 112.728 114.554 0.045 0.000 2.897 858 T HA -0.141 4.208 4.350 -0.001 0.000 0.271 858 T C 1.378 176.106 174.700 0.047 0.000 1.084 858 T CA 0.937 63.062 62.100 0.042 0.000 1.123 858 T CB -0.407 68.498 68.868 0.061 0.000 0.865 858 T HN 0.208 nan 8.240 nan 0.000 0.496 859 S N -1.091 114.659 115.700 0.083 0.000 2.981 859 S HA -0.157 4.312 4.470 -0.001 0.000 0.274 859 S C 0.419 175.179 174.600 0.267 0.000 1.297 859 S CA 0.621 58.896 58.200 0.126 0.000 1.266 859 S CB -2.321 60.889 63.200 0.018 0.000 1.542 859 S HN 0.613 nan 8.310 nan 0.000 0.674 860 V N 2.208 122.272 119.914 0.249 0.000 2.488 860 V HA 0.372 4.491 4.120 -0.001 0.000 0.277 860 V C 0.467 176.700 176.094 0.231 0.000 1.046 860 V CA -0.150 62.348 62.300 0.330 0.000 0.986 860 V CB 0.885 32.860 31.823 0.254 0.000 0.989 860 V HN 0.332 nan 8.190 nan 0.000 0.475 861 I N 4.824 125.521 120.570 0.211 0.000 2.396 861 I HA 0.295 4.464 4.170 -0.001 0.000 0.292 861 I C 0.772 176.972 176.117 0.139 0.000 0.999 861 I CA 0.199 61.598 61.300 0.165 0.000 1.310 861 I CB 1.015 39.092 38.000 0.129 0.000 1.404 861 I HN 0.625 nan 8.210 nan 0.000 0.496 862 D N 3.294 123.778 120.400 0.141 0.000 2.567 862 D HA 0.128 4.768 4.640 -0.001 0.000 0.272 862 D C 0.092 176.510 176.300 0.197 0.000 1.208 862 D CA -0.033 54.055 54.000 0.148 0.000 1.046 862 D CB 0.082 40.945 40.800 0.105 0.000 0.949 862 D HN 0.345 nan 8.370 nan 0.000 0.264 863 Q N 0.598 120.514 119.800 0.193 0.000 2.327 863 Q HA 0.272 4.611 4.340 -0.001 0.000 0.254 863 Q C 0.428 176.492 176.000 0.107 0.000 0.952 863 Q CA 0.175 56.100 55.803 0.203 0.000 0.884 863 Q CB 2.262 31.110 28.738 0.183 0.000 1.224 863 Q HN 0.408 nan 8.270 nan 0.000 0.422 864 I N 0.157 120.759 120.570 0.054 0.000 4.779 864 I HA 0.051 4.221 4.170 -0.001 0.000 0.339 864 I C 1.450 177.506 176.117 -0.101 0.000 1.293 864 I CA 0.288 61.584 61.300 -0.007 0.000 1.324 864 I CB 0.512 38.551 38.000 0.066 0.000 1.424 864 I HN 0.759 nan 8.210 nan 0.000 0.489 865 G N 0.959 109.710 108.800 -0.081 0.000 2.505 865 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.220 865 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.220 865 G C 1.271 176.085 174.900 -0.143 0.000 1.145 865 G CA 1.352 46.392 45.100 -0.100 0.000 0.761 865 G HN 0.353 nan 8.290 nan 0.000 0.571 866 E N 0.801 120.914 120.200 -0.145 0.000 2.106 866 E HA -0.061 4.288 4.350 -0.001 0.000 0.192 866 E C 2.112 178.521 176.600 -0.317 0.000 0.984 866 E CA 1.165 57.463 56.400 -0.170 0.000 0.806 866 E CB -0.158 29.475 29.700 -0.112 0.000 0.750 866 E HN 0.412 nan 8.360 nan 0.000 0.458 867 D N 0.021 120.147 120.400 -0.457 0.000 2.117 867 D HA -0.147 4.493 4.640 -0.001 0.000 0.198 867 D C 2.058 177.523 176.300 -1.392 0.000 0.982 867 D CA 0.865 54.294 54.000 -0.952 0.000 0.828 867 D CB -0.190 39.999 40.800 -1.018 0.000 0.967 867 D HN 0.274 nan 8.370 nan 0.000 0.464 868 L N 0.590 121.320 121.223 -0.820 0.000 2.127 868 L HA -0.143 4.197 4.340 -0.001 0.000 0.211 868 L C 2.631 179.407 176.870 -0.158 0.000 1.089 868 L CA 0.605 55.251 54.840 -0.323 0.000 0.757 868 L CB -0.345 41.730 42.059 0.026 0.000 0.899 868 L HN 0.024 nan 8.230 nan 0.000 0.434 869 L N -0.951 120.147 121.223 -0.208 0.000 2.109 869 L HA -0.150 4.189 4.340 -0.001 0.000 0.207 869 L C 2.585 179.335 176.870 -0.200 0.000 1.086 869 L CA 1.216 55.973 54.840 -0.137 0.000 0.760 869 L CB -0.657 41.338 42.059 -0.107 0.000 0.910 869 L HN 0.249 nan 8.230 nan 0.000 0.437 870 T N -1.339 113.031 114.554 -0.307 0.000 2.788 870 T HA -0.166 4.183 4.350 -0.001 0.000 0.268 870 T C 1.474 176.077 174.700 -0.161 0.000 1.044 870 T CA 1.128 63.080 62.100 -0.247 0.000 1.139 870 T CB -0.198 68.502 68.868 -0.280 0.000 0.867 870 T HN 0.351 nan 8.240 nan 0.000 0.454 871 W N 0.223 121.287 121.300 -0.394 0.000 2.453 871 W HA 0.271 4.930 4.660 -0.001 0.000 0.289 871 W C 1.022 177.071 176.519 -0.784 0.000 1.215 871 W CA 0.051 56.952 57.345 -0.740 0.000 1.297 871 W CB -0.764 27.965 29.460 -1.218 0.000 1.113 871 W HN 0.248 nan 8.180 nan 0.000 0.551 872 F N -0.239 119.731 119.950 0.033 0.000 2.772 872 F HA 0.186 4.712 4.527 -0.001 0.000 0.316 872 F C 0.774 176.468 175.800 -0.176 0.000 1.114 872 F CA -0.618 57.349 58.000 -0.055 0.000 1.191 872 F CB -0.575 38.414 39.000 -0.020 0.000 1.065 872 F HN -0.332 nan 8.300 nan 0.000 0.534 873 S N -1.659 113.949 115.700 -0.154 0.000 2.697 873 S HA 0.852 5.321 4.470 -0.001 0.000 0.289 873 S C 0.478 174.925 174.600 -0.256 0.000 1.149 873 S CA -0.363 57.563 58.200 -0.455 0.000 0.850 873 S CB 1.640 64.412 63.200 -0.714 0.000 1.151 873 S HN 0.643 nan 8.310 nan 0.000 0.491 874 G N 1.516 110.170 108.800 -0.242 0.000 2.582 874 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.288 874 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.288 874 G C -1.851 172.989 174.900 -0.100 0.000 1.247 874 G CA 0.312 45.333 45.100 -0.131 0.000 0.972 874 G HN 0.709 nan 8.290 nan 0.000 0.557 875 P HA 0.018 nan 4.420 nan 0.000 0.219 875 P C 1.955 179.214 177.300 -0.069 0.000 1.146 875 P CA 2.328 65.386 63.100 -0.070 0.000 0.808 875 P CB -0.449 31.214 31.700 -0.062 0.000 0.779 876 G N 0.100 108.853 108.800 -0.078 0.000 2.404 876 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.215 876 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.215 876 G C 1.586 176.454 174.900 -0.054 0.000 1.174 876 G CA 0.742 45.794 45.100 -0.080 0.000 0.780 876 G HN 0.314 nan 8.290 nan 0.000 0.537 877 E N 0.368 120.538 120.200 -0.049 0.000 2.058 877 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 877 E C 2.291 178.880 176.600 -0.018 0.000 0.997 877 E CA 1.357 57.748 56.400 -0.014 0.000 0.801 877 E CB -0.099 29.566 29.700 -0.058 0.000 0.746 877 E HN 0.392 nan 8.360 nan 0.000 0.450 878 E N 0.699 120.880 120.200 -0.032 0.000 2.077 878 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 878 E C 2.045 178.676 176.600 0.052 0.000 0.989 878 E CA 1.120 57.526 56.400 0.009 0.000 0.800 878 E CB -0.262 29.410 29.700 -0.047 0.000 0.746 878 E HN 0.303 nan 8.360 nan 0.000 0.452 879 K N 0.735 121.131 120.400 -0.005 0.000 2.026 879 K HA -0.153 4.166 4.320 -0.001 0.000 0.208 879 K C 2.265 178.888 176.600 0.037 0.000 1.048 879 K CA 0.848 57.134 56.287 -0.002 0.000 0.929 879 K CB -0.113 32.362 32.500 -0.042 0.000 0.713 879 K HN 0.011 nan 8.250 nan 0.000 0.439 880 L N 2.111 123.347 121.223 0.022 0.000 2.027 880 L HA -0.149 4.190 4.340 -0.001 0.000 0.206 880 L C 2.323 179.255 176.870 0.104 0.000 1.074 880 L CA 1.969 56.835 54.840 0.044 0.000 0.745 880 L CB -0.653 41.434 42.059 0.047 0.000 0.898 880 L HN 0.240 nan 8.230 nan 0.000 0.433 881 K N -1.873 118.573 120.400 0.076 0.000 2.057 881 K HA -0.218 4.101 4.320 -0.001 0.000 0.207 881 K C 2.003 178.677 176.600 0.123 0.000 1.049 881 K CA 1.790 58.114 56.287 0.061 0.000 0.931 881 K CB -0.812 31.580 32.500 -0.180 0.000 0.714 881 K HN 0.510 nan 8.250 nan 0.000 0.440 882 H N 0.244 119.349 119.070 0.059 0.000 2.423 882 H HA 0.012 4.567 4.556 -0.001 0.000 0.297 882 H C 2.205 177.631 175.328 0.163 0.000 1.075 882 H CA 1.378 57.522 56.048 0.160 0.000 1.342 882 H CB 0.183 29.993 29.762 0.079 0.000 1.395 882 H HN 0.501 nan 8.280 nan 0.000 0.530 883 A N 1.105 124.065 122.820 0.234 0.000 1.874 883 A HA 0.062 4.381 4.320 -0.001 0.000 0.214 883 A C 2.632 180.350 177.584 0.222 0.000 1.189 883 A CA 1.122 53.270 52.037 0.187 0.000 0.615 883 A CB -0.639 18.431 19.000 0.116 0.000 0.830 883 A HN 0.381 nan 8.150 nan 0.000 0.443 884 A N -0.111 122.844 122.820 0.226 0.000 1.972 884 A HA 0.195 4.514 4.320 -0.001 0.000 0.219 884 A C 2.392 180.131 177.584 0.259 0.000 1.169 884 A CA 1.895 54.093 52.037 0.268 0.000 0.635 884 A CB -0.788 18.367 19.000 0.259 0.000 0.810 884 A HN 0.966 nan 8.150 nan 0.000 0.446 885 A N -1.146 121.817 122.820 0.238 0.000 1.929 885 A HA -0.019 4.301 4.320 -0.001 0.000 0.216 885 A C 2.290 179.958 177.584 0.139 0.000 1.176 885 A CA 2.125 54.266 52.037 0.172 0.000 0.628 885 A CB -0.996 18.120 19.000 0.194 0.000 0.816 885 A HN 0.406 nan 8.150 nan 0.000 0.444 886 T N -0.897 113.766 114.554 0.181 0.000 2.668 886 T HA -0.073 4.276 4.350 -0.001 0.000 0.262 886 T C 1.630 176.434 174.700 0.175 0.000 1.045 886 T CA 1.468 63.662 62.100 0.157 0.000 1.152 886 T CB -0.425 68.545 68.868 0.170 0.000 0.864 886 T HN 0.412 nan 8.240 nan 0.000 0.419 887 F N 1.542 121.550 119.950 0.097 0.000 2.043 887 F HA -0.224 4.302 4.527 -0.002 0.000 0.297 887 F C 2.506 178.359 175.800 0.088 0.000 1.121 887 F CA 1.187 59.245 58.000 0.096 0.000 1.199 887 F CB -0.702 38.364 39.000 0.111 0.000 0.968 887 F HN 0.192 nan 8.300 nan 0.000 0.478 888 C N -0.186 119.209 119.300 0.158 0.000 2.450 888 C HA -0.081 4.378 4.460 -0.001 0.000 0.279 888 C C 3.113 178.086 174.990 -0.029 0.000 1.335 888 C CA 1.151 60.195 59.018 0.043 0.000 1.749 888 C CB -1.557 26.268 27.740 0.141 0.000 1.963 888 C HN 0.686 nan 8.230 nan 0.000 0.501 889 S N 1.313 117.020 115.700 0.011 0.000 2.453 889 S HA -0.115 4.354 4.470 -0.001 0.000 0.231 889 S C 1.472 176.118 174.600 0.076 0.000 1.005 889 S CA 1.491 59.704 58.200 0.021 0.000 0.949 889 S CB -0.688 62.527 63.200 