#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uk1 s SER 663 N 0.00 -0.66 -0.49 3.14 0.15 -1.26 -4.75 113.70 109.83 1uk1 s SER 663 Ca 0.00 0.86 0.06 0.00 0.70 0.00 0.00 55.95 57.57 1uk1 s SER 663 Cb 0.00 0.73 0.38 0.00 -1.71 0.00 0.00 66.02 65.42 1uk1 s SER 663 CO 0.00 -0.53 1.00 2.29 1.20 0.00 0.00 173.24 177.20 1uk1 n LYS 664 N 1.31 2.99 -4.71 5.44 2.85 -1.26 -5.02 118.16 119.76 1uk1 n LYS 664 Ca -0.18 -4.49 -0.33 0.00 -1.05 0.00 0.00 58.31 52.25 1uk1 n LYS 664 Cb 0.57 -2.13 -0.12 0.00 -0.65 0.00 0.00 35.03 32.69 1uk1 n LYS 664 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1uk1 s LEU 665 N -3.40 2.96 0.87 -5.58 1.02 -1.26 -5.11 118.68 108.19 1uk1 s LEU 665 Ca 0.46 -0.14 -0.11 0.00 0.02 0.00 0.00 54.13 54.37 1uk1 s LEU 665 Cb 0.35 -1.64 0.12 0.00 0.02 0.00 0.00 46.19 45.03 1uk1 s LEU 665 CO -0.14 0.30 1.11 -2.16 0.02 0.00 0.00 176.35 175.48 1uk1 s PRO 666 N -0.44 1.41 0.04 1.29 0.04 -1.26 -4.55 135.00 131.53 1uk1 s PRO 666 Ca 0.06 1.27 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 1uk1 s PRO 666 Cb -0.12 -1.79 0.06 0.00 0.04 0.00 0.00 34.50 32.68 1uk1 s PRO 666 CO 0.02 -2.27 0.22 1.17 0.04 0.00 0.00 177.00 176.18 1uk1 n LYS 667 N -3.96 -0.02 -0.18 4.56 4.81 -1.26 0.36 118.16 122.47 1uk1 n LYS 667 Ca 0.10 0.22 -0.03 0.00 -0.87 0.00 0.00 58.31 57.72 1uk1 n LYS 667 Cb 0.53 -0.32 0.16 0.00 0.02 0.00 0.00 35.03 35.42 1uk1 n LYS 667 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1uk1 h PRO 668 N 0.00 0.95 0.01 1.64 0.13 -1.97 -2.97 132.00 129.78 1uk1 h PRO 668 Ca 0.06 -0.18 -0.12 0.00 -0.87 0.00 0.00 66.00 64.90 1uk1 h PRO 668 Cb 0.10 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.06 1uk1 h PRO 668 CO -0.14 0.80 -0.63 -0.24 -0.23 0.00 0.00 178.00 177.56 1uk1 h VAL 669 N 0.92 1.37 -0.58 1.56 3.04 -0.39 -3.28 116.25 118.89 1uk1 h VAL 669 Ca 0.21 -2.28 0.12 0.00 -1.01 0.00 0.00 66.70 63.74 1uk1 h VAL 669 Cb 0.24 2.84 -0.10 0.00 -2.01 0.00 0.00 31.29 32.26 1uk1 h VAL 669 CO -0.01 0.48 -0.03 0.06 -1.01 0.00 0.00 177.57 177.06 1uk1 h GLN 670 N -0.96 0.09 0.00 4.17 3.07 -1.73 0.50 115.11 120.24 1uk1 h GLN 670 Ca -0.17 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.56 1uk1 h GLN 670 Cb 1.18 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.72 1uk1 h GLN 670 CO -0.09 0.06 0.00 -0.25 0.09 0.00 0.00 178.83 178.64 1uk1 n ASP 671 N -5.29 0.00 0.00 0.06 8.00 -1.12 -1.97 116.55 116.22 1uk1 n ASP 671 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1uk1 n ASP 671 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 1uk1 n ASP 671 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1uk1 n LEU 672 N -0.47 0.18 -0.36 0.64 0.00 0.96 -4.35 117.00 113.60 1uk1 n LEU 672 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 56.01 56.01 1uk1 n LEU 672 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 43.42 43.47 1uk1 n LEU 672 CO 0.00 0.03 0.56 -0.38 0.00 0.00 0.00 177.39 177.60 1uk1 n ILE 673 N -1.29 -0.48 0.02 1.96 2.08 0.14 0.49 119.36 122.27 1uk1 n ILE 673 Ca 0.00 2.19 -0.19 0.00 0.56 0.00 0.00 62.75 65.31 1uk1 n ILE 673 Cb 0.23 -2.91 -0.14 0.00 -0.75 0.00 0.00 39.64 36.07 1uk1 n ILE 673 CO 0.00 0.00 0.00 0.07 0.56 0.00 0.00 176.55 177.18 1uk1 h LYS 674 N 0.00 0.23 -0.77 0.38 -0.00 -1.64 -3.31 116.57 111.45 1uk1 h LYS 674 Ca 0.34 -0.39 0.14 0.00 -0.00 0.00 0.00 60.65 60.74 1uk1 h LYS 674 Cb 0.57 0.14 -0.14 0.00 -0.00 0.00 0.00 32.23 32.80 1uk1 h LYS 674 CO -0.93 1.19 -0.28 1.98 -0.00 0.00 0.00 179.45 181.40 1uk1 h MET 675 N -0.50 -0.05 -1.00 0.07 4.05 -1.37 0.56 114.93 116.70 1uk1 h MET 675 Ca -0.15 0.00 0.33 0.00 -0.28 0.00 0.00 59.70 59.60 1uk1 h MET 675 Cb 1.54 0.01 -0.15 0.00 -0.80 0.00 0.00 31.60 32.20 1uk1 h MET 675 CO 0.10 -0.03 0.56 -0.84 0.23 0.00 0.00 176.91 176.92 1uk1 h ILE 676 N -0.05 0.27 0.00 1.77 3.07 -0.15 0.41 117.51 122.83 1uk1 h ILE 676 Ca 0.33 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.64 1uk1 h ILE 676 Cb 0.58 -0.05 0.00 0.00 -0.27 0.00 0.00 36.82 37.08 1uk1 h ILE 676 CO -0.81 0.05 0.00 0.49 -1.05 0.00 0.00 178.15 176.83 1uk1 n PHE 677 N -5.08 0.00 -1.35 0.16 0.99 0.20 -4.51 117.46 107.88 1uk1 n PHE 677 Ca 0.32 0.00 -0.57 0.00 -0.00 0.00 0.00 57.45 57.20 1uk1 n PHE 677 Cb 1.01 0.00 -0.10 0.00 -1.00 0.00 0.00 39.48 39.39 1uk1 n PHE 677 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1uk1 n ASP 678 N -0.91 1.32 0.20 4.37 2.03 0.13 -4.83 116.55 118.85 1uk1 n ASP 678 Ca 0.14 0.60 0.09 0.00 0.52 0.00 0.00 54.79 56.14 1uk1 n ASP 678 Cb 0.06 -1.04 0.22 0.00 -0.72 0.00 0.00 41.12 39.65 1uk1 n ASP 678 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1uk1 h VAL 679 N 6.94 0.43 -0.57 5.18 2.07 -1.91 0.14 116.25 128.52 1uk1 h VAL 679 Ca -0.18 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1uk1 h VAL 679 Cb 1.38 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1uk1 h VAL 679 CO 1.06 0.23 0.00 1.21 0.02 0.00 0.00 177.57 180.08 1uk1 n GLU 680 N -3.21 4.46 -0.07 1.57 0.00 -1.26 -1.47 120.64 120.66 1uk1 n GLU 680 Ca 0.02 -2.95 -0.14 0.00 0.00 0.00 0.00 57.16 54.09 1uk1 n GLU 680 Cb 0.56 -2.15 -0.14 0.00 0.00 0.00 0.00 31.44 29.72 1uk1 n GLU 680 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1uk1 n SER 681 N 0.73 1.11 0.00 4.31 3.41 0.28 -3.91 113.62 119.55 1uk1 n SER 681 Ca 0.26 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1uk1 n SER 681 Cb 1.08 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 65.06 1uk1 n SER 681 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1uk1 n MET 682 N -3.09 0.00 0.26 4.33 2.81 -0.01 -0.85 117.12 120.57 1uk1 n MET 682 Ca -0.32 0.71 0.15 0.00 -1.81 0.00 0.00 57.70 56.44 1uk1 n MET 682 Cb 1.07 -1.39 0.87 0.00 -0.71 0.00 0.00 33.22 33.06 1uk1 n MET 682 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1uk1 h LYS 683 N 0.00 0.00 -0.78 0.03 2.10 -1.52 0.32 116.57 116.72 1uk1 h LYS 683 Ca 0.00 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.70 1uk1 h LYS 683 Cb 0.00 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.28 1uk1 h LYS 683 CO 0.00 0.00 0.47 -0.22 -2.00 0.00 0.00 179.45 177.70 1uk1 h LYS 684 N 0.00 0.86 -0.56 0.07 3.64 -1.56 -1.19 116.57 117.83 1uk1 h LYS 684 Ca 0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1uk1 h LYS 684 Cb 0.18 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1uk1 h LYS 684 CO -0.00 0.57 0.36 0.00 -2.27 0.00 0.00 179.45 178.11 1uk1 h ALA 685 N 1.36 0.71 -0.47 5.00 0.00 0.16 -2.06 119.26 123.97 1uk1 h ALA 685 Ca 0.33 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1uk1 h ALA 685 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1uk1 h ALA 685 CO -0.16 0.15 0.01 0.52 0.00 0.00 0.00 179.25 179.78 1uk1 h MET 686 N 0.75 0.82 -0.49 0.00 2.86 -1.03 -2.02 114.93 115.82 1uk1 h MET 686 Ca 0.20 -0.25 0.08 0.00 -2.06 0.00 0.00 59.70 57.67 1uk1 h MET 686 Cb -0.07 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 31.44 1uk1 h MET 686 CO -0.04 0.86 0.12 0.28 1.06 0.00 0.00 176.91 179.19 1uk1 h VAL 687 N 0.67 0.76 0.00 -2.22 2.07 -1.15 -2.36 116.25 114.02 1uk1 h VAL 687 Ca 0.13 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1uk1 h VAL 687 Cb 0.49 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1uk1 h VAL 687 CO 0.02 0.05 0.00 -1.84 0.02 0.00 0.00 177.57 175.82 1uk1 n GLU 688 N -5.08 0.01 0.17 1.57 0.28 -0.78 0.11 120.64 116.91 1uk1 n GLU 688 Ca 0.05 0.39 0.12 0.00 -0.16 0.00 0.00 57.16 57.57 1uk1 n GLU 688 Cb 0.23 -1.52 0.27 0.00 1.43 0.00 0.00 31.44 31.85 1uk1 n GLU 688 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 1uk1 h TYR 689 N 0.00 0.00 -5.50 -1.84 0.05 -1.19 -3.48 116.97 105.02 1uk1 h TYR 689 Ca 0.00 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.49 1uk1 h TYR 689 Cb 0.12 0.00 0.18 0.00 1.01 0.00 0.00 36.73 38.04 1uk1 h TYR 689 CO 0.00 0.00 -0.78 -0.85 -1.05 0.00 0.00 178.16 175.48 1uk1 n GLU 690 N -2.74 -4.98 -3.15 4.88 0.00 0.30 -4.96 120.64 109.99 1uk1 n GLU 690 Ca 0.05 0.83 -0.39 0.00 0.00 0.00 0.00 57.16 57.65 1uk1 n GLU 690 Cb 0.49 -5.76 -0.05 0.00 0.00 0.00 0.00 31.44 26.11 1uk1 n GLU 690 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1uk1 s ILE 691 N -3.36 4.84 -0.64 3.84 -1.09 -0.93 -0.62 121.20 123.23 1uk1 s ILE 691 Ca 0.16 1.36 -0.23 0.00 -2.23 0.00 0.00 60.65 59.70 1uk1 s ILE 691 Cb -0.02 -3.98 0.07 0.00 -1.58 0.00 0.00 42.46 36.95 1uk1 s ILE 691 CO 0.71 0.42 0.95 1.51 -1.23 0.00 0.00 174.94 177.30 1uk1 s ASP 692 N -0.25 6.19 0.58 3.58 1.47 0.11 -4.53 116.67 123.82 1uk1 s ASP 692 Ca 0.33 -0.93 0.28 0.00 1.18 0.00 0.00 52.55 53.40 1uk1 s ASP 692 Cb -0.19 -2.42 1.64 0.00 -0.34 0.00 0.00 42.92 41.61 1uk1 s ASP 692 CO 0.19 -1.40 2.13 -0.07 0.68 0.00 0.00 175.17 176.69 1uk1 h LEU 693 N 11.26 0.00 -0.99 2.11 4.07 -1.85 0.43 115.31 130.33 1uk1 h LEU 693 Ca -0.29 0.00 0.37 0.00 0.08 0.00 0.00 57.88 58.04 1uk1 h LEU 693 Cb 1.07 0.00 -0.18 0.00 1.08 0.00 0.00 40.66 42.63 1uk1 h LEU 693 CO 1.17 0.00 0.39 -0.61 -1.08 0.00 0.00 178.44 178.31 1uk1 h GLN 694 N 0.00 0.03 -0.00 1.13 5.75 -1.97 -2.05 115.11 118.00 1uk1 h GLN 694 Ca 0.07 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1uk1 h GLN 694 Cb 0.39 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.93 1uk1 h GLN 694 CO -0.00 0.02 -0.35 0.36 -2.65 0.00 0.00 178.83 176.20 1uk1 n LYS 695 N -5.31 3.70 -3.92 1.69 2.85 0.12 -4.88 118.16 112.42 1uk1 n LYS 695 Ca 0.33 -0.13 -0.30 0.00 -1.05 0.00 0.00 58.31 57.16 1uk1 n LYS 695 Cb 1.11 -0.94 -0.14 0.00 -0.65 0.00 0.00 35.03 34.41 1uk1 n LYS 695 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1uk1 s MET 696 N -1.68 1.77 0.12 -1.58 1.75 0.39 -5.02 119.30 115.05 1uk1 s MET 696 Ca 0.04 -2.39 -0.12 0.00 -1.25 0.00 0.00 55.69 51.97 1uk1 s MET 696 Cb 0.07 -3.12 -0.06 0.00 2.84 0.00 0.00 34.83 34.55 1uk1 s MET 696 CO 0.32 -1.09 0.49 -1.25 -0.65 0.00 0.00 175.02 172.84 1uk1 s PRO 697 N 0.02 3.89 0.20 4.11 0.04 -0.88 -3.85 135.00 138.51 1uk1 s PRO 697 Ca 0.16 0.36 -0.21 0.00 0.04 0.00 0.00 61.00 61.34 1uk1 s PRO 697 Cb -0.25 -2.94 0.12 0.00 0.04 0.00 0.00 34.50 31.47 1uk1 s PRO 697 CO -0.02 0.50 1.48 1.28 0.04 0.00 0.00 177.00 180.29 1uk1 n LEU 698 N 0.80 -0.76 -0.11 -3.56 4.77 -1.26 -0.82 117.00 116.05 1uk1 n LEU 698 Ca -0.06 1.68 0.08 0.00 -0.03 0.00 0.00 56.01 57.68 1uk1 n LEU 698 Cb 0.52 -0.32 0.13 0.00 -2.33 0.00 0.00 43.42 41.42 1uk1 n LEU 698 CO 0.42 -1.46 0.23 0.61 -1.33 0.00 0.00 177.39 175.87 1uk1 n GLY 699 N -1.37 -0.16 1.96 -0.72 0.00 -1.26 -2.61 105.19 101.03 1uk1 n GLY 699 Ca 0.07 0.11 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 1uk1 n GLY 699 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uk1 n LYS 700 N -2.41 0.79 -1.21 1.61 4.76 -0.00 -5.13 118.16 116.56 1uk1 n LYS 700 Ca 0.07 -1.14 -0.31 0.00 -2.87 0.00 0.00 58.31 54.06 1uk1 n LYS 700 Cb 0.32 0.44 0.10 0.00 -1.84 0.00 0.00 35.03 34.05 1uk1 n LYS 700 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 1uk1 s LEU 701 N -2.37 3.06 0.01 -0.35 2.34 -0.29 -4.80 118.68 116.26 1uk1 s LEU 701 Ca 0.05 1.96 0.02 0.00 0.06 0.00 0.00 54.13 56.23 1uk1 s LEU 701 Cb 0.26 -4.54 -0.01 0.00 -0.56 0.00 0.00 46.19 41.34 1uk1 s LEU 701 CO -0.07 -2.24 -0.07 -0.55 -1.06 0.00 0.00 176.35 172.36 1uk1 s SER 702 N -3.04 0.82 0.21 1.48 0.15 -1.26 -5.03 113.70 107.03 1uk1 s SER 702 Ca 0.64 -0.21 -0.17 0.00 0.70 0.00 0.00 55.95 56.91 1uk1 s SER 702 Cb -0.20 -0.07 0.20 0.00 -1.71 0.00 0.00 66.02 64.25 