#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqx h GLN 652 N 0.00 0.00 0.00 1.45 4.20 -2.08 -3.43 115.11 115.25 2aqx h GLN 652 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2aqx h GLN 652 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2aqx h GLN 652 CO 0.00 0.17 0.00 -2.67 -0.67 0.00 0.00 178.83 175.66 2aqx n TRP 653 N -3.18 0.00 -3.89 2.96 4.27 -1.26 -5.06 117.44 111.27 2aqx n TRP 653 Ca 0.02 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.33 2aqx n TRP 653 Cb 0.53 0.02 -0.15 0.00 -1.36 0.00 0.00 31.31 30.35 2aqx n TRP 653 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2aqx s SER 654 N 0.00 4.18 0.33 -0.67 0.15 -1.26 -4.97 113.70 111.46 2aqx s SER 654 Ca 0.00 -1.64 0.17 0.00 0.70 0.00 0.00 55.95 55.18 2aqx s SER 654 Cb 0.00 -1.20 0.22 0.00 -1.71 0.00 0.00 66.02 63.33 2aqx s SER 654 CO 0.00 -0.35 1.52 1.55 1.20 0.00 0.00 173.24 177.17 2aqx h PRO 655 N 7.90 0.00 -3.16 5.44 0.13 -1.97 -3.44 132.00 136.90 2aqx h PRO 655 Ca -0.12 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.04 2aqx h PRO 655 Cb 1.04 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.09 2aqx h PRO 655 CO 0.47 0.39 0.14 -0.59 -0.23 0.00 0.00 178.00 178.17 2aqx s PHE 656 N -3.09 -0.12 0.08 1.56 -0.12 -1.26 -5.14 117.98 109.89 2aqx s PHE 656 Ca 0.04 -0.29 -0.09 0.00 -0.05 0.00 0.00 56.93 56.55 2aqx s PHE 656 Cb 0.07 0.56 -0.06 0.00 -0.63 0.00 0.00 43.02 42.97 2aqx s PHE 656 CO 0.72 -1.11 0.37 0.08 -0.05 0.00 0.00 175.22 175.23 2aqx s VAL 657 N -3.91 5.14 -0.01 -2.49 1.01 -1.26 -5.11 120.40 113.77 2aqx s VAL 657 Ca 0.12 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.47 2aqx s VAL 657 Cb -0.04 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2aqx s VAL 657 CO 0.04 0.26 -0.08 -0.04 0.00 0.00 0.00 175.10 175.29 2aqx s MET 658 N -2.00 2.55 -0.04 2.72 -1.94 -1.26 -5.13 119.30 114.21 2aqx s MET 658 Ca 0.33 -0.71 -0.02 0.00 -1.71 0.00 0.00 55.69 53.59 2aqx s MET 658 Cb -0.14 -2.49 0.03 0.00 2.01 0.00 0.00 34.83 34.24 2aqx s MET 658 CO 0.19 0.61 0.09 0.45 -0.01 0.00 0.00 175.02 176.35 2aqx s SER 659 N -1.28 -0.04 0.15 3.03 0.15 -1.26 -5.15 113.70 109.29 2aqx s SER 659 Ca 0.16 0.17 -0.14 0.00 0.70 0.00 0.00 55.95 56.84 2aqx s SER 659 Cb -0.11 0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.32 2aqx s SER 659 CO 0.06 -0.11 0.40 0.72 1.20 0.00 0.00 173.24 175.51 2aqx s PHE 660 N 0.81 -0.03 0.18 3.44 -0.12 -1.26 -5.17 117.98 115.84 2aqx s PHE 660 Ca -0.06 -0.32 -0.16 0.00 -0.05 0.00 0.00 56.93 56.33 2aqx s PHE 660 Cb -0.09 0.21 -0.07 0.00 -0.63 0.00 0.00 43.02 42.44 2aqx s PHE 660 CO -0.03 -0.76 0.62 0.15 -0.05 0.00 0.00 175.22 175.15 2aqx s LYS 661 N -3.86 4.08 0.21 1.99 1.02 -1.26 -5.10 119.74 116.82 2aqx s LYS 661 Ca 0.08 0.63 0.08 0.00 0.02 0.00 0.00 55.97 56.78 2aqx s LYS 661 Cb 0.02 -2.90 -0.05 0.00 -0.52 0.00 0.00 37.83 34.38 2aqx s LYS 661 CO -0.07 0.44 -0.14 0.15 -0.92 0.00 0.00 175.35 174.81 2aqx s LYS 662 N -1.99 1.33 0.10 1.68 1.02 -1.26 -5.17 119.74 115.44 2aqx s LYS 662 Ca 0.40 -1.59 0.08 0.00 0.02 0.00 0.00 55.97 54.88 2aqx s LYS 662 Cb -0.15 -1.12 -0.03 0.00 -0.52 0.00 0.00 37.83 36.00 2aqx s LYS 662 CO 0.20 0.18 -0.21 0.15 -0.92 0.00 0.00 175.35 174.75 2aqx s LYS 663 N -3.64 1.16 -0.01 1.68 1.02 -1.26 -5.15 119.74 113.54 2aqx s LYS 663 Ca 0.23 -1.14 -0.06 0.00 0.02 0.00 0.00 55.97 55.01 2aqx s LYS 663 Cb -0.01 -1.42 0.00 0.00 -0.52 0.00 0.00 37.83 35.88 2aqx s LYS 663 CO 0.07 0.33 0.12 1.52 -0.92 0.00 0.00 175.35 176.47 2aqx s TYR 664 N -1.12 0.03 0.15 3.18 -0.85 -1.26 -5.13 117.35 112.35 2aqx s TYR 664 Ca 0.07 -0.08 -0.31 0.00 -0.52 0.00 0.00 57.07 56.23 2aqx s TYR 664 Cb -0.10 -0.04 -0.08 0.00 0.38 0.00 0.00 41.96 42.11 2aqx s TYR 664 CO 0.04 -0.23 1.39 -1.25 -1.52 0.00 0.00 175.55 173.97 2aqx s PRO 665 N -1.11 4.32 0.62 -3.49 0.04 -1.26 -5.01 135.00 129.12 2aqx s PRO 665 Ca -0.12 2.11 -0.15 0.00 0.04 0.00 0.00 61.00 62.87 2aqx s PRO 665 Cb -0.07 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 2aqx s PRO 665 CO 0.01 -0.40 1.08 -0.46 0.04 0.00 0.00 177.00 177.27 2aqx s TRP 666 N 0.79 2.82 -0.20 0.56 -0.00 -1.26 -5.04 118.94 116.60 2aqx s TRP 666 Ca 0.63 1.53 -0.02 0.00 -0.00 0.00 0.00 56.10 58.24 2aqx s TRP 666 Cb -0.38 -3.08 0.00 0.00 -0.00 0.00 0.00 33.47 30.01 2aqx s TRP 666 CO 0.33 -1.39 -0.11 0.42 -0.00 0.00 0.00 176.95 176.20 2aqx s ILE 667 N -2.40 2.79 -0.31 5.86 1.01 -1.26 -5.10 121.20 121.80 2aqx s ILE 667 Ca 0.65 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 2aqx s ILE 667 Cb -0.18 -2.24 0.05 0.00 0.01 0.00 0.00 42.46 40.10 2aqx s ILE 667 CO 0.39 0.47 0.02 -1.58 0.00 0.00 0.00 174.94 174.23 2aqx s GLN 668 N 1.39 2.43 0.00 2.79 0.74 -1.26 -5.04 119.66 120.71 2aqx s GLN 668 Ca 0.05 -1.28 0.00 0.00 0.05 0.00 0.00 55.36 54.19 2aqx s GLN 668 Cb -0.14 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.75 2aqx s GLN 668 CO -0.07 -0.64 0.00 1.28 -0.55 0.00 0.00 175.29 175.30 2aqx n LEU 669 N 4.64 0.43 0.00 3.68 4.77 -1.26 -4.98 117.00 124.28 2aqx n LEU 669 Ca -0.13 0.33 -0.21 0.00 -0.03 0.00 0.00 56.01 55.98 2aqx n LEU 669 Cb 0.43 -0.41 0.12 0.00 -2.33 0.00 0.00 43.42 41.24 2aqx n LEU 669 CO 0.27 -0.41 0.56 0.00 -1.33 0.00 0.00 177.39 176.48 2aqx n ALA 670 N -1.84 -0.37 0.00 -1.18 0.00 -1.26 -4.94 120.51 110.92 2aqx n ALA 670 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.90 2aqx n ALA 670 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2aqx n ALA 670 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqx n GLY 671 N -1.61 -0.28 3.98 0.00 0.00 -1.26 -5.01 105.19 101.00 2aqx n GLY 671 Ca 0.14 -1.82 -0.20 0.00 0.00 0.00 0.00 46.02 44.14 2aqx n GLY 671 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aqx s HIS 672 N -1.42 3.31 0.15 1.61 3.76 -1.26 -5.07 115.29 116.37 2aqx s HIS 672 Ca 0.00 -0.10 -0.34 0.00 -0.15 0.00 0.00 55.06 54.46 2aqx s HIS 672 Cb 0.00 -1.75 -0.14 0.00 1.11 0.00 0.00 32.58 31.80 2aqx s HIS 672 CO 0.00 0.25 1.56 0.00 -0.85 0.00 0.00 174.74 175.70 2aqx n ALA 673 N -1.51 1.15 0.00 -1.40 0.00 -1.26 -2.74 120.51 114.75 2aqx n ALA 673 Ca -0.05 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2aqx n ALA 673 Cb 0.57 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2aqx n ALA 673 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqx n GLY 674 N 3.34 0.40 0.16 0.00 0.00 -1.26 -4.94 105.19 102.90 2aqx n GLY 674 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 2aqx n GLY 674 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2aqx h SER 675 N 0.00 0.00 -4.58 1.61 0.02 -1.90 -3.45 113.55 105.26 2aqx h SER 675 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 2aqx h SER 675 Cb 0.00 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.31 2aqx h SER 675 CO 0.00 0.00 -0.73 -0.36 -1.14 0.00 0.00 176.83 174.60 2aqx s PHE 676 N -3.35 0.55 0.03 3.45 0.40 -1.26 -0.25 117.98 117.56 2aqx s PHE 676 Ca 0.05 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 55.98 2aqx s PHE 676 Cb 0.09 -0.34 -0.03 0.00 0.51 0.00 0.00 43.02 43.26 2aqx s PHE 676 CO 0.47 -0.08 -0.03 0.15 0.70 0.00 0.00 175.22 176.43 2aqx s LYS 677 N -1.21 0.42 0.58 0.44 3.01 0.90 -4.96 119.74 118.91 2aqx s LYS 677 Ca -0.08 -0.81 -0.19 0.00 -1.01 0.00 0.00 55.97 53.88 2aqx s LYS 677 Cb -0.08 0.11 -0.04 0.00 -1.01 0.00 0.00 37.83 36.81 2aqx s LYS 677 CO 0.00 -0.06 1.21 0.00 0.51 0.00 0.00 175.35 177.01 2aqx s ALA 678 N -2.20 2.58 0.29 5.17 0.00 -1.26 -0.84 121.76 125.50 2aqx s ALA 678 Ca -0.09 1.01 0.04 0.00 0.00 0.00 0.00 51.96 52.92 2aqx s ALA 678 Cb -0.05 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 2aqx s ALA 678 CO -0.04 -1.12 0.25 0.00 0.00 0.00 0.00 175.76 174.85 2aqx s ALA 679 N -1.59 1.55 0.76 0.00 0.00 -0.43 -4.72 121.76 117.34 2aqx s ALA 679 Ca 0.76 -1.91 -0.11 0.00 0.00 0.00 0.00 51.96 50.70 2aqx s ALA 679 Cb -0.30 1.43 0.05 0.00 0.00 0.00 0.00 23.12 24.29 2aqx s ALA 679 CO 0.33 -0.65 1.09 0.00 0.00 0.00 0.00 175.76 176.53 2aqx s ALA 680 N -3.66 2.49 -1.48 0.00 0.00 -1.26 -4.08 121.76 113.78 2aqx s ALA 680 Ca 0.39 -0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 2aqx s ALA 680 Cb 0.04 -3.09 0.06 0.00 0.00 0.00 0.00 23.12 20.13 2aqx s ALA 680 CO 0.22 -1.49 1.03 0.09 0.00 0.00 0.00 175.76 175.61 2aqx n ASN 681 N -3.27 -5.11 -0.73 0.00 3.02 -1.26 -1.62 115.26 106.29 2aqx n ASN 681 Ca 0.07 -0.71 -0.08 0.00 -0.03 0.00 0.00 54.58 53.83 2aqx n ASN 681 Cb 0.56 -4.22 -0.02 0.00 -0.61 0.00 0.00 39.78 35.49 2aqx n ASN 681 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aqx n GLY 682 N -1.77 0.59 3.69 7.41 0.00 -1.26 -4.96 105.19 108.88 2aqx n GLY 682 Ca 0.02 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 2aqx n GLY 682 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aqx s ARG 683 N -3.41 2.31 0.02 1.61 0.52 -0.64 0.93 118.95 120.29 2aqx s ARG 683 Ca 0.00 -1.53 -0.03 0.00 -0.52 0.00 0.00 55.73 53.64 2aqx s ARG 683 Cb 0.00 -2.13 -0.01 0.00 0.52 0.00 0.00 34.95 33.32 2aqx s ARG 683 CO 0.00 0.20 0.05 0.42 0.02 0.00 0.00 175.30 175.99 2aqx s ILE 684 N -2.41 0.11 -0.20 1.52 1.09 -0.32 -1.31 121.20 119.68 2aqx s ILE 684 Ca 0.35 -0.92 0.00 0.00 -1.10 0.00 0.00 60.65 58.99 2aqx s ILE 684 Cb -0.03 -0.49 0.02 0.00 -1.06 0.00 0.00 42.46 40.89 2aqx s ILE 684 CO 0.21 -0.50 -0.16 -0.76 -0.10 0.00 0.00 174.94 173.63 2aqx s LEU 685 N -1.63 2.44 -0.11 2.97 1.43 -0.02 -1.79 118.68 121.98 2aqx s LEU 685 Ca -0.12 -0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 52.22 2aqx s LEU 685 Cb -0.07 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 2aqx s LEU 685 CO -0.01 -0.03 0.07 -0.75 0.23 0.00 0.00 176.35 175.86 2aqx s LYS 686 N 1.30 3.26 0.20 1.70 2.20 -0.48 -0.07 119.74 127.85 2aqx s LYS 686 Ca 0.03 -0.28 -0.32 0.00 -0.36 0.00 0.00 55.97 55.04 2aqx s LYS 686 Cb -0.14 -3.01 -0.14 0.00 -1.51 0.00 0.00 37.83 33.03 2aqx s LYS 686 CO -0.10 0.71 1.34 1.63 -0.36 0.00 0.00 175.35 178.56 2aqx n LYS 687 N 2.17 1.69 -1.92 4.03 5.02 0.65 -0.15 118.16 129.65 2aqx n LYS 687 Ca -0.19 