0.025 0.000 0.774 889 S HN 0.596 nan 8.310 nan 0.000 0.510 890 N N 1.818 120.542 118.700 0.041 0.000 2.494 890 N HA -0.036 4.703 4.740 -0.001 0.000 0.182 890 N C 1.710 177.226 175.510 0.010 0.000 1.076 890 N CA 0.811 53.923 53.050 0.104 0.000 0.908 890 N CB -0.459 38.008 38.487 -0.034 0.000 0.967 890 N HN 0.714 nan 8.380 nan 0.000 0.449 891 Q N 0.330 120.042 119.800 -0.147 0.000 2.096 891 Q HA -0.110 4.229 4.340 -0.001 0.000 0.208 891 Q C -0.939 174.964 176.000 -0.161 0.000 0.993 891 Q CA 1.810 57.492 55.803 -0.202 0.000 0.862 891 Q CB -0.605 28.020 28.738 -0.188 0.000 0.915 891 Q HN 0.333 nan 8.270 nan 0.000 0.416 892 P HA -0.112 nan 4.420 nan 0.000 0.217 892 P C 0.599 177.710 177.300 -0.315 0.000 1.151 892 P CA 1.185 64.108 63.100 -0.295 0.000 0.828 892 P CB -0.204 31.239 31.700 -0.427 0.000 0.788 893 F N 0.435 120.310 119.950 -0.124 0.000 2.171 893 F HA -0.075 4.451 4.527 -0.002 0.000 0.300 893 F C 2.523 178.244 175.800 -0.132 0.000 1.090 893 F CA 1.357 59.287 58.000 -0.116 0.000 1.293 893 F CB -1.486 37.451 39.000 -0.105 0.000 1.013 893 F HN -0.093 nan 8.300 nan 0.000 0.486 894 A N -0.169 122.651 122.820 -0.001 0.000 1.970 894 A HA 0.015 4.334 4.320 -0.001 0.000 0.216 894 A C 2.160 179.677 177.584 -0.112 0.000 1.170 894 A CA 0.851 52.831 52.037 -0.095 0.000 0.645 894 A CB -0.800 18.094 19.000 -0.176 0.000 0.816 894 A HN 0.379 nan 8.150 nan 0.000 0.447 895 L N -0.790 120.369 121.223 -0.107 0.000 2.240 895 L HA -0.095 4.244 4.340 -0.001 0.000 0.211 895 L C 2.515 179.344 176.870 -0.068 0.000 1.106 895 L CA 1.617 56.402 54.840 -0.091 0.000 0.793 895 L CB -0.277 41.723 42.059 -0.097 0.000 0.927 895 L HN 0.558 nan 8.230 nan 0.000 0.446 896 E N 0.320 120.476 120.200 -0.074 0.000 2.170 896 E HA -0.219 4.130 4.350 -0.001 0.000 0.191 896 E C 2.046 178.621 176.600 -0.041 0.000 0.981 896 E CA 0.799 57.164 56.400 -0.059 0.000 0.830 896 E CB -0.001 29.652 29.700 -0.079 0.000 0.775 896 E HN 0.170 nan 8.360 nan 0.000 0.470 897 M N 0.246 119.816 119.600 -0.048 0.000 2.156 897 M HA 0.077 4.556 4.480 -0.001 0.000 0.264 897 M C 1.717 177.962 176.300 -0.091 0.000 1.067 897 M CA 1.358 56.613 55.300 -0.074 0.000 1.131 897 M CB -0.323 32.221 32.600 -0.094 0.000 1.368 897 M HN 0.264 nan 8.290 nan 0.000 0.416 898 I N -0.036 120.503 120.570 -0.052 0.000 2.118 898 I HA -0.392 3.777 4.170 -0.001 0.000 0.241 898 I C 2.249 178.450 176.117 0.141 0.000 1.070 898 I CA 1.558 62.910 61.300 0.087 0.000 1.327 898 I CB -0.646 37.410 38.000 0.093 0.000 1.034 898 I HN 0.278 nan 8.210 nan 0.000 0.405 899 K N 0.568 121.005 120.400 0.061 0.000 2.063 899 K HA -0.182 4.137 4.320 -0.001 0.000 0.208 899 K C 2.343 178.974 176.600 0.053 0.000 1.048 899 K CA 1.997 58.319 56.287 0.059 0.000 0.928 899 K CB -0.329 32.181 32.500 0.018 0.000 0.713 899 K HN 0.485 nan 8.250 nan 0.000 0.442 900 S N 0.800 116.508 115.700 0.014 0.000 2.387 900 S HA -0.044 4.426 4.470 -0.001 0.000 0.226 900 S C 1.940 176.540 174.600 -0.000 0.000 1.026 900 S CA 0.417 58.617 58.200 0.001 0.000 0.972 900 S CB -0.047 63.141 63.200 -0.021 0.000 0.814 900 S HN 0.137 nan 8.310 nan 0.000 0.477 901 R N 1.520 121.996 120.500 -0.040 0.000 2.115 901 R HA 0.155 4.495 4.340 -0.001 0.000 0.226 901 R C 2.463 178.883 176.300 0.199 0.000 1.100 901 R CA 1.185 57.242 56.100 -0.071 0.000 0.980 901 R CB -1.067 28.910 30.300 -0.537 0.000 0.875 901 R HN 0.652 nan 8.270 nan 0.000 0.445 902 Q N 0.404 120.386 119.800 0.304 0.000 2.124 902 Q HA -0.113 4.227 4.340 -0.001 0.000 0.202 902 Q C 2.028 178.121 176.000 0.154 0.000 0.977 902 Q CA 1.377 57.352 55.803 0.288 0.000 0.850 902 Q CB -0.066 28.795 28.738 0.204 0.000 0.901 902 Q HN 0.244 nan 8.270 nan 0.000 0.429 903 K N 0.760 121.222 120.400 0.104 0.000 2.228 903 K HA -0.113 4.206 4.320 -0.001 0.000 0.202 903 K C 1.282 177.916 176.600 0.056 0.000 1.051 903 K CA 1.049 57.375 56.287 0.065 0.000 0.960 903 K CB 0.280 32.806 32.500 0.043 0.000 0.743 903 K HN -0.022 nan 8.250 nan 0.000 0.458 904 K N -0.508 119.926 120.400 0.057 0.000 2.399 904 K HA 0.029 4.348 4.320 -0.001 0.000 0.196 904 K C -0.391 176.242 176.600 0.054 0.000 1.103 904 K CA 0.120 56.432 56.287 0.042 0.000 0.986 904 K CB 0.691 33.203 32.500 0.020 0.000 0.952 904 K HN -0.041 nan 8.250 nan 0.000 0.541 905 D N -0.013 120.441 120.400 0.089 0.000 2.420 905 D HA 0.190 4.830 4.640 -0.001 0.000 0.255 905 D C 0.166 176.556 176.300 0.150 0.000 1.185 905 D CA -0.157 53.907 54.000 0.108 0.000 0.904 905 D CB 1.284 42.147 40.800 0.106 0.000 1.102 905 D HN -0.198 nan 8.370 nan 0.000 0.534 906 S N 2.713 118.476 115.700 0.105 0.000 2.400 906 S HA -0.236 4.233 4.470 -0.001 0.000 0.234 906 S C 1.774 176.445 174.600 0.119 0.000 1.049 906 S CA 1.264 59.522 58.200 0.097 0.000 1.039 906 S CB 0.009 63.249 63.200 0.066 0.000 0.856 906 S HN 0.574 nan 8.310 nan 0.000 0.465 907 R N -0.659 119.921 120.500 0.134 0.000 2.115 907 R HA -0.019 4.320 4.340 -0.001 0.000 0.230 907 R C 1.985 178.419 176.300 0.224 0.000 1.111 907 R CA 1.267 57.455 56.100 0.147 0.000 0.976 907 R CB -0.372 30.001 30.300 0.123 0.000 0.870 907 R HN 0.472 nan 8.270 nan 0.000 0.445 908 F N 1.851 121.864 119.950 0.105 0.000 2.317 908 F HA -0.010 4.516 4.527 -0.001 0.000 0.293 908 F C 2.628 178.543 175.800 0.193 0.000 1.085 908 F CA 0.839 58.931 58.000 0.154 0.000 1.390 908 F CB -0.036 39.020 39.000 0.094 0.000 1.077 908 F HN -0.148 nan 8.300 nan 0.000 0.517 909 Q N 0.383 120.273 119.800 0.149 0.000 2.061 909 Q HA -0.182 4.157 4.340 -0.001 0.000 0.204 909 Q C 2.030 178.019 176.000 -0.018 0.000 0.984 909 Q CA 2.544 58.368 55.803 0.034 0.000 0.846 909 Q CB -0.635 28.153 28.738 0.083 0.000 0.902 909 Q HN 0.395 nan 8.270 nan 0.000 0.421 910 T N 0.988 115.561 114.554 0.033 0.000 2.652 910 T HA -0.169 4.181 4.350 -0.001 0.000 0.267 910 T C 1.487 176.177 174.700 -0.017 0.000 1.039 910 T CA 1.483 63.592 62.100 0.015 0.000 1.153 910 T CB -0.653 68.243 68.868 0.047 0.000 0.863 910 T HN 0.386 nan 8.240 nan 0.000 0.428 911 F N 1.832 121.723 119.950 -0.098 0.000 2.065 911 F HA -0.201 4.325 4.527 -0.001 0.000 0.298 911 F C 2.248 177.951 175.800 -0.161 0.000 1.112 911 F CA 1.192 59.121 58.000 -0.119 0.000 1.212 911 F CB -0.667 38.281 39.000 -0.088 0.000 0.975 911 F HN -0.080 nan 8.300 nan 0.000 0.476 912 V N 0.440 120.226 119.914 -0.213 0.000 2.358 912 V HA -0.318 3.801 4.120 -0.001 0.000 0.246 912 V C 2.437 178.435 176.094 -0.161 0.000 1.047 912 V CA 2.282 64.469 62.300 -0.190 0.000 1.035 912 V CB -0.800 30.872 31.823 -0.252 0.000 0.658 912 V HN 0.505 nan 8.190 nan 0.000 0.452 913 Q N -0.223 119.495 119.800 -0.138 0.000 2.084 913 Q HA -0.296 4.043 4.340 -0.001 0.000 0.202 913 Q C 2.057 177.972 176.000 -0.142 0.000 0.978 913 Q CA 2.369 58.114 55.803 -0.096 0.000 0.844 913 Q CB -0.191 28.510 28.738 -0.062 0.000 0.898 913 Q HN 0.750 nan 8.270 nan 0.000 0.426 914 D N -0.430 119.848 120.400 -0.204 0.000 2.104 914 D HA -0.177 4.462 4.640 -0.001 0.000 0.194 914 D C 1.730 177.841 176.300 -0.316 0.000 0.994 914 D CA 1.795 55.655 54.000 -0.233 0.000 0.830 914 D CB -0.144 40.511 40.800 -0.243 0.000 0.959 914 D HN 0.386 nan 8.370 nan 0.000 0.452 915 A N 0.260 122.769 122.820 -0.518 0.000 1.902 915 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 915 A C 2.043 179.409 177.584 -0.364 0.000 1.181 915 A CA 1.614 53.267 52.037 -0.641 0.000 0.623 915 A CB -0.659 17.663 19.000 -1.130 0.000 0.818 915 A HN 0.360 nan 8.150 nan 0.000 0.443 916 E N 0.275 120.401 120.200 -0.123 0.000 2.347 916 E HA -0.104 4.245 4.350 -0.001 0.000 0.196 916 E C 2.062 178.651 176.600 -0.018 0.000 1.008 916 E CA 0.929 57.358 56.400 0.048 0.000 0.852 916 E CB -0.130 29.634 29.700 0.107 0.000 0.783 916 E HN 0.788 nan 8.360 nan 0.000 0.505 917 S N 0.891 116.547 115.700 -0.075 0.000 2.453 917 S HA -0.093 4.376 4.470 -0.001 0.000 0.231 917 S C 1.051 175.609 174.600 -0.070 0.000 1.005 917 S CA -0.127 58.034 58.200 -0.064 0.000 0.949 917 S CB -0.173 62.983 63.200 -0.074 0.000 0.774 917 S HN 0.083 nan 8.310 nan 0.000 0.510 918 N N 3.404 122.040 118.700 -0.106 0.000 2.359 918 N HA 0.060 4.799 4.740 -0.001 0.000 0.261 918 N C -1.878 173.602 175.510 -0.050 0.000 1.267 918 N CA -0.947 52.045 53.050 -0.097 0.000 0.864 918 N CB 1.093 39.490 38.487 -0.149 0.000 1.063 918 N HN 0.098 nan 8.380 nan 0.000 0.474 919 P HA -0.123 nan 4.420 nan 0.000 0.218 919 P C 1.347 178.644 177.300 -0.005 0.000 1.146 919 P CA 1.053 64.143 63.100 -0.017 0.000 0.813 919 P CB 0.200 31.890 31.700 -0.017 0.000 0.778 920 L N -1.917 119.299 121.223 -0.011 0.000 2.353 920 L HA -0.157 4.182 4.340 -0.001 0.000 0.220 920 L C 2.115 179.005 176.870 0.034 0.000 1.133 920 L CA 0.977 55.820 54.840 0.005 0.000 0.798 920 L CB -1.008 41.048 42.059 -0.006 0.000 0.922 920 L HN 0.068 nan 8.230 nan 0.000 0.445 921 C N -0.630 118.696 119.300 0.044 0.000 2.514 921 C HA 0.075 4.534 4.460 -0.001 0.000 0.271 921 C C 1.290 176.316 174.990 0.060 0.000 1.399 921 C CA -0.455 58.615 59.018 0.088 0.000 1.765 921 C CB -0.828 26.983 27.740 0.119 0.000 1.893 921 C HN 0.524 nan 8.230 nan 0.000 0.531 922 R N 0.157 120.678 120.500 