1uk1 s SER 702 CO 0.54 0.03 1.59 0.11 1.20 0.00 0.00 173.24 176.71 1uk1 h LYS 703 N 5.69 -0.09 -0.26 5.44 1.57 -1.97 -2.52 116.57 124.44 1uk1 h LYS 703 Ca -0.30 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.43 1uk1 h LYS 703 Cb 1.19 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1uk1 h LYS 703 CO 0.48 -0.06 -0.05 0.07 -0.57 0.00 0.00 179.45 179.32 1uk1 h ARG 704 N -0.09 0.49 -1.76 3.15 -0.00 -1.99 0.46 114.38 114.64 1uk1 h ARG 704 Ca 0.29 -0.18 0.51 0.00 -0.00 0.00 0.00 59.98 60.60 1uk1 h ARG 704 Cb 0.56 -0.03 -0.07 0.00 -0.00 0.00 0.00 29.97 30.43 1uk1 h ARG 704 CO -0.75 0.70 1.33 1.96 -0.00 0.00 0.00 179.97 183.21 1uk1 h GLN 705 N 0.24 0.00 0.02 0.08 4.20 -1.98 0.58 115.11 118.25 1uk1 h GLN 705 Ca 0.07 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.47 1uk1 h GLN 705 Cb 0.51 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.24 1uk1 h GLN 705 CO 0.02 0.00 -1.82 -0.89 -0.67 0.00 0.00 178.83 175.47 1uk1 n ILE 706 N -3.86 1.61 -0.08 2.54 2.08 -0.39 -3.10 119.36 118.16 1uk1 n ILE 706 Ca 0.39 -0.78 -0.11 0.00 0.56 0.00 0.00 62.75 62.81 1uk1 n ILE 706 Cb 1.86 -1.09 -0.04 0.00 -0.75 0.00 0.00 39.64 39.62 1uk1 n ILE 706 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1uk1 h GLN 707 N 0.01 0.41 -0.88 0.38 4.20 0.17 -0.65 115.11 118.75 1uk1 h GLN 707 Ca -0.33 -0.13 0.17 0.00 0.06 0.00 0.00 58.65 58.42 1uk1 h GLN 707 Cb 2.04 -0.04 -0.16 0.00 0.30 0.00 0.00 27.48 29.61 1uk1 h GLN 707 CO 0.07 0.58 -0.26 0.00 -0.67 0.00 0.00 178.83 178.55 1uk1 h ALA 708 N 0.82 0.45 -0.51 3.87 0.00 -1.11 -0.63 119.26 122.15 1uk1 h ALA 708 Ca 0.07 0.32 -0.09 0.00 0.00 0.00 0.00 54.91 55.21 1uk1 h ALA 708 Cb 0.38 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1uk1 h ALA 708 CO 0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 179.25 178.76 1uk1 h ALA 709 N 1.71 0.97 -0.47 0.00 0.00 -1.47 -2.15 119.26 117.85 1uk1 h ALA 709 Ca 0.39 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1uk1 h ALA 709 Cb 0.63 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1uk1 h ALA 709 CO -0.91 0.62 0.22 1.88 0.00 0.00 0.00 179.25 181.06 1uk1 h TYR 710 N 0.81 0.40 0.00 0.00 0.05 -0.32 -0.93 116.97 116.99 1uk1 h TYR 710 Ca 0.15 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.84 1uk1 h TYR 710 Cb 0.54 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.15 1uk1 h TYR 710 CO 0.03 0.18 -0.52 0.66 -1.05 0.00 0.00 178.16 177.46 1uk1 h SER 711 N 0.43 0.00 -0.61 3.88 4.64 -0.96 -0.09 113.55 120.85 1uk1 h SER 711 Ca 0.21 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.62 1uk1 h SER 711 Cb 0.15 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.17 1uk1 h SER 711 CO -0.17 0.52 0.25 0.40 -0.87 0.00 0.00 176.83 176.97 1uk1 h ILE 712 N 0.00 0.80 -0.57 0.95 2.04 -1.31 0.30 117.51 119.73 1uk1 h ILE 712 Ca -0.01 -0.15 0.10 0.00 1.00 0.00 0.00 64.86 65.80 1uk1 h ILE 712 Cb 1.13 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1uk1 h ILE 712 CO 0.07 0.08 0.39 -0.07 0.00 0.00 0.00 178.15 178.62 1uk1 h LEU 713 N 0.45 0.31 0.29 1.44 3.38 0.37 0.20 115.31 121.75 1uk1 h LEU 713 Ca 0.30 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1uk1 h LEU 713 Cb 0.35 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1uk1 h LEU 713 CO -0.28 0.18 -0.14 0.28 0.09 0.00 0.00 178.44 178.57 1uk1 h SER 714 N 0.34 -0.33 -0.81 -0.43 0.02 -0.41 -2.39 113.55 109.55 1uk1 h SER 714 Ca 0.27 -0.18 0.13 0.00 -0.84 0.00 0.00 61.79 61.16 1uk1 h SER 714 Cb 0.60 0.08 -0.13 0.00 0.14 0.00 0.00 62.40 63.09 1uk1 h SER 714 CO -0.07 0.15 -0.31 -0.62 -1.14 0.00 0.00 176.83 174.85 1uk1 n GLU 715 N -5.04 -0.18 -0.21 3.45 1.02 0.99 -0.27 120.64 120.40 1uk1 n GLU 715 Ca -0.08 1.24 -0.08 0.00 -0.02 0.00 0.00 57.16 58.23 1uk1 n GLU 715 Cb 0.25 -1.85 0.03 0.00 -0.02 0.00 0.00 31.44 29.85 1uk1 n GLU 715 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1uk1 h VAL 716 N 0.00 1.25 -0.21 2.62 3.04 -0.64 0.91 116.25 123.21 1uk1 h VAL 716 Ca 0.29 -0.86 -0.12 0.00 -1.01 0.00 0.00 66.70 65.00 1uk1 h VAL 716 Cb 0.49 0.68 -0.01 0.00 -2.01 0.00 0.00 31.29 30.44 1uk1 h VAL 716 CO -0.80 0.32 -0.36 -0.61 -1.01 0.00 0.00 177.57 175.11 1uk1 h GLN 717 N 0.85 0.46 0.04 4.17 -0.00 -0.67 0.11 115.11 120.06 1uk1 h GLN 717 Ca 0.19 -0.21 -0.24 0.00 -0.00 0.00 0.00 58.65 58.38 1uk1 h GLN 717 Cb 0.32 -0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.77 1uk1 h GLN 717 CO -0.00 0.76 -1.21 -0.56 0.00 0.00 0.00 178.83 177.82 1uk1 h GLN 718 N 0.39 0.08 -0.42 1.69 3.07 -0.52 -2.23 115.11 117.17 1uk1 h GLN 718 Ca 0.04 -0.13 0.04 0.00 0.09 0.00 0.00 58.65 58.69 1uk1 h GLN 718 Cb 0.82 0.05 -0.05 0.00 0.08 0.00 0.00 27.48 28.38 1uk1 h GLN 718 CO 0.07 0.98 -0.25 0.00 0.09 0.00 0.00 178.83 179.72 1uk1 n ALA 719 N -2.45 -0.27 0.05 0.06 0.00 0.30 -0.62 120.51 117.59 1uk1 n ALA 719 Ca -0.06 0.36 0.21 0.00 0.00 0.00 0.00 53.44 53.96 1uk1 n ALA 719 Cb 0.98 0.18 0.71 0.00 0.00 0.00 0.00 19.45 21.32 1uk1 n ALA 719 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1uk1 h VAL 720 N 0.00 0.31 0.01 0.00 2.07 -0.55 -1.31 116.25 116.78 1uk1 h VAL 720 Ca 0.07 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 67.20 1uk1 h VAL 720 Cb 0.17 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1uk1 h VAL 720 CO -0.40 0.00 -2.42 -1.54 0.02 0.00 0.00 177.57 173.24 1uk1 n SER 721 N -3.63 1.81 -0.99 0.57 3.41 -0.69 -3.95 113.62 110.16 1uk1 n SER 721 Ca 0.09 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1uk1 n SER 721 Cb 0.74 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1uk1 n SER 721 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uk1 n GLN 722 N -3.24 0.34 -2.76 4.33 6.02 0.21 -4.82 117.38 117.47 1uk1 n GLN 722 Ca -0.43 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 1uk1 n GLN 722 Cb 1.01 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.95 1uk1 n GLN 722 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uk1 n GLY 723 N 0.82 0.00 3.87 1.08 0.00 -1.21 -4.88 105.19 104.86 1uk1 n GLY 723 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1uk1 n GLY 723 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uk1 s SER 724 N -3.48 4.96 -0.36 1.61 0.01 -0.50 -4.91 113.70 111.04 1uk1 s SER 724 Ca 0.00 1.09 -0.41 0.00 1.31 0.00 0.00 55.95 57.94 1uk1 s SER 724 Cb 0.00 -1.80 -0.16 0.00 0.21 0.00 0.00 66.02 64.28 1uk1 s SER 724 CO 0.00 -1.64 1.88 -0.24 0.41 0.00 0.00 173.24 173.65 1uk1 n SER 725 N -3.19 1.93 -0.27 2.44 2.88 -1.26 -4.80 113.62 111.35 1uk1 n SER 725 Ca 0.07 0.89 0.03 0.00 -1.33 0.00 0.00 58.87 58.53 1uk1 n SER 725 Cb 0.58 -1.09 0.08 0.00 -0.75 0.00 0.00 64.21 63.02 1uk1 n SER 725 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1uk1 n ASP 726 N 6.49 -0.32 -0.13 -3.46 9.92 -1.26 0.79 116.55 128.58 1uk1 n ASP 726 Ca 0.35 1.25 -0.03 0.00 -0.53 0.00 0.00 54.79 55.82 1uk1 n ASP 726 Cb 0.10 -0.35 -0.03 0.00 -0.64 0.00 0.00 41.12 40.20 1uk1 n ASP 726 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1uk1 n SER 727 N -5.14 -0.32 0.13 -2.24 7.64 -1.26 -0.53 113.62 111.90 1uk1 n SER 727 Ca 0.10 1.04 0.04 0.00 1.01 0.00 0.00 58.87 61.06 1uk1 n SER 727 Cb 0.34 -0.32 0.45 0.00 -1.01 0.00 0.00 64.21 63.67 1uk1 n SER 727 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1uk1 h GLN 728 N 0.00 0.23 -0.83 1.43 5.75 0.03 -0.52 115.11 121.20 1uk1 h GLN 728 Ca 0.05 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.57 1uk1 h GLN 728 Cb 0.12 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.57 1uk1 h GLN 728 CO -0.28 0.29 0.51 0.82 -2.65 0.00 0.00 178.83 177.52 1uk1 h ILE 729 N 0.23 1.02 -0.40 2.39 2.04 -0.28 0.15 117.51 122.66 1uk1 h ILE 729 Ca 0.05 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.65 1uk1 h ILE 729 Cb 0.23 0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 36.28 1uk1 h ILE 729 CO 0.01 0.17 0.11 0.25 0.00 0.00 0.00 178.15 178.69 1uk1 h LEU 730 N 0.92 0.08 -0.75 1.44 6.46 -0.13 -1.70 115.31 121.62 1uk1 h LEU 730 Ca 0.37 0.06 -0.12 0.00 -0.12 0.00 0.00 57.88 58.06 1uk1 h LEU 730 Cb 0.19 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 1uk1 h LEU 730 CO -0.18 0.08 -0.37 -0.78 -0.62 0.00 0.00 178.44 176.56 1uk1 h ASP 731 N 0.25 0.54 -0.00 1.25 -0.00 0.48 -2.00 116.42 116.94 1uk1 h ASP 731 Ca 0.19 -0.23 0.03 0.00 -0.00 0.00 0.00 57.03 57.02 1uk1 h ASP 731 Cb 0.20 -0.15 -0.04 0.00 -0.00 0.00 0.00 39.33 39.35 1uk1 h ASP 731 CO -0.22 0.86 -0.18 -0.07 -0.00 0.00 0.00 179.24 179.63 1uk1 h LEU 732 N 0.43 -0.52 -0.97 2.28 3.38 -0.63 0.35 115.31 119.64 1uk1 h LEU 732 Ca 0.04 0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.26 1uk1 h LEU 732 Cb 0.85 0.22 -0.17 0.00 0.09 0.00 0.00 40.66 41.65 1uk1 h LEU 732 CO 0.07 -0.24 -0.33 0.28 0.09 0.00 0.00 178.44 178.31 1uk1 h SER 733 N -0.29 -1.22 -0.84 -0.43 0.02 -1.27 0.64 113.55 110.16 1uk1 h SER 733 Ca 0.06 0.30 0.07 0.00 -0.84 0.00 0.00 61.79 61.38 1uk1 h SER 733 Cb 0.36 0.69 -0.06 0.00 0.14 0.00 0.00 62.40 63.53 1uk1 h SER 733 CO -0.17 -0.30 0.51 0.78 -1.14 0.00 0.00 176.83 176.51 1uk1 h ASN 734 N -0.01 0.78 0.86 3.07 2.35 -0.43 -0.07 115.58 122.13 1uk1 h ASN 734 Ca 0.39 0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 56.04 1uk1 h ASN 734 Cb 0.64 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1uk1 h ASN 734 CO -0.98 0.48 -0.58 0.03 -1.65 0.00 0.00 177.43 174.73 1uk1 h ARG 735 N 0.91 0.00 0.64 0.81 3.08 0.94 0.34 114.38 121.10 1uk1 h ARG 735 Ca 0.38 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.40 1uk1 h ARG 735 Cb 0.22 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.28 1uk1 h ARG 735 CO -0.19 0.58 -0.31 0.35 -1.07 0.00 0.00 179.97 179.33 1uk1 h PHE 736 N 0.00 -0.80 -1.11 3.04 3.57 -0.79 -3.09 116.94 117.75 1uk1 h PHE 736 Ca -0.01 -0.02 0.32 0.00 3.53 0.00 0.00 57.97 61.80 1uk1 h PHE 736 Cb 1.17 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 40.13 1uk1 h PHE 736 CO 0.00 -0.50 1.06 1.88 -2.23 0.00 0.00 178.31 178.52 1uk1 h TYR 737 N -0.91 0.00 -0.34 0.41 0.05 -0.84 0.40 116.97 115.75 1uk1 h TYR 737 Ca -0.09 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.58 1uk1 h TYR 737 Cb 0.66 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.39 1uk1 h TYR 737 CO 0.07 0.00 -0.23 1.15 -1.05 0.00 0.00 178.16 178.10 1uk1 h THR 738 N 0.00 1.29 -0.14 -2.88 2.02 -0.24 -3.37 112.91 109.59 1uk1 h THR 738 Ca 0.53 -1.38 -0.20 0.00 0.77 0.00 0.00 66.41 66.13 1uk1 h THR 738 Cb 2.64 1.44 0.01 0.00 -1.74 0.00 0.00 68.15 70.50 1uk1 h THR 738 CO -0.01 0.45 -0.68 0.25 0.37 0.00 0.00 175.52 175.90 1uk1 h LEU 739 N 0.53 0.84 -7.68 2.58 5.85 -0.27 -3.38 115.31 113.77 1uk1 h LEU 739 Ca 0.07 -0.63 -0.67 0.00 0.84 0.00 0.00 57.88 57.48 1uk1 h LEU 739 Cb 0.79 -0.25 -0.38 0.00 0.37 0.00 0.00 40.66 41.19 1uk1 h LEU 739 CO 0.06 1.34 -0.65 -0.63 -0.34 0.00 0.00 178.44 178.22 1uk1 s ILE 740 N -3.72 2.65 -0.29 4.05 -1.09 0.35 -5.01 121.20 118.13 1uk1 s ILE 740 Ca -0.11 -2.42 -0.29 0.00 -2.23 0.00 0.00 60.65 55.61 1uk1 s ILE 740 Cb 0.07 -2.89 -0.02 0.00 -1.58 0.00 0.00 42.46 38.04 1uk1 s ILE 740 CO 0.88 -0.66 1.78 -2.84 -1.23 0.00 0.00 174.94 172.86 1uk1 s PRO 741 N 0.78 3.45 0.60 2.79 0.02 -1.26 -4.64 135.00 136.74 1uk1 s PRO 741 Ca 0.11 1.53 -0.03 0.00 0.02 0.00 0.00 61.00 62.64 1uk1 s PRO 741 Cb -0.21 -4.17 0.03 0.00 0.02 0.00 0.00 34.50 30.18 1uk1 s PRO 741 CO -0.06 -1.72 0.87 -1.01 -0.33 0.00 0.00 177.00 174.75 1uk1 s HIS 742 N 6.49 2.98 -0.62 6.54 3.76 -1.26 0.06 115.29 133.25 1uk1 s HIS 742 Ca 0.79 0.28 0.06 0.00 -0.15 0.00 0.00 55.06 56.04 1uk1 s HIS 742 Cb -0.24 -2.86 0.22 0.00 1.11 0.00 0.00 32.58 30.82 1uk1 s HIS 742 CO 0.33 -0.99 0.62 -3.47 -0.85 0.00 0.00 174.74 170.38 1uk1 n ASP 743 N -2.55 2.90 -1.07 1.40 2.03 0.21 -4.08 116.55 115.38 1uk1 n ASP 743 Ca 0.07 -3.23 0.07 0.00 0.52 0.00 0.00 54.79 52.22 1uk1 n ASP 743 Cb 0.59 -0.69 0.24 0.00 -0.72 0.00 0.00 41.12 40.54 1uk1 n ASP 743 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1uk1 n PHE 744 N 1.36 0.88 -4.07 -0.67 -0.00 -1.26 -4.89 117.46 108.80 1uk1 n PHE 744 Ca 0.26 -0.38 0.00 0.00 -0.00 0.00 0.00 57.45 57.33 1uk1 n PHE 744 Cb 0.41 -0.11 0.00 0.00 -0.00 0.00 0.00 39.48 39.78 1uk1 n PHE 744 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1uk1 n GLY 745 N 1.05 -0.52 2.71 7.13 0.00 -1.26 -4.73 105.19 109.57 1uk1 n GLY 745 Ca 0.17 -1.