0.60 -0.40 0.00 -2.02 0.00 0.00 58.31 56.31 2aqx n LYS 687 Cb 0.54 -2.22 0.01 0.00 -0.02 0.00 0.00 35.03 33.34 2aqx n LYS 687 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2aqx s HIS 688 N 0.04 2.64 -0.20 2.13 5.65 0.13 -4.50 115.29 121.18 2aqx s HIS 688 Ca 0.72 1.33 -0.07 0.00 0.25 0.00 0.00 55.06 57.29 2aqx s HIS 688 Cb -0.74 -3.80 0.09 0.00 -1.18 0.00 0.00 32.58 26.94 2aqx s HIS 688 CO 0.49 -2.52 0.42 0.00 -0.65 0.00 0.00 174.74 172.48 2aqx h GLU 690 N 8.03 0.23 0.00 0.00 4.57 -1.95 -1.36 114.58 124.09 2aqx h GLU 690 Ca -0.18 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2aqx h GLU 690 Cb 1.12 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 2aqx h GLU 690 CO 0.14 0.15 0.00 0.66 -1.18 0.00 0.00 179.01 178.78 2aqx h SER 691 N 0.23 0.00 0.17 1.04 4.64 -1.88 -1.41 113.55 116.34 2aqx h SER 691 Ca 0.09 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.13 2aqx h SER 691 Cb 0.02 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.14 2aqx h SER 691 CO -0.06 0.00 -1.18 -0.08 -0.87 0.00 0.00 176.83 174.65 2aqx h GLU 692 N 0.00 0.50 -0.87 4.77 4.81 -1.37 -2.95 114.58 119.47 2aqx h GLU 692 Ca 0.00 -0.76 0.00 0.00 -0.13 0.00 0.00 59.36 58.47 2aqx h GLU 692 Cb 0.40 0.27 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 2aqx h GLU 692 CO 0.00 1.35 0.54 0.37 -0.73 0.00 0.00 179.01 180.55 2aqx h GLN 693 N 0.04 1.16 -0.52 1.92 4.15 -0.73 -0.55 115.11 120.58 2aqx h GLN 693 Ca -0.19 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.14 2aqx h GLN 693 Cb 1.90 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 29.31 2aqx h GLN 693 CO 0.22 0.80 0.34 0.00 -1.93 0.00 0.00 178.83 178.26 2aqx h ARG 694 N 1.18 0.69 -0.42 1.69 3.08 -1.34 -1.32 114.38 117.94 2aqx h ARG 694 Ca 0.31 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 2aqx h ARG 694 Cb -0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 2aqx h ARG 694 CO -0.06 0.47 0.23 0.00 -1.07 0.00 0.00 179.97 179.53 2aqx h LEU 696 N 0.54 0.33 -0.03 0.00 3.38 -0.97 0.11 115.31 118.67 2aqx h LEU 696 Ca 0.15 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2aqx h LEU 696 Cb 0.06 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2aqx h LEU 696 CO -0.02 0.64 -0.00 0.44 0.09 0.00 0.00 178.44 179.58 2aqx h ASP 697 N 0.28 0.05 -0.91 -0.43 3.32 -1.17 -2.26 116.42 115.30 2aqx h ASP 697 Ca 0.04 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 2aqx h ASP 697 Cb 0.71 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 2aqx h ASP 697 CO 0.05 0.36 0.51 0.03 -1.72 0.00 0.00 179.24 178.47 2aqx h ARG 698 N -0.25 1.27 0.00 3.56 2.47 -1.10 -3.09 114.38 117.24 2aqx h ARG 698 Ca 0.01 -0.14 -0.12 0.00 -1.26 0.00 0.00 59.98 58.46 2aqx h ARG 698 Cb 0.33 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 2aqx h ARG 698 CO 0.00 0.92 -0.59 -0.07 0.56 0.00 0.00 179.97 180.80 2aqx h LEU 699 N 1.28 0.00 -2.46 3.04 3.38 -0.83 -2.58 115.31 117.14 2aqx h LEU 699 Ca 0.32 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.30 2aqx h LEU 699 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2aqx h LEU 699 CO -0.05 0.59 0.03 0.24 0.09 0.00 0.00 178.44 179.33 2aqx h MET 700 N 0.00 0.00 -0.00 1.13 2.86 -1.31 -2.48 114.93 115.13 2aqx h MET 700 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2aqx h MET 700 Cb 1.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 2aqx h MET 700 CO 0.08 0.00 -0.96 0.00 1.06 0.00 0.00 176.91 177.09 2aqx n ALA 701 N -2.31 4.67 -2.55 6.32 0.00 -0.99 -4.83 120.51 120.82 2aqx n ALA 701 Ca -0.02 -0.59 -0.27 0.00 0.00 0.00 0.00 53.44 52.55 2aqx n ALA 701 Cb 0.11 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 2aqx n ALA 701 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2aqx s ASP 702 N -2.94 6.37 0.54 0.00 2.15 -0.93 -4.99 116.67 116.87 2aqx s ASP 702 Ca 0.08 0.64 0.26 0.00 0.43 0.00 0.00 52.55 53.96 2aqx s ASP 702 Cb 0.16 -2.11 1.42 0.00 -0.30 0.00 0.00 42.92 42.09 2aqx s ASP 702 CO 0.84 -0.27 2.00 -0.37 -0.17 0.00 0.00 175.17 177.21 2aqx h VAL 703 N 1.04 0.69 0.00 1.11 -1.51 -1.94 0.10 116.25 115.74 2aqx h VAL 703 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2aqx h VAL 703 Cb 1.20 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 2aqx h VAL 703 CO 0.64 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 177.16 2aqx n LEU 704 N -4.29 0.14 -0.33 4.19 4.77 -1.26 -4.10 117.00 116.13 2aqx n LEU 704 Ca 0.09 0.55 0.14 0.00 -0.03 0.00 0.00 56.01 56.76 2aqx n LEU 704 Cb 0.58 -0.55 0.29 0.00 -2.33 0.00 0.00 43.42 41.41 2aqx n LEU 704 CO 0.35 -0.48 0.84 -0.09 -1.33 0.00 0.00 177.39 176.68 2aqx h ARG 705 N 0.00 0.04 0.00 3.23 2.43 -1.05 0.53 114.38 119.56 2aqx h ARG 705 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2aqx h ARG 705 Cb 0.12 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2aqx h ARG 705 CO 0.00 0.03 0.00 -2.30 -1.51 0.00 0.00 179.97 176.19 2aqx n PRO 706 N -5.43 0.02 -0.26 0.20 -0.02 -1.26 -2.32 135.00 125.93 2aqx n PRO 706 Ca 0.23 0.38 0.07 0.00 -2.02 0.00 0.00 63.50 62.16 2aqx n PRO 706 Cb 0.75 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.91 2aqx n PRO 706 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2aqx n PHE 707 N -1.45 0.58 -4.11 6.00 3.01 0.18 -4.96 117.46 116.70 2aqx n PHE 707 Ca 0.01 -0.71 -0.11 0.00 1.01 0.00 0.00 57.45 57.66 2aqx n PHE 707 Cb 0.05 -0.16 -0.11 0.00 -0.01 0.00 0.00 39.48 39.25 2aqx n PHE 707 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2aqx s VAL 708 N -1.94 0.58 0.38 -4.37 -7.23 -0.98 0.17 120.40 107.01 2aqx s VAL 708 Ca 0.30 -1.55 -0.27 0.00 -1.81 0.00 0.00 61.98 58.65 2aqx s VAL 708 Cb 0.22 -1.19 -0.09 0.00 0.56 0.00 0.00 36.38 35.87 2aqx s VAL 708 CO 0.10 -0.67 1.32 -2.84 -0.31 0.00 0.00 175.10 172.70 2aqx s PRO 709 N -2.85 4.10 0.13 4.82 0.02 -1.26 -4.92 135.00 135.04 2aqx s PRO 709 Ca 0.02 2.22 -0.31 0.00 0.02 0.00 0.00 61.00 62.94 2aqx s PRO 709 Cb -0.01 -2.87 -0.11 0.00 0.02 0.00 0.00 34.50 31.53 2aqx s PRO 709 CO -0.03 -0.40 1.83 0.00 -0.33 0.00 0.00 177.00 178.07 2aqx n ALA 710 N 0.37 2.27 -2.66 -1.55 0.00 -1.26 -4.70 120.51 112.97 2aqx n ALA 710 Ca 0.02 0.32 -0.37 0.00 0.00 0.00 0.00 53.44 53.41 2aqx n ALA 710 Cb 0.43 -2.59 -0.06 0.00 0.00 0.00 0.00 19.45 17.22 2aqx n ALA 710 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2aqx s TYR 711 N 2.62 3.67 -0.06 0.00 5.04 -1.26 -1.05 117.35 126.30 2aqx s TYR 711 Ca 0.81 0.80 0.09 0.00 -2.44 0.00 0.00 57.07 56.33 2aqx s TYR 711 Cb -0.48 -2.14 0.13 0.00 0.35 0.00 0.00 41.96 39.82 2aqx s TYR 711 CO 0.37 0.68 1.02 0.72 -1.34 0.00 0.00 175.55 177.00 2aqx n HIS 712 N 1.82 0.00 0.00 4.97 8.25 0.73 -4.99 115.22 126.00 2aqx n HIS 712 Ca -0.16 -0.61 0.00 0.00 -0.26 0.00 0.00 57.72 56.69 2aqx n HIS 712 Cb 0.53 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.55 2aqx n HIS 712 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2aqx n GLY 713 N -0.81 1.37 3.84 -1.41 0.00 -1.24 -4.82 105.19 102.11 2aqx n GLY 713 Ca 0.07 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 2aqx n GLY 713 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2aqx s ASP 714 N -0.27 5.82 0.11 1.61 -4.77 -1.26 -0.68 116.67 117.23 2aqx s ASP 714 Ca 0.00 1.56 -0.08 0.00 -3.30 0.00 0.00 52.55 50.73 2aqx s ASP 714 Cb 0.00 -2.49 -0.01 0.00 -1.09 0.00 0.00 42.92 39.33 2aqx s ASP 714 CO 0.00 -1.14 0.19 0.54 0.70 0.00 0.00 175.17 175.46 2aqx s VAL 715 N -3.01 0.12 -0.26 2.11 0.11 0.13 -4.85 120.40 114.76 2aqx s VAL 715 Ca 0.57 -1.34 0.01 0.00 -2.93 0.00 0.00 61.98 58.29 2aqx s VAL 715 Cb -0.13 -1.55 0.05 0.00 -1.53 0.00 0.00 36.38 33.22 2aqx s VAL 715 CO 0.51 -0.57 -0.09 -0.69 -3.33 0.00 0.00 175.10 170.93 2aqx s VAL 716 N -3.91 2.44 -0.04 2.04 1.01 -1.26 0.16 120.40 120.83 2aqx s VAL 716 Ca 0.10 -1.42 0.03 0.00 0.00 0.00 0.00 61.98 60.70 2aqx s VAL 716 Cb 0.05 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 34.08 2aqx s VAL 716 CO -0.07 0.05 -0.14 -0.75 0.00 0.00 0.00 175.10 174.19 2aqx s LYS 717 N 1.19 1.55 -1.61 2.72 2.36 -0.28 -4.87 119.74 120.80 2aqx s LYS 717 Ca -0.05 -0.48 -0.15 0.00 -2.55 0.00 0.00 55.97 52.74 2aqx s LYS 717 Cb -0.19 -1.35 0.12 0.00 -1.05 0.00 0.00 37.83 35.36 2aqx s LYS 717 CO -0.05 0.15 0.80 -3.47 1.55 0.00 0.00 175.35 174.33 2aqx n ASP 718 N 3.35 -3.32 0.00 1.43 2.03 -1.26 -1.21 116.55 117.58 2aqx n ASP 718 Ca -0.19 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.17 2aqx n ASP 718 Cb 0.53 -3.13 0.00 0.00 -0.72 0.00 0.00 41.12 37.80 2aqx n ASP 718 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2aqx n GLY 719 N -1.56 0.65 3.19 0.27 0.00 -1.26 -5.04 105.19 101.44 2aqx n GLY 719 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 2aqx n GLY 719 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aqx s GLU 720 N -0.18 0.91 -0.11 1.61 2.02 -0.35 -5.15 118.70 117.45 2aqx s GLU 720 Ca 0.00 -1.38 -0.14 0.00 0.02 0.00 0.00 54.97 53.46 2aqx s GLU 720 Cb 0.00 -0.26 -0.05 0.00 0.10 0.00 0.00 34.13 33.92 2aqx s GLU 720 CO 0.00 -0.03 0.35 0.50 0.02 0.00 0.00 175.26 176.10 2aqx s ARG 721 N -3.84 4.11 0.16 1.61 3.52 -1.26 -1.12 118.95 122.13 2aqx s ARG 721 Ca 0.15 0.23 0.06 0.00 -0.13 0.00 0.00 55.73 56.04 2aqx s ARG 721 Cb 0.05 -3.35 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 2aqx s ARG 721 CO -0.03 0.39 -0.13 0.71 -0.81 0.00 0.00 175.30 175.44 2aqx s TYR 722 N -0.05 1.48 -0.12 5.12 2.02 0.12 0.18 117.35 126.09 2aqx s TYR 722 Ca 0.20 -0.63 -0.13 0.00 -0.37 0.00 0.00 57.07 56.14 2aqx s TYR 722 Cb -0.14 -0.73 -0.05 0.00 -0.40 0.00 0.00 41.96 40.64 2aqx s TYR 722 CO 0.08 0.21 0.30 -0.80 -1.57 0.00 0.00 175.55 173.76 2aqx s ASN 723 N -3.05 6.50 -0.22 2.29 0.01 0.79 0.19 114.94 121.45 2aqx s ASN 723 Ca 0.17 0.59 -0.09 0.00 -0.71 0.00 0.00 52.86 52.82 2aqx s ASN 723 Cb -0.01 -2.18 -0.05 0.00 0.41 0.00 0.00 41.25 39.43 2aqx s ASN 723 CO 0.04 0.18 0.12 -1.58 -1.51 0.00 0.00 177.10 174.35 2aqx s GLN 724 N -0.02 4.02 0.28 -0.60 0.74 0.14 -1.38 119.66 122.84 2aqx s GLN 724 Ca 0.18 -0.30 0.04 0.00 0.05 