0.036 0.000 3.416 922 R HA -0.224 4.115 4.340 -0.001 0.000 0.263 922 R C 0.301 176.618 176.300 0.029 0.000 1.053 922 R CA 0.798 56.915 56.100 0.028 0.000 0.705 922 R CB -2.351 27.968 30.300 0.030 0.000 1.124 922 R HN 0.768 nan 8.270 nan 0.000 0.444 923 R N -2.301 118.215 120.500 0.028 0.000 3.776 923 R HA -0.171 4.168 4.340 -0.001 0.000 0.312 923 R C -0.043 176.275 176.300 0.030 0.000 1.181 923 R CA 1.324 57.439 56.100 0.024 0.000 0.836 923 R CB -1.399 28.911 30.300 0.016 0.000 1.324 923 R HN 0.372 nan 8.270 nan 0.000 0.501 924 L N 0.754 122.003 121.223 0.044 0.000 2.334 924 L HA 0.356 4.695 4.340 -0.001 0.000 0.276 924 L C 0.667 177.570 176.870 0.055 0.000 1.014 924 L CA -0.789 54.076 54.840 0.042 0.000 0.815 924 L CB 1.855 43.939 42.059 0.042 0.000 1.268 924 L HN 0.102 nan 8.230 nan 0.000 0.428 925 Q N 0.985 120.802 119.800 0.029 0.000 2.260 925 Q HA 0.107 4.447 4.340 -0.001 0.000 0.238 925 Q C 0.765 176.736 176.000 -0.048 0.000 0.948 925 Q CA -0.684 55.130 55.803 0.017 0.000 0.895 925 Q CB 1.525 30.265 28.738 0.004 0.000 1.218 925 Q HN 0.442 nan 8.270 nan 0.000 0.470 926 L N 3.098 124.230 121.223 -0.152 0.000 2.010 926 L HA -0.330 4.009 4.340 -0.001 0.000 0.219 926 L C 2.227 178.987 176.870 -0.183 0.000 1.077 926 L CA 2.328 56.940 54.840 -0.381 0.000 0.773 926 L CB -0.647 41.148 42.059 -0.440 0.000 0.892 926 L HN 0.775 nan 8.230 nan 0.000 0.436 927 K N -1.771 118.567 120.400 -0.102 0.000 2.218 927 K HA -0.202 4.117 4.320 -0.001 0.000 0.205 927 K C 1.286 177.858 176.600 -0.046 0.000 1.046 927 K CA 1.886 58.133 56.287 -0.067 0.000 0.933 927 K CB -0.561 31.913 32.500 -0.044 0.000 0.728 927 K HN 0.428 nan 8.250 nan 0.000 0.454 928 D N 0.637 121.016 120.400 -0.036 0.000 2.333 928 D HA 0.080 4.719 4.640 -0.001 0.000 0.208 928 D C 1.932 178.232 176.300 0.000 0.000 0.984 928 D CA 0.577 54.570 54.000 -0.012 0.000 0.873 928 D CB 0.179 40.978 40.800 -0.002 0.000 0.935 928 D HN 0.349 nan 8.370 nan 0.000 0.521 929 I N 0.323 120.885 120.570 -0.013 0.000 2.585 929 I HA -0.054 4.115 4.170 -0.001 0.000 0.254 929 I C 2.321 178.472 176.117 0.056 0.000 1.129 929 I CA 0.262 61.571 61.300 0.016 0.000 1.455 929 I CB 0.144 38.146 38.000 0.003 0.000 1.111 929 I HN -0.144 nan 8.210 nan 0.000 0.433 930 I N 1.774 122.376 120.570 0.053 0.000 2.208 930 I HA -0.199 3.970 4.170 -0.001 0.000 0.245 930 I C -0.654 175.579 176.117 0.193 0.000 1.097 930 I CA 1.611 63.005 61.300 0.156 0.000 1.363 930 I CB -1.115 36.919 38.000 0.058 0.000 1.051 930 I HN 0.149 nan 8.210 nan 0.000 0.413 931 P HA -0.091 nan 4.420 nan 0.000 0.242 931 P C 1.264 178.633 177.300 0.115 0.000 1.198 931 P CA 1.016 64.168 63.100 0.087 0.000 0.756 931 P CB -0.497 31.222 31.700 0.031 0.000 0.911 932 T N -4.011 110.625 114.554 0.137 0.000 2.904 932 T HA -0.175 4.174 4.350 -0.001 0.000 0.267 932 T C 1.923 176.748 174.700 0.207 0.000 1.059 932 T CA 0.849 63.029 62.100 0.133 0.000 1.137 932 T CB -0.609 68.313 68.868 0.091 0.000 0.879 932 T HN 0.010 nan 8.240 nan 0.000 0.467 933 Q N 1.073 121.031 119.800 0.264 0.000 2.020 933 Q HA -0.037 4.302 4.340 -0.001 0.000 0.202 933 Q C 2.299 178.415 176.000 0.192 0.000 0.982 933 Q CA 1.896 57.864 55.803 0.277 0.000 0.838 933 Q CB -0.663 28.286 28.738 0.351 0.000 0.899 933 Q HN 0.555 nan 8.270 nan 0.000 0.423 934 M N -0.159 119.554 119.600 0.188 0.000 2.108 934 M HA -0.201 4.278 4.480 -0.001 0.000 0.261 934 M C 1.984 178.318 176.300 0.056 0.000 1.066 934 M CA 2.068 57.438 55.300 0.117 0.000 1.107 934 M CB -0.394 32.259 32.600 0.087 0.000 1.356 934 M HN 0.288 nan 8.290 nan 0.000 0.406 935 Q N -0.085 119.740 119.800 0.042 0.000 2.084 935 Q HA -0.193 4.146 4.340 -0.001 0.000 0.202 935 Q C 2.129 178.085 176.000 -0.073 0.000 0.978 935 Q CA 2.034 57.835 55.803 -0.003 0.000 0.844 935 Q CB -0.398 28.345 28.738 0.009 0.000 0.898 935 Q HN 0.476 nan 8.270 nan 0.000 0.426 936 R N -0.304 120.120 120.500 -0.127 0.000 2.103 936 R HA -0.123 4.216 4.340 -0.001 0.000 0.242 936 R C 1.844 177.914 176.300 -0.384 0.000 1.142 936 R CA 1.536 57.421 56.100 -0.357 0.000 0.960 936 R CB -0.900 28.986 30.300 -0.691 0.000 0.858 936 R HN 0.397 nan 8.270 nan 0.000 0.439 937 L N 0.291 121.444 121.223 -0.117 0.000 2.201 937 L HA -0.072 4.267 4.340 -0.001 0.000 0.212 937 L C 2.228 179.105 176.870 0.011 0.000 1.105 937 L CA 2.127 56.997 54.840 0.050 0.000 0.775 937 L CB -0.802 41.349 42.059 0.152 0.000 0.913 937 L HN 0.505 nan 8.230 nan 0.000 0.440 938 T N -4.699 109.835 114.554 -0.034 0.000 2.995 938 T HA -0.111 4.239 4.350 -0.001 0.000 0.269 938 T C 1.881 176.546 174.700 -0.059 0.000 1.091 938 T CA 0.625 62.709 62.100 -0.026 0.000 1.128 938 T CB -0.098 68.757 68.868 -0.022 0.000 0.891 938 T HN 0.088 nan 8.240 nan 0.000 0.492 939 K N 0.206 120.518 120.400 -0.146 0.000 2.186 939 K HA 0.130 4.449 4.320 -0.001 0.000 0.202 939 K C 1.867 178.388 176.600 -0.132 0.000 1.052 939 K CA 0.601 56.789 56.287 -0.164 0.000 0.965 939 K CB -0.545 31.812 32.500 -0.240 0.000 0.746 939 K HN 0.432 nan 8.250 nan 0.000 0.457 940 Y N 1.284 121.538 120.300 -0.077 0.000 2.151 940 Y HA -0.154 4.395 4.550 -0.002 0.000 0.284 940 Y C -0.663 175.149 175.900 -0.146 0.000 1.166 940 Y CA 1.188 59.197 58.100 -0.151 0.000 1.163 940 Y CB -1.810 36.463 38.460 -0.312 0.000 0.974 940 Y HN 0.148 nan 8.280 nan 0.000 0.511 941 P HA -0.157 nan 4.420 nan 0.000 0.216 941 P C 1.509 178.808 177.300 -0.001 0.000 1.150 941 P CA 1.664 64.762 63.100 -0.002 0.000 0.837 941 P CB -0.114 31.584 31.700 -0.003 0.000 0.786 942 L N -1.901 119.323 121.223 0.002 0.000 2.095 942 L HA -0.083 4.256 4.340 -0.001 0.000 0.204 942 L C 2.508 179.387 176.870 0.015 0.000 1.080 942 L CA 1.010 55.849 54.840 -0.001 0.000 0.759 942 L CB -1.188 40.867 42.059 -0.007 0.000 0.914 942 L HN -0.107 nan 8.230 nan 0.000 0.439 943 L N -0.440 120.805 121.223 0.036 0.000 2.043 943 L HA -0.254 4.085 4.340 -0.001 0.000 0.212 943 L C 2.508 179.425 176.870 0.078 0.000 1.075 943 L CA 1.192 56.075 54.840 0.073 0.000 0.752 943 L CB -0.469 41.663 42.059 0.123 0.000 0.891 943 L HN 0.220 nan 8.230 nan 0.000 0.432 944 L N -0.792 120.471 121.223 0.067 0.000 2.109 944 L HA -0.160 4.179 4.340 -0.001 0.000 0.207 944 L C 2.122 178.996 176.870 0.007 0.000 1.086 944 L CA 1.447 56.319 54.840 0.053 0.000 0.760 944 L CB -0.690 41.388 42.059 0.033 0.000 0.910 944 L HN 0.155 nan 8.230 nan 0.000 0.437 945 D N -0.480 119.913 120.400 -0.011 0.000 2.149 945 D HA -0.180 4.459 4.640 -0.001 0.000 0.198 945 D C 1.900 178.162 176.300 -0.063 0.000 0.990 945 D CA 0.940 54.915 54.000 -0.042 0.000 0.839 945 D CB -0.131 40.643 40.800 -0.043 0.000 0.948 945 D HN 0.242 nan 8.370 nan 0.000 0.460 946 N N 0.058 118.741 118.700 -0.029 0.000 2.250 946 N HA 0.016 4.755 4.740 -0.001 0.000 0.181 946 N C 1.993 177.509 175.510 0.011 0.000 1.017 946 N CA 0.188 53.224 53.050 -0.023 0.000 0.866 946 N CB -0.036 38.483 38.487 0.052 0.000 0.985 946 N HN 0.256 nan 8.380 nan 0.000 0.429 947 I N 0.879 121.464 120.570 0.025 0.000 2.179 947 I HA -0.244 3.925 4.170 -0.001 0.000 0.242 947 I C 2.261 178.349 176.117 -0.048 0.000 1.088 947 I CA 1.073 62.385 61.300 0.020 0.000 1.357 947 I CB -0.313 37.701 38.000 0.023 0.000 1.051 947 I HN 0.044 nan 8.210 nan 0.000 0.409 948 A N 0.658 123.428 122.820 -0.083 0.000 1.908 948 A HA -0.277 4.042 4.320 -0.001 0.000 0.218 948 A C 2.395 179.872 177.584 -0.178 0.000 1.181 948 A CA 1.948 53.905 52.037 -0.132 0.000 0.627 948 A CB -0.595 18.338 19.000 -0.112 0.000 0.818 948 A HN 0.359 nan 8.150 nan 0.000 0.445 949 K N -1.578 118.680 120.400 -0.237 0.000 2.074 949 K HA -0.188 4.131 4.320 -0.001 0.000 0.209 949 K C 0.317 176.636 176.600 -0.469 0.000 1.048 949 K CA 1.688 57.728 56.287 -0.410 0.000 0.926 949 K CB -0.241 31.888 32.500 -0.619 0.000 0.713 949 K HN 0.571 nan 8.250 nan 0.000 0.444 950 Y N 0.343 120.598 120.300 -0.075 0.000 2.746 950 Y HA 0.209 4.759 4.550 -0.001 0.000 0.312 950 Y C -0.393 175.453 175.900 -0.089 0.000 1.117 950 Y CA -0.167 57.895 58.100 -0.062 0.000 1.324 950 Y CB 0.667 39.091 38.460 -0.060 0.000 1.173 950 Y HN -0.209 nan 8.280 nan 0.000 0.529 951 T N 0.669 115.171 114.554 -0.087 0.000 2.772 951 T HA 0.179 4.528 4.350 -0.001 0.000 0.288 951 T C 0.873 175.426 174.700 -0.245 0.000 0.994 951 T CA -0.529 61.385 62.100 -0.311 0.000 0.951 951 T CB 1.331 69.924 68.868 -0.458 0.000 0.933 951 T HN 0.337 nan 8.240 nan 0.000 0.447 952 E N 2.129 122.290 120.200 -0.065 0.000 2.060 952 E HA 0.000 4.349 4.350 -0.001 0.000 0.189 952 E C 0.331 177.028 176.600 0.162 0.000 0.974 952 E CA 0.576 57.086 56.400 0.183 0.000 0.808 952 E CB 0.227 30.179 29.700 0.419 0.000 0.768 952 E HN 0.766 nan 8.360 nan 0.000 0.453 953 W N 1.326 122.628 121.300 0.003 0.000 2.338 953 W HA 0.355 5.014 4.660 -0.001 0.000 0.307 953 W C -2.364 174.154 176.519 -0.002 0.000 1.167 953 W CA -2.451 54.894 57.345 0.001 0.000 1.208 953 W CB 0.358 29.819 29.460 0.002 0.000 1.228 953 W HN -0.176 nan 8.180 nan 0.000 0.499 954 P HA -0.163 nan 4.420 nan 0.000 0.218 954 P C 1.516 178.780 177.300 -0.060 0.000 1.149 954 P CA 2.057 65.142 63.100 -0.025 0.000 0.817 