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.03 1uk1 n GLY 745 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1uk1 n MET 746 N 0.00 0.33 -2.60 1.61 0.00 -1.26 -4.62 117.12 110.57 1uk1 n MET 746 Ca 0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 57.70 56.39 1uk1 n MET 746 Cb 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 33.22 32.58 1uk1 n MET 746 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1uk1 n LYS 747 N 2.44 -2.50 -1.41 3.17 4.81 -1.26 -5.20 118.16 118.22 1uk1 n LYS 747 Ca 0.12 1.95 -0.29 0.00 -0.87 0.00 0.00 58.31 59.21 1uk1 n LYS 747 Cb 0.63 -2.47 0.13 0.00 0.02 0.00 0.00 35.03 33.34 1uk1 n LYS 747 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1uk1 s LYS 748 N -0.27 1.27 0.70 1.64 -2.85 -1.26 -4.88 119.74 114.08 1uk1 s LYS 748 Ca -0.08 0.52 -0.17 0.00 -1.00 0.00 0.00 55.97 55.25 1uk1 s LYS 748 Cb 0.01 -1.83 -0.08 0.00 -2.06 0.00 0.00 37.83 33.86 1uk1 s LYS 748 CO 0.20 -2.16 0.23 -0.35 0.10 0.00 0.00 175.35 173.37 1uk1 n PRO 749 N -3.78 0.21 -2.47 1.78 -0.04 -1.26 -4.87 135.00 124.56 1uk1 n PRO 749 Ca 0.06 0.10 -0.37 0.00 -0.04 0.00 0.00 63.50 63.25 1uk1 n PRO 749 Cb 0.57 -1.54 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 1uk1 n PRO 749 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1uk1 s PRO 750 N -2.25 4.19 -0.00 0.54 0.02 -1.26 -4.97 135.00 131.27 1uk1 s PRO 750 Ca 0.61 1.63 -0.30 0.00 0.02 0.00 0.00 61.00 62.95 1uk1 s PRO 750 Cb -0.37 -2.66 -0.05 0.00 0.02 0.00 0.00 34.50 31.44 1uk1 s PRO 750 CO 0.63 -0.14 1.41 -0.51 -0.33 0.00 0.00 177.00 178.06 1uk1 s LEU 751 N -2.46 4.31 -1.36 -5.54 1.43 -1.26 -4.91 118.68 108.90 1uk1 s LEU 751 Ca 0.56 2.12 -0.09 0.00 -1.03 0.00 0.00 54.13 55.68 1uk1 s LEU 751 Cb -0.25 -3.56 0.11 0.00 0.03 0.00 0.00 46.19 42.51 1uk1 s LEU 751 CO 0.32 -0.73 2.16 0.18 0.23 0.00 0.00 176.35 178.51 1uk1 n LEU 752 N 5.46 7.20 -0.18 1.79 4.77 -1.26 -4.01 117.00 130.76 1uk1 n LEU 752 Ca 0.13 -4.57 0.08 0.00 -0.03 0.00 0.00 56.01 51.62 1uk1 n LEU 752 Cb 0.44 -1.50 0.12 0.00 -2.33 0.00 0.00 43.42 40.15 1uk1 n LEU 752 CO 0.59 1.54 0.50 -0.46 -1.33 0.00 0.00 177.39 178.23 1uk1 n ASN 753 N 3.81 1.94 -4.46 -1.43 6.94 -1.26 -4.64 115.26 116.17 1uk1 n ASN 753 Ca 0.51 -2.96 -0.31 0.00 -0.02 0.00 0.00 54.58 51.80 1uk1 n ASN 753 Cb 0.33 -0.40 -0.13 0.00 -2.36 0.00 0.00 39.78 37.23 1uk1 n ASN 753 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1uk1 s ASN 754 N -2.60 3.79 0.33 0.53 3.84 -1.26 -4.99 114.94 114.59 1uk1 s ASN 754 Ca 0.27 -0.44 0.17 0.00 0.21 0.00 0.00 52.86 53.07 1uk1 s ASN 754 Cb 0.24 -0.59 0.49 0.00 -0.55 0.00 0.00 41.25 40.84 1uk1 s ASN 754 CO 0.02 0.25 1.64 0.00 -2.79 0.00 0.00 177.10 176.22 1uk1 h ALA 755 N 4.46 0.90 0.00 1.71 0.00 -1.96 -1.17 119.26 123.20 1uk1 h ALA 755 Ca -0.48 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.03 1uk1 h ALA 755 Cb 1.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1uk1 h ALA 755 CO 0.47 0.57 -0.10 -0.44 0.00 0.00 0.00 179.25 179.76 1uk1 h ASP 756 N 0.00 -0.29 0.61 0.00 3.32 -1.99 0.28 116.42 118.35 1uk1 h ASP 756 Ca -0.00 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1uk1 h ASP 756 Cb 1.05 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1uk1 h ASP 756 CO 0.06 -0.14 -0.32 0.28 -1.72 0.00 0.00 179.24 177.40 1uk1 h SER 757 N -0.17 0.00 -0.23 6.45 0.02 -1.89 0.21 113.55 117.94 1uk1 h SER 757 Ca 0.04 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.81 1uk1 h SER 757 Cb 0.22 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1uk1 h SER 757 CO -0.10 0.32 -0.54 -0.37 -1.14 0.00 0.00 176.83 175.00 1uk1 h VAL 758 N 0.00 1.28 0.00 2.27 -1.51 -0.99 -2.12 116.25 115.18 1uk1 h VAL 758 Ca -0.00 -1.74 0.00 0.00 -1.23 0.00 0.00 66.70 63.73 1uk1 h VAL 758 Cb 0.71 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1uk1 h VAL 758 CO 0.04 0.56 0.00 0.00 -1.23 0.00 0.00 177.57 176.94 1uk1 n GLN 759 N -4.00 0.00 -0.25 5.19 3.00 0.07 0.28 117.38 121.67 1uk1 n GLN 759 Ca -0.04 0.87 0.25 0.00 -0.01 0.00 0.00 57.00 58.07 1uk1 n GLN 759 Cb 0.62 -1.31 0.46 0.00 0.00 0.00 0.00 30.24 30.01 1uk1 n GLN 759 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1uk1 n ALA 760 N -2.85 0.80 0.16 -1.58 0.00 0.06 -0.35 120.51 116.75 1uk1 n ALA 760 Ca 0.00 0.80 0.05 0.00 0.00 0.00 0.00 53.44 54.29 1uk1 n ALA 760 Cb 0.00 -0.79 0.09 0.00 0.00 0.00 0.00 19.45 18.75 1uk1 n ALA 760 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1uk1 n LYS 761 N -4.77 1.59 -0.02 0.00 0.00 -0.80 -3.61 118.16 110.55 1uk1 n LYS 761 Ca 0.30 -1.55 -0.17 0.00 -0.00 0.00 0.00 58.31 56.89 1uk1 n LYS 761 Cb 1.00 -1.23 -0.08 0.00 -0.00 0.00 0.00 35.03 34.72 1uk1 n LYS 761 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1uk1 h VAL 762 N 2.03 1.31 -0.40 0.58 -1.51 0.28 -2.98 116.25 115.57 1uk1 h VAL 762 Ca 0.00 -1.94 0.00 0.00 -1.23 0.00 0.00 66.70 63.53 1uk1 h VAL 762 Cb 0.57 2.11 -0.02 0.00 -2.13 0.00 0.00 31.29 31.83 1uk1 h VAL 762 CO 0.00 0.60 0.26 -0.33 -1.23 0.00 0.00 177.57 176.87 1uk1 h GLU 763 N 0.35 0.52 -0.78 5.19 4.39 -1.31 0.25 114.58 123.19 1uk1 h GLU 763 Ca -0.05 -0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.74 1uk1 h GLU 763 Cb 1.33 -0.12 -0.13 0.00 -0.10 0.00 0.00 28.75 29.74 1uk1 h GLU 763 CO 0.14 0.35 -0.30 -0.12 -1.16 0.00 0.00 179.01 177.92 1uk1 n MET 764 N -4.81 -0.18 0.19 2.33 1.56 -1.24 -2.11 117.12 112.86 1uk1 n MET 764 Ca 0.00 1.20 0.06 0.00 -0.27 0.00 0.00 57.70 58.70 1uk1 n MET 764 Cb 0.02 -1.78 0.33 0.00 2.15 0.00 0.00 33.22 33.94 1uk1 n MET 764 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1uk1 h LEU 765 N 0.00 0.00 0.58 -0.89 3.38 -0.43 -0.50 115.31 117.45 1uk1 h LEU 765 Ca 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 1uk1 h LEU 765 Cb 0.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.23 1uk1 h LEU 765 CO -0.78 0.36 -0.28 0.44 0.09 0.00 0.00 178.44 178.28 1uk1 h ASP 766 N 0.00 -0.66 -0.69 -0.43 3.32 -0.49 -2.60 116.42 114.87 1uk1 h ASP 766 Ca -0.00 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.16 1uk1 h ASP 766 Cb 0.92 0.17 -0.11 0.00 0.22 0.00 0.00 39.33 40.52 1uk1 h ASP 766 CO 0.05 -0.30 -0.47 -1.13 -1.72 0.00 0.00 179.24 175.67 1uk1 h ASN 767 N -1.13 -1.65 -0.34 6.45 -0.73 -1.40 -0.12 115.58 116.67 1uk1 h ASN 767 Ca -0.08 0.27 0.10 0.00 1.87 0.00 0.00 56.30 58.46 1uk1 h ASN 767 Cb 0.60 0.75 -0.01 0.00 0.27 0.00 0.00 38.32 39.92 1uk1 h ASN 767 CO 0.13 -0.32 0.27 -0.07 -0.37 0.00 0.00 177.43 177.07 1uk1 h LEU 768 N -0.18 0.00 -1.74 0.34 3.38 -1.16 0.48 115.31 116.43 1uk1 h LEU 768 Ca 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1uk1 h LEU 768 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1uk1 h LEU 768 CO -0.76 0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 177.69 1uk1 h LEU 769 N 0.00 0.12 0.07 1.67 3.38 -0.60 1.02 115.31 120.97 1uk1 h LEU 769 Ca 0.16 -0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.83 1uk1 h LEU 769 Cb 0.69 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.44 1uk1 h LEU 769 CO -0.00 0.17 -1.17 0.44 0.09 0.00 0.00 178.44 177.97 1uk1 h ASP 770 N 0.14 0.89 -0.06 -0.43 3.32 -0.74 -2.62 116.42 116.92 1uk1 h ASP 770 Ca 0.03 -0.78 0.02 0.00 0.02 0.00 0.00 57.03 56.33 1uk1 h ASP 770 Cb 0.12 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 1uk1 h ASP 770 CO 0.00 1.58 0.11 0.40 -1.72 0.00 0.00 179.24 179.62 1uk1 h ILE 771 N 0.32 0.29 -0.19 0.35 2.04 -0.59 0.28 117.51 120.02 1uk1 h ILE 771 Ca -0.17 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.51 1uk1 h ILE 771 Cb 1.83 0.90 0.01 0.00 -0.74 0.00 0.00 36.82 38.82 1uk1 h ILE 771 CO 0.23 0.00 -0.62 -0.08 0.00 0.00 0.00 178.15 177.68 1uk1 h GLU 772 N 0.00 0.75 -0.15 2.37 4.22 0.10 -3.15 114.58 118.73 1uk1 h GLU 772 Ca 0.03 -0.56 -0.10 0.00 0.08 0.00 0.00 59.36 58.82 1uk1 h GLU 772 Cb 0.26 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1uk1 h GLU 772 CO -0.00 1.17 -0.28 -0.24 -2.18 0.00 0.00 179.01 177.48 1uk1 h VAL 773 N 0.47 1.36 -0.23 0.32 3.04 -0.29 0.38 116.25 121.31 1uk1 h VAL 773 Ca -0.02 -1.54 0.02 0.00 -1.01 0.00 0.00 66.70 64.15 1uk1 h VAL 773 Cb 1.24 1.99 -0.03 0.00 -2.01 0.00 0.00 31.29 32.48 1uk1 h VAL 773 CO 0.13 0.46 -0.17 0.00 -1.01 0.00 0.00 177.57 176.98 1uk1 h ALA 774 N 0.56 -0.27 -0.98 3.17 0.00 -0.76 0.15 119.26 121.13 1uk1 h ALA 774 Ca 0.01 0.02 0.30 0.00 0.00 0.00 0.00 54.91 55.23 1uk1 h ALA 774 Cb 0.87 1.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.52 1uk1 h ALA 774 CO 0.06 -0.38 0.50 -0.92 0.00 0.00 0.00 179.25 178.52 1uk1 h TYR 775 N -0.05 0.82 -0.64 0.00 3.20 -1.51 0.20 116.97 119.00 1uk1 h TYR 775 Ca 0.04 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 1uk1 h TYR 775 Cb 0.14 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 1uk1 h TYR 775 CO -0.84 -0.16 0.19 1.03 -1.64 0.00 0.00 178.16 176.74 1uk1 h SER 776 N 0.33 0.92 -0.10 -2.11 0.87 0.19 -3.10 113.55 110.55 1uk1 h SER 776 Ca 0.69 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 1uk1 h SER 776 Cb 1.51 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1uk1 h SER 776 CO -0.60 0.87 0.06 -0.07 -0.53 0.00 0.00 176.83 176.56 1uk1 h LEU 777 N 0.95 0.12 -1.80 2.23 -0.00 0.20 0.19 115.31 117.19 1uk1 h LEU 777 Ca 0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 1uk1 h LEU 777 Cb 0.29 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1uk1 h LEU 777 CO -0.01 0.09 0.00 0.18 -0.00 0.00 0.00 178.44 178.71 1uk1 n LEU 778 N -5.01 0.29 0.03 1.67 7.99 -0.96 -2.84 117.00 118.17 1uk1 n LEU 778 Ca -0.05 -0.15 0.00 0.00 -0.01 0.00 0.00 56.01 55.80 1uk1 n LEU 778 Cb 0.03 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.29 1uk1 n LEU 778 CO 0.33 0.05 -0.22 -2.11 -1.51 0.00 0.00 177.39 173.93 1uk1 n ARG 779 N 0.85 0.00 -0.14 3.23 1.85 0.65 -4.90 116.66 118.19 1uk1 n ARG 779 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1uk1 n ARG 779 Cb 0.05 -0.37 0.02 0.00 -1.05 0.00 0.00 32.46 31.11 1uk1 n ARG 779 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1uk1 n GLY 780 N 2.75 -0.77 0.00 2.89 0.00 -1.11 -1.32 105.19 107.63 1uk1 n GLY 780 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1uk1 n GLY 780 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uk1 n GLY 781 N -1.18 2.18 0.93 -0.02 0.00 -1.26 -5.03 105.19 100.81 1uk1 n GLY 781 Ca 0.04 -0.48 0.05 0.00 0.00 0.00 0.00 46.02 45.63 1uk1 n GLY 781 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uk1 n SER 782 N 0.00 1.27 -0.09 1.61 3.41 -0.43 -4.82 