0.00 0.00 55.36 55.32 2aqx s GLN 724 Cb -0.14 -3.41 -0.03 0.00 1.10 0.00 0.00 33.01 30.53 2aqx s GLN 724 CO 0.06 0.13 0.21 0.00 -0.55 0.00 0.00 175.29 175.14 2aqx s MET 725 N 0.82 1.52 0.54 1.67 0.23 -0.74 -0.19 119.30 123.14 2aqx s MET 725 Ca 0.06 -1.86 -0.18 0.00 -1.03 0.00 0.00 55.69 52.69 2aqx s MET 725 Cb -0.13 0.30 -0.06 0.00 -1.53 0.00 0.00 34.83 33.41 2aqx s MET 725 CO 0.02 -0.54 1.05 -0.51 -2.03 0.00 0.00 175.02 173.01 2aqx s ASP 726 N -3.28 6.07 -0.51 -1.18 1.11 -0.22 -1.18 116.67 117.48 2aqx s ASP 726 Ca 0.40 1.87 -0.22 0.00 0.18 0.00 0.00 52.55 54.78 2aqx s ASP 726 Cb 0.04 -2.55 0.04 0.00 1.07 0.00 0.00 42.92 41.53 2aqx s ASP 726 CO 0.21 -0.97 0.77 -0.62 1.18 0.00 0.00 175.17 175.75 2aqx s ASP 727 N -2.40 6.30 0.00 0.27 2.15 0.26 -4.70 116.67 118.55 2aqx s ASP 727 Ca 0.65 -0.53 0.11 0.00 0.43 0.00 0.00 52.55 53.21 2aqx s ASP 727 Cb -0.16 -2.36 0.49 0.00 -0.30 0.00 0.00 42.92 40.59 2aqx s ASP 727 CO 0.29 -1.02 1.30 0.18 -0.17 0.00 0.00 175.17 175.74 2aqx n LEU 728 N 6.77 0.00 0.20 -1.34 4.77 -1.26 -0.97 117.00 125.17 2aqx n LEU 728 Ca -0.02 0.41 0.13 0.00 -0.03 0.00 0.00 56.01 56.50 2aqx n LEU 728 Cb 0.47 -0.41 0.33 0.00 -2.33 0.00 0.00 43.42 41.48 2aqx n LEU 728 CO 0.58 -0.26 0.86 -0.07 -1.33 0.00 0.00 177.39 177.18 2aqx h LEU 729 N 0.00 0.00 -0.66 2.23 4.07 -1.96 -3.41 115.31 115.58 2aqx h LEU 729 Ca 0.00 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.10 2aqx h LEU 729 Cb 0.15 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.78 2aqx h LEU 729 CO 0.00 0.00 0.07 0.00 -1.08 0.00 0.00 178.44 177.43 2aqx h ALA 730 N 2.13 0.73 -0.44 1.53 0.00 -1.43 -2.02 119.26 119.76 2aqx h ALA 730 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2aqx h ALA 730 Cb 0.82 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2aqx h ALA 730 CO 0.00 -0.37 0.00 -0.25 0.00 0.00 0.00 179.25 178.63 2aqx n ASP 731 N -5.22 2.42 -4.93 0.00 8.00 -1.26 -4.88 116.55 110.68 2aqx n ASP 731 Ca 0.11 -1.99 -0.25 0.00 0.71 0.00 0.00 54.79 53.36 2aqx n ASP 731 Cb 0.39 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 2aqx n ASP 731 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2aqx s PHE 732 N -1.41 3.43 -0.24 1.24 0.08 -0.76 -5.10 117.98 115.23 2aqx s PHE 732 Ca 0.31 0.08 0.02 0.00 0.12 0.00 0.00 56.93 57.45 2aqx s PHE 732 Cb 0.16 -1.63 0.06 0.00 -0.57 0.00 0.00 43.02 41.04 2aqx s PHE 732 CO 0.21 0.51 -0.08 -0.51 -0.10 0.00 0.00 175.22 175.25 2aqx s ASP 733 N -3.31 3.98 -1.16 1.36 -0.00 -1.26 -4.70 116.67 111.58 2aqx s ASP 733 Ca 0.34 -1.20 -0.05 0.00 -0.00 0.00 0.00 52.55 51.63 2aqx s ASP 733 Cb -0.11 -1.32 -0.03 0.00 -0.00 0.00 0.00 42.92 41.47 2aqx s ASP 733 CO 0.28 -0.20 0.87 -0.24 -0.00 0.00 0.00 175.17 175.88 2aqx n SER 734 N 4.59 -4.06 -4.77 0.27 2.88 -1.26 -4.31 113.62 106.96 2aqx n SER 734 Ca -0.13 -0.76 -0.37 0.00 -1.33 0.00 0.00 58.87 56.28 2aqx n SER 734 Cb 0.44 -4.66 0.00 0.00 -0.75 0.00 0.00 64.21 59.24 2aqx n SER 734 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2aqx s PRO 735 N -5.23 3.58 0.23 -1.46 0.04 -1.26 -4.69 135.00 126.20 2aqx s PRO 735 Ca 0.24 1.79 -0.09 0.00 0.04 0.00 0.00 61.00 62.99 2aqx s PRO 735 Cb -0.05 -2.29 -0.07 0.00 0.04 0.00 0.00 34.50 32.13 2aqx s PRO 735 CO 0.77 -0.71 0.53 0.00 0.04 0.00 0.00 177.00 177.64 2aqx s VAL 737 N -1.82 0.01 -0.01 0.00 1.01 -0.73 -1.73 120.40 117.14 2aqx s VAL 737 Ca 0.47 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.38 2aqx s VAL 737 Cb -0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 2aqx s VAL 737 CO 0.22 -0.05 -0.10 -0.32 0.00 0.00 0.00 175.10 174.85 2aqx s MET 738 N -0.12 0.83 -0.16 2.72 1.75 -0.45 -0.85 119.30 123.02 2aqx s MET 738 Ca -0.02 -0.35 0.01 0.00 -1.25 0.00 0.00 55.69 54.08 2aqx s MET 738 Cb -0.02 -0.79 0.00 0.00 2.84 0.00 0.00 34.83 36.86 2aqx s MET 738 CO 0.00 0.20 -0.17 0.34 -0.65 0.00 0.00 175.02 174.74 2aqx s ASP 739 N -0.17 3.49 -0.20 1.11 -1.08 -0.39 -0.82 116.67 118.62 2aqx s ASP 739 Ca 0.03 -0.52 -0.01 0.00 -0.52 0.00 0.00 52.55 51.53 2aqx s ASP 739 Cb -0.04 -1.53 0.01 0.00 -1.46 0.00 0.00 42.92 39.89 2aqx s ASP 739 CO -0.00 0.07 -0.13 0.00 0.52 0.00 0.00 175.17 175.63 2aqx s LYS 741 N 1.37 4.43 0.08 0.00 2.20 0.28 -0.28 119.74 127.82 2aqx s LYS 741 Ca 0.05 1.51 -0.08 0.00 -0.36 0.00 0.00 55.97 57.09 2aqx s LYS 741 Cb -0.14 -3.51 -0.06 0.00 -1.51 0.00 0.00 37.83 32.62 2aqx s LYS 741 CO -0.09 -0.30 0.37 -1.64 -0.36 0.00 0.00 175.35 173.34 2aqx s MET 742 N 1.78 3.71 0.00 4.03 -1.94 0.32 -0.72 119.30 126.48 2aqx s MET 742 Ca 0.52 0.09 0.00 0.00 -1.71 0.00 0.00 55.69 54.59 2aqx s MET 742 Cb -0.22 -2.99 0.00 0.00 2.01 0.00 0.00 34.83 33.64 2aqx s MET 742 CO 0.22 0.56 0.00 0.41 -0.01 0.00 0.00 175.02 176.20 2aqx n GLY 743 N 0.82 3.06 0.13 -0.03 0.00 0.54 -4.39 105.19 105.31 2aqx n GLY 743 Ca -0.08 -1.96 0.10 0.00 0.00 0.00 0.00 46.02 44.08 2aqx n GLY 743 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2aqx n VAL 744 N -0.42 0.05 -3.60 1.61 0.24 0.72 -3.22 118.33 113.70 2aqx n VAL 744 Ca 0.00 -0.08 -0.15 0.00 -2.04 0.00 0.00 64.34 62.07 2aqx n VAL 744 Cb 0.00 -0.13 -0.07 0.00 -1.47 0.00 0.00 33.84 32.17 2aqx n VAL 744 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2aqx s ARG 745 N -1.95 0.91 -0.11 7.34 3.52 -1.26 -4.09 118.95 123.31 2aqx s ARG 745 Ca 0.29 0.73 0.15 0.00 -0.13 0.00 0.00 55.73 56.76 2aqx s ARG 745 Cb 0.14 0.44 0.28 0.00 -1.56 0.00 0.00 34.95 34.24 2aqx s ARG 745 CO 0.22 -0.18 1.17 0.25 -0.81 0.00 0.00 175.30 175.96 2aqx n THR 746 N 2.08 1.75 -4.17 4.11 -2.24 -1.26 -4.53 114.28 110.01 2aqx n THR 746 Ca -0.16 -1.90 -0.18 0.00 -2.27 0.00 0.00 64.05 59.54 2aqx n THR 746 Cb 0.56 -0.07 -0.12 0.00 -2.10 0.00 0.00 70.33 68.60 2aqx n THR 746 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2aqx s TYR 747 N -2.42 1.22 0.38 4.78 -0.85 -1.26 -4.52 117.35 114.67 2aqx s TYR 747 Ca 0.27 -0.47 -0.24 0.00 -0.52 0.00 0.00 57.07 56.12 2aqx s TYR 747 Cb 0.23 -0.69 -0.10 0.00 0.38 0.00 0.00 41.96 41.78 2aqx s TYR 747 CO 0.04 0.06 0.97 -0.51 -1.52 0.00 0.00 175.55 174.59 2aqx s LEU 748 N -1.77 4.16 0.28 -3.49 1.43 -1.26 -4.97 118.68 113.06 2aqx s LEU 748 Ca -0.02 1.84 0.01 0.00 -1.03 0.00 0.00 54.13 54.93 2aqx s LEU 748 Cb -0.10 -4.23 0.58 0.00 0.03 0.00 0.00 46.19 42.47 2aqx s LEU 748 CO 0.02 -0.27 1.80 -0.33 0.23 0.00 0.00 176.35 177.81 2aqx h GLU 749 N 2.59 0.81 0.00 1.70 5.08 -1.99 0.21 114.58 122.99 2aqx h GLU 749 Ca -0.48 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2aqx h GLU 749 Cb 1.19 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2aqx h GLU 749 CO 0.63 0.54 0.00 1.05 -1.00 0.00 0.00 179.01 180.23 2aqx h GLU 750 N 0.83 0.00 0.17 2.33 4.11 -1.99 -0.78 114.58 119.26 2aqx h GLU 750 Ca 0.50 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.63 2aqx h GLU 750 Cb 0.61 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.88 2aqx h GLU 750 CO -0.31 0.00 -1.32 0.93 0.07 0.00 0.00 179.01 178.38 2aqx h GLU 751 N 0.00 0.41 0.34 1.06 5.08 -0.96 -2.50 114.58 118.00 2aqx h GLU 751 Ca 0.00 -0.67 -0.02 0.00 -1.00 0.00 0.00 59.36 57.68 2aqx h GLU 751 Cb 0.14 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2aqx h GLU 751 CO 0.00 1.31 -0.16 1.25 -1.00 0.00 0.00 179.01 180.41 2aqx h LEU 752 N 0.12 -0.38 -0.99 1.33 5.85 -1.02 -1.91 115.31 118.30 2aqx h LEU 752 Ca -0.18 -0.16 0.12 0.00 0.84 0.00 0.00 57.88 58.50 2aqx h LEU 752 Cb 2.03 0.10 -0.14 0.00 0.37 0.00 0.00 40.66 43.02 2aqx h LEU 752 CO 0.23 -0.02 -0.48 0.74 -0.34 0.00 0.00 178.44 178.57 2aqx h THR 753 N -0.80 0.00 -0.39 1.05 2.02 -1.29 0.89 112.91 114.39 2aqx h THR 753 Ca -0.05 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 2aqx h THR 753 Cb 0.52 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2aqx h THR 753 CO 0.08 0.00 0.20 0.50 0.37 0.00 0.00 175.52 176.66 2aqx h LYS 754 N -0.01 0.55 0.00 6.66 3.11 -1.45 -0.84 116.57 124.60 2aqx h LYS 754 Ca 0.26 -0.08 -0.05 0.00 -2.81 0.00 0.00 60.65 57.97 2aqx h LYS 754 Cb 0.51 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.63 2aqx h LYS 754 CO -0.96 0.48 -0.23 0.00 -2.81 0.00 0.00 179.45 175.93 2aqx h ALA 755 N 1.05 1.02 0.00 5.00 0.00 -0.76 -2.29 119.26 123.27 2aqx h ALA 755 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2aqx h ALA 755 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2aqx h ALA 755 CO -0.02 0.28 0.00 0.54 0.00 0.00 0.00 179.25 180.05 2aqx n ARG 756 N -3.38 0.20 0.07 0.00 1.74 0.30 -3.70 116.66 111.89 2aqx n ARG 756 Ca 0.00 0.30 -0.04 0.00 -0.77 0.00 0.00 57.85 57.34 2aqx n ARG 756 Cb 0.43 -1.80 -0.07 0.00 -1.02 0.00 0.00 32.46 30.00 2aqx n ARG 756 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2aqx h LYS 757 N 0.00 0.00 -2.52 5.56 3.64 -0.60 -3.40 116.57 119.24 2aqx h LYS 757 Ca 0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 2aqx h LYS 757 Cb 0.53 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 31.96 2aqx h LYS 757 CO 0.00 0.74 -0.89 -1.59 -2.27 0.00 0.00 179.45 175.45 2aqx s LYS 758 N -2.79 0.67 -1.32 1.90 -2.85 -1.24 -5.08 119.74 109.03 2aqx s LYS 758 Ca 0.01 -1.58 -0.15 0.00 -1.00 0.00 0.00 55.97 53.25 2aqx s LYS 758 Cb 0.09 -1.36 0.10 0.00 -2.06 0.00 0.00 37.83 34.60 2aqx s LYS 758 CO 0.80 -1.26 1.82 -0.35 0.10 0.00 0.00 175.35 176.45 2aqx n PRO 759 N 3.66 3.21 -2.36 1.78 -0.04 -1.26 -4.95 135.00 135.05 2aqx n PRO 759 Ca 0.17 -3.26 -0.43 0.00 -0.04 0.00 0.00 63.50 59.94 2aqx n PRO 759 Cb 0.40 -3.27 -0.02 0.00 -0.04 0.00 0.00 33.50 30.57 2aqx n PRO 759 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2aqx s SER 760 N 3.20 6.89 0.15 3.54 0.01 -1.26 -4.97 113.70 121.26 2aqx s SER 760 Ca 0.48 1.76 -0.34 0.00 1.31 0.00 0.00 55.95 59.16 2aqx s SER 760 Cb 0.06 -2.54 -0.14 0.00 0.21 0.00 0.00 66.02 63.61 2aqx s SER 760 CO 0.01 -0.80 1.59 0.18 0.41 0.00 0.00 173.24 174.63 2aqx n LEU 761 N 6.74 3.11 -4.33 2.44 4.77 -1.26 -4.62 117.00 123.85 2aqx n LEU 761 Ca 0.14 1.08 -0.34 0.00 -0.03 0.00 0.00 56.01 56.86 2aqx n LEU 761 Cb 0.45 -1.43 -0.14 0.00 -2.33 