954 P CB 0.164 31.877 31.700 0.021 0.000 0.785 955 T N -0.557 113.994 114.554 -0.005 0.000 2.857 955 T HA -0.137 4.212 4.350 -0.001 0.000 0.266 955 T C 1.765 176.421 174.700 -0.074 0.000 1.048 955 T CA 1.504 63.601 62.100 -0.005 0.000 1.139 955 T CB -0.459 68.448 68.868 0.064 0.000 0.874 955 T HN 0.219 nan 8.240 nan 0.000 0.455 956 E N 1.638 121.723 120.200 -0.191 0.000 2.046 956 E HA -0.046 4.303 4.350 -0.001 0.000 0.190 956 E C 2.291 178.686 176.600 -0.342 0.000 0.982 956 E CA 0.997 57.204 56.400 -0.321 0.000 0.800 956 E CB -0.193 29.091 29.700 -0.694 0.000 0.756 956 E HN 0.307 nan 8.360 nan 0.000 0.449 957 R N 0.240 120.500 120.500 -0.400 0.000 2.081 957 R HA -0.170 4.169 4.340 -0.001 0.000 0.235 957 R C 1.891 178.092 176.300 -0.165 0.000 1.131 957 R CA 1.680 57.609 56.100 -0.285 0.000 0.960 957 R CB -0.218 29.928 30.300 -0.257 0.000 0.856 957 R HN 0.094 nan 8.270 nan 0.000 0.436 958 E N 0.924 121.048 120.200 -0.127 0.000 2.118 958 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 958 E C 1.724 178.287 176.600 -0.062 0.000 0.992 958 E CA 1.541 57.894 56.400 -0.078 0.000 0.804 958 E CB 0.070 29.738 29.700 -0.054 0.000 0.741 958 E HN 0.332 nan 8.360 nan 0.000 0.458 959 K N -0.724 119.634 120.400 -0.070 0.000 2.062 959 K HA -0.042 4.277 4.320 -0.001 0.000 0.205 959 K C 2.108 178.685 176.600 -0.037 0.000 1.051 959 K CA 1.125 57.384 56.287 -0.047 0.000 0.941 959 K CB -0.089 32.375 32.500 -0.060 0.000 0.719 959 K HN -0.026 nan 8.250 nan 0.000 0.440 960 V N 1.946 121.819 119.914 -0.069 0.000 2.261 960 V HA -0.280 3.839 4.120 -0.001 0.000 0.246 960 V C 1.986 178.065 176.094 -0.026 0.000 1.047 960 V CA 1.783 64.055 62.300 -0.047 0.000 1.015 960 V CB -0.352 31.419 31.823 -0.086 0.000 0.642 960 V HN 0.283 nan 8.190 nan 0.000 0.446 961 K N -0.102 120.268 120.400 -0.050 0.000 2.147 961 K HA -0.216 4.103 4.320 -0.001 0.000 0.205 961 K C 2.207 178.791 176.600 -0.026 0.000 1.049 961 K CA 1.428 57.689 56.287 -0.044 0.000 0.936 961 K CB -0.159 32.305 32.500 -0.061 0.000 0.722 961 K HN 0.409 nan 8.250 nan 0.000 0.446 962 K N 1.121 121.516 120.400 -0.009 0.000 2.025 962 K HA -0.111 4.208 4.320 -0.001 0.000 0.207 962 K C 2.118 178.781 176.600 0.105 0.000 1.049 962 K CA 1.269 57.566 56.287 0.016 0.000 0.933 962 K CB -0.139 32.387 32.500 0.044 0.000 0.714 962 K HN 0.084 nan 8.250 nan 0.000 0.438 963 A N 1.080 123.986 122.820 0.143 0.000 1.908 963 A HA -0.148 4.171 4.320 -0.001 0.000 0.218 963 A C 2.363 180.013 177.584 0.110 0.000 1.181 963 A CA 2.028 54.184 52.037 0.199 0.000 0.627 963 A CB -0.994 18.116 19.000 0.182 0.000 0.818 963 A HN 0.526 nan 8.150 nan 0.000 0.445 964 A N 0.013 122.854 122.820 0.035 0.000 1.877 964 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 964 A C 1.789 179.360 177.584 -0.021 0.000 1.186 964 A CA 1.972 54.000 52.037 -0.015 0.000 0.620 964 A CB -0.616 18.370 19.000 -0.022 0.000 0.822 964 A HN 0.467 nan 8.150 nan 0.000 0.443 965 D N -0.980 119.398 120.400 -0.036 0.000 2.117 965 D HA -0.124 4.516 4.640 -0.001 0.000 0.197 965 D C 1.789 178.039 176.300 -0.084 0.000 0.987 965 D CA 1.186 55.138 54.000 -0.081 0.000 0.829 965 D CB -0.551 40.165 40.800 -0.140 0.000 0.961 965 D HN 0.561 nan 8.370 nan 0.000 0.460 966 H N -0.051 119.017 119.070 -0.004 0.000 2.353 966 H HA -0.094 4.461 4.556 -0.001 0.000 0.298 966 H C 2.409 177.732 175.328 -0.009 0.000 1.103 966 H CA 1.055 57.108 56.048 0.009 0.000 1.293 966 H CB -0.573 29.213 29.762 0.041 0.000 1.372 966 H HN 0.230 nan 8.280 nan 0.000 0.501 967 C N 0.311 119.644 119.300 0.055 0.000 2.425 967 C HA -0.100 4.360 4.460 -0.001 0.000 0.277 967 C C 2.917 177.914 174.990 0.012 0.000 1.280 967 C CA 0.480 59.465 59.018 -0.056 0.000 1.744 967 C CB -0.779 26.829 27.740 -0.220 0.000 1.989 967 C HN 0.506 nan 8.230 nan 0.000 0.491 968 R N 0.167 120.672 120.500 0.008 0.000 2.081 968 R HA -0.153 4.186 4.340 -0.001 0.000 0.235 968 R C 2.420 178.743 176.300 0.037 0.000 1.131 968 R CA 1.422 57.531 56.100 0.015 0.000 0.960 968 R CB -0.297 29.998 30.300 -0.007 0.000 0.856 968 R HN 0.646 nan 8.270 nan 0.000 0.436 969 Q N 0.174 119.997 119.800 0.039 0.000 2.061 969 Q HA -0.204 4.135 4.340 -0.001 0.000 0.204 969 Q C 2.173 178.239 176.000 0.109 0.000 0.984 969 Q CA 1.663 57.505 55.803 0.066 0.000 0.846 969 Q CB -0.148 28.628 28.738 0.063 0.000 0.902 969 Q HN 0.394 nan 8.270 nan 0.000 0.421 970 I N 0.307 120.940 120.570 0.106 0.000 2.163 970 I HA -0.307 3.862 4.170 -0.001 0.000 0.243 970 I C 2.341 178.559 176.117 0.168 0.000 1.085 970 I CA 0.772 62.147 61.300 0.124 0.000 1.347 970 I CB -0.300 37.765 38.000 0.107 0.000 1.044 970 I HN 0.256 nan 8.210 nan 0.000 0.408 971 L N 1.200 122.499 121.223 0.125 0.000 1.989 971 L HA -0.249 4.090 4.340 -0.001 0.000 0.211 971 L C 1.940 178.874 176.870 0.106 0.000 1.071 971 L CA 2.122 57.029 54.840 0.112 0.000 0.749 971 L CB -1.031 41.073 42.059 0.075 0.000 0.890 971 L HN 0.227 nan 8.230 nan 0.000 0.431 972 N N -1.458 117.300 118.700 0.097 0.000 2.205 972 N HA -0.254 4.485 4.740 -0.001 0.000 0.186 972 N C 1.733 177.306 175.510 0.105 0.000 1.015 972 N CA 1.595 54.694 53.050 0.080 0.000 0.862 972 N CB -0.371 38.156 38.487 0.067 0.000 0.986 972 N HN 0.443 nan 8.380 nan 0.000 0.429 973 F N 0.964 120.916 119.950 0.003 0.000 2.163 973 F HA -0.071 4.455 4.527 -0.002 0.000 0.297 973 F C 1.943 177.734 175.800 -0.015 0.000 1.094 973 F CA 0.774 58.765 58.000 -0.014 0.000 1.290 973 F CB -0.148 38.836 39.000 -0.027 0.000 1.017 973 F HN -0.203 nan 8.300 nan 0.000 0.483 974 V N 0.845 120.871 119.914 0.187 0.000 2.270 974 V HA -0.299 3.820 4.120 -0.001 0.000 0.245 974 V C 2.128 178.216 176.094 -0.011 0.000 1.043 974 V CA 2.069 64.422 62.300 0.088 0.000 1.014 974 V CB -0.844 31.075 31.823 0.160 0.000 0.645 974 V HN 0.328 nan 8.190 nan 0.000 0.447 975 N N 0.075 118.781 118.700 0.010 0.000 2.192 975 N HA -0.224 4.515 4.740 -0.001 0.000 0.188 975 N C 1.854 177.327 175.510 -0.061 0.000 1.013 975 N CA 1.503 54.542 53.050 -0.018 0.000 0.863 975 N CB -0.317 38.169 38.487 -0.002 0.000 0.990 975 N HN 0.494 nan 8.380 nan 0.000 0.430 976 Q N 0.488 120.226 119.800 -0.103 0.000 2.163 976 Q HA 0.221 4.560 4.340 -0.001 0.000 0.198 976 Q C 1.784 177.683 176.000 -0.168 0.000 0.954 976 Q CA 1.245 56.971 55.803 -0.130 0.000 0.851 976 Q CB -0.429 28.222 28.738 -0.144 0.000 0.928 976 Q HN 0.283 nan 8.270 nan 0.000 0.459 977 A N -0.410 122.265 122.820 -0.242 0.000 1.933 977 A HA -0.096 4.224 4.320 -0.001 0.000 0.218 977 A C 2.235 179.757 177.584 -0.104 0.000 1.175 977 A CA 1.565 53.474 52.037 -0.213 0.000 0.628 977 A CB -0.722 18.112 19.000 -0.276 0.000 0.814 977 A HN 0.246 nan 8.150 nan 0.000 0.444 978 V N 0.075 119.940 119.914 -0.082 0.000 2.307 978 V HA -0.260 3.859 4.120 -0.001 0.000 0.245 978 V C 2.521 178.574 176.094 -0.068 0.000 1.045 978 V CA 2.387 64.653 62.300 -0.056 0.000 1.024 978 V CB -0.616 31.182 31.823 -0.042 0.000 0.651 978 V HN 0.703 nan 8.190 nan 0.000 0.449 979 K N 0.119 120.477 120.400 -0.071 0.000 2.020 979 K HA -0.289 4.030 4.320 -0.001 0.000 0.212 979 K C 2.142 178.701 176.600 -0.069 0.000 1.050 979 K CA 2.317 58.562 56.287 -0.071 0.000 0.929 979 K CB -0.230 32.230 32.500 -0.066 0.000 0.714 979 K HN 0.500 nan 8.250 nan 0.000 0.443 980 E N -0.363 119.797 120.200 -0.066 0.000 2.086 980 E HA -0.253 4.096 4.350 -0.001 0.000 0.200 980 E C 1.887 178.474 176.600 -0.022 0.000 1.012 980 E CA 1.728 58.100 56.400 -0.047 0.000 0.812 980 E CB -0.185 29.481 29.700 -0.056 0.000 0.743 980 E HN 0.495 nan 8.360 nan 0.000 0.453 981 A N 0.788 123.604 122.820 -0.006 0.000 1.898 981 A HA -0.219 4.101 4.320 -0.001 0.000 0.216 981 A C 1.902 179.418 177.584 -0.113 0.000 1.181 981 A CA 1.510 53.581 52.037 0.057 0.000 0.620 981 A CB -0.447 18.640 19.000 0.145 0.000 0.819 981 A HN 0.197 nan 8.150 nan 0.000 0.442 982 E N -0.239 119.868 120.200 -0.155 0.000 2.160 982 E HA -0.218 4.131 4.350 -0.001 0.000 0.195 982 E C 1.909 178.388 176.600 -0.202 0.000 0.991 982 E CA 1.011 57.278 56.400 -0.221 0.000 0.810 982 E CB -0.177 29.426 29.700 -0.162 0.000 0.742 982 E HN 0.604 nan 8.360 nan 0.000 0.466 983 N N 1.291 119.913 118.700 -0.130 0.000 2.142 983 N HA -0.149 4.590 4.740 -0.001 0.000 0.186 983 N C 1.385 176.832 175.510 -0.105 0.000 1.023 983 N CA 1.227 54.211 53.050 -0.109 0.000 0.852 983 N CB 0.137 38.584 38.487 -0.066 0.000 0.998 983 N HN 0.090 nan 8.380 nan 0.000 0.424 984 K N 0.098 120.468 120.400 -0.050 0.000 2.097 984 K HA -0.072 4.247 4.320 -0.001 0.000 0.205 984 K C 1.949 178.534 176.600 -0.025 0.000 1.050 984 K CA 0.738 57.042 56.287 0.029 0.000 0.938 984 K CB -0.051 32.567 32.500 0.195 0.000 0.718 984 K HN 0.180 nan 8.250 nan 0.000 0.442 985 Q N 1.252 120.892 119.800 -0.267 0.000 2.230 985 Q HA -0.072 4.267 4.340 -0.001 0.000 0.202 985 Q C 1.880 177.665 176.000 -0.357 0.000 0.963 985 Q CA 1.175 56.684 55.803 -0.489 0.000 0.866 985 Q CB 0.178 28.214 28.738 -1.170 0.000 0.931 985 Q HN 0.254 nan 8.270 nan 0.000 0.452 986 R N -0.155 120.117 120.500 -0.379 0.000 2.073 986 R HA -0.063 4.276 4.340 -0.001 0.000 0.234 986 R C 2.568 