113.62 114.56 1uk1 n SER 782 Ca 0.00 -2.79 -0.15 0.00 -0.26 0.00 0.00 58.87 55.67 1uk1 n SER 782 Cb 0.00 -0.38 -0.09 0.00 -0.26 0.00 0.00 64.21 63.48 1uk1 n SER 782 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1uk1 h ASP 783 N 0.79 0.00 -0.27 4.04 1.82 -1.96 -3.51 116.42 117.34 1uk1 h ASP 783 Ca -0.10 -0.46 -0.36 0.00 -0.39 0.00 0.00 57.03 55.72 1uk1 h ASP 783 Cb 1.44 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.44 1uk1 h ASP 783 CO 0.04 1.18 0.40 -0.90 -1.61 0.00 0.00 179.24 178.35 1uk1 n ASP 784 N -4.53 0.45 0.16 2.28 5.75 -1.26 -4.91 116.55 114.48 1uk1 n ASP 784 Ca -0.21 0.43 0.02 0.00 -0.01 0.00 0.00 54.79 55.02 1uk1 n ASP 784 Cb 0.51 -0.38 0.10 0.00 -1.03 0.00 0.00 41.12 40.32 1uk1 n ASP 784 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1uk1 n SER 785 N 2.28 0.09 -0.21 -1.12 2.88 -1.26 -2.11 113.62 114.18 1uk1 n SER 785 Ca 0.17 0.33 0.02 0.00 -1.33 0.00 0.00 58.87 58.06 1uk1 n SER 785 Cb -0.02 -0.14 0.04 0.00 -0.75 0.00 0.00 64.21 63.34 1uk1 n SER 785 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uk1 n SER 786 N -1.81 2.07 -3.04 -3.46 2.88 -1.26 -4.94 113.62 104.07 1uk1 n SER 786 Ca -0.00 -1.79 -0.15 0.00 -1.33 0.00 0.00 58.87 55.60 1uk1 n SER 786 Cb 0.62 -0.06 0.01 0.00 -0.75 0.00 0.00 64.21 64.03 1uk1 n SER 786 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1uk1 n LYS 787 N -0.05 0.98 -2.53 -1.46 4.81 -0.90 -5.09 118.16 113.92 1uk1 n LYS 787 Ca 0.04 -2.89 0.00 0.00 -0.87 0.00 0.00 58.31 54.58 1uk1 n LYS 787 Cb 0.26 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 33.83 1uk1 n LYS 787 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1uk1 n ASP 788 N 0.35 -5.18 0.00 3.14 2.03 -1.26 -3.49 116.55 112.14 1uk1 n ASP 788 Ca 0.19 0.87 0.00 0.00 0.52 0.00 0.00 54.79 56.37 1uk1 n ASP 788 Cb 0.67 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 1uk1 n ASP 788 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1uk1 n PRO 789 N 2.28 0.00 -0.25 -0.67 -0.02 -1.26 -2.16 135.00 132.91 1uk1 n PRO 789 Ca 0.00 0.00 0.20 0.00 -2.02 0.00 0.00 63.50 61.68 1uk1 n PRO 789 Cb 0.00 0.00 0.52 0.00 -0.02 0.00 0.00 33.50 34.00 1uk1 n PRO 789 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1uk1 h ILE 790 N 0.00 0.66 0.20 4.25 5.03 -1.91 -2.58 117.51 123.15 1uk1 h ILE 790 Ca 0.00 -0.14 -0.32 0.00 -0.12 0.00 0.00 64.86 64.28 1uk1 h ILE 790 Cb 0.00 0.23 0.03 0.00 -3.03 0.00 0.00 36.82 34.05 1uk1 h ILE 790 CO 0.00 0.07 -1.39 0.44 -0.68 0.00 0.00 178.15 176.59 1uk1 h ASP 791 N 0.40 0.85 -0.42 1.72 3.45 -1.71 -2.52 116.42 118.19 1uk1 h ASP 791 Ca 0.48 -0.86 -0.03 0.00 0.43 0.00 0.00 57.03 57.05 1uk1 h ASP 791 Cb 1.22 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 39.69 1uk1 h ASP 791 CO -0.18 1.66 0.18 1.62 -1.57 0.00 0.00 179.24 180.95 1uk1 h VAL 792 N 0.20 1.18 -0.09 -1.35 3.04 -1.50 -1.17 116.25 116.55 1uk1 h VAL 792 Ca -0.23 -0.58 0.01 0.00 -1.01 0.00 0.00 66.70 64.90 1uk1 h VAL 792 Cb 2.07 0.63 -0.02 0.00 -2.01 0.00 0.00 31.29 31.96 1uk1 h VAL 792 CO 0.26 0.22 -0.13 0.78 -1.01 0.00 0.00 177.57 177.69 1uk1 h ASN 793 N 0.67 -0.45 -0.88 3.17 4.21 -1.58 -3.29 115.58 117.43 1uk1 h ASN 793 Ca 0.16 0.06 0.32 0.00 1.21 0.00 0.00 56.30 58.05 1uk1 h ASN 793 Cb 0.15 0.18 -0.16 0.00 -1.12 0.00 0.00 38.32 37.38 1uk1 h ASN 793 CO -0.01 -0.10 0.30 0.00 -1.29 0.00 0.00 177.43 176.33 1uk1 n TYR 794 N -3.34 0.85 0.30 1.19 9.36 -0.52 -0.42 117.16 124.58 1uk1 n TYR 794 Ca -0.01 1.04 0.19 0.00 3.32 0.00 0.00 57.90 62.44 1uk1 n TYR 794 Cb 0.08 -1.34 0.93 0.00 -0.63 0.00 0.00 39.34 38.39 1uk1 n TYR 794 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1uk1 h GLU 795 N 0.00 0.00 0.00 2.98 5.08 -1.42 -3.16 114.58 118.06 1uk1 h GLU 795 Ca 0.66 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.99 1uk1 h GLU 795 Cb 1.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 1uk1 h GLU 795 CO -0.73 0.02 -1.98 1.63 -1.00 0.00 0.00 179.01 176.95 1uk1 n LYS 796 N -3.19 0.66 0.00 2.33 5.02 0.44 -4.30 118.16 119.12 1uk1 n LYS 796 Ca -0.01 -0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1uk1 n LYS 796 Cb 0.19 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1uk1 n LYS 796 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1uk1 n LEU 797 N -2.32 0.00 -4.58 -0.35 4.77 -0.73 -4.72 117.00 109.07 1uk1 n LEU 797 Ca -0.06 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.52 1uk1 n LEU 797 Cb 0.61 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.67 1uk1 n LEU 797 CO 0.45 0.00 1.83 -1.59 -1.33 0.00 0.00 177.39 176.76 1uk1 s LYS 798 N -1.06 2.71 0.00 3.23 0.00 -1.26 -3.97 119.74 119.39 1uk1 s LYS 798 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 55.97 57.49 1uk1 s LYS 798 Cb 0.00 -4.43 0.00 0.00 0.00 0.00 0.00 37.83 33.40 1uk1 s LYS 798 CO 0.00 -2.59 0.00 -2.37 0.00 0.00 0.00 175.35 170.39 1uk1 n THR 799 N 7.73 0.00 -3.34 3.79 5.66 -1.26 -1.83 114.28 125.03 1uk1 n THR 799 Ca 0.30 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 61.10 1uk1 n THR 799 Cb 0.50 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.20 1uk1 n THR 799 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1uk1 s ASP 800 N -0.05 1.31 -0.66 1.09 2.15 -1.24 -4.70 116.67 114.57 1uk1 s ASP 800 Ca 0.00 -1.98 -0.05 0.00 0.43 0.00 0.00 52.55 50.95 1uk1 s ASP 800 Cb 0.00 0.32 -0.00 0.00 -0.30 0.00 0.00 42.92 42.94 1uk1 s ASP 800 CO 0.00 -0.23 2.86 -0.38 -0.17 0.00 0.00 175.17 177.25 1uk1 n ILE 801 N 3.84 3.79 -1.55 4.11 5.41 -1.26 -3.72 119.36 129.99 1uk1 n ILE 801 Ca 0.15 -2.99 -0.31 0.00 1.00 0.00 0.00 62.75 60.61 1uk1 n ILE 801 Cb 0.45 -1.87 0.06 0.00 -0.71 0.00 0.00 39.64 37.57 1uk1 n ILE 801 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1uk1 s LYS 802 N -0.75 2.82 -0.19 0.38 -0.14 -0.97 -4.76 119.74 116.14 1uk1 s LYS 802 Ca 0.60 0.93 -0.07 0.00 -1.36 0.00 0.00 55.97 56.08 1uk1 s LYS 802 Cb 0.31 -1.98 -0.04 0.00 -1.68 0.00 0.00 37.83 34.44 1uk1 s LYS 802 CO -0.14 -1.18 0.05 0.08 -0.76 0.00 0.00 175.35 173.41 1uk1 s VAL 803 N -3.05 4.58 -1.05 3.17 1.01 -1.26 -1.29 120.40 122.50 1uk1 s VAL 803 Ca 0.58 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.23 1uk1 s VAL 803 Cb -0.14 -3.07 0.04 0.00 0.00 0.00 0.00 36.38 33.21 1uk1 s VAL 803 CO 0.55 0.44 1.55 -0.69 0.00 0.00 0.00 175.10 176.95 1uk1 s VAL 804 N 0.59 3.89 0.00 2.92 1.01 0.15 -4.88 120.40 124.09 1uk1 s VAL 804 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1uk1 s VAL 804 Cb -0.13 -4.97 0.00 0.00 0.00 0.00 0.00 36.38 31.28 1uk1 s VAL 804 CO 0.01 -1.84 0.00 -0.67 0.00 0.00 0.00 175.10 172.61 1uk1 n ASP 805 N 9.42 0.00 0.00 3.32 -0.08 -1.26 -4.68 116.55 123.27 1uk1 n ASP 805 Ca 0.36 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.64 1uk1 n ASP 805 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 1uk1 n ASP 805 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1uk1 n ARG 806 N 0.00 0.00 -0.17 -0.67 0.00 -1.26 -1.96 116.66 112.60 1uk1 n ARG 806 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 1uk1 n ARG 806 Cb 0.00 -1.36 0.03 0.00 -0.00 0.00 0.00 32.46 31.13 1uk1 n ARG 806 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1uk1 n ASP 807 N -0.57 0.82 -4.85 2.89 5.75 -1.26 -4.94 116.55 114.38 1uk1 n ASP 807 Ca 0.00 -1.89 -0.32 0.00 -0.01 0.00 0.00 54.79 52.57 1uk1 n ASP 807 Cb 0.00 -0.14 -0.02 0.00 -1.03 0.00 0.00 41.12 39.93 1uk1 n ASP 807 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1uk1 s SER 808 N -1.04 6.47 0.18 -1.12 1.04 -0.83 -4.79 113.70 113.60 1uk1 s SER 808 Ca 0.06 1.49 -0.15 0.00 0.48 0.00 0.00 55.95 57.83 1uk1 s SER 808 Cb 0.05 -2.48 0.15 0.00 0.10 0.00 0.00 66.02 63.84 1uk1 s SER 808 CO 0.01 -0.68 1.70 -0.08 0.98 0.00 0.00 173.24 175.16 1uk1 h GLU 809 N 0.47 0.13 -0.62 4.02 4.81 -1.98 0.32 114.58 121.73 1uk1 h GLU 809 Ca -0.46 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 58.88 1uk1 h GLU 809 Cb 1.19 -0.03 -0.12 0.00 0.63 0.00 0.00 28.75 30.42 1uk1 h GLU 809 CO 0.62 0.09 -0.27 1.05 -0.73 0.00 0.00 179.01 179.77 1uk1 h GLU 810 N 0.14 -0.10 0.00 1.92 4.11 -1.97 0.65 114.58 119.33 1uk1 h GLU 810 Ca 0.22 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.66 1uk1 h GLU 810 Cb 0.32 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1uk1 h GLU 810 CO -0.35 -0.07 0.00 0.00 0.07 0.00 0.00 179.01 178.67 1uk1 n ALA 811 N -3.14 1.45 0.09 1.06 0.00 0.60 -0.91 120.51 119.67 1uk1 n ALA 811 Ca 0.06 0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.57 1uk1 n ALA 811 Cb 0.35 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 1uk1 n ALA 811 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1uk1 h GLU 812 N 0.00 -0.26 -1.01 0.00 4.39 0.35 -2.84 114.58 115.21 1uk1 h GLU 812 Ca 0.00 0.02 0.23 0.00 0.34 0.00 0.00 59.36 59.95 1uk1 h GLU 812 Cb 0.24 0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 28.83 1uk1 h GLU 812 CO 0.00 -0.17 0.61 0.82 -1.16 0.00 0.00 179.01 179.11 1uk1 h ILE 813 N -0.51 0.60 -0.33 3.13 2.04 -0.01 -0.84 117.51 121.58 1uk1 h ILE 813 Ca -0.03 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1uk1 h ILE 813 Cb 0.20 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 1uk1 h ILE 813 CO 0.04 0.11 0.12 0.40 0.00 0.00 0.00 178.15 178.83 1uk1 h ILE 814 N 0.62 1.19 -0.52 -0.67 2.04 -1.16 0.13 117.51 119.14 1uk1 h ILE 814 Ca 0.61 -0.61 0.13 0.00 1.00 0.00 0.00 64.86 65.99 1uk1 h ILE 814 Cb 1.15 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 1uk1 h ILE 814 CO -0.41 0.21 0.37 0.03 0.00 0.00 0.00 178.15 178.35 1uk1 h ARG 815 N 0.39 0.11 -0.14 2.37 3.08 -0.96 0.11 114.38 119.33 1uk1 h ARG 815 Ca 0.11 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1uk1 h ARG 815 Cb 0.21 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1uk1 h ARG 815 CO -0.01 0.07 0.03 0.87 -1.07 0.00 0.00 179.97 179.86 1uk1 h LYS 816 N 0.11 0.24 -0.16 0.04 1.79 0.47 0.82 116.57 119.88 1uk1 h LYS 816 Ca 0.25 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.69 1uk1 h LYS 816 Cb 0.83 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.38 1uk1 h LYS 816 CO -0.03 0.41 -0.52 -0.92 -1.08 0.00 0.00 179.45 177.32 1uk1 h TYR 817 N 0.02 -1.53 -0.52 -1.35 3.20 -0.81 -1.22 116.97 114.77 1uk1 h TYR 817 Ca 0.04 0.06 0.07 0.00 3.14 0.00 0.00 58.73 62.05 1uk1 h TYR 817 Cb 0.29 0.69 -0.06 0.00 1.54 0.00 0.00 36.73 39.19 1uk1 h TYR 817 CO 0.01 -0.53 0.19 0.28 -1.64 0.00 0.00 178.16 176.47 1uk1 h VAL 818 N -0.55 0.82 0.00 1.81 2.07 -0.68 -2.83 116.25 116.89 1uk1 h VAL 818 Ca 0.05 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1uk1 h VAL 818 Cb 0.67 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1uk1 h VAL 818 CO -0.44 0.07 0.00 0.29 0.02 0.00 0.00 177.57 177.50 1uk1 n LYS 819 N -5.00 0.00 0.00 1.57 4.01 0.27 -4.10 118.16 114.91 1uk1 n LYS 819 Ca 0.06 0.16 0.09 0.00 -0.51 0.00 0.00 58.31 58.10 1uk1 n LYS 819 Cb 0.21 -1.09 0.43 0.00 -0.51 0.00 0.00 35.03 34.07 1uk1 n LYS 819 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1uk1 n ASN 820 N -0.85 0.00 -1.93 4.39 2.04 -0.47 -1.68 115.26 116.76 1uk1 n ASN 820 Ca 0.00 0.19 -0.09 0.00 -0.44 0.00 0.00 54.58 54.24 1uk1 n ASN 820 Cb 0.00 -0.36 0.25 0.00 -2.53 0.00 0.00 39.78 37.14 1uk1 n ASN 820 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 1uk1 n THR 821 N -1.36 2.73 -1.91 5.53 -2.24 -1.07 -3.08 114.28 112.88 1uk1 n THR 821 Ca 0.07 -1.49 -0.41 0.00 -2.27 0.00 0.00 64.05 59.96 1uk1 n