0.00 0.00 43.42 39.97 2aqx n LEU 761 CO 0.57 -0.28 -0.41 -0.13 -1.33 0.00 0.00 177.39 175.81 2aqx s ARG 762 N 1.01 3.37 -0.04 3.23 1.81 0.20 -4.83 118.95 123.71 2aqx s ARG 762 Ca 0.79 -0.65 -0.09 0.00 -1.72 0.00 0.00 55.73 54.06 2aqx s ARG 762 Cb -0.68 -2.87 -0.05 0.00 -0.45 0.00 0.00 34.95 30.90 2aqx s ARG 762 CO 0.38 -0.05 0.44 1.57 -0.68 0.00 0.00 175.30 176.96 2aqx h LYS 763 N 7.61 -0.32 -0.88 3.54 -0.00 -1.84 -0.43 116.57 124.25 2aqx h LYS 763 Ca -0.37 0.02 0.11 0.00 -0.00 0.00 0.00 60.65 60.41 2aqx h LYS 763 Cb 1.18 0.07 -0.07 0.00 -0.00 0.00 0.00 32.23 33.41 2aqx h LYS 763 CO 0.60 -0.21 0.57 0.38 -0.00 0.00 0.00 179.45 180.78 2aqx h ASP 764 N -0.87 0.74 -0.28 7.07 3.04 -1.96 0.15 116.42 124.31 2aqx h ASP 764 Ca -0.03 0.03 -0.03 0.00 -3.24 0.00 0.00 57.03 53.75 2aqx h ASP 764 Cb 0.25 -0.13 -0.02 0.00 -1.04 0.00 0.00 39.33 38.40 2aqx h ASP 764 CO 0.06 0.42 0.08 0.24 -2.04 0.00 0.00 179.24 178.00 2aqx h MET 765 N 0.81 0.53 -0.14 4.15 2.86 -1.93 0.19 114.93 121.41 2aqx h MET 765 Ca 0.42 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.94 2aqx h MET 765 Cb 0.50 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 2aqx h MET 765 CO -0.18 0.49 -0.05 -0.92 1.06 0.00 0.00 176.91 177.31 2aqx h TYR 766 N 0.52 0.32 -0.94 -0.22 3.20 -0.67 -2.72 116.97 116.45 2aqx h TYR 766 Ca 0.12 -0.08 0.08 0.00 3.14 0.00 0.00 58.73 62.00 2aqx h TYR 766 Cb 0.21 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.33 2aqx h TYR 766 CO 0.01 0.59 0.59 1.96 -1.64 0.00 0.00 178.16 179.67 2aqx h GLN 767 N -0.05 0.99 -0.05 1.82 1.08 -0.38 -0.90 115.11 117.63 2aqx h GLN 767 Ca 0.03 -0.06 -0.14 0.00 -1.45 0.00 0.00 58.65 57.03 2aqx h GLN 767 Cb 0.50 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2aqx h GLN 767 CO 0.02 0.66 -0.62 0.87 -0.95 0.00 0.00 178.83 178.81 2aqx h LYS 768 N 1.02 0.17 -0.02 1.46 1.57 -0.71 -1.98 116.57 118.08 2aqx h LYS 768 Ca 0.42 -0.12 -0.17 0.00 -1.87 0.00 0.00 60.65 58.92 2aqx h LYS 768 Cb 0.27 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.61 2aqx h LYS 768 CO -0.20 0.73 -0.65 1.98 -0.57 0.00 0.00 179.45 180.74 2aqx h MET 769 N 0.12 0.48 -0.45 3.15 4.05 -1.06 -2.82 114.93 118.40 2aqx h MET 769 Ca -0.01 -0.48 -0.08 0.00 -0.28 0.00 0.00 59.70 58.85 2aqx h MET 769 Cb 1.12 0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 32.03 2aqx h MET 769 CO 0.09 1.13 -0.05 -0.39 0.23 0.00 0.00 176.91 177.92 2aqx h VAL 770 N 0.01 1.25 -0.94 -5.77 -1.51 -1.23 -0.83 116.25 107.22 2aqx h VAL 770 Ca -0.08 -1.06 0.15 0.00 -1.23 0.00 0.00 66.70 64.49 2aqx h VAL 770 Cb 1.34 0.96 -0.08 0.00 -2.13 0.00 0.00 31.29 31.37 2aqx h VAL 770 CO 0.13 0.37 0.60 -0.08 -1.23 0.00 0.00 177.57 177.35 2aqx h GLU 771 N 0.70 0.74 0.00 5.19 4.81 -1.27 -1.84 114.58 122.90 2aqx h GLU 771 Ca 0.13 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 2aqx h GLU 771 Cb 0.50 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2aqx h GLU 771 CO 0.03 0.49 -1.62 0.28 -0.73 0.00 0.00 179.01 177.45 2aqx n VAL 772 N -4.61 0.67 -3.15 0.32 0.31 -1.07 -4.79 118.33 106.00 2aqx n VAL 772 Ca 0.19 -0.61 0.04 0.00 -0.01 0.00 0.00 64.34 63.95 2aqx n VAL 772 Cb 0.48 -0.35 -0.00 0.00 -0.91 0.00 0.00 33.84 33.06 2aqx n VAL 772 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2aqx s ASP 773 N -5.21 -1.22 0.60 4.52 -1.08 -0.34 -5.04 116.67 108.90 2aqx s ASP 773 Ca -0.05 0.23 0.35 0.00 -0.52 0.00 0.00 52.55 52.56 2aqx s ASP 773 Cb 0.10 1.81 1.91 0.00 -1.46 0.00 0.00 42.92 45.28 2aqx s ASP 773 CO 0.84 -0.22 2.22 -0.65 0.52 0.00 0.00 175.17 177.88 2aqx h PRO 774 N 7.80 0.00 -0.01 4.34 0.11 -1.57 -1.57 132.00 141.10 2aqx h PRO 774 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2aqx h PRO 774 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2aqx h PRO 774 CO 0.08 0.03 -0.27 0.39 -0.21 0.00 0.00 178.00 178.03 2aqx n GLU 775 N -3.43 0.71 -0.02 1.05 1.02 -1.26 -4.39 120.64 114.33 2aqx n GLU 775 Ca -0.02 -0.40 -0.09 0.00 -0.02 0.00 0.00 57.16 56.63 2aqx n GLU 775 Cb 0.14 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.03 2aqx n GLU 775 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2aqx h ALA 776 N 3.58 0.08 -2.89 0.62 0.00 -1.59 -3.44 119.26 115.62 2aqx h ALA 776 Ca 0.00 0.06 -0.53 0.00 0.00 0.00 0.00 54.91 54.43 2aqx h ALA 776 Cb 0.49 0.13 0.11 0.00 0.00 0.00 0.00 17.79 18.52 2aqx h ALA 776 CO 0.00 -0.49 0.52 -2.14 0.00 0.00 0.00 179.25 177.14 2aqx s PRO 777 N -6.20 3.17 1.04 0.00 0.02 -1.26 -5.02 135.00 126.76 2aqx s PRO 777 Ca -0.13 1.97 -0.18 0.00 0.02 0.00 0.00 61.00 62.68 2aqx s PRO 777 Cb 0.09 -2.14 0.26 0.00 0.02 0.00 0.00 34.50 32.73 2aqx s PRO 777 CO 0.68 -1.09 0.97 0.25 -0.33 0.00 0.00 177.00 177.48 2aqx n THR 778 N -1.18 0.00 -0.03 0.99 -2.24 -1.26 -4.78 114.28 105.78 2aqx n THR 778 Ca 0.11 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 2aqx n THR 778 Cb 0.48 -1.24 -0.10 0.00 -2.10 0.00 0.00 70.33 67.36 2aqx n THR 778 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2aqx h GLU 779 N 0.00 0.04 -0.56 -0.78 4.57 -1.98 -1.39 114.58 114.48 2aqx h GLU 779 Ca -0.36 -0.03 0.10 0.00 -1.18 0.00 0.00 59.36 57.89 2aqx h GLU 779 Cb 1.08 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.59 2aqx h GLU 779 CO 0.24 0.63 0.12 0.93 -1.18 0.00 0.00 179.01 179.74 2aqx h GLU 780 N -0.54 0.24 -0.30 1.92 3.07 -1.99 -0.65 114.58 116.34 2aqx h GLU 780 Ca -0.00 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.80 2aqx h GLU 780 Cb 0.63 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 2aqx h GLU 780 CO 0.01 0.16 0.00 0.93 -1.40 0.00 0.00 179.01 178.71 2aqx h GLU 781 N 0.25 0.45 -0.24 2.33 5.08 -1.85 -1.12 114.58 119.48 2aqx h GLU 781 Ca 0.29 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2aqx h GLU 781 Cb 0.42 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2aqx h GLU 781 CO -0.38 0.48 0.06 -0.22 -1.00 0.00 0.00 179.01 177.95 2aqx h LYS 782 N 0.44 0.39 0.00 2.33 3.64 -0.27 -1.73 116.57 121.36 2aqx h LYS 782 Ca 0.10 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2aqx h LYS 782 Cb 0.28 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2aqx h LYS 782 CO 0.01 0.50 -0.02 0.00 -2.27 0.00 0.00 179.45 177.66 2aqx h ALA 783 N 0.88 1.19 0.00 5.00 0.00 0.03 -2.53 119.26 123.82 2aqx h ALA 783 Ca 0.08 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2aqx h ALA 783 Cb 0.28 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2aqx h ALA 783 CO 0.00 0.03 -1.55 1.04 0.00 0.00 0.00 179.25 178.77 2aqx n GLN 784 N -3.38 0.63 -3.28 0.00 6.02 -0.66 -4.98 117.38 111.74 2aqx n GLN 784 Ca -0.02 0.08 -0.23 0.00 -0.01 0.00 0.00 57.00 56.81 2aqx n GLN 784 Cb 0.12 -1.72 0.01 0.00 1.02 0.00 0.00 30.24 29.67 2aqx n GLN 784 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2aqx n ARG 785 N -2.68 -3.76 -3.85 -1.09 1.74 -0.67 -4.92 116.66 101.44 2aqx n ARG 785 Ca -0.08 0.58 -0.07 0.00 -0.77 0.00 0.00 57.85 57.50 2aqx n ARG 785 Cb 0.74 -5.32 -0.01 0.00 -1.02 0.00 0.00 32.46 26.84 2aqx n ARG 785 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2aqx s ALA 786 N -2.99 -1.17 0.12 7.54 0.00 -1.23 -4.71 121.76 119.32 2aqx s ALA 786 Ca 0.37 -0.36 -0.25 0.00 0.00 0.00 0.00 51.96 51.73 2aqx s ALA 786 Cb -0.19 0.82 0.07 0.00 0.00 0.00 0.00 23.12 23.82 2aqx s ALA 786 CO 0.46 -1.03 0.76 0.54 0.00 0.00 0.00 175.76 176.49 2aqx s VAL 787 N -3.68 0.00 0.21 0.00 0.11 -0.18 -4.77 120.40 112.10 2aqx s VAL 787 Ca 0.12 -0.23 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 2aqx s VAL 787 Cb -0.06 -1.28 -0.04 0.00 -1.53 0.00 0.00 36.38 33.48 2aqx s VAL 787 CO 0.07 0.00 0.38 0.28 -3.33 0.00 0.00 175.10 172.50 2aqx s THR 788 N -3.50 5.23 -0.13 5.04 -1.32 -1.26 0.61 115.64 120.31 2aqx s THR 788 Ca 0.05 -0.57 -0.22 0.00 -1.21 0.00 0.00 61.69 59.74 2aqx s THR 788 Cb -0.02 -3.77 -0.20 0.00 -1.51 0.00 0.00 72.50 67.00 2aqx s THR 788 CO -0.07 -0.23 0.58 0.50 -2.21 0.00 0.00 174.62 173.19 2aqx h LYS 789 N 1.73 0.00 0.00 7.08 3.64 -1.90 0.92 116.57 128.05 2aqx h LYS 789 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2aqx h LYS 789 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2aqx h LYS 789 CO 0.66 0.78 0.00 -2.30 -2.27 0.00 0.00 179.45 176.32 2aqx n PRO 790 N -4.64 0.00 0.06 1.90 -0.02 -1.26 0.11 135.00 131.15 2aqx n PRO 790 Ca -0.09 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.50 2aqx n PRO 790 Cb 0.38 0.00 0.57 0.00 -0.02 0.00 0.00 33.50 34.43 2aqx n PRO 790 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2aqx h ARG 791 N 0.00 0.21 0.29 -0.52 9.65 -1.91 -2.33 114.38 119.78 2aqx h ARG 791 Ca 0.00 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 2aqx h ARG 791 Cb 0.00 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 2aqx h ARG 791 CO 0.00 0.14 -0.14 -0.92 2.80 0.00 0.00 179.97 181.85 2aqx h TYR 792 N 0.22 -0.37 -0.92 2.20 3.20 -0.66 0.29 116.97 120.93 2aqx h TYR 792 Ca 0.16 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.23 2aqx h TYR 792 Cb 0.35 0.12 -0.17 0.00 1.54 0.00 0.00 36.73 38.57 2aqx h TYR 792 CO -0.00 -0.02 -0.12 0.52 -1.64 0.00 0.00 178.16 176.90 2aqx h MET 793 N -0.79 0.02 -0.06 1.82 2.86 0.14 0.22 114.93 119.14 2aqx h MET 793 Ca -0.04 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2aqx h MET 793 Cb 0.51 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 2aqx h MET 793 CO 0.07 0.01 0.01 1.96 1.06 0.00 0.00 176.91 180.01 2aqx h GLN 794 N 0.02 0.09 -0.72 1.72 4.20 -1.31 -3.24 115.11 115.87 2aqx h GLN 794 Ca 0.49 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 59.23 2aqx h GLN 794 Cb 0.86 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.57 2aqx h GLN 794 CO -0.91 0.33 0.42 2.35 -0.67 0.00 0.00 178.83 180.36 2aqx h TRP 795 N -0.16 0.78 -0.99 2.96 7.01 0.10 -2.94 115.95 122.71 2aqx h TRP 795 Ca 0.02 0.03 0.15 0.00 2.11 0.00 0.00 58.89 61.19 2aqx h TRP 795 Cb 0.29 -0.24 -0.09 0.00 -2.10 0.00 0.00 29.16 27.01 2aqx h TRP 795 CO 0.02 0.39 0.60 -0.09 -2.79 0.00 0.00 178.44 176.57 2aqx h ARG 796 N 0.78 0.84 -0.01 