178.426 176.300 -0.737 0.000 1.134 986 R CA 1.130 56.895 56.100 -0.557 0.000 0.952 986 R CB -0.335 29.663 30.300 -0.504 0.000 0.850 986 R HN 0.265 nan 8.270 nan 0.000 0.433 987 L N 0.539 121.521 121.223 -0.403 0.000 2.042 987 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 987 L C 2.551 179.374 176.870 -0.078 0.000 1.076 987 L CA 1.525 56.262 54.840 -0.172 0.000 0.749 987 L CB -0.416 41.628 42.059 -0.024 0.000 0.893 987 L HN 0.336 nan 8.230 nan 0.000 0.432 988 E N -0.038 120.123 120.200 -0.064 0.000 2.153 988 E HA -0.291 4.059 4.350 -0.001 0.000 0.194 988 E C 1.679 178.275 176.600 -0.006 0.000 0.988 988 E CA 1.582 57.989 56.400 0.012 0.000 0.811 988 E CB 0.105 29.859 29.700 0.090 0.000 0.746 988 E HN 0.418 nan 8.360 nan 0.000 0.466 989 D N -1.009 119.338 120.400 -0.088 0.000 2.097 989 D HA -0.184 4.455 4.640 -0.001 0.000 0.197 989 D C 1.557 177.908 176.300 0.085 0.000 0.984 989 D CA 1.144 55.111 54.000 -0.056 0.000 0.826 989 D CB -0.064 40.640 40.800 -0.161 0.000 0.973 989 D HN 0.212 nan 8.370 nan 0.000 0.460 990 Y N 0.356 120.649 120.300 -0.013 0.000 2.145 990 Y HA -0.091 4.459 4.550 -0.001 0.000 0.286 990 Y C 2.432 178.338 175.900 0.009 0.000 1.145 990 Y CA 0.940 59.037 58.100 -0.004 0.000 1.148 990 Y CB -1.347 37.123 38.460 0.018 0.000 0.981 990 Y HN 0.108 nan 8.280 nan 0.000 0.507 991 Q N 0.754 120.658 119.800 0.174 0.000 2.234 991 Q HA -0.175 4.164 4.340 -0.001 0.000 0.206 991 Q C 2.336 178.382 176.000 0.076 0.000 0.980 991 Q CA 1.548 57.414 55.803 0.105 0.000 0.869 991 Q CB -0.238 28.545 28.738 0.076 0.000 0.912 991 Q HN 0.389 nan 8.270 nan 0.000 0.436 992 R N -0.657 119.885 120.500 0.071 0.000 2.062 992 R HA 0.052 4.392 4.340 -0.001 0.000 0.226 992 R C 1.894 178.223 176.300 0.048 0.000 1.125 992 R CA 1.013 57.142 56.100 0.048 0.000 0.966 992 R CB 0.066 30.388 30.300 0.036 0.000 0.861 992 R HN 0.179 nan 8.270 nan 0.000 0.433 993 R N 0.364 120.901 120.500 0.063 0.000 2.280 993 R HA -0.013 4.326 4.340 -0.001 0.000 0.207 993 R C 0.364 176.686 176.300 0.037 0.000 1.043 993 R CA -0.080 56.048 56.100 0.046 0.000 1.006 993 R CB -0.292 30.038 30.300 0.050 0.000 0.885 993 R HN 0.076 nan 8.270 nan 0.000 0.467 994 L N 2.439 123.691 121.223 0.048 0.000 2.559 994 L HA -0.060 4.279 4.340 -0.001 0.000 0.274 994 L C -0.361 176.529 176.870 0.033 0.000 1.205 994 L CA 0.742 55.607 54.840 0.041 0.000 0.907 994 L CB 0.388 42.479 42.059 0.052 0.000 1.153 994 L HN -0.097 nan 8.230 nan 0.000 0.490 995 D N 2.855 123.272 120.400 0.029 0.000 2.464 995 D HA 0.202 4.841 4.640 -0.001 0.000 0.243 995 D C -0.421 175.897 176.300 0.031 0.000 1.104 995 D CA -0.337 53.679 54.000 0.027 0.000 0.883 995 D CB 0.786 41.599 40.800 0.023 0.000 1.050 995 D HN 0.557 nan 8.370 nan 0.000 0.524 996 T N 0.347 114.919 114.554 0.031 0.000 3.598 996 T HA 0.259 4.608 4.350 -0.001 0.000 0.343 996 T C 0.987 175.704 174.700 0.029 0.000 1.697 996 T CA -0.516 61.604 62.100 0.032 0.000 1.247 996 T CB 0.529 69.416 68.868 0.032 0.000 1.210 996 T HN 0.031 nan 8.240 nan 0.000 0.820 997 S N 1.139 116.856 115.700 0.029 0.000 2.456 997 S HA 0.018 4.487 4.470 -0.001 0.000 0.224 997 S C 2.263 176.879 174.600 0.026 0.000 1.035 997 S CA 0.303 58.518 58.200 0.025 0.000 0.940 997 S CB -0.006 63.207 63.200 0.022 0.000 0.799 997 S HN 0.693 nan 8.310 nan 0.000 0.508 998 S N 1.310 117.029 115.700 0.032 0.000 2.371 998 S HA 0.165 4.634 4.470 -0.001 0.000 0.224 998 S C 0.877 175.497 174.600 0.033 0.000 1.029 998 S CA 0.622 58.842 58.200 0.034 0.000 0.978 998 S CB -0.109 63.117 63.200 0.042 0.000 0.833 998 S HN 0.311 nan 8.310 nan 0.000 0.466 1008 E N 0.889 121.100 120.200 0.019 0.000 2.166 1008 E HA 0.046 4.395 4.350 -0.001 0.000 0.192 1008 E C 1.900 178.511 176.600 0.018 0.000 0.967 1008 E CA 0.917 57.327 56.400 0.018 0.000 0.840 1008 E CB 0.163 29.872 29.700 0.014 0.000 0.795 1008 E HN 0.750 nan 8.360 nan 0.000 0.470 1009 E N 0.828 121.039 120.200 0.018 0.000 2.086 1009 E HA -0.232 4.117 4.350 -0.001 0.000 0.200 1009 E C 2.092 178.705 176.600 0.022 0.000 1.012 1009 E CA 1.122 57.533 56.400 0.018 0.000 0.812 1009 E CB -0.041 29.669 29.700 0.017 0.000 0.743 1009 E HN 0.223 nan 8.360 nan 0.000 0.453 1010 L N 0.512 121.750 121.223 0.025 0.000 2.072 1010 L HA -0.147 4.192 4.340 -0.001 0.000 0.205 1010 L C 2.747 179.635 176.870 0.030 0.000 1.079 1010 L CA 1.224 56.082 54.840 0.029 0.000 0.752 1010 L CB -0.510 41.571 42.059 0.036 0.000 0.906 1010 L HN 0.148 nan 8.230 nan 0.000 0.436 1011 R N -0.290 120.227 120.500 0.029 0.000 2.148 1011 R HA -0.072 4.267 4.340 -0.001 0.000 0.223 1011 R C 1.036 177.351 176.300 0.026 0.000 1.088 1011 R CA 1.138 57.255 56.100 0.028 0.000 0.985 1011 R CB -0.438 29.877 30.300 0.026 0.000 0.880 1011 R HN 0.322 nan 8.270 nan 0.000 0.451 1012 N N 1.481 120.195 118.700 0.023 0.000 2.322 1012 N HA 0.030 4.769 4.740 -0.001 0.000 0.216 1012 N C -0.311 175.213 175.510 0.024 0.000 1.144 1012 N CA -0.186 52.878 53.050 0.022 0.000 0.830 1012 N CB 0.253 38.751 38.487 0.018 0.000 1.034 1012 N HN 0.147 nan 8.380 nan 0.000 0.484 1013 L N 1.494 122.733 121.223 0.027 0.000 2.513 1013 L HA 0.045 4.384 4.340 -0.001 0.000 0.272 1013 L C -0.020 176.870 176.870 0.033 0.000 1.187 1013 L CA 0.630 55.487 54.840 0.029 0.000 0.895 1013 L CB 0.386 42.465 42.059 0.032 0.000 1.147 1013 L HN -0.090 nan 8.230 nan 0.000 0.483 1014 D N 4.713 125.132 120.400 0.032 0.000 2.438 1014 D HA 0.176 4.816 4.640 -0.001 0.000 0.257 1014 D C 1.100 177.424 176.300 0.041 0.000 1.148 1014 D CA -0.294 53.727 54.000 0.035 0.000 0.902 1014 D CB 0.696 41.513 40.800 0.027 0.000 1.062 1014 D HN 0.639 nan 8.370 nan 0.000 0.518 1015 L N 1.767 123.023 121.223 0.054 0.000 2.081 1015 L HA -0.205 4.134 4.340 -0.001 0.000 0.212 1015 L C 2.462 179.366 176.870 0.056 0.000 1.080 1015 L CA 1.721 56.600 54.840 0.066 0.000 0.754 1015 L CB -0.957 41.163 42.059 0.101 0.000 0.893 1015 L HN 0.424 nan 8.230 nan 0.000 0.433 1016 T N -3.579 111.005 114.554 0.049 0.000 3.007 1016 T HA -0.110 4.239 4.350 -0.001 0.000 0.270 1016 T C 1.618 176.336 174.700 0.030 0.000 1.107 1016 T CA 0.618 62.743 62.100 0.041 0.000 1.118 1016 T CB -0.162 68.729 68.868 0.039 0.000 0.889 1016 T HN 0.116 nan 8.240 nan 0.000 0.506 1017 K N 1.663 122.080 120.400 0.027 0.000 2.476 1017 K HA 0.143 4.462 4.320 -0.001 0.000 0.196 1017 K C 0.698 177.310 176.600 0.020 0.000 1.025 1017 K CA 0.030 56.329 56.287 0.020 0.000 1.138 1017 K CB 0.125 32.635 32.500 0.017 0.000 0.860 1017 K HN 0.648 nan 8.250 nan 0.000 0.515 1018 R N -0.599 119.916 120.500 0.025 0.000 2.739 1018 R HA 0.370 4.709 4.340 -0.001 0.000 0.271 1018 R C -0.917 175.399 176.300 0.027 0.000 1.010 1018 R CA -0.738 55.376 56.100 0.024 0.000 0.897 1018 R CB 1.062 31.377 30.300 0.025 0.000 1.236 1018 R HN -0.264 nan 8.270 nan 0.000 0.466 1019 K N 1.631 122.044 120.400 0.021 0.000 2.218 1019 K HA 0.252 4.571 4.320 -0.001 0.000 0.276 1019 K C 0.083 176.697 176.600 0.024 0.000 1.022 1019 K CA -0.425 55.872 56.287 0.018 0.000 0.946 1019 K CB 1.217 33.722 32.500 0.007 0.000 1.000 1019 K HN 0.537 nan 8.250 nan 0.000 0.468 1020 M N 3.442 123.058 119.600 0.026 0.000 2.216 1020 M HA 0.117 4.596 4.480 -0.001 0.000 0.356 1020 M C -0.191 176.116 176.300 0.012 0.000 1.205 1020 M CA 0.068 55.390 55.300 0.037 0.000 1.122 1020 M CB 0.616 33.252 32.600 0.060 0.000 1.571 1020 M HN 0.606 nan 8.290 nan 0.000 0.464 1021 I N 2.491 123.070 120.570 0.014 0.000 3.445 1021 I HA 0.199 4.368 4.170 -0.001 0.000 0.288 1021 I C 0.597 176.709 176.117 -0.008 0.000 1.198 1021 I CA 0.357 61.656 61.300 -0.002 0.000 1.417 1021 I CB 0.150 38.152 38.000 0.003 0.000 1.205 1021 I HN 0.630 nan 8.210 nan 0.000 0.448 1022 H N 0.863 119.842 119.070 -0.152 0.000 3.037 1022 H HA 0.486 5.041 4.556 -0.002 0.000 0.355 1022 H C -1.489 173.697 175.328 -0.238 0.000 1.263 1022 H CA -0.591 55.276 56.048 -0.303 0.000 1.129 1022 H CB 2.253 31.658 29.762 -0.596 0.000 1.861 1022 H HN 0.164 nan 8.280 nan 0.000 0.546 1023 E N 1.768 121.650 120.200 -0.530 0.000 2.390 1023 E HA 0.613 4.962 4.350 -0.001 0.000 0.280 1023 E C -1.309 175.169 176.600 -0.204 0.000 0.992 1023 E CA -1.078 55.223 56.400 -0.165 0.000 0.790 1023 E CB 2.776 32.502 29.700 0.043 0.000 1.248 1023 E HN 0.777 nan 8.360 nan 0.000 0.447 1024 G N 0.843 109.550 108.800 -0.155 0.000 2.349 1024 G HA2 0.440 4.399 3.960 -0.001 0.000 0.294 1024 G HA3 0.440 4.399 3.960 -0.001 0.000 0.294 1024 G C -3.219 171.455 174.900 -0.377 0.000 1.380 1024 G CA -0.995 44.015 45.100 -0.150 0.000 0.811 1024 G HN 0.367 nan 8.290 nan 0.000 0.519 1025 P HA 0.451 nan 4.420 nan 0.000 0.280 1025 P C -0.260 177.005 177.300 -0.058 0.000 1.300 1025 P CA -0.096 62.989 63.100 -0.026 0.000 0.785 1025 P CB 0.643 32.398 31.700 0.091 0.000 0.874 1026 L N 2.992 124.118 121.223 -0.163 0.000 2.331 1026 L HA 0.614 4.954 4.340 -0.001 0.000 0.268 1026 L C 0.381 177.199 176.870 -0.087 0.000 1.015 1026 L CA -1.334 53.376 54.840 -0.216 0.000 0.807 1026 L CB 1.531 43.327 42.059 -0.438 0.000 1.293 1026 L HN 0.043 nan 8.230 nan 0.000 0.451 1027 V N -0.520 119.360 119.914 -0.056 0.000 