THR 821 Cb 0.17 -0.43 -0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1uk1 n THR 821 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1uk1 s HIS 822 N -2.75 2.71 0.08 4.78 3.76 -0.68 -0.14 115.29 123.06 1uk1 s HIS 822 Ca 0.49 1.27 0.03 0.00 -0.15 0.00 0.00 55.06 56.70 1uk1 s HIS 822 Cb 0.40 -3.89 -0.04 0.00 1.11 0.00 0.00 32.58 30.17 1uk1 s HIS 822 CO 0.12 -2.60 -0.08 0.00 -0.85 0.00 0.00 174.74 171.32 1uk1 s ALA 823 N -1.15 0.92 0.17 -1.40 0.00 -1.26 -4.73 121.76 114.31 1uk1 s ALA 823 Ca 0.53 -1.15 -0.22 0.00 0.00 0.00 0.00 51.96 51.12 1uk1 s ALA 823 Cb -0.44 0.09 0.08 0.00 0.00 0.00 0.00 23.12 22.85 1uk1 s ALA 823 CO 0.58 -0.11 1.59 1.79 0.00 0.00 0.00 175.76 179.61 1uk1 h THR 824 N 3.55 0.21 0.00 0.00 1.35 -1.98 -2.67 112.91 113.37 1uk1 h THR 824 Ca -0.36 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1uk1 h THR 824 Cb 1.18 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1uk1 h THR 824 CO 0.55 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.17 1uk1 n THR 825 N -5.42 0.67 -2.63 6.82 -2.24 -1.26 -0.23 114.28 109.98 1uk1 n THR 825 Ca 0.02 -0.01 -0.03 0.00 -2.27 0.00 0.00 64.05 61.76 1uk1 n THR 825 Cb 0.34 -0.84 0.02 0.00 -2.10 0.00 0.00 70.33 67.75 1uk1 n THR 825 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uk1 n HIS 826 N 0.69 -0.70 -3.40 4.78 -0.00 -1.13 -5.06 115.22 110.40 1uk1 n HIS 826 Ca 0.00 -0.81 -0.44 0.00 -0.00 0.00 0.00 57.72 56.47 1uk1 n HIS 826 Cb 0.33 1.15 -0.05 0.00 -0.00 0.00 0.00 29.99 31.41 1uk1 n HIS 826 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 1uk1 s ASN 827 N -0.35 6.19 -0.41 4.39 0.02 0.68 -4.71 114.94 120.75 1uk1 s ASN 827 Ca 0.05 -2.17 0.03 0.00 -1.02 0.00 0.00 52.86 49.76 1uk1 s ASN 827 Cb 0.12 -2.14 0.16 0.00 0.02 0.00 0.00 41.25 39.41 1uk1 s ASN 827 CO -0.03 -0.70 0.32 0.00 0.02 0.00 0.00 177.10 176.71 1uk1 s ALA 828 N 0.99 1.38 0.00 0.60 0.00 -1.26 -4.99 121.76 118.49 1uk1 s ALA 828 Ca 0.09 -2.38 0.00 0.00 0.00 0.00 0.00 51.96 49.67 1uk1 s ALA 828 Cb -0.22 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1uk1 s ALA 828 CO -0.02 -2.00 0.00 2.48 0.00 0.00 0.00 175.76 176.22 1uk1 n TYR 829 N 3.05 0.00 -4.26 0.00 -0.00 -1.25 -4.70 117.16 110.00 1uk1 n TYR 829 Ca 0.26 0.00 -0.27 0.00 -0.00 0.00 0.00 57.90 57.90 1uk1 n TYR 829 Cb 0.45 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.71 1uk1 n TYR 829 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1uk1 s ASP 830 N 0.00 4.44 0.54 9.48 1.11 -1.09 -4.87 116.67 126.27 1uk1 s ASP 830 Ca 0.00 -0.52 0.08 0.00 0.18 0.00 0.00 52.55 52.29 1uk1 s ASP 830 Cb 0.00 -0.82 0.06 0.00 1.07 0.00 0.00 42.92 43.22 1uk1 s ASP 830 CO 0.00 0.09 0.63 -0.76 1.18 0.00 0.00 175.17 176.32 1uk1 s LEU 831 N -2.90 3.08 -0.26 1.23 1.02 -1.26 -1.35 118.68 118.23 1uk1 s LEU 831 Ca 0.26 -0.90 -0.25 0.00 0.02 0.00 0.00 54.13 53.26 1uk1 s LEU 831 Cb -0.09 -1.66 0.09 0.00 0.02 0.00 0.00 46.19 44.55 1uk1 s LEU 831 CO 0.16 -1.16 0.85 -1.61 0.02 0.00 0.00 176.35 174.61 1uk1 s GLU 832 N -4.49 0.71 -0.26 1.70 2.02 -0.73 -4.89 118.70 112.77 1uk1 s GLU 832 Ca 0.53 0.79 -0.07 0.00 0.02 0.00 0.00 54.97 56.24 1uk1 s GLU 832 Cb -0.05 0.35 -0.02 0.00 0.10 0.00 0.00 34.13 34.50 1uk1 s GLU 832 CO 0.33 -0.10 0.07 0.08 0.02 0.00 0.00 175.26 175.66 1uk1 s VAL 833 N 0.22 4.21 -0.13 2.63 1.01 -1.26 -0.07 120.40 127.02 1uk1 s VAL 833 Ca 0.01 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1uk1 s VAL 833 Cb -0.05 -3.00 -0.09 0.00 0.00 0.00 0.00 36.38 33.24 1uk1 s VAL 833 CO -0.01 0.30 -0.10 -0.38 0.00 0.00 0.00 175.10 174.91 1uk1 n ILE 834 N 4.91 0.77 -4.24 2.22 2.08 0.48 -4.98 119.36 120.59 1uk1 n ILE 834 Ca -0.16 -0.32 -0.20 0.00 0.56 0.00 0.00 62.75 62.63 1uk1 n ILE 834 Cb 0.51 -0.94 -0.12 0.00 -0.75 0.00 0.00 39.64 38.34 1uk1 n ILE 834 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 1uk1 s ASP 835 N -5.15 1.88 -0.20 4.38 -0.00 -1.16 -4.97 116.67 111.44 1uk1 s ASP 835 Ca -0.16 -0.60 0.02 0.00 -0.00 0.00 0.00 52.55 51.80 1uk1 s ASP 835 Cb 0.04 -0.08 0.03 0.00 -0.00 0.00 0.00 42.92 42.91 1uk1 s ASP 835 CO 0.33 -0.02 -0.16 -0.63 -0.00 0.00 0.00 175.17 174.68 1uk1 s ILE 836 N -1.16 2.04 0.08 0.77 1.01 -1.26 -0.38 121.20 122.29 1uk1 s ILE 836 Ca 0.01 -1.13 0.05 0.00 0.00 0.00 0.00 60.65 59.58 1uk1 s ILE 836 Cb -0.10 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1uk1 s ILE 836 CO 0.02 0.35 -0.04 -0.36 0.00 0.00 0.00 174.94 174.91 1uk1 s PHE 837 N 1.25 2.89 -0.13 3.97 0.08 0.47 0.33 117.98 126.84 1uk1 s PHE 837 Ca 0.01 -0.07 -0.02 0.00 0.12 0.00 0.00 56.93 56.96 1uk1 s PHE 837 Cb -0.15 -1.51 -0.03 0.00 -0.57 0.00 0.00 43.02 40.76 1uk1 s PHE 837 CO -0.10 0.45 -0.04 -1.59 -0.10 0.00 0.00 175.22 173.83 1uk1 s LYS 838 N -2.15 3.38 -0.14 0.44 0.00 -0.41 -2.55 119.74 118.29 1uk1 s LYS 838 Ca 0.23 -0.52 0.00 0.00 0.00 0.00 0.00 55.97 55.68 1uk1 s LYS 838 Cb -0.11 -2.82 0.03 0.00 0.00 0.00 0.00 37.83 34.92 1uk1 s LYS 838 CO 0.15 0.39 -0.11 0.96 0.00 0.00 0.00 175.35 176.74 1uk1 s ILE 839 N -0.05 1.35 -0.55 3.79 -4.36 -0.14 -2.29 121.20 118.97 1uk1 s ILE 839 Ca 0.01 -0.56 -0.04 0.00 -0.26 0.00 0.00 60.65 59.80 1uk1 s ILE 839 Cb -0.13 -1.34 0.14 0.00 1.25 0.00 0.00 42.46 42.38 1uk1 s ILE 839 CO 0.03 0.37 0.37 -0.70 0.24 0.00 0.00 174.94 175.24 1uk1 s GLU 840 N 1.57 2.43 0.22 0.37 2.56 -1.24 -4.51 118.70 120.09 1uk1 s GLU 840 Ca 0.04 -2.20 -0.31 0.00 0.00 0.00 0.00 54.97 52.50 1uk1 s GLU 840 Cb -0.13 -3.75 -0.14 0.00 2.00 0.00 0.00 34.13 32.10 1uk1 s GLU 840 CO -0.09 -1.15 1.24 0.54 -0.56 0.00 0.00 175.26 175.23 1uk1 n ARG 841 N 4.06 1.56 -1.40 4.30 1.74 -1.26 -3.68 116.66 121.98 1uk1 n ARG 841 Ca 0.03 0.56 -0.38 0.00 -0.77 0.00 0.00 57.85 57.29 1uk1 n ARG 841 Cb 0.40 -2.10 0.04 0.00 -1.02 0.00 0.00 32.46 29.78 1uk1 n ARG 841 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1uk1 n GLU 842 N 1.65 0.42 0.00 5.56 0.28 -0.76 -2.95 120.64 124.84 1uk1 n GLU 842 Ca 0.12 0.17 0.00 0.00 -0.16 0.00 0.00 57.16 57.30 1uk1 n GLU 842 Cb 0.29 -1.68 0.00 0.00 1.43 0.00 0.00 31.44 31.47 1uk1 n GLU 842 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1uk1 n GLY 843 N 1.82 0.51 0.26 -1.84 0.00 -1.26 -4.74 105.19 99.95 1uk1 n GLY 843 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 1uk1 n GLY 843 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1uk1 h GLU 844 N 0.00 0.15 -0.23 1.61 4.81 -1.91 -2.82 114.58 116.19 1uk1 h GLU 844 Ca 0.00 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 1uk1 h GLU 844 Cb 0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1uk1 h GLU 844 CO 0.00 0.15 -0.47 0.00 -0.73 0.00 0.00 179.01 177.95 1uk1 n GLN 846 N -4.15 0.00 0.27 0.00 1.13 -1.08 -2.81 117.38 110.74 1uk1 n GLN 846 Ca -0.05 0.79 0.18 0.00 -1.94 0.00 0.00 57.00 55.98 1uk1 n GLN 846 Cb 0.58 -1.31 0.95 0.00 0.11 0.00 0.00 30.24 30.56 1uk1 n GLN 846 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 1uk1 h ARG 847 N 0.00 0.00 0.00 -1.09 0.11 -1.27 0.15 114.38 112.27 1uk1 h ARG 847 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1uk1 h ARG 847 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1uk1 h ARG 847 CO 0.00 0.00 0.00 -0.92 0.10 0.00 0.00 179.97 179.15 1uk1 h TYR 848 N 0.00 0.00 -0.25 4.08 3.20 -1.00 -3.41 116.97 119.59 1uk1 h TYR 848 Ca 0.00 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.73 1uk1 h TYR 848 Cb 0.05 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1uk1 h TYR 848 CO 0.00 0.00 -0.41 1.57 -1.64 0.00 0.00 178.16 177.68 1uk1 h LYS 849 N 0.00 0.59 -0.99 1.82 2.10 -0.79 -0.49 116.57 118.81 1uk1 h LYS 849 Ca 0.00 -0.31 0.36 0.00 -2.00 0.00 0.00 60.65 58.70 1uk1 h LYS 849 Cb 0.54 0.01 -0.17 0.00 -0.90 0.00 0.00 32.23 31.71 1uk1 h LYS 849 CO 0.00 0.90 0.44 -1.35 -2.00 0.00 0.00 179.45 177.44 1uk1 h PRO 850 N 0.48 0.09 -0.00 0.07 0.11 -1.81 -0.18 132.00 130.76 1uk1 h PRO 850 Ca 0.04 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1uk1 h PRO 850 Cb 0.92 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1uk1 h PRO 850 CO 0.08 0.06 -0.09 1.19 -0.21 0.00 0.00 178.00 179.03 1uk1 n PHE 851 N -5.25 0.00 0.20 0.65 3.72 -0.23 -2.13 117.46 114.42 1uk1 n PHE 851 Ca 0.33 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.77 1uk1 n PHE 851 Cb 1.09 -0.28 0.46 0.00 -0.94 0.00 0.00 39.48 39.82 1uk1 n PHE 851 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1uk1 h LYS 852 N 0.24 0.03 0.00 -1.08 3.11 -0.61 -3.05 116.57 115.21 1uk1 h LYS 852 Ca 0.00 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1uk1 h LYS 852 Cb 0.37 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.60 1uk1 h LYS 852 CO 0.00 0.24 0.00 1.04 -2.81 0.00 0.00 179.45 177.92 1uk1 n GLN 853 N -4.28 0.68 -4.37 1.90 1.13 -0.91 -4.78 117.38 106.75 1uk1 n GLN 853 Ca -0.02 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.79 1uk1 n GLN 853 Cb 0.27 -1.23 -0.09 0.00 0.11 0.00 0.00 30.24 29.30 1uk1 n GLN 853 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1uk1 s LEU 854 N -1.46 2.82 0.00 1.08 0.05 -1.15 -5.08 118.68 114.93 1uk1 s LEU 854 Ca 0.15 -0.78 0.00 0.00 0.05 0.00 0.00 54.13 53.55 1uk1 s LEU 854 Cb 0.07 -1.42 0.00 0.00 -2.05 0.00 0.00 46.19 42.79 1uk1 s LEU 854 CO 0.12 0.06 0.00 1.57 -0.55 0.00 0.00 176.35 177.55 1uk1 n HIS 855 N -0.37 0.00 -1.67 3.48 -0.00 -1.26 -4.76 115.22 110.63 1uk1 n HIS 855 Ca -0.08 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.20 1uk1 n HIS 855 Cb 0.58 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.53 1uk1 n HIS 855 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1uk1 n ASN 856 N 0.25 3.98 -0.34 0.26 0.23 -1.26 -1.41 115.26 116.96 1uk1 n ASN 856 Ca 0.00 0.95 0.00 0.00 -0.53 0.00 0.00 54.58 55.00 1uk1 n ASN 856 Cb 0.00 -1.50 0.00 0.00 -2.08 0.00 0.00 39.78 36.20 1uk1 n ASN 856 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1uk1 n ARG 857 N 6.66 0.00 -4.29 -3.83 0.63 -1.26 -3.95 116.66 110.62 1uk1 n ARG 857 Ca 0.20 0.11 -0.16 0.00 -0.92 0.00 0.00 57.85 57.08 1uk1 n ARG 857 Cb 0.37 -0.23 -0.10 0.00 0.45 0.00 0.00 32.46 32.95 1uk1 n ARG 857 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1uk1 s ARG 858 N -0.10 1.21 -0.31 -0.14 0.52 -1.00 -1.47 118.95 117.66 1uk1 s ARG 858 Ca 0.00 -1.57 -0.15 0.00 -0.52 0.00 0.00 55.73 53.50 1uk1 s ARG 858 Cb 0.00 -0.66 -0.02 0.00 0.52 0.00 0.00 34.95 34.78 1uk1 s ARG 858 CO 0.00 0.01 0.35 -1.17 0.02 0.00 0.00 175.30 174.51 1uk1 s LEU 859 N -3.24 4.25 0.05 2.53 2.96 0.81 -1.25 118.68 124.80 1uk1 s LEU 859 Ca 0.22 -0.02 0.06 0.00 -0.22 0.00 0.00 54.13 54.17 1uk1 s LEU 859 Cb 0.04 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 1uk1 s LEU 859 CO 0.05 -0.26 -0.18 -0.76 -1.32 0.00 0.00 176.35 173.88 1uk1 s LEU 860 N 2.02 2.20 0.27 -0.68 1.43 -0.56 -4.46 118.68 118.91 1uk1 s LEU 860 Ca 0.13 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.40 1uk1 s LEU 860 Cb -0.16 -0.77 -0.09 0.00 0.03 0.00 0.00 46.19 45.19 1uk1 s LEU 860 CO 0.11 0.07 1.02 0.26 0.23 0.00 0.00 176.35 178.05 1uk1 s TRP 861 N -0.92 3.74 -0.24 0.29 0.52 0.93 -1.74 118.94 121.52 1uk1 s TRP 861 Ca 0.04 1.79 0.01 0.00 0.02 0.00 0.00 56.10 57.97 1uk1 s TRP 861 Cb -0.09 -3.13 0.06 0.00 -1.15 0.00 0.00 33.47 29.16 1uk1 s TRP 861 CO 0.02 -0.10 -0.06 -1.58 0.02 0.00 0.00 176.95 175.25 1uk1 s HIS 862 N -1.22 2.62 0.26 -1.98 2.46 -0.55 -0.36 115.29 116.52 1uk1 s HIS 862 Ca 0.44 -1.92 -0.18 0.00 0.47 0.00 0.00 55.06 53.87 1uk1 s HIS 