2.65 2.43 -0.66 0.32 114.38 120.73 2aqx h ARG 796 Ca 0.31 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2aqx h ARG 796 Cb 0.16 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2aqx h ARG 796 CO -0.17 0.56 0.10 0.93 -1.51 0.00 0.00 179.97 179.88 2aqx h GLU 797 N 0.87 0.00 0.00 0.20 3.07 -1.58 -2.94 114.58 114.20 2aqx h GLU 797 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 2aqx h GLU 797 Cb 0.66 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 2aqx h GLU 797 CO -0.32 0.00 -0.71 -2.37 -1.40 0.00 0.00 179.01 174.21 2aqx n THR 798 N -3.08 0.13 0.22 1.13 5.66 0.11 -2.69 114.28 115.75 2aqx n THR 798 Ca -0.03 -0.13 0.11 0.00 -3.05 0.00 0.00 64.05 60.96 2aqx n THR 798 Cb 0.17 0.21 0.19 0.00 -1.55 0.00 0.00 70.33 69.34 2aqx n THR 798 CO 0.00 0.00 0.00 0.16 -3.05 0.00 0.00 175.07 172.18 2aqx h ILE 799 N 0.00 0.10 -3.86 1.09 3.07 -1.61 -3.46 117.51 112.84 2aqx h ILE 799 Ca 0.00 -1.10 0.00 0.00 1.55 0.00 0.00 64.86 65.31 2aqx h ILE 799 Cb 0.62 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 39.18 2aqx h ILE 799 CO 0.00 0.06 0.00 -1.54 -1.05 0.00 0.00 178.15 175.62 2aqx n SER 800 N -3.12 1.95 0.00 2.16 3.41 -1.24 -4.42 113.62 112.36 2aqx n SER 800 Ca 0.04 -0.86 0.09 0.00 -0.26 0.00 0.00 58.87 57.88 2aqx n SER 800 Cb 0.54 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.95 2aqx n SER 800 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2aqx n SER 801 N -0.90 0.00 -0.11 4.04 3.41 -0.85 -4.16 113.62 115.05 2aqx n SER 801 Ca 0.00 0.19 -0.12 0.00 -0.26 0.00 0.00 58.87 58.68 2aqx n SER 801 Cb 0.00 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 63.51 2aqx n SER 801 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2aqx h THR 802 N 0.00 0.06 -0.36 6.66 2.02 -1.65 0.45 112.91 120.09 2aqx h THR 802 Ca 0.00 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.02 2aqx h THR 802 Cb 0.24 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 2aqx h THR 802 CO 0.00 0.00 -0.42 0.00 0.37 0.00 0.00 175.52 175.47 2aqx h ALA 803 N 0.14 0.58 0.24 6.16 0.00 -1.66 0.11 119.26 124.83 2aqx h ALA 803 Ca 0.10 -0.47 -0.34 0.00 0.00 0.00 0.00 54.91 54.21 2aqx h ALA 803 Cb 0.61 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.32 2aqx h ALA 803 CO -0.55 0.68 -1.53 1.79 0.00 0.00 0.00 179.25 179.63 2aqx h THR 804 N 0.73 1.20 0.00 0.00 1.35 -1.77 -3.39 112.91 111.03 2aqx h THR 804 Ca 0.05 -2.64 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 2aqx h THR 804 Cb 1.01 2.98 0.00 0.00 -1.73 0.00 0.00 68.15 70.41 2aqx h THR 804 CO 0.10 0.82 -1.44 0.18 -0.25 0.00 0.00 175.52 174.93 2aqx n LEU 805 N -3.71 0.22 0.00 3.87 4.77 0.16 -5.01 117.00 117.30 2aqx n LEU 805 Ca -0.19 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2aqx n LEU 805 Cb 1.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.18 2aqx n LEU 805 CO 0.58 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2aqx n GLY 806 N 1.52 0.42 3.42 -0.72 0.00 0.40 -3.58 105.19 106.65 2aqx n GLY 806 Ca -0.01 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 2aqx n GLY 806 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2aqx s PHE 807 N -2.00 -0.52 0.04 1.61 -0.12 -1.20 -0.34 117.98 115.45 2aqx s PHE 807 Ca 0.00 0.31 -0.07 0.00 -0.05 0.00 0.00 56.93 57.12 2aqx s PHE 807 Cb 0.00 0.55 -0.01 0.00 -0.63 0.00 0.00 43.02 42.93 2aqx s PHE 807 CO 0.00 -0.85 0.13 -0.98 -0.05 0.00 0.00 175.22 173.48 2aqx s ARG 808 N -3.75 0.62 -0.27 1.99 1.70 0.11 -2.62 118.95 116.73 2aqx s ARG 808 Ca 0.01 -0.69 -0.28 0.00 -0.47 0.00 0.00 55.73 54.30 2aqx s ARG 808 Cb -0.01 0.25 0.01 0.00 -0.57 0.00 0.00 34.95 34.63 2aqx s ARG 808 CO -0.13 -0.16 1.00 0.42 -1.08 0.00 0.00 175.30 175.35 2aqx s ILE 809 N -2.54 4.66 -0.05 4.99 1.01 -1.26 -0.56 121.20 127.45 2aqx s ILE 809 Ca -0.05 1.80 -0.17 0.00 0.00 0.00 0.00 60.65 62.22 2aqx s ILE 809 Cb -0.01 -4.30 -0.31 0.00 0.01 0.00 0.00 42.46 37.84 2aqx s ILE 809 CO -0.04 -0.27 0.77 -0.33 0.00 0.00 0.00 174.94 175.07 2aqx h GLU 810 N 7.74 0.36 -1.67 2.79 4.39 -0.04 -3.42 114.58 124.73 2aqx h GLU 810 Ca -0.20 -0.61 0.11 0.00 0.34 0.00 0.00 59.36 58.99 2aqx h GLU 810 Cb 1.07 0.23 -0.21 0.00 -0.10 0.00 0.00 28.75 29.73 2aqx h GLU 810 CO 0.97 1.29 0.58 0.20 -1.16 0.00 0.00 179.01 180.89 2aqx s GLY 811 N -4.77 -0.29 -0.05 -3.84 0.00 -1.16 -4.67 107.32 92.54 2aqx s GLY 811 Ca -0.15 1.84 -0.01 0.00 0.00 0.00 0.00 44.72 46.40 2aqx s GLY 811 CO 0.84 0.86 0.00 -0.42 0.00 0.00 0.00 173.10 174.39 2aqx s ILE 812 N -1.60 0.26 -0.21 0.90 1.01 0.22 -1.26 121.20 120.53 2aqx s ILE 812 Ca 0.01 0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.73 2aqx s ILE 812 Cb -0.01 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 2aqx s ILE 812 CO -0.01 0.21 0.01 -0.75 0.00 0.00 0.00 174.94 174.40 2aqx s LYS 813 N 1.56 3.63 0.52 2.79 2.47 -0.03 -0.50 119.74 130.17 2aqx s LYS 813 Ca -0.02 -0.51 0.05 0.00 -1.56 0.00 0.00 55.97 53.93 2aqx s LYS 813 Cb -0.13 -3.13 0.02 0.00 -1.46 0.00 0.00 37.83 33.13 2aqx s LYS 813 CO -0.03 -0.03 0.32 0.15 0.16 0.00 0.00 175.35 175.93 2aqx s LYS 814 N 1.12 2.26 0.14 4.03 1.02 -0.53 -1.76 119.74 126.01 2aqx s LYS 814 Ca 0.03 -2.01 -0.18 0.00 0.02 0.00 0.00 55.97 53.82 2aqx s LYS 814 Cb -0.14 -2.03 0.02 0.00 -0.52 0.00 0.00 37.83 35.15 2aqx s LYS 814 CO 0.02 -0.50 1.71 0.93 -0.92 0.00 0.00 175.35 176.59 2aqx h GLU 815 N 0.92 0.08 0.00 1.68 4.39 -1.89 -0.82 114.58 118.95 2aqx h GLU 815 Ca -0.39 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 2aqx h GLU 815 Cb 1.30 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2aqx h GLU 815 CO 0.61 0.05 0.02 -0.40 -1.16 0.00 0.00 179.01 178.13 2aqx n ASP 816 N -5.15 0.42 0.00 1.42 5.75 -1.26 -4.82 116.55 112.91 2aqx n ASP 816 Ca -0.01 0.69 0.00 0.00 -0.01 0.00 0.00 54.79 55.46 2aqx n ASP 816 Cb 0.14 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 2aqx n ASP 816 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2aqx n GLY 817 N -1.34 0.85 3.87 6.12 0.00 -0.31 -5.08 105.19 109.29 2aqx n GLY 817 Ca -0.01 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2aqx n GLY 817 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aqx s SER 818 N -2.10 6.58 -0.13 1.61 1.04 -1.26 -4.87 113.70 114.57 2aqx s SER 818 Ca 0.00 0.70 -0.04 0.00 0.48 0.00 0.00 55.95 57.09 2aqx s SER 818 Cb 0.00 -2.14 -0.03 0.00 0.10 0.00 0.00 66.02 63.95 2aqx s SER 818 CO 0.00 0.22 -0.00 -0.69 0.98 0.00 0.00 173.24 173.74 2aqx s VAL 819 N -1.33 4.22 -0.13 5.02 1.01 -1.26 -1.46 120.40 126.47 2aqx s VAL 819 Ca 0.30 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 2aqx s VAL 819 Cb -0.14 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2aqx s VAL 819 CO 0.17 0.53 -0.06 0.20 0.00 0.00 0.00 175.10 175.94 2aqx s ASN 820 N -0.16 4.66 0.00 3.32 0.01 0.35 -4.98 114.94 118.14 2aqx s ASN 820 Ca 0.04 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 2aqx s ASN 820 Cb -0.13 -1.58 0.00 0.00 0.41 0.00 0.00 41.25 39.95 2aqx s ASN 820 CO 0.02 0.23 0.18 0.54 -1.51 0.00 0.00 177.10 176.56 2aqx n ARG 821 N 3.12 0.98 -3.03 -0.60 1.74 -1.26 -0.61 116.66 117.01 2aqx n ARG 821 Ca -0.18 -0.18 -0.44 0.00 -0.77 0.00 0.00 57.85 56.28 2aqx n ARG 821 Cb 0.53 -0.60 -0.01 0.00 -1.02 0.00 0.00 32.46 31.36 2aqx n ARG 821 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2aqx s ASP 822 N -0.19 6.90 -0.14 0.55 2.15 -1.26 -4.67 116.67 120.02 2aqx s ASP 822 Ca 0.00 -2.68 0.15 0.00 0.43 0.00 0.00 52.55 50.45 2aqx s ASP 822 Cb 0.00 -2.36 0.35 0.00 -0.30 0.00 0.00 42.92 40.61 2aqx s ASP 822 CO 0.00 -0.79 1.17 0.49 -0.17 0.00 0.00 175.17 175.87 2aqx n PHE 823 N 5.44 0.00 -0.00 -5.34 3.72 -1.26 -4.81 117.46 115.21 2aqx n PHE 823 Ca 0.28 -1.07 0.00 0.00 -0.05 0.00 0.00 57.45 56.61 2aqx n PHE 823 Cb 0.45 -0.19 0.31 0.00 -0.94 0.00 0.00 39.48 39.11 2aqx n PHE 823 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2aqx h LYS 824 N 0.64 0.53 -0.49 -1.08 1.57 -1.89 -1.79 116.57 114.04 2aqx h LYS 824 Ca -0.04 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2aqx h LYS 824 Cb 1.18 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2aqx h LYS 824 CO 0.02 0.54 0.00 1.63 -0.57 0.00 0.00 179.45 181.06 2aqx n LYS 825 N -4.29 3.64 -2.62 3.15 5.02 -1.26 -3.60 118.16 118.20 2aqx n LYS 825 Ca 0.02 -2.82 -0.42 0.00 -2.02 0.00 0.00 58.31 53.06 2aqx n LYS 825 Cb 0.23 -1.87 -0.03 0.00 -0.02 0.00 0.00 35.03 33.34 2aqx n LYS 825 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2aqx s THR 826 N -2.17 4.10 0.00 -0.18 2.01 -0.68 -4.80 115.64 113.93 2aqx s THR 826 Ca 0.46 0.86 0.00 0.00 0.31 0.00 0.00 61.69 63.32 2aqx s THR 826 Cb 0.32 -4.68 0.00 0.00 0.01 0.00 0.00 72.50 68.15 2aqx s THR 826 CO 0.18 -1.26 0.00 1.17 -0.69 0.00 0.00 174.62 174.01 2aqx n LYS 827 N 8.22 0.00 -2.68 4.92 4.81 -1.26 -2.01 118.16 130.15 2aqx n LYS 827 Ca 0.08 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.23 2aqx n LYS 827 Cb 0.49 -0.73 -0.02 0.00 0.02 0.00 0.00 35.03 34.79 2aqx n LYS 827 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2aqx s THR 828 N -1.69 4.82 0.41 3.15 -4.23 -1.26 -4.03 115.64 112.81 2aqx s THR 828 Ca 0.00 0.48 0.21 0.00 -1.18 0.00 0.00 61.69 61.20 2aqx s THR 828 Cb 0.00 -3.80 0.41 0.00 1.34 0.00 0.00 72.50 70.46 2aqx s THR 828 CO 0.00 -0.71 1.76 0.03 -0.54 0.00 0.00 174.62 175.17 2aqx h ARG 829 N 0.71 0.32 -0.20 3.99 3.08 -1.99 -2.14 114.38 118.17 2aqx h ARG 829 Ca -0.47 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.46 2aqx h ARG 829 Cb 1.19 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 2aqx h ARG 829 CO 0.63 0.21 -0.28 0.93 -1.07 0.00 0.00 179.97 180.39 2aqx h GLU 830 N 0.33 0.54 -0.36 0.04 3.07 -1.99 -0.04 114.58 116.18 2aqx h GLU 830 Ca 0.61 -0.32 -0.08 0.00 -0.50 0.00 0.00 59.36 59.07 2aqx h GLU 830 Cb 1.65 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.57 2aqx h GLU 830 CO -0.28 0.91 -0.10 1.96 -1.40 0.00 0.00 179.01 180.10 2aqx h GLN 831 N 0.21 0.62 0.19 2.33 4.20 -1.91 -1.57 115.11 119.19 2aqx h GLN 831 Ca 0.02 