2.975 1027 V HA 0.384 4.503 4.120 -0.001 0.000 0.318 1027 V C -1.356 174.812 176.094 0.124 0.000 1.077 1027 V CA -0.450 61.870 62.300 0.033 0.000 1.000 1027 V CB 2.302 34.138 31.823 0.022 0.000 1.066 1027 V HN 0.700 nan 8.190 nan 0.000 0.452 1028 W N 3.708 124.976 121.300 -0.053 0.000 2.517 1028 W HA 0.417 5.077 4.660 -0.001 0.000 0.301 1028 W C -0.190 176.309 176.519 -0.034 0.000 1.002 1028 W CA -1.686 55.638 57.345 -0.034 0.000 1.415 1028 W CB 0.896 30.347 29.460 -0.015 0.000 1.275 1028 W HN 0.520 nan 8.180 nan 0.000 0.413 1029 K N 4.553 125.092 120.400 0.231 0.000 2.294 1029 K HA 0.117 4.436 4.320 -0.001 0.000 0.288 1029 K C 0.612 177.141 176.600 -0.119 0.000 1.072 1029 K CA 0.038 56.342 56.287 0.027 0.000 0.960 1029 K CB 0.881 33.426 32.500 0.075 0.000 1.043 1029 K HN 0.479 nan 8.250 nan 0.000 0.455 1030 V N 4.196 123.842 119.914 -0.446 0.000 2.379 1030 V HA -0.045 4.074 4.120 -0.001 0.000 0.243 1030 V C 0.273 176.170 176.094 -0.327 0.000 1.035 1030 V CA 1.307 63.236 62.300 -0.619 0.000 1.035 1030 V CB 0.063 31.338 31.823 -0.912 0.000 0.673 1030 V HN 0.772 nan 8.190 nan 0.000 0.457 1031 N N -1.283 117.274 118.700 -0.238 0.000 2.966 1031 N HA 0.407 5.146 4.740 -0.001 0.000 0.314 1031 N C 0.629 176.085 175.510 -0.090 0.000 1.397 1031 N CA -0.693 52.273 53.050 -0.140 0.000 0.776 1031 N CB 0.755 39.162 38.487 -0.133 0.000 1.576 1031 N HN -0.044 nan 8.380 nan 0.000 0.592 1032 R N 0.223 120.688 120.500 -0.058 0.000 2.092 1032 R HA -0.008 4.331 4.340 -0.001 0.000 0.231 1032 R C 0.495 176.766 176.300 -0.048 0.000 1.119 1032 R CA 1.269 57.346 56.100 -0.038 0.000 0.970 1032 R CB -0.063 30.222 30.300 -0.025 0.000 0.864 1032 R HN 0.552 nan 8.270 nan 0.000 0.440 1033 D N 0.596 120.960 120.400 -0.060 0.000 2.149 1033 D HA -0.044 4.596 4.640 -0.001 0.000 0.201 1033 D C 0.233 176.490 176.300 -0.072 0.000 0.972 1033 D CA 1.212 55.176 54.000 -0.059 0.000 0.835 1033 D CB 0.255 41.019 40.800 -0.059 0.000 0.966 1033 D HN 0.128 nan 8.370 nan 0.000 0.476 1034 K N -0.056 120.282 120.400 -0.103 0.000 2.208 1034 K HA 0.433 4.753 4.320 -0.001 0.000 0.247 1034 K C -0.555 175.961 176.600 -0.140 0.000 0.953 1034 K CA -0.525 55.687 56.287 -0.126 0.000 0.837 1034 K CB 2.251 34.651 32.500 -0.167 0.000 1.131 1034 K HN -0.108 nan 8.250 nan 0.000 0.431 1035 T N -1.260 113.220 114.554 -0.123 0.000 3.172 1035 T HA 0.482 4.832 4.350 -0.001 0.000 0.320 1035 T C -0.549 174.105 174.700 -0.076 0.000 1.085 1035 T CA -0.746 61.297 62.100 -0.096 0.000 1.052 1035 T CB 0.236 69.080 68.868 -0.041 0.000 1.107 1035 T HN 0.368 nan 8.240 nan 0.000 0.458 1036 I N 3.076 123.609 120.570 -0.061 0.000 2.306 1036 I HA 0.253 4.422 4.170 -0.001 0.000 0.288 1036 I C -0.381 175.794 176.117 0.096 0.000 1.036 1036 I CA -0.869 60.440 61.300 0.015 0.000 1.221 1036 I CB 0.893 38.908 38.000 0.025 0.000 1.385 1036 I HN 0.642 nan 8.210 nan 0.000 0.472 1037 D N 8.187 128.624 120.400 0.062 0.000 2.401 1037 D HA 0.270 4.909 4.640 -0.001 0.000 0.254 1037 D C -0.077 176.275 176.300 0.087 0.000 1.192 1037 D CA 0.440 54.480 54.000 0.066 0.000 0.885 1037 D CB 1.370 42.198 40.800 0.047 0.000 1.147 1037 D HN 0.331 nan 8.370 nan 0.000 0.478 1038 L N 1.899 123.171 121.223 0.082 0.000 2.322 1038 L HA 0.441 4.780 4.340 -0.001 0.000 0.269 1038 L C -0.604 176.322 176.870 0.093 0.000 1.012 1038 L CA -1.199 53.688 54.840 0.079 0.000 0.815 1038 L CB 1.452 43.527 42.059 0.027 0.000 1.295 1038 L HN 0.316 nan 8.230 nan 0.000 0.438 1039 Y N 0.121 120.407 120.300 -0.024 0.000 2.341 1039 Y HA 0.479 5.028 4.550 -0.001 0.000 0.338 1039 Y C -0.440 175.435 175.900 -0.041 0.000 0.965 1039 Y CA -0.284 57.798 58.100 -0.030 0.000 1.108 1039 Y CB 1.909 40.329 38.460 -0.067 0.000 1.180 1039 Y HN 0.447 nan 8.280 nan 0.000 0.458 1040 T N 6.811 121.201 114.554 -0.274 0.000 2.887 1040 T HA 0.618 4.967 4.350 -0.001 0.000 0.288 1040 T C -1.200 173.536 174.700 0.061 0.000 1.021 1040 T CA -0.710 61.319 62.100 -0.120 0.000 1.000 1040 T CB 1.010 69.685 68.868 -0.321 0.000 1.034 1040 T HN 0.492 nan 8.240 nan 0.000 0.467 1041 L N 3.206 124.507 121.223 0.131 0.000 2.372 1041 L HA 0.506 4.846 4.340 -0.001 0.000 0.274 1041 L C -0.940 176.054 176.870 0.207 0.000 0.988 1041 L CA -1.091 53.866 54.840 0.196 0.000 0.833 1041 L CB 1.586 43.739 42.059 0.157 0.000 1.236 1041 L HN 0.361 nan 8.230 nan 0.000 0.410 1042 L N 5.286 126.669 121.223 0.267 0.000 2.325 1042 L HA 0.447 4.786 4.340 -0.001 0.000 0.284 1042 L C -0.459 176.470 176.870 0.098 0.000 1.089 1042 L CA 0.442 55.392 54.840 0.184 0.000 0.836 1042 L CB 0.163 42.322 42.059 0.166 0.000 1.184 1042 L HN 0.448 nan 8.230 nan 0.000 0.444 1043 L N 3.419 124.687 121.223 0.075 0.000 2.492 1043 L HA 0.442 4.781 4.340 -0.001 0.000 0.263 1043 L C 1.361 178.253 176.870 0.035 0.000 1.062 1043 L CA -0.823 54.049 54.840 0.054 0.000 0.817 1043 L CB 0.497 42.589 42.059 0.054 0.000 1.441 1043 L HN 0.524 nan 8.230 nan 0.000 0.493 1044 E N 0.416 120.632 120.200 0.027 0.000 2.097 1044 E HA -0.255 4.094 4.350 -0.001 0.000 0.196 1044 E C 0.486 177.096 176.600 0.015 0.000 1.000 1044 E CA 2.047 58.458 56.400 0.017 0.000 0.804 1044 E CB 0.164 29.872 29.700 0.015 0.000 0.740 1044 E HN 0.753 nan 8.360 nan 0.000 0.454 1045 D N -1.145 119.265 120.400 0.016 0.000 2.510 1045 D HA 0.065 4.704 4.640 -0.001 0.000 0.234 1045 D C 0.439 176.744 176.300 0.007 0.000 1.178 1045 D CA -0.146 53.861 54.000 0.011 0.000 0.816 1045 D CB -0.037 40.769 40.800 0.010 0.000 1.143 1045 D HN 0.260 nan 8.370 nan 0.000 0.526 1046 I N -2.470 118.106 120.570 0.010 0.000 2.802 1046 I HA 0.588 4.757 4.170 -0.001 0.000 0.298 1046 I C -1.588 174.529 176.117 0.001 0.000 1.176 1046 I CA -1.585 59.714 61.300 -0.002 0.000 1.025 1046 I CB 2.415 40.413 38.000 -0.003 0.000 1.243 1046 I HN -0.197 nan 8.210 nan 0.000 0.424 1047 L N 5.003 126.206 121.223 -0.033 0.000 2.325 1047 L HA 0.710 5.049 4.340 -0.001 0.000 0.279 1047 L C -0.768 176.053 176.870 -0.081 0.000 1.054 1047 L CA -0.307 54.508 54.840 -0.042 0.000 0.804 1047 L CB 1.700 43.698 42.059 -0.102 0.000 1.200 1047 L HN 0.533 nan 8.230 nan 0.000 0.436 1048 V N 5.857 125.740 119.914 -0.053 0.000 2.531 1048 V HA 0.435 4.554 4.120 -0.001 0.000 0.301 1048 V C -0.425 175.618 176.094 -0.084 0.000 1.034 1048 V CA -0.628 61.640 62.300 -0.054 0.000 0.865 1048 V CB 1.752 33.580 31.823 0.008 0.000 0.995 1048 V HN 0.528 nan 8.190 nan 0.000 0.424 1049 L N 6.311 127.466 121.223 -0.115 0.000 2.280 1049 L HA 0.668 5.007 4.340 -0.001 0.000 0.287 1049 L C -0.739 176.119 176.870 -0.020 0.000 1.023 1049 L CA -0.225 54.539 54.840 -0.127 0.000 0.819 1049 L CB 1.263 43.166 42.059 -0.259 0.000 1.212 1049 L HN 0.428 nan 8.230 nan 0.000 0.420 1050 L N 2.948 124.181 121.223 0.017 0.000 2.309 1050 L HA 0.574 4.913 4.340 -0.001 0.000 0.261 1050 L C -0.606 176.310 176.870 0.077 0.000 1.021 1050 L CA -0.658 54.212 54.840 0.051 0.000 0.823 1050 L CB 2.405 44.489 42.059 0.041 0.000 1.366 1050 L HN 0.525 nan 8.230 nan 0.000 0.423 1051 Q N 1.112 120.952 119.800 0.067 0.000 2.330 1051 Q HA 0.312 4.651 4.340 -0.001 0.000 0.269 1051 Q C -1.147 174.874 176.000 0.035 0.000 1.022 1051 Q CA -0.732 55.111 55.803 0.067 0.000 0.796 1051 Q CB 2.362 31.142 28.738 0.070 0.000 1.271 1051 Q HN 0.374 nan 8.270 nan 0.000 0.450 1052 K N 3.096 123.515 120.400 0.033 0.000 2.167 1052 K HA 0.085 4.405 4.320 -0.001 0.000 0.275 1052 K C -0.523 176.077 176.600 0.001 0.000 1.103 1052 K CA 0.161 56.445 56.287 -0.004 0.000 0.963 1052 K CB 0.408 32.902 32.500 -0.011 0.000 1.243 1052 K HN 0.346 nan 8.250 nan 0.000 0.407 1053 Q N 3.554 123.353 119.800 -0.002 0.000 2.506 1053 Q HA 0.050 4.390 4.340 -0.001 0.000 0.242 1053 Q C -0.461 175.537 176.000 -0.003 0.000 1.060 1053 Q CA -0.217 55.588 55.803 0.002 0.000 0.826 1053 Q CB 0.989 29.732 28.738 0.009 0.000 1.169 1053 Q HN 0.638 nan 8.270 nan 0.000 0.521 1054 D N 1.162 121.559 120.400 -0.006 0.000 3.845 1054 D HA -0.264 4.375 4.640 -0.001 0.000 0.144 1054 D C 0.494 176.785 176.300 -0.015 0.000 0.889 1054 D CA 1.626 55.622 54.000 -0.008 0.000 1.096 1054 D CB -0.309 40.490 40.800 -0.003 0.000 0.515 1054 D HN 0.476 nan 8.370 nan 0.000 0.525 1055 D N 1.340 121.734 120.400 -0.010 0.000 2.194 1055 D HA 0.012 4.651 4.640 -0.001 0.000 0.204 1055 D C 1.011 177.302 176.300 -0.015 0.000 0.964 1055 D CA 0.797 54.790 54.000 -0.012 0.000 0.846 1055 D CB 0.061 40.859 40.800 -0.003 0.000 0.962 1055 D HN 0.254 nan 8.370 nan 0.000 0.490 1056 R N 0.035 120.529 120.500 -0.009 0.000 2.649 1056 R HA 0.531 4.870 4.340 -0.001 0.000 0.270 1056 R C -0.033 176.256 176.300 -0.018 0.000 1.105 1056 R CA -0.234 55.863 56.100 -0.005 0.000 1.193 1056 R CB 0.828 31.131 30.300 0.005 0.000 1.120 1056 R HN -0.053 nan 8.270 nan 0.000 0.561 1057 L N 1.473 122.689 121.223 -0.011 0.000 2.415 1057 L HA 0.348 4.688 4.340 -0.001 0.000 0.268 1057 L C -1.077 175.799 176.870 0.010 0.000 0.984 1057 L CA -0.926 53.903 54.840 -0.019 0.000 0.853 1057 L CB 1.917 43.945 42.059 -0.051 0.000 1.215 1057 L HN 0.321 nan 8.230 nan 0.000 0.419 1058 V N 3.424 123.351 119.914 0.022 0.000 2.465 1058 V HA 0.290 