862 Cb -0.28 -1.70 -0.09 0.00 -0.13 0.00 0.00 32.58 30.38 1uk1 s HIS 862 CO 0.36 -0.81 0.73 0.20 -2.47 0.00 0.00 174.74 172.75 1uk1 s GLY 863 N 1.32 2.51 0.25 1.59 0.00 -1.12 -2.94 107.32 108.93 1uk1 s GLY 863 Ca -0.06 0.12 -0.18 0.00 0.00 0.00 0.00 44.72 44.60 1uk1 s GLY 863 CO -0.06 0.43 0.61 -0.45 0.00 0.00 0.00 173.10 173.62 1uk1 s SER 864 N -1.88 -0.23 0.12 1.64 0.15 -1.17 -4.51 113.70 107.82 1uk1 s SER 864 Ca 0.47 -0.64 -0.28 0.00 0.70 0.00 0.00 55.95 56.20 1uk1 s SER 864 Cb -0.14 0.65 -0.06 0.00 -1.71 0.00 0.00 66.02 64.76 1uk1 s SER 864 CO 0.20 -1.21 0.90 -0.13 1.20 0.00 0.00 173.24 174.19 1uk1 s ARG 865 N -3.93 4.67 0.39 5.44 0.52 -0.86 -3.61 118.95 121.56 1uk1 s ARG 865 Ca 0.13 1.35 0.17 0.00 -0.52 0.00 0.00 55.73 56.85 1uk1 s ARG 865 Cb -0.03 -3.35 1.05 0.00 0.52 0.00 0.00 34.95 33.14 1uk1 s ARG 865 CO 0.05 0.32 1.78 1.15 0.02 0.00 0.00 175.30 178.61 1uk1 h THR 866 N 3.83 0.56 -0.20 0.02 2.02 -1.92 0.12 112.91 117.34 1uk1 h THR 866 Ca -0.44 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 66.65 1uk1 h THR 866 Cb 1.21 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1uk1 h THR 866 CO 0.70 0.08 0.16 0.71 0.37 0.00 0.00 175.52 177.55 1uk1 h THR 867 N 0.44 0.76 -0.08 3.16 1.35 -1.93 -2.33 112.91 114.28 1uk1 h THR 867 Ca 0.58 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 66.38 1uk1 h THR 867 Cb 1.39 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1uk1 h THR 867 CO -0.30 0.00 -0.19 0.78 -0.25 0.00 0.00 175.52 175.56 1uk1 h ASN 868 N 0.00 0.30 -1.24 5.36 2.35 -1.07 -3.34 115.58 117.95 1uk1 h ASN 868 Ca 0.10 -0.58 0.36 0.00 -0.55 0.00 0.00 56.30 55.62 1uk1 h ASN 868 Cb 0.42 -0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.64 1uk1 h ASN 868 CO -0.00 0.83 0.88 -0.26 -1.65 0.00 0.00 177.43 177.23 1uk1 h PHE 869 N -0.21 0.08 -0.40 1.19 -1.00 -1.01 0.83 116.94 116.41 1uk1 h PHE 869 Ca -0.00 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.82 1uk1 h PHE 869 Cb 0.79 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 40.28 1uk1 h PHE 869 CO 0.12 -0.00 -0.24 0.00 -1.61 0.00 0.00 178.31 176.58 1uk1 h ALA 870 N 1.40 -0.23 -0.03 2.45 0.00 -1.72 -2.19 119.26 118.95 1uk1 h ALA 870 Ca 0.60 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.45 1uk1 h ALA 870 Cb 2.33 1.15 -0.01 0.00 0.00 0.00 0.00 17.79 21.25 1uk1 h ALA 870 CO -0.05 -0.40 -0.53 0.78 0.00 0.00 0.00 179.25 179.06 1uk1 h GLY 871 N -0.00 0.09 0.48 0.00 0.00 -1.09 -2.87 103.07 99.68 1uk1 h GLY 871 Ca 0.06 -0.10 0.10 0.00 0.00 0.00 0.00 47.33 47.40 1uk1 h GLY 871 CO -0.38 0.09 0.49 -2.22 0.00 0.00 0.00 176.54 174.52 1uk1 h ILE 872 N 0.06 0.89 0.00 2.60 2.04 -1.27 0.60 117.51 122.43 1uk1 h ILE 872 Ca -0.00 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 1uk1 h ILE 872 Cb 0.95 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1uk1 h ILE 872 CO 0.07 0.14 -0.33 -0.07 0.00 0.00 0.00 178.15 177.97 1uk1 h LEU 873 N 0.79 0.00 -1.43 1.44 3.38 -1.23 0.45 115.31 118.72 1uk1 h LEU 873 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1uk1 h LEU 873 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1uk1 h LEU 873 CO -0.26 0.33 -0.13 -1.54 0.09 0.00 0.00 178.44 176.93 1uk1 n SER 874 N -4.10 2.24 -0.04 -0.43 3.41 -0.84 -4.18 113.62 109.68 1uk1 n SER 874 Ca -0.02 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 1uk1 n SER 874 Cb 0.38 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1uk1 n SER 874 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uk1 n GLN 875 N 0.63 0.00 -0.14 4.33 10.64 0.14 -4.74 117.38 128.24 1uk1 n GLN 875 Ca 0.09 -0.32 0.01 0.00 -1.83 0.00 0.00 57.00 54.96 1uk1 n GLN 875 Cb 0.43 -0.30 -0.01 0.00 -0.86 0.00 0.00 30.24 29.50 1uk1 n GLN 875 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1uk1 n GLY 876 N 0.00 -2.73 3.52 2.61 0.00 0.16 -4.45 105.19 104.30 1uk1 n GLY 876 Ca 0.00 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 1uk1 n GLY 876 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uk1 n LEU 877 N -2.12 0.63 -4.92 0.99 4.77 -1.26 -4.64 117.00 110.45 1uk1 n LEU 877 Ca -0.01 -0.39 -0.26 0.00 -0.03 0.00 0.00 56.01 55.33 1uk1 n LEU 877 Cb 0.06 -1.11 0.06 0.00 -2.33 0.00 0.00 43.42 40.11 1uk1 n LEU 877 CO 0.00 -1.36 0.61 -0.13 -1.33 0.00 0.00 177.39 175.19 1uk1 s ARG 878 N 8.38 2.35 0.51 3.23 0.52 -1.26 -4.98 118.95 127.69 1uk1 s ARG 878 Ca 1.20 -0.17 -0.22 0.00 -0.52 0.00 0.00 55.73 56.02 1uk1 s ARG 878 Cb -0.74 -2.17 -0.06 0.00 0.52 0.00 0.00 34.95 32.50 1uk1 s ARG 878 CO 0.39 -1.15 1.26 0.96 0.02 0.00 0.00 175.30 176.78 1uk1 s ILE 879 N -3.22 2.59 0.45 1.52 -5.25 -1.26 -4.74 121.20 111.29 1uk1 s ILE 879 Ca 0.59 0.44 -0.22 0.00 -0.99 0.00 0.00 60.65 60.47 1uk1 s ILE 879 Cb -0.11 -3.22 -0.09 0.00 2.95 0.00 0.00 42.46 42.00 1uk1 s ILE 879 CO 0.45 -0.01 1.03 0.00 -1.79 0.00 0.00 174.94 174.63 1uk1 s ALA 880 N -1.44 2.97 0.72 2.27 0.00 -1.26 -5.01 121.76 120.01 1uk1 s ALA 880 Ca 0.68 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 53.16 1uk1 s ALA 880 Cb -0.34 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.55 1uk1 s ALA 880 CO 0.41 -0.24 1.08 -1.25 0.00 0.00 0.00 175.76 175.76 1uk1 s PRO 881 N -2.94 2.64 0.00 0.00 0.04 -1.26 -4.86 135.00 128.62 1uk1 s PRO 881 Ca 0.63 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1uk1 s PRO 881 Cb -0.18 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1uk1 s PRO 881 CO 0.22 -1.34 0.96 -2.30 0.04 0.00 0.00 177.00 174.59 1uk1 n PRO 882 N -3.20 0.00 0.00 0.56 -0.02 -1.26 -0.92 135.00 130.16 1uk1 n PRO 882 Ca 0.08 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1uk1 n PRO 882 Cb 0.53 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 1uk1 n PRO 882 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1uk1 n GLU 883 N -2.78 0.00 -1.68 -0.52 4.71 -1.26 -4.73 120.64 114.38 1uk1 n GLU 883 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.75 1uk1 n GLU 883 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 31.44 30.46 1uk1 n GLU 883 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1uk1 n ALA 884 N -0.53 0.93 -2.51 0.62 0.00 -0.10 -2.77 120.51 116.15 1uk1 n ALA 884 Ca 0.00 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 1uk1 n ALA 884 Cb 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.19 1uk1 n ALA 884 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1uk1 s PRO 885 N -2.50 4.53 0.54 0.00 0.04 -1.26 -4.86 135.00 131.48 1uk1 s PRO 885 Ca 0.68 1.57 0.25 0.00 0.04 0.00 0.00 61.00 63.54 1uk1 s PRO 885 Cb -0.47 -3.40 1.39 0.00 0.04 0.00 0.00 34.50 32.06 1uk1 s PRO 885 CO 0.53 -0.08 1.75 0.28 0.04 0.00 0.00 177.00 179.52 1uk1 h VAL 886 N 4.53 0.00 0.00 -0.36 2.07 -1.91 0.43 116.25 121.01 1uk1 h VAL 886 Ca -0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1uk1 h VAL 886 Cb 1.22 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1uk1 h VAL 886 CO 0.77 0.00 -0.24 0.41 0.02 0.00 0.00 177.57 178.53 1uk1 n THR 887 N -2.60 0.07 -0.47 2.57 -1.04 -1.26 -4.01 114.28 107.53 1uk1 n THR 887 Ca -0.02 -0.04 -0.15 0.00 -2.04 0.00 0.00 64.05 61.80 1uk1 n THR 887 Cb 0.31 -0.19 0.09 0.00 -1.82 0.00 0.00 70.33 68.71 1uk1 n THR 887 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uk1 n GLY 888 N 1.48 3.71 3.49 3.41 0.00 0.14 -4.75 105.19 112.67 1uk1 n GLY 888 Ca 0.06 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1uk1 n GLY 888 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uk1 s TYR 889 N -1.97 -0.86 0.50 1.61 1.51 -1.26 -4.78 117.35 112.09 1uk1 s TYR 889 Ca 0.34 1.52 0.37 0.00 -1.01 0.00 0.00 57.07 58.28 1uk1 s TYR 889 Cb 0.28 0.52 1.52 0.00 -0.11 0.00 0.00 41.96 44.17 1uk1 s TYR 889 CO 0.04 -0.43 1.67 1.98 -1.11 0.00 0.00 175.55 177.71 1uk1 h MET 890 N 7.52 0.07 -0.02 -0.62 1.85 -1.88 -2.08 114.93 119.77 1uk1 h MET 890 Ca -0.17 -0.00 -0.18 0.00 -0.61 0.00 0.00 59.70 58.73 1uk1 h MET 890 Cb 1.12 -0.02 -0.35 0.00 0.43 0.00 0.00 31.60 32.78 1uk1 h MET 890 CO 0.10 0.04 -0.94 1.19 -0.40 0.00 0.00 176.91 176.90 1uk1 n PHE 891 N -4.32 0.05 -3.94 1.39 3.72 -1.24 -0.51 117.46 112.62 1uk1 n PHE 891 Ca 0.35 -0.61 0.01 0.00 -0.05 0.00 0.00 57.45 57.15 1uk1 n PHE 891 Cb 1.50 -0.05 -0.00 0.00 -0.94 0.00 0.00 39.48 39.99 1uk1 n PHE 891 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uk1 n GLY 892 N 0.35 -1.80 2.82 1.37 0.00 -0.78 -4.42 105.19 102.72 1uk1 n GLY 892 Ca 0.01 -1.31 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 1uk1 n GLY 892 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uk1 s LYS 893 N -0.13 1.11 0.00 1.61 0.00 -1.24 -4.80 119.74 116.30 1uk1 s LYS 893 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 55.97 54.39 1uk1 s LYS 893 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 37.83 35.37 1uk1 s LYS 893 CO 0.00 -1.02 0.00 0.41 0.00 0.00 0.00 175.35 174.74 1uk1 n GLY 894 N 4.31 -2.28 3.62 0.59 0.00 -1.24 -4.66 105.19 105.54 1uk1 n GLY 894 Ca 0.02 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 1uk1 n GLY 894 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uk1 s ILE 895 N 0.00 5.29 -0.23 -0.61 1.01 -0.60 -4.66 121.20 121.39 1uk1 s ILE 895 Ca 0.00 0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.84 1uk1 s ILE 895 Cb 0.00 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 1uk1 s ILE 895 CO 0.00 0.26 0.15 -0.31 0.00 0.00 0.00 174.94 175.04 1uk1 s TYR 896 N 1.57 3.32 0.37 3.97 1.51 -1.26 -1.45 117.35 125.39 1uk1 s TYR 896 Ca 0.10 0.22 0.08 0.00 -1.01 0.00 0.00 57.07 56.46 1uk1 s TYR 896 Cb -0.15 -2.25 -0.06 0.00 -0.11 0.00 0.00 41.96 39.39 1uk1 s TYR 896 CO 0.09 0.09 0.04 -0.06 -1.11 0.00 0.00 175.55 174.60 1uk1 s PHE 897 N 0.94 2.54 0.31 2.71 0.40 0.11 -4.79 117.98 120.20 1uk1 s PHE 897 Ca 0.07 -0.53 0.05 0.00 -0.60 0.00 0.00 56.93 55.93 1uk1 s PHE 897 Cb -0.13 -1.66 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 1uk1 s PHE 897 CO 0.03 0.41 0.24 0.00 0.70 0.00 0.00 175.22 176.60 1uk1 s ALA 898 N -2.59 1.81 -0.26 5.36 0.00 0.51 -1.57 121.76 125.01 1uk1 s ALA 898 Ca 0.36 -1.94 0.12 0.00 0.00 0.00 0.00 51.96 50.49 1uk1 s ALA 898 Cb 0.03 1.41 0.54 0.00 0.00 0.00 0.00 23.12 25.10 1uk1 s ALA 898 CO 0.19 -0.62 1.50 -0.40 0.00 0.00 0.00 175.76 176.43 1uk1 n ASP 899 N -1.27 3.24 -4.29 0.00 5.75 -1.26 -0.05 116.55 118.67 1uk1 n ASP 899 Ca 0.05 -3.44 -0.30 0.00 -0.01 0.00 0.00 54.79 51.09 1uk1 n ASP 899 Cb 0.63 -0.62 -0.16 0.00 -1.03 0.00 0.00 41.12 39.94 1uk1 n ASP 899 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1uk1 s MET 900 N -3.08 2.09 0.12 0.11 -1.94 -1.26 -4.81 119.30 110.53 1uk1 s MET 900 Ca 0.45 -0.89 -0.11 0.00 -1.71 0.00 0.00 55.69 53.43 1uk1 s MET 900 Cb 0.39 -1.98 -0.11 0.00 2.01 0.00 0.00 34.83 35.14 1uk1 s MET 900 CO 0.05 0.51 1.34 -0.24 -0.01 0.00 0.00 175.02 176.67 1uk1 h VAL 901 N 4.59 1.29 0.19 -6.03 3.04 -0.83 -2.83 116.25 115.68 1uk1 h VAL 901 Ca -0.41 -1.96 0.01 0.00 -1.01 0.00 0.00 66.70 63.33 1uk1 h VAL 901 Cb 1.13 1.95 -0.03 0.00 -2.01 0.00 0.00 31.29 32.33 1uk1 h VAL 901 CO 0.47 0.62 -0.31 0.77 -1.01 0.00 0.00 177.57 178.11 1uk1 h SER 902 N 0.52 -0.87 -0.76 3.17 4.64 -1.91 -0.00 113.55 118.33 1uk1 h SER 902 Ca -0.04 0.09 0.15 0.00 -0.47 0.00 0.00 61.79 61.52 1uk1 h SER 902 Cb 1.36 0.32 -0.14 0.00 -0.31 0.00 0.00 62.40 63.63 1uk1 h SER 902 CO 0.15 -0.41 -0.19 0.50 -0.87 0.00 0.00 176.83 176.01 1uk1 h LYS 903 N -0.57 0.00 0.00 4.77 3.64 -1.85 0.44 116.57 123.00 1uk1 