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 2aqx h GLN 831 Cb 0.85 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.57 2aqx h GLN 831 CO 0.07 0.72 -0.09 0.28 -0.67 0.00 0.00 178.83 179.13 2aqx h VAL 832 N 0.57 0.63 -0.86 -0.54 2.07 -1.20 -2.00 116.25 114.92 2aqx h VAL 832 Ca 0.10 -1.06 0.22 0.00 0.82 0.00 0.00 66.70 66.79 2aqx h VAL 832 Cb 0.51 1.08 -0.15 0.00 -1.52 0.00 0.00 31.29 31.22 2aqx h VAL 832 CO 0.03 0.17 0.11 0.74 0.02 0.00 0.00 177.57 178.64 2aqx h THR 833 N -0.94 0.26 -0.66 2.57 2.02 -1.06 0.13 112.91 115.22 2aqx h THR 833 Ca -0.03 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 67.15 2aqx h THR 833 Cb 0.48 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 2aqx h THR 833 CO 0.04 0.02 0.39 -0.08 0.37 0.00 0.00 175.52 176.27 2aqx h GLU 834 N 0.13 0.73 -0.41 6.66 4.57 -1.23 0.48 114.58 125.51 2aqx h GLU 834 Ca 0.51 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.57 2aqx h GLU 834 Cb 1.00 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 2aqx h GLU 834 CO -0.72 0.48 -0.07 0.00 -1.18 0.00 0.00 179.01 177.53 2aqx h ALA 835 N 1.31 0.55 -0.60 2.92 0.00 -0.38 -2.36 119.26 120.71 2aqx h ALA 835 Ca 0.28 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2aqx h ALA 835 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2aqx h ALA 835 CO -0.14 0.40 0.12 0.74 0.00 0.00 0.00 179.25 180.37 2aqx h PHE 836 N 0.58 1.04 -0.77 0.00 -1.00 -0.45 -0.46 116.94 115.88 2aqx h PHE 836 Ca 0.11 -0.14 -0.03 0.00 2.81 0.00 0.00 57.97 60.72 2aqx h PHE 836 Cb 0.58 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.82 2aqx h PHE 836 CO 0.05 0.89 0.36 -0.09 -1.61 0.00 0.00 178.31 177.90 2aqx h ARG 837 N 0.89 1.12 -0.04 1.51 2.43 -0.04 -2.54 114.38 117.71 2aqx h ARG 837 Ca 0.19 -0.18 -0.22 0.00 -0.81 0.00 0.00 59.98 58.96 2aqx h ARG 837 Cb 0.40 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2aqx h ARG 837 CO 0.01 0.88 -0.89 1.49 -1.51 0.00 0.00 179.97 179.95 2aqx h GLU 838 N 1.10 0.54 -0.48 0.20 4.81 -1.23 -1.85 114.58 117.67 2aqx h GLU 838 Ca 0.26 -0.52 0.06 0.00 -0.13 0.00 0.00 59.36 59.04 2aqx h GLU 838 Cb 0.14 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2aqx h GLU 838 CO -0.03 1.15 0.32 0.35 -0.73 0.00 0.00 179.01 180.07 2aqx h PHE 839 N 0.33 0.38 -0.00 0.92 3.57 -0.95 -2.95 116.94 118.25 2aqx h PHE 839 Ca -0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2aqx h PHE 839 Cb 1.51 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.13 2aqx h PHE 839 CO 0.07 0.21 -0.43 -2.37 -2.23 0.00 0.00 178.31 173.56 2aqx n THR 840 N -4.47 0.00 -2.46 4.41 5.66 -0.97 -4.86 114.28 111.58 2aqx n THR 840 Ca 0.06 -0.29 -0.16 0.00 -3.05 0.00 0.00 64.05 60.62 2aqx n THR 840 Cb 0.27 1.04 -0.01 0.00 -1.55 0.00 0.00 70.33 70.08 2aqx n THR 840 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2aqx n LYS 841 N -0.96 -2.12 -1.13 1.09 5.02 -0.75 -0.75 118.16 118.56 2aqx n LYS 841 Ca 0.03 0.75 -0.05 0.00 -2.02 0.00 0.00 58.31 57.02 2aqx n LYS 841 Cb 0.19 -5.39 -0.02 0.00 -0.02 0.00 0.00 35.03 29.79 2aqx n LYS 841 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aqx n GLY 842 N -0.91 0.51 3.56 0.72 0.00 -0.87 -4.91 105.19 103.30 2aqx n GLY 842 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2aqx n GLY 842 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2aqx n ASN 843 N -0.98 2.72 -0.28 1.61 2.85 0.07 -4.84 115.26 116.41 2aqx n ASN 843 Ca -0.05 -0.07 -0.05 0.00 -0.11 0.00 0.00 54.58 54.30 2aqx n ASN 843 Cb 0.53 -1.53 0.06 0.00 1.24 0.00 0.00 39.78 40.09 2aqx n ASN 843 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2aqx h GLN 844 N 16.60 1.01 -0.73 1.20 5.75 -1.91 0.44 115.11 137.47 2aqx h GLN 844 Ca -0.32 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.12 2aqx h GLN 844 Cb 1.26 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 29.55 2aqx h GLN 844 CO 1.05 0.69 0.48 -0.91 -2.65 0.00 0.00 178.83 177.49 2aqx h ASN 845 N 1.03 0.81 -0.25 -0.69 2.35 -1.98 0.32 115.58 117.18 2aqx h ASN 845 Ca 0.28 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.98 2aqx h ASN 845 Cb -0.09 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 2aqx h ASN 845 CO -0.06 0.58 0.04 0.40 -1.65 0.00 0.00 177.43 176.74 2aqx h ILE 846 N 0.96 1.23 0.10 2.81 2.04 -1.62 -0.50 117.51 122.52 2aqx h ILE 846 Ca 0.28 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 65.39 2aqx h ILE 846 Cb -0.06 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 2aqx h ILE 846 CO -0.08 0.24 -0.35 -0.07 0.00 0.00 0.00 178.15 177.89 2aqx h LEU 847 N 0.22 -1.06 -0.56 1.44 -0.00 -0.47 0.12 115.31 115.00 2aqx h LEU 847 Ca 0.08 0.11 0.11 0.00 -0.00 0.00 0.00 57.88 58.17 2aqx h LEU 847 Cb 0.32 0.39 -0.09 0.00 -0.00 0.00 0.00 40.66 41.28 2aqx h LEU 847 CO 0.00 -0.38 0.06 0.40 -0.00 0.00 0.00 178.44 178.52 2aqx h ILE 848 N -0.52 0.61 -0.29 1.22 2.04 -0.93 0.48 117.51 120.13 2aqx h ILE 848 Ca -0.01 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 65.86 2aqx h ILE 848 Cb 0.51 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 2aqx h ILE 848 CO -0.18 0.03 -0.20 0.00 0.00 0.00 0.00 178.15 177.80 2aqx h ALA 849 N 1.48 -0.01 -0.44 1.87 0.00 -0.88 0.42 119.26 121.70 2aqx h ALA 849 Ca 0.29 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.31 2aqx h ALA 849 Cb 0.44 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2aqx h ALA 849 CO -0.43 -0.60 0.27 1.88 0.00 0.00 0.00 179.25 180.37 2aqx h TYR 850 N -0.17 0.51 -0.38 0.00 0.05 0.13 0.63 116.97 117.73 2aqx h TYR 850 Ca 0.15 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.98 2aqx h TYR 850 Cb 0.41 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.95 2aqx h TYR 850 CO -0.38 0.30 0.17 -0.09 -1.05 0.00 0.00 178.16 177.12 2aqx h ARG 851 N 0.54 0.35 -0.35 4.88 1.12 0.74 -0.66 114.38 121.00 2aqx h ARG 851 Ca 0.17 -0.02 -0.12 0.00 -1.11 0.00 0.00 59.98 58.89 2aqx h ARG 851 Cb -0.02 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 29.85 2aqx h ARG 851 CO -0.06 0.23 -0.29 -0.44 -3.11 0.00 0.00 179.97 176.30 2aqx h ASP 852 N 0.36 0.76 -0.30 -3.80 3.32 0.01 -2.31 116.42 114.47 2aqx h ASP 852 Ca 0.17 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2aqx h ASP 852 Cb 0.10 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2aqx h ASP 852 CO -0.14 1.00 0.18 -0.09 -1.72 0.00 0.00 179.24 178.47 2aqx h ARG 853 N 0.63 0.41 -0.98 3.56 9.65 -0.40 -2.26 114.38 124.99 2aqx h ARG 853 Ca 0.08 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.94 2aqx h ARG 853 Cb 0.80 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 29.25 2aqx h ARG 853 CO 0.07 0.33 0.64 -0.07 2.80 0.00 0.00 179.97 183.74 2aqx h LEU 854 N 0.38 1.09 -0.73 3.80 3.38 -1.02 -1.28 115.31 120.93 2aqx h LEU 854 Ca 0.11 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2aqx h LEU 854 Cb 0.03 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 2aqx h LEU 854 CO -0.02 0.76 0.45 0.11 0.09 0.00 0.00 178.44 179.83 2aqx h LYS 855 N 1.27 0.83 -0.44 1.13 1.57 -1.11 -0.64 116.57 119.17 2aqx h LYS 855 Ca 0.38 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.07 2aqx h LYS 855 Cb -0.06 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 2aqx h LYS 855 CO -0.11 0.55 0.14 0.00 -0.57 0.00 0.00 179.45 179.47 2aqx h ALA 856 N 1.33 0.58 -0.57 3.86 0.00 -0.82 0.38 119.26 124.02 2aqx h ALA 856 Ca 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2aqx h ALA 856 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2aqx h ALA 856 CO -0.13 0.23 0.27 0.82 0.00 0.00 0.00 179.25 180.43 2aqx h ILE 857 N 0.58 1.19 -0.09 0.00 2.04 -0.85 -2.37 117.51 118.00 2aqx h ILE 857 Ca 0.14 -0.54 -0.22 0.00 1.00 0.00 0.00 64.86 65.24 2aqx h ILE 857 Cb 0.26 0.47 0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2aqx h ILE 857 CO -0.01 0.22 -0.81 -0.09 0.00 0.00 0.00 178.15 177.47 2aqx h ARG 858 N 0.80 0.61 -0.23 2.37 2.43 -0.45 -1.46 114.38 118.45 2aqx h ARG 858 Ca 0.20 -0.53 0.01 0.00 -0.81 0.00 0.00 59.98 58.84 2aqx h ARG 858 Cb 0.09 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2aqx h ARG 858 CO -0.03 1.15 0.13 0.00 -1.51 0.00 0.00 179.97 179.72 2aqx h ALA 859 N 0.69 0.28 -0.41 2.80 0.00 -0.69 -2.70 119.26 119.22 2aqx h ALA 859 Ca -0.06 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2aqx h ALA 859 Cb 1.43 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2aqx h ALA 859 CO 0.15 -0.27 -0.01 1.15 0.00 0.00 0.00 179.25 180.27 2aqx h THR 860 N 0.27 1.23 -0.44 0.00 2.02 -1.40 -2.69 112.91 111.90 2aqx h THR 860 Ca 0.09 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 2aqx h THR 860 Cb -0.00 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2aqx h THR 860 CO -0.04 0.32 0.17 -0.07 0.37 0.00 0.00 175.52 176.27 2aqx h LEU 861 N 0.63 0.56 -0.39 2.58 3.38 -0.95 0.60 115.31 121.72 2aqx h LEU 861 Ca 0.13 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2aqx h LEU 861 Cb 0.41 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2aqx h LEU 861 CO 0.02 0.52 0.21 -0.33 0.09 0.00 0.00 178.44 178.95 2aqx h GLU 862 N 0.62 0.42 -0.31 1.13 5.08 -1.22 -2.77 114.58 117.53 2aqx h GLU 862 Ca 0.15 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 2aqx h GLU 862 Cb 0.13 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2aqx h GLU 862 CO -0.01 0.28 -0.32 0.82 -1.00 0.00 0.00 179.01 178.77 2aqx h ILE 863 N 0.43 1.28 -2.23 3.13 2.04 -1.42 -3.48 117.51 117.26 2aqx h ILE 863 Ca 0.16 -1.46 -0.56 0.00 1.00 0.00 0.00 64.86 64.01 2aqx h ILE 863 Cb 0.04 1.39 0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2aqx h ILE 863 CO -0.09 0.47 1.34 -0.55 0.00 0.00 0.00 178.15 179.32 2aqx s SER 864 N -6.81 6.00 0.27 1.72 0.15 0.17 -4.89 113.70 110.31 2aqx s SER 864 Ca -0.08 2.24 -0.04 0.00 0.70 0.00 0.00 55.95 58.77 2aqx s SER 864 Cb 0.13 -2.52 0.35 0.00 -1.71 0.00 0.00 66.02 62.26 2aqx s SER 864 CO 0.83 -1.48 1.93 -0.65 1.20 0.00 0.00 173.24 175.08 2aqx h PRO 865 N 12.60 1.18 -0.34 5.44 0.11 -1.90 -2.13 132.00 146.97 2aqx h PRO 865 Ca -0.45 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 