4.409 4.120 -0.001 0.000 0.279 1058 V C -0.054 176.069 176.094 0.049 0.000 1.045 1058 V CA -0.532 61.789 62.300 0.036 0.000 0.938 1058 V CB 1.961 33.808 31.823 0.040 0.000 0.986 1058 V HN 0.447 nan 8.190 nan 0.000 0.467 1059 L N 7.367 128.620 121.223 0.049 0.000 2.272 1059 L HA 0.663 5.002 4.340 -0.001 0.000 0.284 1059 L C 0.131 177.043 176.870 0.071 0.000 1.045 1059 L CA 0.354 55.229 54.840 0.058 0.000 0.842 1059 L CB -0.078 42.009 42.059 0.047 0.000 1.224 1059 L HN 0.938 nan 8.230 nan 0.000 0.430 1060 R N 2.752 123.311 120.500 0.097 0.000 2.909 1060 R HA 0.829 5.168 4.340 -0.001 0.000 0.262 1060 R C -1.200 175.202 176.300 0.170 0.000 1.095 1060 R CA -0.894 55.273 56.100 0.111 0.000 0.965 1060 R CB 0.583 30.935 30.300 0.087 0.000 1.300 1060 R HN 0.372 nan 8.270 nan 0.000 0.442 1076 F N 3.291 123.304 119.950 0.105 0.000 2.434 1076 F HA 0.631 5.157 4.527 -0.001 0.000 0.358 1076 F C 1.113 177.067 175.800 0.256 0.000 1.136 1076 F CA -0.500 57.602 58.000 0.170 0.000 1.157 1076 F CB 1.090 40.232 39.000 0.237 0.000 1.167 1076 F HN 0.079 nan 8.300 nan 0.000 0.539 1077 S N 5.327 121.234 115.700 0.346 0.000 2.549 1077 S HA 0.141 4.611 4.470 -0.001 0.000 0.279 1077 S C -1.080 173.661 174.600 0.234 0.000 1.321 1077 S CA -1.311 57.037 58.200 0.247 0.000 1.054 1077 S CB 0.778 64.064 63.200 0.145 0.000 0.899 1077 S HN 0.421 nan 8.310 nan 0.000 0.497 1078 P HA 0.083 nan 4.420 nan 0.000 0.236 1078 P C -0.163 177.088 177.300 -0.081 0.000 1.177 1078 P CA 0.313 63.421 63.100 0.013 0.000 0.773 1078 P CB 0.124 31.865 31.700 0.068 0.000 0.878 1079 V N 2.048 121.941 119.914 -0.036 0.000 2.350 1079 V HA 0.255 4.375 4.120 -0.001 0.000 0.276 1079 V C 0.352 176.399 176.094 -0.079 0.000 1.028 1079 V CA -0.571 61.694 62.300 -0.059 0.000 0.860 1079 V CB 1.282 33.099 31.823 -0.011 0.000 0.990 1079 V HN -0.126 nan 8.190 nan 0.000 0.453 1080 I N 6.016 126.496 120.570 -0.149 0.000 2.328 1080 I HA 0.346 4.515 4.170 -0.001 0.000 0.287 1080 I C 0.435 176.508 176.117 -0.073 0.000 1.012 1080 I CA -0.497 60.718 61.300 -0.142 0.000 1.195 1080 I CB 1.041 38.856 38.000 -0.308 0.000 1.350 1080 I HN 0.415 nan 8.210 nan 0.000 0.464 1081 K N 6.628 127.010 120.400 -0.030 0.000 2.402 1081 K HA 0.138 4.457 4.320 -0.001 0.000 0.285 1081 K C 0.877 177.470 176.600 -0.012 0.000 1.054 1081 K CA -0.081 56.198 56.287 -0.014 0.000 1.001 1081 K CB 0.953 33.452 32.500 -0.001 0.000 0.946 1081 K HN 0.646 nan 8.250 nan 0.000 0.473 1082 L N 1.800 123.016 121.223 -0.010 0.000 2.353 1082 L HA -0.177 4.162 4.340 -0.001 0.000 0.220 1082 L C 2.393 179.265 176.870 0.003 0.000 1.133 1082 L CA 0.785 55.622 54.840 -0.004 0.000 0.798 1082 L CB -0.323 41.736 42.059 0.001 0.000 0.922 1082 L HN 0.672 nan 8.230 nan 0.000 0.445 1083 S N -0.603 115.099 115.700 0.003 0.000 2.469 1083 S HA -0.142 4.327 4.470 -0.001 0.000 0.238 1083 S C 1.796 176.400 174.600 0.008 0.000 0.998 1083 S CA 1.703 59.906 58.200 0.006 0.000 0.957 1083 S CB -0.199 63.004 63.200 0.005 0.000 0.764 1083 S HN 0.655 nan 8.310 nan 0.000 0.514 1084 T N -1.871 112.688 114.554 0.009 0.000 3.040 1084 T HA 0.399 4.749 4.350 -0.001 0.000 0.266 1084 T C 0.168 174.880 174.700 0.020 0.000 1.005 1084 T CA -0.314 61.794 62.100 0.014 0.000 0.906 1084 T CB 0.197 69.074 68.868 0.015 0.000 1.082 1084 T HN 0.008 nan 8.240 nan 0.000 0.531 1085 V N 2.280 122.205 119.914 0.018 0.000 2.607 1085 V HA 0.504 4.623 4.120 -0.001 0.000 0.289 1085 V C -0.097 176.015 176.094 0.029 0.000 1.053 1085 V CA -0.655 61.660 62.300 0.025 0.000 0.996 1085 V CB 1.384 33.214 31.823 0.012 0.000 0.995 1085 V HN 0.459 nan 8.190 nan 0.000 0.476 1086 L N 4.714 125.962 121.223 0.043 0.000 2.381 1086 L HA 0.696 5.035 4.340 -0.001 0.000 0.268 1086 L C -0.842 176.067 176.870 0.065 0.000 0.997 1086 L CA -0.687 54.181 54.840 0.046 0.000 0.818 1086 L CB 2.288 44.374 42.059 0.045 0.000 1.310 1086 L HN 0.354 nan 8.230 nan 0.000 0.416 1087 V N 2.812 122.762 119.914 0.060 0.000 2.769 1087 V HA 0.714 4.833 4.120 -0.001 0.000 0.312 1087 V C -0.495 175.646 176.094 0.078 0.000 1.061 1087 V CA -0.818 61.524 62.300 0.071 0.000 0.931 1087 V CB 2.152 34.000 31.823 0.043 0.000 1.010 1087 V HN 0.639 nan 8.190 nan 0.000 0.433 1088 R N 2.025 122.585 120.500 0.101 0.000 2.566 1088 R HA 0.367 4.706 4.340 -0.001 0.000 0.271 1088 R C -0.728 175.586 176.300 0.022 0.000 1.071 1088 R CA -0.699 55.457 56.100 0.093 0.000 0.915 1088 R CB 1.999 32.401 30.300 0.171 0.000 1.228 1088 R HN 0.879 nan 8.270 nan 0.000 0.449 1089 Q N 1.129 120.920 119.800 -0.015 0.000 2.474 1089 Q HA 0.187 4.527 4.340 -0.001 0.000 0.256 1089 Q C -0.630 175.290 176.000 -0.134 0.000 1.048 1089 Q CA 0.112 55.865 55.803 -0.084 0.000 0.922 1089 Q CB 0.890 29.601 28.738 -0.045 0.000 1.288 1089 Q HN 0.321 nan 8.270 nan 0.000 0.484 1090 V N 3.104 122.873 119.914 -0.242 0.000 2.370 1090 V HA 0.247 4.366 4.120 -0.001 0.000 0.283 1090 V C 0.725 176.763 176.094 -0.094 0.000 1.023 1090 V CA 0.088 62.229 62.300 -0.265 0.000 0.857 1090 V CB 0.745 32.241 31.823 -0.546 0.000 0.985 1090 V HN 0.998 nan 8.190 nan 0.000 0.443 1091 A N 4.274 127.089 122.820 -0.007 0.000 1.873 1091 A HA -0.020 4.299 4.320 -0.001 0.000 0.215 1091 A C 1.519 179.105 177.584 0.004 0.000 1.186 1091 A CA 1.772 53.814 52.037 0.008 0.000 0.616 1091 A CB -0.560 18.461 19.000 0.036 0.000 0.823 1091 A HN 0.839 nan 8.150 nan 0.000 0.442 1095 K N 0.790 121.154 120.400 -0.061 0.000 2.502 1095 K HA 0.682 5.001 4.320 -0.001 0.000 0.244 1095 K C -0.709 175.840 176.600 -0.085 0.000 1.249 1095 K CA -0.132 56.117 56.287 -0.064 0.000 1.193 1095 K CB -0.439 32.040 32.500 -0.035 0.000 1.674 1095 K HN 0.509 nan 8.250 nan 0.000 0.302 1096 A N 1.020 123.757 122.820 -0.138 0.000 2.468 1096 A HA 0.892 5.211 4.320 -0.001 0.000 0.270 1096 A C -1.077 176.361 177.584 -0.244 0.000 1.217 1096 A CA -0.667 51.262 52.037 -0.178 0.000 0.908 1096 A CB 1.001 19.887 19.000 -0.190 0.000 1.423 1096 A HN 0.350 nan 8.150 nan 0.000 0.459 1097 L N -1.164 119.894 121.223 -0.276 0.000 2.424 1097 L HA 0.540 4.879 4.340 -0.001 0.000 0.258 1097 L C -1.671 175.039 176.870 -0.266 0.000 0.995 1097 L CA -0.382 54.298 54.840 -0.266 0.000 0.821 1097 L CB 2.044 44.026 42.059 -0.129 0.000 1.383 1097 L HN 0.574 nan 8.230 nan 0.000 0.410 1098 F N 1.550 121.509 119.950 0.015 0.000 2.361 1098 F HA 0.453 4.979 4.527 -0.001 0.000 0.364 1098 F C 0.153 175.976 175.800 0.038 0.000 1.120 1098 F CA -0.846 57.178 58.000 0.040 0.000 1.102 1098 F CB 1.441 40.466 39.000 0.042 0.000 1.183 1098 F HN -0.072 nan 8.300 nan 0.000 0.476 1099 V N 5.555 125.609 119.914 0.233 0.000 2.465 1099 V HA 0.388 4.507 4.120 -0.001 0.000 0.279 1099 V C 0.224 176.465 176.094 0.244 0.000 1.045 1099 V CA -0.564 61.828 62.300 0.154 0.000 0.938 1099 V CB 1.451 33.285 31.823 0.019 0.000 0.986 1099 V HN 0.480 nan 8.190 nan 0.000 0.467 1100 I N 3.567 124.239 120.570 0.171 0.000 2.448 1100 I HA 0.308 4.477 4.170 -0.001 0.000 0.281 1100 I C -0.031 176.157 176.117 0.118 0.000 1.027 1100 I CA -0.071 61.318 61.300 0.148 0.000 1.111 1100 I CB 1.778 39.833 38.000 0.092 0.000 1.236 1100 I HN 0.516 nan 8.210 nan 0.000 0.452 1101 S N 6.935 122.727 115.700 0.153 0.000 2.499 1101 S HA 0.568 5.037 4.470 -0.001 0.000 0.279 1101 S C -0.132 174.499 174.600 0.052 0.000 1.219 1101 S CA -0.594 57.670 58.200 0.106 0.000 1.062 1101 S CB 0.637 63.934 63.200 0.160 0.000 0.978 1101 S HN 0.369 nan 8.310 nan 0.000 0.489 1102 M N 4.219 123.838 119.600 0.031 0.000 2.101 1102 M HA 0.338 4.817 4.480 -0.001 0.000 0.340 1102 M C 0.063 176.365 176.300 0.004 0.000 1.057 1102 M CA -0.381 54.926 55.300 0.011 0.000 0.984 1102 M CB 0.707 33.313 32.600 0.010 0.000 1.560 1102 M HN 0.682 nan 8.290 nan 0.000 0.435 1103 S N 1.222 116.917 115.700 -0.007 0.000 2.767 1103 S HA 0.478 4.948 4.470 -0.001 0.000 0.300 1103 S C 0.392 174.985 174.600 -0.012 0.000 1.123 1103 S CA -0.849 57.345 58.200 -0.010 0.000 0.992 1103 S CB 1.115 64.303 63.200 -0.019 0.000 1.138 1103 S HN 0.557 nan 8.310 nan 0.000 0.550 1104 D N 0.582 120.976 120.400 -0.012 0.000 2.378 1104 D HA 0.012 4.651 4.640 -0.001 0.000 0.222 1104 D C 1.103 177.393 176.300 -0.016 0.000 0.980 1104 D CA 0.643 54.636 54.000 -0.011 0.000 0.907 1104 D CB -0.254 40.540 40.800 -0.009 0.000 0.899 1104 D HN 0.320 nan 8.370 nan 0.000 0.527 1105 N N -0.509 118.178 118.700 -0.022 0.000 2.178 1105 N HA 0.065 4.805 4.740 -0.001 0.000 0.189 1105 N C 1.262 176.754 175.510 -0.029 0.000 1.048 1105 N CA 1.441 54.474 53.050 -0.028 0.000 0.855 1105 N CB 0.339 38.803 38.487 -0.039 0.000 1.028 1105 N HN 0.299 nan 8.380 nan 0.000 0.441 1106 G N -0.976 107.803 108.800 -0.035 0.000 3.078 1106 G HA2 0.571 4.530 3.960 -0.001 0.000 0.131 1106 G HA3 0.571 4.530 3.960 -0.001 0.000 0.131 1106 G C -1.834 173.044 174.900 -0.037 0.000 1.219 1106 G CA 0.429 45.508 45.100 -0.035 0.000 1.319 1106 G HN 0.466 nan 8.290 nan 0.000 0.653 1107 A N -0.357 122.434 122.820 -0.048 0.000 2.422 1107 A HA 0.777 5.096 4.320 -0.001 0.000 0.302 1107 A C -0.840 176.697 177.584 -0.078 0.000 1.041 1107 A CA -0.408 51.603 52.037 -0.043 0.000 0.708 1107 A