h LYS 903 Ca 0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1uk1 h LYS 903 Cb 0.57 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1uk1 h LYS 903 CO -0.14 0.00 0.00 0.77 -2.27 0.00 0.00 179.45 177.81 1uk1 h SER 904 N 0.00 0.00 1.58 4.20 0.02 -1.46 -3.19 113.55 114.70 1uk1 h SER 904 Ca 0.37 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.24 1uk1 h SER 904 Cb 0.56 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1uk1 h SER 904 CO -0.78 0.00 -0.42 0.00 -1.14 0.00 0.00 176.83 174.49 1uk1 h ALA 905 N 2.00 0.75 -0.68 3.77 0.00 0.18 -2.73 119.26 122.56 1uk1 h ALA 905 Ca 0.00 -0.35 0.14 0.00 0.00 0.00 0.00 54.91 54.71 1uk1 h ALA 905 Cb 0.67 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.30 1uk1 h ALA 905 CO 0.00 0.47 -0.05 -0.91 0.00 0.00 0.00 179.25 178.76 1uk1 h ASN 906 N 0.00 -0.41 0.00 0.00 2.35 -1.10 0.27 115.58 116.70 1uk1 h ASN 906 Ca -0.01 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1uk1 h ASN 906 Cb 1.29 0.34 0.00 0.00 0.05 0.00 0.00 38.32 40.00 1uk1 h ASN 906 CO 0.05 -0.17 0.01 -1.22 -1.65 0.00 0.00 177.43 174.45 1uk1 n TYR 907 N -5.36 0.00 -0.02 1.19 4.01 -1.04 -0.49 117.16 115.45 1uk1 n TYR 907 Ca 0.10 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.69 1uk1 n TYR 907 Cb 0.39 -0.06 -0.10 0.00 -0.31 0.00 0.00 39.34 39.26 1uk1 n TYR 907 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uk1 n HIS 909 N -4.38 -2.26 -2.52 0.00 8.25 0.36 -4.16 115.22 110.50 1uk1 n HIS 909 Ca -0.09 0.91 -0.38 0.00 -0.26 0.00 0.00 57.72 57.90 1uk1 n HIS 909 Cb 0.55 -4.45 -0.04 0.00 1.12 0.00 0.00 29.99 27.17 1uk1 n HIS 909 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1uk1 s THR 910 N -3.44 3.64 0.01 1.59 -4.23 -1.26 -5.04 115.64 106.91 1uk1 s THR 910 Ca 0.34 1.40 0.03 0.00 -1.18 0.00 0.00 61.69 62.28 1uk1 s THR 910 Cb -0.17 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.84 1uk1 s THR 910 CO 0.79 0.15 -0.03 -0.94 -0.54 0.00 0.00 174.62 174.06 1uk1 s SER 911 N -1.30 4.90 -1.23 3.99 1.04 -0.79 -4.88 113.70 115.43 1uk1 s SER 911 Ca 0.53 -0.09 -0.13 0.00 0.48 0.00 0.00 55.95 56.74 1uk1 s SER 911 Cb -0.26 -1.21 0.17 0.00 0.10 0.00 0.00 66.02 64.82 1uk1 s SER 911 CO 0.33 0.27 1.54 0.00 0.98 0.00 0.00 173.24 176.35 1uk1 n GLN 912 N 1.33 3.41 -4.01 4.02 6.02 -1.26 0.13 117.38 127.03 1uk1 n GLN 912 Ca -0.14 -3.76 -0.10 0.00 -0.01 0.00 0.00 57.00 52.99 1uk1 n GLN 912 Cb 0.52 -3.03 -0.07 0.00 1.02 0.00 0.00 30.24 28.68 1uk1 n GLN 912 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1uk1 s GLY 913 N 2.47 0.65 0.29 1.08 0.00 -1.26 -5.03 107.32 105.53 1uk1 s GLY 913 Ca 0.43 -1.02 -0.29 0.00 0.00 0.00 0.00 44.72 43.83 1uk1 s GLY 913 CO 0.01 -0.89 1.15 0.51 0.00 0.00 0.00 173.10 173.88 1uk1 s ASP 914 N -3.01 7.15 -0.09 1.64 1.47 -1.25 -5.08 116.67 117.49 1uk1 s ASP 914 Ca 0.22 2.37 -0.03 0.00 1.18 0.00 0.00 52.55 56.28 1uk1 s ASP 914 Cb 0.03 -2.63 -0.10 0.00 -0.34 0.00 0.00 42.92 39.88 1uk1 s ASP 914 CO 0.04 -0.24 2.87 -2.65 0.68 0.00 0.00 175.17 175.87 1uk1 n PRO 915 N 1.09 1.73 -2.93 2.11 -0.02 0.12 -1.89 135.00 135.22 1uk1 n PRO 915 Ca -0.01 -0.93 -0.44 0.00 -2.02 0.00 0.00 63.50 60.10 1uk1 n PRO 915 Cb 0.44 -1.68 -0.02 0.00 -0.02 0.00 0.00 33.50 32.22 1uk1 n PRO 915 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1uk1 s ILE 916 N -0.05 4.77 0.39 4.25 -1.09 -1.26 -2.30 121.20 125.91 1uk1 s ILE 916 Ca 0.42 -1.76 0.08 0.00 -2.23 0.00 0.00 60.65 57.16 1uk1 s ILE 916 Cb 0.22 -4.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.26 1uk1 s ILE 916 CO -0.03 -1.53 0.21 -0.83 -1.23 0.00 0.00 174.94 171.53 1uk1 s GLY 917 N 3.51 2.19 -0.06 6.18 0.00 -0.23 -4.97 107.32 113.93 1uk1 s GLY 917 Ca 0.35 -1.99 0.05 0.00 0.00 0.00 0.00 44.72 43.13 1uk1 s GLY 917 CO -0.08 -1.82 -0.22 1.08 0.00 0.00 0.00 173.10 172.06 1uk1 s LEU 918 N -3.94 2.00 -0.23 0.66 1.02 -1.26 -0.72 118.68 116.21 1uk1 s LEU 918 Ca 0.42 -0.47 -0.03 0.00 0.02 0.00 0.00 54.13 54.07 1uk1 s LEU 918 Cb 0.01 -1.24 0.12 0.00 0.02 0.00 0.00 46.19 45.10 1uk1 s LEU 918 CO 0.24 0.19 0.33 -0.51 0.02 0.00 0.00 176.35 176.61 1uk1 s ILE 919 N 0.06 -0.51 0.69 -0.59 2.07 -0.74 -3.85 121.20 118.32 1uk1 s ILE 919 Ca -0.08 -0.09 -0.17 0.00 -1.41 0.00 0.00 60.65 58.91 1uk1 s ILE 919 Cb -0.14 -0.77 -0.01 0.00 0.13 0.00 0.00 42.46 41.66 1uk1 s ILE 919 CO 0.04 -0.15 0.94 0.18 -1.91 0.00 0.00 174.94 174.04 1uk1 n LEU 920 N 5.35 3.44 -4.47 8.50 4.77 -1.15 -1.93 117.00 131.52 1uk1 n LEU 920 Ca -0.04 0.70 -0.34 0.00 -0.03 0.00 0.00 56.01 56.30 1uk1 n LEU 920 Cb 0.50 -1.39 -0.13 0.00 -2.33 0.00 0.00 43.42 40.07 1uk1 n LEU 920 CO 0.07 -2.05 -0.36 -0.76 -1.33 0.00 0.00 177.39 172.96 1uk1 s LEU 921 N -2.61 3.17 -0.05 2.23 1.43 -0.60 -1.48 118.68 120.78 1uk1 s LEU 921 Ca 0.74 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.70 1uk1 s LEU 921 Cb -0.37 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 1uk1 s LEU 921 CO 0.49 0.14 -0.15 -0.83 0.23 0.00 0.00 176.35 176.23 1uk1 s GLY 922 N 0.52 1.51 -0.20 -3.19 0.00 -0.71 -0.89 107.32 104.36 1uk1 s GLY 922 Ca -0.03 -0.98 -0.29 0.00 0.00 0.00 0.00 44.72 43.41 1uk1 s GLY 922 CO 0.03 -0.75 1.07 1.85 0.00 0.00 0.00 173.10 175.30 1uk1 s GLU 923 N -0.67 4.28 -0.12 2.90 2.12 -0.45 -1.49 118.70 125.27 1uk1 s GLU 923 Ca 0.10 1.41 0.02 0.00 0.36 0.00 0.00 54.97 56.86 1uk1 s GLU 923 Cb -0.11 -3.64 0.01 0.00 0.26 0.00 0.00 34.13 30.65 1uk1 s GLU 923 CO 0.01 -0.60 -0.16 0.54 -0.54 0.00 0.00 175.26 174.51 1uk1 s VAL 924 N 3.07 1.55 -1.15 3.70 0.11 -0.38 -1.23 120.40 126.08 1uk1 s VAL 924 Ca 0.46 -0.67 -0.23 0.00 -2.93 0.00 0.00 61.98 58.61 1uk1 s VAL 924 Cb -0.17 -1.42 -0.09 0.00 -1.53 0.00 0.00 36.38 33.17 1uk1 s VAL 924 CO 0.09 0.45 1.95 0.00 -3.33 0.00 0.00 175.10 174.26 1uk1 s ALA 925 N 1.02 1.70 0.17 1.54 0.00 -0.77 -2.36 121.76 123.07 1uk1 s ALA 925 Ca -0.05 -2.05 -0.12 0.00 0.00 0.00 0.00 51.96 49.73 1uk1 s ALA 925 Cb -0.15 -4.67 0.08 0.00 0.00 0.00 0.00 23.12 18.38 1uk1 s ALA 925 CO -0.03 -5.30 1.75 -0.07 0.00 0.00 0.00 175.76 172.11 1uk1 h LEU 926 N 18.07 0.78 0.00 0.00 3.38 -1.81 -3.46 115.31 132.27 1uk1 h LEU 926 Ca 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1uk1 h LEU 926 Cb 0.95 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1uk1 h LEU 926 CO 1.21 0.70 0.00 0.61 0.09 0.00 0.00 178.44 181.05 1uk1 n GLY 927 N -0.92 2.22 3.61 0.83 0.00 -0.50 -3.41 105.19 107.02 1uk1 n GLY 927 Ca 0.04 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1uk1 n GLY 927 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uk1 s ASN 928 N -4.00 6.64 -0.24 1.61 3.04 -1.26 -4.67 114.94 116.06 1uk1 s ASN 928 Ca 0.00 0.66 -0.11 0.00 0.04 0.00 0.00 52.86 53.44 1uk1 s ASN 928 Cb 0.00 -2.39 -0.05 0.00 -1.54 0.00 0.00 41.25 37.27 1uk1 s ASN 928 CO 0.00 -0.57 0.20 0.00 -3.04 0.00 0.00 177.10 173.68 1uk1 s MET 929 N 2.87 4.06 -0.45 0.43 0.23 -1.26 -0.54 119.30 124.64 1uk1 s MET 929 Ca 0.31 -0.22 -0.28 0.00 -1.03 0.00 0.00 55.69 54.47 1uk1 s MET 929 Cb -0.14 -3.56 -0.01 0.00 -1.53 0.00 0.00 34.83 29.59 1uk1 s MET 929 CO 0.12 0.01 1.71 -0.47 -2.03 0.00 0.00 175.02 174.35 1uk1 s TYR 930 N 1.21 1.91 -0.98 3.16 5.04 0.99 -4.74 117.35 123.94 1uk1 s TYR 930 Ca 0.09 0.67 -0.19 0.00 -2.44 0.00 0.00 57.07 55.20 1uk1 s TYR 930 Cb -0.14 -4.18 0.12 0.00 0.35 0.00 0.00 41.96 38.12 1uk1 s TYR 930 CO 0.06 -2.49 1.22 -1.21 -1.34 0.00 0.00 175.55 171.79 1uk1 s GLU 931 N 5.94 3.67 0.10 4.97 2.02 -1.26 -0.57 118.70 133.56 1uk1 s GLU 931 Ca 0.70 -1.79 -0.21 0.00 0.02 0.00 0.00 54.97 53.69 1uk1 s GLU 931 Cb -0.17 -5.00 -0.07 0.00 0.10 0.00 0.00 34.13 28.99 1uk1 s GLU 931 CO 0.29 -1.83 0.63 -0.51 0.02 0.00 0.00 175.26 173.85 1uk1 s LEU 932 N 2.85 4.54 0.05 1.80 1.43 0.10 -4.86 118.68 124.59 1uk1 s LEU 932 Ca 0.36 1.37 0.24 0.00 -1.03 0.00 0.00 54.13 55.07 1uk1 s LEU 932 Cb -0.04 -3.02 0.24 0.00 0.03 0.00 0.00 46.19 43.39 1uk1 s LEU 932 CO -0.08 0.25 1.20 0.29 0.23 0.00 0.00 176.35 178.24 1uk1 n LYS 933 N 1.65 0.19 -3.94 1.70 5.02 -1.26 -1.34 118.16 120.18 1uk1 n LYS 933 Ca -0.09 0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.13 1uk1 n LYS 933 Cb 0.50 -1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 33.87 1uk1 n LYS 933 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1uk1 s HIS 934 N -3.12 0.33 0.58 2.13 3.76 -1.26 -0.11 115.29 117.60 1uk1 s HIS 934 Ca 0.07 -0.68 -0.18 0.00 -0.15 0.00 0.00 55.06 54.12 1uk1 s HIS 934 Cb 0.15 0.08 -0.12 0.00 1.11 0.00 0.00 32.58 33.80 1uk1 s HIS 934 CO 0.76 -0.83 0.13 0.00 -0.85 0.00 0.00 174.74 173.95 1uk1 n ALA 935 N -0.29 -2.37 -3.54 -1.40 0.00 -1.26 -5.02 120.51 106.63 1uk1 n ALA 935 Ca -0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 53.44 53.25 1uk1 n ALA 935 Cb 0.63 -1.59 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 1uk1 n ALA 935 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1uk1 s SER 936 N -1.11 -0.73 -0.49 0.00 0.01 0.34 -5.00 113.70 106.71 1uk1 s SER 936 Ca 0.61 1.12 -0.17 0.00 1.31 0.00 0.00 55.95 58.82 1uk1 s SER 936 Cb -0.45 1.83 0.07 0.00 0.21 0.00 0.00 66.02 67.69 1uk1 s SER 936 CO 0.62 -0.24 0.48 -1.00 0.41 0.00 0.00 173.24 173.51 1uk1 s HIS 937 N 2.76 3.18 0.17 2.43 3.76 -1.26 -3.18 115.29 123.15 1uk1 s HIS 937 Ca 0.02 -0.85 -0.04 0.00 -0.15 0.00 0.00 55.06 54.05 1uk1 s HIS 937 Cb -0.13 -3.36 -0.03 0.00 1.11 0.00 0.00 32.58 30.17 1uk1 s HIS 937 CO -0.17 -0.90 0.16 0.42 -0.85 0.00 0.00 174.74 173.40 1uk1 s ILE 938 N 1.96 0.05 0.00 0.60 1.01 -1.26 -4.94 121.20 118.63 1uk1 s ILE 938 Ca 0.07 -1.79 0.00 0.00 0.00 0.00 0.00 60.65 58.93 1uk1 s ILE 938 Cb -0.23 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.07 1uk1 s ILE 938 CO 0.08 -0.25 0.00 -1.54 0.00 0.00 0.00 174.94 173.23 1uk1 n SER 939 N -0.20 0.00 -4.15 3.58 3.41 -1.26 -3.61 113.62 111.39 1uk1 n SER 939 Ca -0.03 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.20 1uk1 n SER 939 Cb 0.64 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.50 1uk1 n SER 939 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1uk1 s LYS 940 N -1.00 2.45 0.12 4.33 2.20 -1.26 -4.95 119.74 121.63 1uk1 s LYS 940 Ca 0.00 -2.12 -0.21 0.00 -0.36 0.00 0.00 55.97 53.28 1uk1 s LYS 940 Cb 0.00 -3.79 -0.13 0.00 -1.51 0.00 0.00 37.83 32.41 1uk1 s LYS 940 CO 0.00 -1.16 0.43 -0.11 -0.36 0.00 0.00 175.35 174.16 1uk1 n LEU 941 N 4.21 -0.77 -4.75 5.43 7.94 -1.26 -5.00 117.00 122.81 1uk1 n LEU 941 Ca 0.01 0.82 -0.40 0.00 -1.11 0.00 0.00 56.01 55.33 1uk1 n LEU 941 Cb 0.40 -0.68 -0.05 0.00 0.53 0.00 0.00 43.42 43.62 1uk1 n LEU 941 CO 0.36 -2.04 0.75 -2.16 -1.11 0.00 0.00 177.39 173.19 1uk1 s PRO 942 N -0.61 4.70 0.00 1.96 0.04 -1.26 -4.95 135.00 134.87 1uk1 s PRO 942 Ca 0.49 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1uk1 s PRO 942 Cb -0.71 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1uk1 s PRO 942 CO 0.40 0.28 0.00 1.63 0.04 0.00 0.00 177.00 179.35 1uk1 n LYS 943 N 1.50 0.00 0.00 4.56 5.02 -1.26 -1.00 118.16 126.98 1uk1 n LYS 943 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1uk1 n LYS 943 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 1uk1 n LYS 943 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uk1 n GLY 944 N 0.00 1.93 3.70 0.72 0.00 -1.26 -4.99 105.19 105.29 1uk1 n GLY 944 Ca 0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1uk1 n GLY 944 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uk1 s LYS 945 N 0.00 