2aqx h PRO 865 Cb 1.23 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 2aqx h PRO 865 CO 0.95 0.80 0.16 0.35 -0.21 0.00 0.00 178.00 180.05 2aqx h PHE 866 N 1.21 0.49 0.04 0.65 3.57 -1.95 -3.17 116.94 117.76 2aqx h PHE 866 Ca 0.32 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 2aqx h PHE 866 Cb -0.10 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.49 2aqx h PHE 866 CO 0.00 0.43 -0.02 0.35 -2.23 0.00 0.00 178.31 176.85 2aqx h PHE 867 N 0.41 -0.05 0.00 0.41 3.57 -1.73 -2.69 116.94 116.86 2aqx h PHE 867 Ca 0.12 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2aqx h PHE 867 Cb 0.13 0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.88 2aqx h PHE 867 CO -0.01 -0.01 0.00 0.36 -2.23 0.00 0.00 178.31 176.42 2aqx n LYS 868 N -5.10 0.01 -0.05 1.11 2.85 -0.96 -2.25 118.16 113.76 2aqx n LYS 868 Ca -0.07 0.36 0.02 0.00 -1.05 0.00 0.00 58.31 57.57 2aqx n LYS 868 Cb 0.06 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 32.97 2aqx n LYS 868 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2aqx s HIS 870 N -1.22 2.74 -0.49 0.00 3.76 -0.95 0.17 115.29 119.30 2aqx s HIS 870 Ca 0.08 -0.15 -0.23 0.00 -0.15 0.00 0.00 55.06 54.61 2aqx s HIS 870 Cb 0.07 -1.50 0.03 0.00 1.11 0.00 0.00 32.58 32.29 2aqx s HIS 870 CO 0.01 0.36 0.84 -2.00 -0.85 0.00 0.00 174.74 173.10 2aqx s GLU 871 N -1.75 3.36 -0.88 1.40 2.12 -0.29 -4.88 118.70 117.79 2aqx s GLU 871 Ca 0.18 -0.21 -0.14 0.00 0.36 0.00 0.00 54.97 55.17 2aqx s GLU 871 Cb -0.11 -3.99 0.22 0.00 0.26 0.00 0.00 34.13 30.51 2aqx s GLU 871 CO 0.09 -1.27 0.85 0.08 -0.54 0.00 0.00 175.26 174.47 2aqx s VAL 872 N 3.52 5.61 0.12 3.70 1.01 -1.26 -2.15 120.40 130.94 2aqx s VAL 872 Ca 0.29 -2.55 0.07 0.00 0.00 0.00 0.00 61.98 59.79 2aqx s VAL 872 Cb -0.13 -4.52 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 2aqx s VAL 872 CO 0.21 -1.09 -0.07 -0.63 0.00 0.00 0.00 175.10 173.51 2aqx s ILE 873 N 0.15 3.50 0.00 2.22 -1.09 -1.19 -4.65 121.20 120.13 2aqx s ILE 873 Ca 0.21 -1.28 0.00 0.00 -2.23 0.00 0.00 60.65 57.35 2aqx s ILE 873 Cb -0.10 -2.67 0.00 0.00 -1.58 0.00 0.00 42.46 38.12 2aqx s ILE 873 CO -0.09 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.30 2aqx n GLY 874 N 0.52 0.41 3.93 6.18 0.00 -1.26 -3.72 105.19 111.25 2aqx n GLY 874 Ca -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 2aqx n GLY 874 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aqx s SER 875 N -2.39 5.17 0.05 1.61 1.04 -1.23 -4.81 113.70 113.13 2aqx s SER 875 Ca 0.00 0.50 -0.00 0.00 0.48 0.00 0.00 55.95 56.93 2aqx s SER 875 Cb 0.00 -1.31 -0.04 0.00 0.10 0.00 0.00 66.02 64.77 2aqx s SER 875 CO 0.00 -1.34 -0.04 -0.44 0.98 0.00 0.00 173.24 172.41 2aqx s SER 876 N -4.42 0.57 -0.19 7.02 0.01 -0.93 -0.52 113.70 115.24 2aqx s SER 876 Ca 0.57 -0.94 -0.08 0.00 1.31 0.00 0.00 55.95 56.81 2aqx s SER 876 Cb -0.11 0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.25 2aqx s SER 876 CO 0.44 -0.54 0.07 -0.76 0.41 0.00 0.00 173.24 172.86 2aqx s LEU 877 N -2.76 3.85 -0.29 2.44 1.43 0.62 -2.00 118.68 121.96 2aqx s LEU 877 Ca 0.05 0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.17 2aqx s LEU 877 Cb 0.05 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.31 2aqx s LEU 877 CO -0.08 0.16 0.07 -0.22 0.23 0.00 0.00 176.35 176.51 2aqx s LEU 878 N 0.46 3.84 -0.18 1.79 2.96 -0.29 -1.64 118.68 125.62 2aqx s LEU 878 Ca 0.04 -0.74 -0.12 0.00 -0.22 0.00 0.00 54.13 53.09 2aqx s LEU 878 Cb -0.12 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 2aqx s LEU 878 CO 0.00 -0.20 0.20 -0.36 -1.32 0.00 0.00 176.35 174.67 2aqx s PHE 879 N 1.49 3.43 -0.05 5.38 2.99 0.00 -2.27 117.98 128.95 2aqx s PHE 879 Ca 0.02 0.44 0.02 0.00 0.00 0.00 0.00 56.93 57.41 2aqx s PHE 879 Cb -0.17 -2.23 0.01 0.00 0.00 0.00 0.00 43.02 40.63 2aqx s PHE 879 CO 0.02 0.27 -0.10 0.42 -0.00 0.00 0.00 175.22 175.83 2aqx s ILE 880 N 0.41 0.94 0.05 0.64 1.01 -0.07 -1.34 121.20 122.84 2aqx s ILE 880 Ca 0.11 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 2aqx s ILE 880 Cb -0.12 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 2aqx s ILE 880 CO 0.00 0.31 0.10 -1.38 0.00 0.00 0.00 174.94 173.97 2aqx s HIS 881 N 0.61 0.25 0.09 3.97 -3.43 -0.70 -0.92 115.29 115.15 2aqx s HIS 881 Ca -0.11 -0.64 0.01 0.00 -0.80 0.00 0.00 55.06 53.52 2aqx s HIS 881 Cb -0.14 -0.17 -0.00 0.00 -1.43 0.00 0.00 32.58 30.84 2aqx s HIS 881 CO 0.02 -0.42 0.04 -0.40 -2.00 0.00 0.00 174.74 171.98 2aqx n ASP 882 N 0.41 0.87 0.22 7.38 5.68 -1.00 -0.20 116.55 129.91 2aqx n ASP 882 Ca -0.17 -1.47 0.15 0.00 -0.50 0.00 0.00 54.79 52.80 2aqx n ASP 882 Cb 0.60 0.24 0.71 0.00 -1.14 0.00 0.00 41.12 41.53 2aqx n ASP 882 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2aqx h LYS 883 N 0.00 0.00 -0.15 0.11 1.57 -1.84 -2.38 116.57 113.88 2aqx h LYS 883 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2aqx h LYS 883 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2aqx h LYS 883 CO 0.11 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.62 2aqx n LYS 884 N -2.66 1.49 -1.95 3.15 4.01 -1.26 -4.92 118.16 116.02 2aqx n LYS 884 Ca 0.00 -0.75 -0.20 0.00 -0.51 0.00 0.00 58.31 56.86 2aqx n LYS 884 Cb 0.19 -1.30 -0.05 0.00 -0.51 0.00 0.00 35.03 33.36 2aqx n LYS 884 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2aqx n GLU 885 N 0.01 -1.46 -2.64 1.97 1.02 -0.90 -5.00 120.64 113.63 2aqx n GLU 885 Ca 0.13 1.08 -0.41 0.00 -0.02 0.00 0.00 57.16 57.94 2aqx n GLU 885 Cb 0.22 -5.54 -0.04 0.00 -0.02 0.00 0.00 31.44 26.06 2aqx n GLU 885 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2aqx s GLN 886 N -4.29 4.63 -0.16 3.49 0.74 -1.26 -4.79 119.66 118.02 2aqx s GLN 886 Ca 0.00 1.55 -0.04 0.00 0.05 0.00 0.00 55.36 56.91 2aqx s GLN 886 Cb 0.00 -3.36 0.08 0.00 1.10 0.00 0.00 33.01 30.83 2aqx s GLN 886 CO 0.00 0.10 0.26 0.00 -0.55 0.00 0.00 175.29 175.10 2aqx s ALA 887 N 0.18 -0.52 0.26 1.58 0.00 -1.26 -2.36 121.76 119.63 2aqx s ALA 887 Ca 0.49 0.76 0.02 0.00 0.00 0.00 0.00 51.96 53.23 2aqx s ALA 887 Cb -0.25 -1.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 2aqx s ALA 887 CO 0.31 -0.83 0.06 0.15 0.00 0.00 0.00 175.76 175.44 2aqx s LYS 888 N 2.41 1.41 0.01 0.00 1.02 -0.10 -4.65 119.74 119.84 2aqx s LYS 888 Ca 0.04 -1.75 0.01 0.00 0.02 0.00 0.00 55.97 54.29 2aqx s LYS 888 Cb -0.13 -0.45 -0.01 0.00 -0.52 0.00 0.00 37.83 36.72 2aqx s LYS 888 CO -0.10 -0.22 -0.04 0.08 -0.92 0.00 0.00 175.35 174.15 2aqx s VAL 889 N -3.59 0.28 0.04 3.17 1.01 -1.26 -0.90 120.40 119.17 2aqx s VAL 889 Ca 0.34 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 2aqx s VAL 889 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 2aqx s VAL 889 CO 0.12 -0.08 -0.02 0.26 0.00 0.00 0.00 175.10 175.38 2aqx s TRP 890 N -0.47 0.45 -0.21 5.22 0.51 -0.96 -4.92 118.94 118.56 2aqx s TRP 890 Ca -0.03 -0.93 -0.15 0.00 -2.12 0.00 0.00 56.10 52.87 2aqx s TRP 890 Cb -0.04 -0.33 -0.04 0.00 -0.81 0.00 0.00 33.47 32.25 2aqx s TRP 890 CO -0.00 -0.35 0.35 -1.64 -0.51 0.00 0.00 176.95 174.80 2aqx s MET 891 N -3.40 4.14 0.28 4.98 -1.94 0.13 -1.14 119.30 122.34 2aqx s MET 891 Ca 0.02 0.09 0.03 0.00 -1.71 0.00 0.00 55.69 54.12 2aqx s MET 891 Cb 0.04 -3.54 -0.06 0.00 2.01 0.00 0.00 34.83 33.28 2aqx s MET 891 CO -0.08 -0.03 0.06 0.96 -0.01 0.00 0.00 175.02 175.92 2aqx s ILE 892 N 1.30 0.90 -0.17 2.53 -4.36 -0.85 -4.26 121.20 116.29 2aqx s ILE 892 Ca 0.16 -2.01 -0.04 0.00 -0.26 0.00 0.00 60.65 58.50 2aqx s ILE 892 Cb -0.15 -2.63 0.02 0.00 1.25 0.00 0.00 42.46 40.95 2aqx s ILE 892 CO 0.07 -0.07 0.09 -0.67 0.24 0.00 0.00 174.94 174.60 2aqx n ASP 893 N -0.54 -3.41 -0.50 4.36 -0.08 -1.26 -2.19 116.55 112.94 2aqx n ASP 893 Ca -0.02 0.96 0.07 0.00 -1.51 0.00 0.00 54.79 54.28 2aqx n ASP 893 Cb 0.66 -3.95 0.15 0.00 2.34 0.00 0.00 41.12 40.31 2aqx n ASP 893 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2aqx n PHE 894 N 0.83 0.00 0.14 -0.67 3.72 -1.26 -3.56 117.46 116.66 2aqx n PHE 894 Ca -0.15 -1.11 0.15 0.00 -0.05 0.00 0.00 57.45 56.29 2aqx n PHE 894 Cb 0.23 -0.19 0.69 0.00 -0.94 0.00 0.00 39.48 39.28 2aqx n PHE 894 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2aqx h GLY 895 N 0.57 0.00 -2.61 1.37 0.00 -1.87 -3.18 103.07 97.35 2aqx h GLY 895 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.14 2aqx h GLY 895 CO 0.01 0.00 -0.80 0.28 0.00 0.00 0.00 176.54 176.03 2aqx n LYS 896 N -4.35 1.40 -4.40 4.80 5.02 -1.26 -4.57 118.16 114.79 2aqx n LYS 896 Ca 0.03 -3.04 -0.34 0.00 -2.02 0.00 0.00 58.31 52.95 2aqx n LYS 896 Cb 0.35 -1.19 -0.13 0.00 -0.02 0.00 0.00 35.03 34.04 2aqx n LYS 896 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2aqx s THR 897 N -2.46 3.64 -0.02 -0.18 2.01 -1.20 -3.17 115.64 114.26 2aqx s THR 897 Ca 0.37 -0.44 -0.01 0.00 0.31 0.00 0.00 61.69 61.92 2aqx s THR 897 Cb 0.38 -2.59 0.01 0.00 0.01 0.00 0.00 72.50 70.30 2aqx s THR 897 CO -0.08 0.49 0.05 0.42 -0.69 0.00 0.00 174.62 174.80 2aqx s THR 898 N 0.56 -0.01 0.32 -0.82 -4.23 -0.91 -4.85 115.64 105.70 2aqx s THR 898 Ca -0.04 0.03 -0.29 0.00 -1.18 0.00 0.00 61.69 60.21 2aqx s THR 898 Cb -0.15 -0.08 -0.10 0.00 1.34 0.00 0.00 72.50 73.51 2aqx s THR 898 CO 0.03 0.01 1.31 -2.16 -0.54 0.00 0.00 174.62 173.26 2aqx s PRO 899 N 0.16 4.36 0.96 3.99 0.04 -1.26 -1.14 135.00 142.12 2aqx s PRO 899 Ca -0.01 2.20 -0.12 0.00 0.04 0.00 0.00 61.00 63.11 2aqx s PRO 899 Cb -0.02 -3.08 0.17 0.00 0.04 0.00 0.00 34.50 31.61 2aqx s PRO 899 CO -0.00 -0.18 1.09 -0.51 0.04 0.00 0.00 177.00 177.43 2aqx s LEU 900 N -1.68 1.99 1.13 -3.56 1.43 0.46 -4.86 118.68 113.59 2aqx s LEU 900 Ca 0.49 1.57 -0.13 0.00 -1.03 0.00 0.00 54.13 55.04 2aqx s LEU 900 Cb -0.39 -3.86 0.26 0.00 0.03 0.00 0.00 46.19 42.23 2aqx s LEU 900 CO 0.52 -3.07 1.05 -2.84 0.23 0.00 0.00 176.35 172.23 2aqx s PRO 901 N -4.80 -0.62 0.27 1.29 0.02 -1.26 -4.89 135.00 125.01 2aqx s PRO 901 Ca 0.65 0.67 -0.30 0.00 0.02 0.00 0.00 61.00 62.04 2aqx s PRO 901 Cb -0.20 -1.60 -0.14 0.00 0.02 0.00 0.00 34.50 32.58 