CB 1.554 20.537 19.000 -0.028 0.000 1.257 1107 A HN 0.489 nan 8.150 nan 0.000 0.414 1108 Q N 0.781 120.531 119.800 -0.083 0.000 2.257 1108 Q HA 0.700 5.039 4.340 -0.001 0.000 0.262 1108 Q C -1.224 174.746 176.000 -0.049 0.000 0.997 1108 Q CA -0.510 55.203 55.803 -0.150 0.000 0.873 1108 Q CB 2.425 30.973 28.738 -0.316 0.000 1.312 1108 Q HN 0.661 nan 8.270 nan 0.000 0.450 1109 I N 1.699 122.251 120.570 -0.030 0.000 2.466 1109 I HA 0.297 4.466 4.170 -0.001 0.000 0.289 1109 I C -1.334 174.803 176.117 0.034 0.000 1.026 1109 I CA -0.768 60.557 61.300 0.041 0.000 1.078 1109 I CB 1.207 39.197 38.000 -0.016 0.000 1.249 1109 I HN 0.519 nan 8.210 nan 0.000 0.429 1110 Y N 4.249 124.663 120.300 0.190 0.000 2.331 1110 Y HA 0.353 4.903 4.550 -0.001 0.000 0.338 1110 Y C 0.242 176.254 175.900 0.186 0.000 0.976 1110 Y CA -0.633 57.547 58.100 0.134 0.000 1.137 1110 Y CB 1.212 39.555 38.460 -0.195 0.000 1.172 1110 Y HN 0.472 nan 8.280 nan 0.000 0.478 1111 E N 4.986 125.434 120.200 0.413 0.000 2.089 1111 E HA 0.418 4.767 4.350 -0.001 0.000 0.284 1111 E C -1.497 175.221 176.600 0.195 0.000 1.023 1111 E CA -0.361 56.232 56.400 0.321 0.000 0.819 1111 E CB 0.488 30.399 29.700 0.352 0.000 1.076 1111 E HN 0.619 nan 8.360 nan 0.000 0.396 1112 L N 4.592 125.823 121.223 0.013 0.000 2.325 1112 L HA 0.466 4.805 4.340 -0.001 0.000 0.281 1112 L C -0.858 175.928 176.870 -0.139 0.000 1.004 1112 L CA -1.121 53.663 54.840 -0.093 0.000 0.823 1112 L CB 1.770 43.675 42.059 -0.257 0.000 1.236 1112 L HN 0.255 nan 8.230 nan 0.000 0.415 1113 V N 2.273 122.126 119.914 -0.102 0.000 2.357 1113 V HA 0.654 4.773 4.120 -0.001 0.000 0.284 1113 V C 0.545 176.574 176.094 -0.108 0.000 1.018 1113 V CA -0.513 61.730 62.300 -0.096 0.000 0.841 1113 V CB 1.253 33.049 31.823 -0.044 0.000 0.991 1113 V HN 0.884 nan 8.190 nan 0.000 0.437 1114 A N 3.831 126.586 122.820 -0.109 0.000 2.246 1114 A HA 0.482 4.801 4.320 -0.001 0.000 0.291 1114 A C 0.925 178.504 177.584 -0.009 0.000 1.103 1114 A CA -0.343 51.658 52.037 -0.060 0.000 0.844 1114 A CB 0.578 19.576 19.000 -0.004 0.000 1.136 1114 A HN 0.832 nan 8.150 nan 0.000 0.500 1115 Q N -0.725 119.091 119.800 0.027 0.000 2.331 1115 Q HA 0.061 4.400 4.340 -0.001 0.000 0.203 1115 Q C 0.181 176.198 176.000 0.028 0.000 0.944 1115 Q CA 1.292 57.112 55.803 0.028 0.000 0.892 1115 Q CB -0.071 28.692 28.738 0.043 0.000 0.983 1115 Q HN 0.885 nan 8.270 nan 0.000 0.482 1116 T N -4.115 110.462 114.554 0.038 0.000 2.883 1116 T HA 0.347 4.696 4.350 -0.001 0.000 0.296 1116 T C 0.988 175.705 174.700 0.029 0.000 1.117 1116 T CA -0.780 61.339 62.100 0.030 0.000 1.006 1116 T CB 1.535 70.423 68.868 0.034 0.000 1.191 1116 T HN -0.200 nan 8.240 nan 0.000 0.508 1117 V N 1.287 121.211 119.914 0.017 0.000 2.343 1117 V HA -0.171 3.948 4.120 -0.001 0.000 0.247 1117 V C 2.882 178.989 176.094 0.022 0.000 1.051 1117 V CA 2.423 64.731 62.300 0.012 0.000 1.036 1117 V CB -1.312 30.514 31.823 0.004 0.000 0.654 1117 V HN 1.006 nan 8.190 nan 0.000 0.451 1118 S N -0.366 115.348 115.700 0.024 0.000 2.359 1118 S HA -0.294 4.175 4.470 -0.001 0.000 0.224 1118 S C 2.041 176.662 174.600 0.035 0.000 1.035 1118 S CA 2.030 60.243 58.200 0.023 0.000 1.018 1118 S CB -0.316 62.896 63.200 0.019 0.000 0.876 1118 S HN 0.800 nan 8.310 nan 0.000 0.448 1119 E N 1.463 121.703 120.200 0.066 0.000 2.107 1119 E HA -0.200 4.149 4.350 -0.001 0.000 0.191 1119 E C 1.772 178.481 176.600 0.181 0.000 0.982 1119 E CA 1.240 57.708 56.400 0.112 0.000 0.809 1119 E CB -0.069 29.736 29.700 0.175 0.000 0.756 1119 E HN 0.526 nan 8.360 nan 0.000 0.459 1120 K N -0.096 120.400 120.400 0.160 0.000 2.362 1120 K HA -0.027 4.292 4.320 -0.001 0.000 0.200 1120 K C 1.635 178.290 176.600 0.092 0.000 1.046 1120 K CA 1.769 58.147 56.287 0.152 0.000 0.952 1120 K CB -0.335 32.189 32.500 0.040 0.000 0.753 1120 K HN 0.002 nan 8.250 nan 0.000 0.466 1121 T N -0.208 114.373 114.554 0.045 0.000 2.942 1121 T HA 0.007 4.356 4.350 -0.001 0.000 0.265 1121 T C 1.896 176.585 174.700 -0.019 0.000 1.062 1121 T CA 0.791 62.897 62.100 0.011 0.000 1.139 1121 T CB -0.270 68.598 68.868 0.000 0.000 0.883 1121 T HN 0.015 nan 8.240 nan 0.000 0.468 1122 V N 0.113 119.995 119.914 -0.052 0.000 2.295 1122 V HA -0.152 3.967 4.120 -0.001 0.000 0.246 1122 V C 2.154 178.085 176.094 -0.272 0.000 1.049 1122 V CA 1.404 63.600 62.300 -0.174 0.000 1.024 1122 V CB -0.733 30.959 31.823 -0.219 0.000 0.648 1122 V HN 0.552 nan 8.190 nan 0.000 0.447 1123 W N 0.095 121.222 121.300 -0.288 0.000 2.335 1123 W HA -0.262 4.397 4.660 -0.001 0.000 0.311 1123 W C 2.784 179.188 176.519 -0.191 0.000 1.213 1123 W CA 2.100 59.261 57.345 -0.307 0.000 1.274 1123 W CB -0.312 29.016 29.460 -0.220 0.000 1.148 1123 W HN 0.235 nan 8.180 nan 0.000 0.498 1124 Q N 0.339 120.203 119.800 0.106 0.000 2.050 1124 Q HA -0.238 4.101 4.340 -0.001 0.000 0.202 1124 Q C 1.614 177.619 176.000 0.008 0.000 0.980 1124 Q CA 2.201 58.032 55.803 0.046 0.000 0.840 1124 Q CB -0.342 28.410 28.738 0.023 0.000 0.898 1124 Q HN 0.103 nan 8.270 nan 0.000 0.424 1125 D N 0.159 120.545 120.400 -0.022 0.000 2.144 1125 D HA -0.124 4.515 4.640 -0.001 0.000 0.199 1125 D C 1.857 178.128 176.300 -0.048 0.000 0.984 1125 D CA 1.038 55.017 54.000 -0.035 0.000 0.834 1125 D CB -0.015 40.757 40.800 -0.047 0.000 0.955 1125 D HN 0.296 nan 8.370 nan 0.000 0.465 1126 L N -0.149 121.021 121.223 -0.089 0.000 2.095 1126 L HA 0.016 4.355 4.340 -0.001 0.000 0.204 1126 L C 2.344 179.190 176.870 -0.040 0.000 1.080 1126 L CA 0.381 55.164 54.840 -0.096 0.000 0.759 1126 L CB -0.167 41.767 42.059 -0.208 0.000 0.914 1126 L HN 0.013 nan 8.230 nan 0.000 0.439 1127 I N -0.486 120.083 120.570 -0.002 0.000 2.208 1127 I HA -0.360 3.810 4.170 -0.001 0.000 0.245 1127 I C 2.576 178.702 176.117 0.015 0.000 1.097 1127 I CA 1.260 62.580 61.300 0.034 0.000 1.363 1127 I CB -0.367 37.676 38.000 0.072 0.000 1.051 1127 I HN 0.387 nan 8.210 nan 0.000 0.413 1128 C N 0.145 119.451 119.300 0.010 0.000 2.440 1128 C HA -0.103 4.356 4.460 -0.001 0.000 0.278 1128 C C 2.862 177.852 174.990 0.001 0.000 1.295 1128 C CA 0.525 59.547 59.018 0.007 0.000 1.738 1128 C CB -1.255 26.489 27.740 0.007 0.000 1.987 1128 C HN 0.412 nan 8.230 nan 0.000 0.492 1129 R N 0.166 120.662 120.500 -0.007 0.000 2.073 1129 R HA -0.104 4.236 4.340 -0.001 0.000 0.234 1129 R C 2.281 178.578 176.300 -0.005 0.000 1.134 1129 R CA 1.417 57.511 56.100 -0.009 0.000 0.952 1129 R CB -0.214 30.075 30.300 -0.019 0.000 0.850 1129 R HN 0.413 nan 8.270 nan 0.000 0.433 1130 M N -0.525 119.073 119.600 -0.003 0.000 2.254 1130 M HA 0.009 4.488 4.480 -0.001 0.000 0.265 1130 M C 2.302 178.605 176.300 0.005 0.000 1.066 1130 M CA 1.207 56.508 55.300 0.002 0.000 1.123 1130 M CB -0.761 31.842 32.600 0.006 0.000 1.388 1130 M HN 0.187 nan 8.290 nan 0.000 0.425 1131 A N 0.077 122.900 122.820 0.006 0.000 1.897 1131 A HA 0.135 4.455 4.320 -0.001 0.000 0.215 1131 A C 2.332 179.920 177.584 0.006 0.000 1.181 1131 A CA 1.690 53.732 52.037 0.007 0.000 0.620 1131 A CB -0.702 18.305 19.000 0.010 0.000 0.821 1131 A HN 0.446 nan 8.150 nan 0.000 0.443 1132 A N -1.109 121.715 122.820 0.005 0.000 2.119 1132 A HA 0.074 4.394 4.320 -0.001 0.000 0.216 1132 A C 2.304 179.890 177.584 0.004 0.000 1.152 1132 A CA 1.646 53.685 52.037 0.005 0.000 0.708 1132 A CB -0.562 18.441 19.000 0.004 0.000 0.805 1132 A HN 0.482 nan 8.150 nan 0.000 0.460 1133 S N -0.634 115.068 115.700 0.003 0.000 2.371 1133 S HA -0.086 4.384 4.470 -0.001 0.000 0.224 1133 S C 1.861 176.463 174.600 0.004 0.000 1.029 1133 S CA 1.501 59.703 58.200 0.003 0.000 0.978 1133 S CB -0.287 62.913 63.200 0.002 0.000 0.833 1133 S HN 0.280 nan 8.310 nan 0.000 0.466 1134 V N 1.874 121.791 119.914 0.004 0.000 2.379 1134 V HA -0.056 4.063 4.120 -0.001 0.000 0.245 1134 V C 2.297 178.394 176.094 0.005 0.000 1.044 1134 V CA 1.645 63.948 62.300 0.005 0.000 1.036 1134 V CB -0.546 31.280 31.823 0.005 0.000 0.664 1134 V HN 0.432 nan 8.190 nan 0.000 0.453 1135 K N -0.306 120.097 120.400 0.005 0.000 2.283 1135 K HA -0.146 4.174 4.320 -0.001 0.000 0.202 1135 K C 2.144 178.747 176.600 0.005 0.000 1.048 1135 K CA 1.027 57.317 56.287 0.005 0.000 0.948 1135 K CB -0.067 32.437 32.500 0.006 0.000 0.742 1135 K HN 0.483 nan 8.250 nan 0.000 0.458 1136 E N 0.936 121.139 120.200 0.004 0.000 2.076 1136 E HA -0.135 4.214 4.350 -0.001 0.000 0.190 1136 E C 1.883 178.485 176.600 0.004 0.000 0.979 1136 E CA 0.819 57.222 56.400 0.004 0.000 0.807 1136 E CB 0.216 29.918 29.700 0.003 0.000 0.761 1136 E HN 0.326 nan 8.360 nan 0.000 0.454 1137 Q N 0.471 120.273 119.800 0.004 0.000 2.364 1137 Q HA -0.044 4.295 4.340 -0.001 0.000 0.207 1137 Q C 1.340 177.343 176.000 0.004 0.000 0.970 1137 Q CA 0.120 55.925 55.803 0.004 0.000 0.888 1137 Q CB 0.123 28.863 28.738 0.005 0.000 0.951 1137 Q HN -0.016 nan 8.270 nan 0.000 0.469 1138 S N 0.000 115.702 115.700 0.004 0.000 2.498 1138 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1138 S CA 0.000 58.202 58.200 0.004 0.000 1.107 1138 S CB 0.000 63.202 63.200 0.004 0.000 0.593 1138 S HN 0.000 nan 8.310 nan 0.000 0.517