2aqx s PRO 901 CO 0.59 -3.48 1.26 -1.91 -0.33 0.00 0.00 177.00 173.13 2aqx n GLU 902 N -4.72 1.81 -1.46 5.54 4.07 -1.26 -2.57 120.64 122.05 2aqx n GLU 902 Ca 0.03 0.64 -0.16 0.00 -0.06 0.00 0.00 57.16 57.61 2aqx n GLU 902 Cb 0.56 -2.19 -0.07 0.00 -0.06 0.00 0.00 31.44 29.67 2aqx n GLU 902 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2aqx n GLY 903 N 1.57 1.52 3.71 8.31 0.00 -1.26 -4.97 105.19 114.07 2aqx n GLY 903 Ca 0.10 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 2aqx n GLY 903 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2aqx s GLN 904 N -3.32 2.55 0.01 1.61 0.74 -1.06 -5.14 119.66 115.06 2aqx s GLN 904 Ca 0.00 -1.19 -0.08 0.00 0.05 0.00 0.00 55.36 54.14 2aqx s GLN 904 Cb 0.00 -2.37 0.00 0.00 1.10 0.00 0.00 33.01 31.75 2aqx s GLN 904 CO 0.00 0.41 0.15 0.99 -0.55 0.00 0.00 175.29 176.29 2aqx s THR 905 N -2.08 0.09 0.23 -0.34 2.01 -1.26 -4.62 115.64 109.67 2aqx s THR 905 Ca 0.31 -0.77 0.08 0.00 0.31 0.00 0.00 61.69 61.62 2aqx s THR 905 Cb -0.08 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 2aqx s THR 905 CO 0.21 -0.42 0.05 -0.76 -0.69 0.00 0.00 174.62 173.01 2aqx s LEU 906 N -1.60 3.41 -0.24 4.42 1.43 -0.23 -5.03 118.68 120.85 2aqx s LEU 906 Ca -0.12 -0.44 0.05 0.00 -1.03 0.00 0.00 54.13 52.59 2aqx s LEU 906 Cb -0.06 -1.99 -0.19 0.00 0.03 0.00 0.00 46.19 43.99 2aqx s LEU 906 CO 0.00 0.03 -0.13 0.00 0.23 0.00 0.00 176.35 176.47 2aqx n GLN 907 N -0.66 0.66 -0.56 1.70 1.13 -1.26 -4.81 117.38 113.57 2aqx n GLN 907 Ca -0.08 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 2aqx n GLN 907 Cb 0.57 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 29.39 2aqx n GLN 907 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2aqx n HIS 908 N -3.16 0.00 -0.27 1.08 8.25 -1.26 -4.69 115.22 115.16 2aqx n HIS 908 Ca -0.42 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 2aqx n HIS 908 Cb 1.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.14 2aqx n HIS 908 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2aqx n ASP 909 N 0.00 0.46 -4.94 0.41 3.85 -1.26 -0.57 116.55 114.50 2aqx n ASP 909 Ca 0.00 -0.82 -0.26 0.00 -0.71 0.00 0.00 54.79 53.00 2aqx n ASP 909 Cb 0.00 0.17 -0.03 0.00 -1.35 0.00 0.00 41.12 39.91 2aqx n ASP 909 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 2aqx s VAL 910 N -0.17 5.28 0.36 2.12 -7.23 -1.26 -4.74 120.40 114.75 2aqx s VAL 910 Ca 0.00 -0.61 -0.28 0.00 -1.81 0.00 0.00 61.98 59.28 2aqx s VAL 910 Cb 0.00 -3.75 -0.10 0.00 0.56 0.00 0.00 36.38 33.08 2aqx s VAL 910 CO 0.00 -0.15 1.37 -2.84 -0.31 0.00 0.00 175.10 173.17 2aqx s PRO 911 N -3.35 4.23 0.07 4.82 0.02 -1.26 -4.46 135.00 135.07 2aqx s PRO 911 Ca 0.36 2.34 -0.31 0.00 0.02 0.00 0.00 61.00 63.41 2aqx s PRO 911 Cb -0.11 -3.00 -0.07 0.00 0.02 0.00 0.00 34.50 31.34 2aqx s PRO 911 CO 0.29 -0.34 1.37 -0.46 -0.33 0.00 0.00 177.00 177.52 2aqx s TRP 912 N -1.14 3.13 -0.04 6.54 -0.00 -1.26 -4.91 118.94 121.25 2aqx s TRP 912 Ca 0.51 0.95 0.06 0.00 -0.00 0.00 0.00 56.10 57.62 2aqx s TRP 912 Cb -0.42 -3.64 -0.01 0.00 -0.00 0.00 0.00 33.47 29.40 2aqx s TRP 912 CO 0.56 -2.26 -0.24 -0.65 -0.00 0.00 0.00 176.95 174.37 2aqx s GLN 913 N 1.55 2.23 -0.17 5.86 -0.21 -1.26 -5.05 119.66 122.61 2aqx s GLN 913 Ca 0.64 -0.85 -0.33 0.00 0.02 0.00 0.00 55.36 54.84 2aqx s GLN 913 Cb -0.34 -1.98 -0.10 0.00 1.00 0.00 0.00 33.01 31.59 2aqx s GLN 913 CO 0.29 0.41 2.03 -1.91 -2.12 0.00 0.00 175.29 173.99 2aqx n GLU 914 N 2.81 1.92 0.00 2.91 2.13 -1.26 -0.61 120.64 128.55 2aqx n GLU 914 Ca -0.17 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.29 2aqx n GLU 914 Cb 0.52 -2.75 0.00 0.00 0.27 0.00 0.00 31.44 29.48 2aqx n GLU 914 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2aqx n GLY 915 N 5.18 2.70 0.00 8.31 0.00 -1.26 -4.96 105.19 115.16 2aqx n GLY 915 Ca 0.28 -0.85 0.14 0.00 0.00 0.00 0.00 46.02 45.60 2aqx n GLY 915 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2aqx n ASN 916 N 0.00 0.00 0.00 1.61 0.23 0.22 -4.92 115.26 112.40 2aqx n ASN 916 Ca 0.00 0.14 0.00 0.00 -0.53 0.00 0.00 54.58 54.19 2aqx n ASN 916 Cb 0.00 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 37.32 2aqx n ASN 916 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2aqx n ARG 917 N -1.38 -1.62 -2.30 -3.83 1.74 -1.26 -4.97 116.66 103.04 2aqx n ARG 917 Ca 0.11 0.41 -0.40 0.00 -0.77 0.00 0.00 57.85 57.20 2aqx n ARG 917 Cb 0.29 -4.74 -0.03 0.00 -1.02 0.00 0.00 32.46 26.96 2aqx n ARG 917 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2aqx s GLU 918 N -1.70 4.35 -0.00 5.56 0.41 -1.26 -4.82 118.70 121.24 2aqx s GLU 918 Ca 0.00 1.95 0.07 0.00 -0.41 0.00 0.00 54.97 56.57 2aqx s GLU 918 Cb 0.00 -2.98 -0.08 0.00 -1.78 0.00 0.00 34.13 29.30 2aqx s GLU 918 CO 0.00 -0.09 0.29 -0.40 -0.49 0.00 0.00 175.26 174.57 2aqx n ASP 919 N 0.68 0.46 -1.08 -0.19 5.68 -1.26 -4.53 116.55 116.31 2aqx n ASP 919 Ca 0.01 -0.64 -0.14 0.00 -0.50 0.00 0.00 54.79 53.53 2aqx n ASP 919 Cb 0.44 1.01 -0.06 0.00 -1.14 0.00 0.00 41.12 41.38 2aqx n ASP 919 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2aqx n GLY 920 N 1.20 1.34 0.11 6.12 0.00 -1.25 -0.20 105.19 112.51 2aqx n GLY 920 Ca 0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 2aqx n GLY 920 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2aqx h TYR 921 N 0.00 -0.15 -0.38 1.61 3.20 -1.73 0.12 116.97 119.64 2aqx h TYR 921 Ca -0.28 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.58 2aqx h TYR 921 Cb 0.92 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.24 2aqx h TYR 921 CO 0.38 -0.10 0.17 -0.07 -1.64 0.00 0.00 178.16 176.91 2aqx h LEU 922 N -0.09 0.48 -0.45 2.82 3.38 -1.18 0.87 115.31 121.14 2aqx h LEU 922 Ca 0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aqx h LEU 922 Cb 0.14 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2aqx h LEU 922 CO -0.09 0.42 0.29 0.28 0.09 0.00 0.00 178.44 179.43 2aqx h SER 923 N 0.54 0.52 0.19 -0.43 0.02 -0.97 0.31 113.55 113.73 2aqx h SER 923 Ca 0.14 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2aqx h SER 923 Cb 0.08 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 2aqx h SER 923 CO -0.02 0.39 -0.36 1.23 -1.14 0.00 0.00 176.83 176.93 2aqx h GLY 924 N 0.60 -0.74 1.27 -3.77 0.00 -0.07 -2.57 103.07 97.79 2aqx h GLY 924 Ca 0.16 0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.88 2aqx h GLY 924 CO -0.03 -0.27 0.27 -2.00 0.00 0.00 0.00 176.54 174.50 2aqx h LEU 925 N -0.63 0.86 -0.24 3.11 5.85 -0.54 -2.13 115.31 121.58 2aqx h LEU 925 Ca 0.01 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.65 2aqx h LEU 925 Cb 0.63 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2aqx h LEU 925 CO -0.17 0.76 0.05 0.44 -0.34 0.00 0.00 178.44 179.18 2aqx h ASP 926 N 0.93 0.01 0.29 1.25 3.32 -0.23 -0.89 116.42 121.10 2aqx h ASP 926 Ca 0.22 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.24 2aqx h ASP 926 Cb 0.16 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2aqx h ASP 926 CO -0.02 0.04 -0.32 0.78 -1.72 0.00 0.00 179.24 178.00 2aqx h ASN 927 N 0.14 0.05 -0.42 6.45 2.35 -1.21 -0.41 115.58 122.53 2aqx h ASN 927 Ca 0.11 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 2aqx h ASN 927 Cb 0.11 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2aqx h ASN 927 CO -0.14 0.37 0.08 -0.07 -1.65 0.00 0.00 177.43 176.02 2aqx h LEU 928 N 0.05 0.66 -0.97 1.61 4.07 -1.02 -0.82 115.31 118.88 2aqx h LEU 928 Ca 0.00 -0.25 -0.04 0.00 0.08 0.00 0.00 57.88 57.68 2aqx h LEU 928 Cb 0.58 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.12 2aqx h LEU 928 CO 0.04 0.74 0.26 0.40 -1.08 0.00 0.00 178.44 178.79 2aqx h ILE 929 N 0.55 1.24 -0.24 1.22 2.04 -0.73 -2.30 117.51 119.28 2aqx h ILE 929 Ca 0.13 -0.76 -0.09 0.00 1.00 0.00 0.00 64.86 65.15 2aqx h ILE 929 Cb 0.35 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2aqx h ILE 929 CO 0.01 0.30 -0.18 0.44 0.00 0.00 0.00 178.15 178.72 2aqx h ASP 930 N 0.97 0.58 -0.87 1.72 3.32 -0.87 -2.20 116.42 119.07 2aqx h ASP 930 Ca 0.23 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 2aqx h ASP 930 Cb 0.21 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 2aqx h ASP 930 CO -0.02 0.90 0.47 0.40 -1.72 0.00 0.00 179.24 179.27 2aqx h ILE 931 N 0.26 1.26 0.01 0.35 2.04 -1.00 -2.34 117.51 118.09 2aqx h ILE 931 Ca 0.05 -0.65 -0.24 0.00 1.00 0.00 0.00 64.86 65.02 2aqx h ILE 931 Cb 0.71 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2aqx h ILE 931 CO 0.05 0.29 -0.98 -0.07 0.00 0.00 0.00 178.15 177.43 2aqx h LEU 932 N 1.23 0.61 -0.24 1.44 3.38 -1.41 -1.88 115.31 118.43 2aqx h LEU 932 Ca 0.31 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.83 2aqx h LEU 932 Cb 0.04 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2aqx h LEU 932 CO -0.05 1.30 -0.03 0.74 0.09 0.00 0.00 178.44 180.49 2aqx h THR 933 N 0.25 0.79 -0.20 0.22 2.02 -1.28 0.56 112.91 115.26 2aqx h THR 933 Ca -0.09 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2aqx h THR 933 Cb 1.63 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 2aqx h THR 933 CO 0.17 0.01 0.08 -0.08 0.37 0.00 0.00 175.52 176.07 2aqx h GLU 934 N 0.04 0.31 -0.00 6.66 4.81 -1.41 -0.12 114.58 124.86 2aqx h GLU 934 Ca 0.12 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 2aqx h GLU 934 Cb 0.16 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2aqx h GLU 934 CO -0.22 0.37 -0.22 0.52 -0.73 0.00 0.00 179.01 178.72 2aqx h MET 935 N 0.18 0.01 0.00 1.92 2.86 -1.20 -2.83 114.93 115.87 2aqx h MET 935 Ca 0.07 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2aqx h MET 935 Cb 0.18 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2aqx h MET 935 CO -0.01 0.23 -0.40 0.66 1.06 0.00 0.00 176.91 178.46 2aqx h SER 936 N 0.01 0.00 0.00 1.22 4.64 0.59 -3.50 113.55 116.51 2aqx h SER 936 Ca -0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2aqx h SER 936 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2aqx h SER 936 CO 0.03 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.01