3.91 -0.10 1.61 -0.14 -0.17 -4.69 119.74 120.16 1uk1 s LYS 945 Ca 0.00 -0.28 0.03 0.00 -1.36 0.00 0.00 55.97 54.36 1uk1 s LYS 945 Cb 0.00 -3.24 -0.08 0.00 -1.68 0.00 0.00 37.83 32.83 1uk1 s LYS 945 CO 0.00 0.38 -0.05 0.72 -0.76 0.00 0.00 175.35 175.64 1uk1 n HIS 946 N 3.24 0.00 -4.39 3.18 8.25 0.30 -4.62 115.22 121.18 1uk1 n HIS 946 Ca -0.17 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.10 1uk1 n HIS 946 Cb 0.53 -0.40 -0.10 0.00 1.12 0.00 0.00 29.99 31.13 1uk1 n HIS 946 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1uk1 s SER 947 N -4.63 2.19 0.05 0.41 1.04 -1.15 -4.44 113.70 107.17 1uk1 s SER 947 Ca -0.10 -1.26 0.07 0.00 0.48 0.00 0.00 55.95 55.13 1uk1 s SER 947 Cb 0.03 -0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 1uk1 s SER 947 CO 0.28 -0.51 -0.16 -0.69 0.98 0.00 0.00 173.24 173.14 1uk1 s VAL 948 N -3.30 2.96 -0.23 5.02 1.01 0.11 -0.01 120.40 125.97 1uk1 s VAL 948 Ca 0.31 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1uk1 s VAL 948 Cb 0.06 -2.28 0.05 0.00 0.00 0.00 0.00 36.38 34.21 1uk1 s VAL 948 CO 0.12 0.29 -0.11 -0.75 0.00 0.00 0.00 175.10 174.65 1uk1 s LYS 949 N -1.61 2.15 -0.02 2.72 2.20 0.26 -0.67 119.74 124.77 1uk1 s LYS 949 Ca 0.16 -1.06 -0.29 0.00 -0.36 0.00 0.00 55.97 54.42 1uk1 s LYS 949 Cb -0.11 -2.64 -0.03 0.00 -1.51 0.00 0.00 37.83 33.54 1uk1 s LYS 949 CO 0.07 -0.48 0.95 0.20 -0.36 0.00 0.00 175.35 175.73 1uk1 s GLY 950 N 1.27 2.82 -0.22 5.54 0.00 0.03 0.01 107.32 116.77 1uk1 s GLY 950 Ca -0.04 0.48 -0.23 0.00 0.00 0.00 0.00 44.72 44.93 1uk1 s GLY 950 CO -0.07 1.66 0.73 1.08 0.00 0.00 0.00 173.10 176.49 1uk1 s LEU 951 N 1.10 4.12 0.49 0.66 1.43 -0.45 -0.84 118.68 125.18 1uk1 s LEU 951 Ca 0.50 0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 54.42 1uk1 s LEU 951 Cb -0.20 -3.03 -0.06 0.00 0.03 0.00 0.00 46.19 42.93 1uk1 s LEU 951 CO 0.26 -0.39 0.88 -0.83 0.23 0.00 0.00 176.35 176.50 1uk1 s GLY 952 N 1.29 1.82 0.52 -3.19 0.00 -1.26 -4.10 107.32 102.39 1uk1 s GLY 952 Ca 0.32 -0.16 0.21 0.00 0.00 0.00 0.00 44.72 45.09 1uk1 s GLY 952 CO 0.10 0.06 2.12 1.70 0.00 0.00 0.00 173.10 177.08 1uk1 h LYS 953 N 0.63 0.00 -5.13 2.90 3.64 -1.35 -3.43 116.57 113.83 1uk1 h LYS 953 Ca -0.46 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.33 1uk1 h LYS 953 Cb 1.19 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 32.69 1uk1 h LYS 953 CO 0.62 0.08 -0.85 0.99 -2.27 0.00 0.00 179.45 178.02 1uk1 s THR 954 N -4.67 1.57 0.16 1.00 2.01 -1.05 -2.00 115.64 112.65 1uk1 s THR 954 Ca -0.04 -0.76 0.07 0.00 0.31 0.00 0.00 61.69 61.28 1uk1 s THR 954 Cb 0.15 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1uk1 s THR 954 CO 0.63 0.45 -0.16 0.42 -0.69 0.00 0.00 174.62 175.27 1uk1 s THR 955 N 0.31 1.64 0.48 -0.82 -4.23 0.01 -4.01 115.64 109.02 1uk1 s THR 955 Ca -0.12 -1.89 -0.24 0.00 -1.18 0.00 0.00 61.69 58.27 1uk1 s THR 955 Cb -0.15 -1.77 -0.07 0.00 1.34 0.00 0.00 72.50 71.85 1uk1 s THR 955 CO 0.05 -0.39 1.32 -2.65 -0.54 0.00 0.00 174.62 172.40 1uk1 n PRO 956 N 0.28 1.86 -1.80 3.99 -0.02 -1.26 -1.13 135.00 136.91 1uk1 n PRO 956 Ca -0.13 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 1uk1 n PRO 956 Cb 0.57 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 1uk1 n PRO 956 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1uk1 s ASP 957 N -0.69 6.49 0.53 2.55 -1.08 -0.62 -4.72 116.67 119.13 1uk1 s ASP 957 Ca 0.66 2.67 0.19 0.00 -0.52 0.00 0.00 52.55 55.55 1uk1 s ASP 957 Cb -0.46 -2.57 1.37 0.00 -1.46 0.00 0.00 42.92 39.80 1uk1 s ASP 957 CO 0.54 -0.95 2.16 -0.65 0.52 0.00 0.00 175.17 176.80 1uk1 h PRO 958 N 8.13 0.00 0.00 4.34 0.11 -1.92 -2.95 132.00 139.72 1uk1 h PRO 958 Ca -0.44 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 1uk1 h PRO 958 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1uk1 h PRO 958 CO 0.94 0.00 -0.31 0.66 -0.21 0.00 0.00 178.00 179.08 1uk1 h SER 959 N 0.00 0.00 -0.29 -2.05 4.64 -2.00 -3.00 113.55 110.84 1uk1 h SER 959 Ca 0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 1uk1 h SER 959 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1uk1 h SER 959 CO -0.00 0.31 0.05 0.00 -0.87 0.00 0.00 176.83 176.33 1uk1 n ALA 960 N -2.26 3.27 -1.61 5.18 0.00 -1.11 -4.92 120.51 119.06 1uk1 n ALA 960 Ca 0.00 -0.94 -0.44 0.00 0.00 0.00 0.00 53.44 52.06 1uk1 n ALA 960 Cb 0.49 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 1uk1 n ALA 960 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1uk1 n ASN 961 N 0.19 1.48 0.00 0.00 2.85 -1.14 -3.74 115.26 114.90 1uk1 n ASN 961 Ca 0.15 1.17 0.00 0.00 -0.11 0.00 0.00 54.58 55.79 1uk1 n ASN 961 Cb 0.74 -1.32 0.00 0.00 1.24 0.00 0.00 39.78 40.44 1uk1 n ASN 961 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1uk1 n ILE 962 N 0.15 0.00 -3.81 -1.44 0.13 -1.16 -4.93 119.36 108.30 1uk1 n ILE 962 Ca 0.09 0.00 -0.08 0.00 -1.10 0.00 0.00 62.75 61.65 1uk1 n ILE 962 Cb 0.33 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 39.11 1uk1 n ILE 962 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1uk1 s SER 963 N 1.00 -0.27 0.00 9.51 0.15 -1.26 -3.90 113.70 118.94 1uk1 s SER 963 Ca 0.00 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1uk1 s SER 963 Cb 0.00 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1uk1 s SER 963 CO 0.00 -1.23 0.00 -0.11 1.20 0.00 0.00 173.24 173.10 1uk1 n LEU 964 N -0.42 0.00 -0.08 3.45 7.94 -1.26 -4.92 117.00 121.71 1uk1 n LEU 964 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 1uk1 n LEU 964 Cb 0.61 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.56 1uk1 n LEU 964 CO 0.16 0.00 0.12 -0.67 -1.11 0.00 0.00 177.39 175.89 1uk1 n ASP 965 N 0.00 0.00 -1.87 1.96 -0.08 -1.26 -5.01 116.55 110.29 1uk1 n ASP 965 Ca 0.00 -1.06 -0.04 0.00 -1.51 0.00 0.00 54.79 52.18 1uk1 n ASP 965 Cb 0.00 -0.01 0.02 0.00 2.34 0.00 0.00 41.12 43.47 1uk1 n ASP 965 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1uk1 n GLY 966 N 0.00 0.31 1.81 0.27 0.00 -1.26 -4.99 105.19 101.33 1uk1 n GLY 966 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 1uk1 n GLY 966 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1uk1 n VAL 967 N -1.93 -8.22 -4.02 1.61 0.31 -1.26 -5.17 118.33 99.66 1uk1 n VAL 967 Ca -0.04 1.66 -0.21 0.00 -0.01 0.00 0.00 64.34 65.74 1uk1 n VAL 967 Cb 0.54 -4.79 -0.03 0.00 -0.91 0.00 0.00 33.84 28.65 1uk1 n VAL 967 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1uk1 s ASP 968 N -0.33 6.04 -0.39 4.52 -4.77 -0.54 -4.42 116.67 116.78 1uk1 s ASP 968 Ca -0.04 -0.04 0.01 0.00 -3.30 0.00 0.00 52.55 49.18 1uk1 s ASP 968 Cb 0.00 -1.70 0.13 0.00 -1.09 0.00 0.00 42.92 40.26 1uk1 s ASP 968 CO 0.10 -0.06 0.21 -0.69 0.70 0.00 0.00 175.17 175.43 1uk1 s VAL 969 N -2.03 0.86 -0.98 2.11 1.01 -1.25 -0.13 120.40 119.99 1uk1 s VAL 969 Ca 0.34 -2.10 -0.26 0.00 0.00 0.00 0.00 61.98 59.95 1uk1 s VAL 969 Cb -0.09 -1.62 -0.21 0.00 0.00 0.00 0.00 36.38 34.47 1uk1 s VAL 969 CO 0.28 -0.91 2.21 -2.65 0.00 0.00 0.00 175.10 174.03 1uk1 n PRO 970 N 3.89 0.24 -0.05 2.72 -0.02 -1.26 -2.96 135.00 137.55 1uk1 n PRO 970 Ca 0.08 -1.40 -0.09 0.00 -2.02 0.00 0.00 63.50 60.07 1uk1 n PRO 970 Cb 0.36 -3.83 -0.15 0.00 -0.02 0.00 0.00 33.50 29.87 1uk1 n PRO 970 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1uk1 n LEU 971 N 19.45 0.62 -4.67 2.45 7.94 -1.25 -4.84 117.00 136.70 1uk1 n LEU 971 Ca 0.43 0.26 -0.50 0.00 -1.11 0.00 0.00 56.01 55.09 1uk1 n LEU 971 Cb 0.46 0.25 -0.05 0.00 0.53 0.00 0.00 43.42 44.60 1uk1 n LEU 971 CO 0.58 0.44 1.26 0.61 -1.11 0.00 0.00 177.39 179.17 1uk1 n GLY 972 N 1.64 1.08 0.00 -3.96 0.00 -1.25 -4.51 105.19 98.20 1uk1 n GLY 972 Ca -0.23 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1uk1 n GLY 972 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1uk1 n THR 973 N 4.01 0.00 -1.51 2.61 5.66 -1.25 -1.59 114.28 122.21 1uk1 n THR 973 Ca 0.20 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.08 1uk1 n THR 973 Cb 0.25 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.93 1uk1 n THR 973 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1uk1 n GLY 974 N 0.00 -0.33 3.89 1.09 0.00 -1.18 -3.27 105.19 105.40 1uk1 n GLY 974 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1uk1 n GLY 974 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uk1 s ILE 975 N 13.99 1.96 0.16 -0.61 -4.36 -0.28 -4.72 121.20 127.34 1uk1 s ILE 975 Ca 0.80 0.00 -0.25 0.00 -0.26 0.00 0.00 60.65 60.95 1uk1 s ILE 975 Cb -0.12 -2.95 -0.08 0.00 1.25 0.00 0.00 42.46 40.57 1uk1 s ILE 975 CO 0.16 0.00 0.76 -0.44 0.24 0.00 0.00 174.94 175.66 1uk1 s SER 976 N -4.74 7.35 0.93 4.36 0.01 -1.26 -0.81 113.70 119.55 1uk1 s SER 976 Ca 0.72 1.61 -0.13 0.00 1.31 0.00 0.00 55.95 59.46 1uk1 s SER 976 Cb -0.06 -2.49 0.15 0.00 0.21 0.00 0.00 66.02 63.84 1uk1 s SER 976 CO 0.53 0.20 1.14 -0.94 0.41 0.00 0.00 173.24 174.59 1uk1 s SER 977 N -1.17 3.32 0.24 2.44 1.04 -0.85 -4.84 113.70 113.88 1uk1 s SER 977 Ca 0.36 0.91 -0.06 0.00 0.48 0.00 0.00 55.95 57.64 1uk1 s SER 977 Cb -0.23 -1.44 0.23 0.00 0.10 0.00 0.00 66.02 64.68 1uk1 s SER 977 CO 0.25 -2.66 1.83 1.23 0.98 0.00 0.00 173.24 174.87 1uk1 h GLY 978 N -1.58 1.27 -7.14 7.32 0.00 -1.90 -3.40 103.07 97.65 1uk1 h GLY 978 Ca -0.50 -0.62 -0.54 0.00 0.00 0.00 0.00 47.33 45.67 1uk1 h GLY 978 CO 0.59 0.59 1.35 0.14 0.00 0.00 0.00 176.54 179.21 1uk1 s VAL 979 N -5.67 3.82 -0.27 4.60 1.01 -1.26 -4.75 120.40 117.89 1uk1 s VAL 979 Ca -0.12 -0.67 0.26 0.00 0.00 0.00 0.00 61.98 61.45 1uk1 s VAL 979 Cb 0.16 -4.85 0.34 0.00 0.00 0.00 0.00 36.38 32.04 1uk1 s VAL 979 CO 0.83 -1.74 1.71 -0.55 0.00 0.00 0.00 175.10 175.35 1uk1 h ASN 980 N 10.11 0.00 0.00 3.32 7.08 -1.89 -3.32 115.58 130.87 1uk1 h ASN 980 Ca 0.17 0.00 -0.12 0.00 -3.08 0.00 0.00 56.30 53.27 1uk1 h ASN 980 Cb 1.01 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.21 1uk1 h ASN 980 CO 1.38 0.02 -0.17 0.47 -2.08 0.00 0.00 177.43 177.06 1uk1 n ASP 981 N -3.11 4.16 -3.89 6.14 10.43 -1.26 -4.89 116.55 124.14 1uk1 n ASP 981 Ca 0.03 -2.25 -0.09 0.00 2.57 0.00 0.00 54.79 55.06 1uk1 n ASP 981 Cb 0.47 -1.08 -0.08 0.00 1.84 0.00 0.00 41.12 42.28 1uk1 n ASP 981 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 1uk1 s THR 982 N 1.23 0.15 -2.36 -3.53 -1.32 -1.26 -5.00 115.64 103.54 1uk1 s THR 982 Ca 0.43 -1.26 0.27 0.00 -1.21 0.00 0.00 61.69 59.91 1uk1 s THR 982 Cb 0.20 -1.38 0.58 0.00 -1.51 0.00 0.00 72.50 70.40 1uk1 s THR 982 CO 0.00 -0.67 1.77 -1.20 -2.21 0.00 0.00 174.62 172.31 1uk1 n SER 983 N -0.05 1.24 -4.21 8.08 7.64 0.85 -4.88 113.62 122.28 1uk1 n SER 983 Ca -0.15 -1.46 -0.30 0.00 1.01 0.00 0.00 58.87 57.97 1uk1 n SER 983 Cb 0.62 -0.02 -0.16 0.00 -1.01 0.00 0.00 64.21 63.64 1uk1 n SER 983 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1uk1 s LEU 984 N -1.89 2.01 0.00 -3.43 1.43 -1.26 -5.00 118.68 110.55 1uk1 s LEU 984 Ca 0.38 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1uk1 s LEU 984 Cb 0.20 -1.26 0.00 0.00 0.03 0.00 0.00 46.19 45.16 1uk1 s LEU 984 CO 0.32 0.20 0.21 0.00 0.23 0.00 0.00 176.35 177.31 1uk1 n LEU 985 N 3.14 0.00 -3.92 1.79 -0.00 -1.26 -2.12 117.00 114.63 1uk1 n LEU 985 Ca -0.18 0.21 -0.11 0.00 -0.00 0.00 0.00 56.01 55.93 1uk1 n LEU 985 Cb 0.52 -0.05 -0.13 0.00 -0.00 0.00 0.00 43.42 43.77 1uk1 n LEU 985 CO 0.26 -0.05 -0.36 -0.31 -0.00 0.00 0.00 177.39 176.93 1uk1 s TYR 986 N -1.55 0.13 0.00 1.47 2.02 -1.26 -2.54 117.35 115.62 1uk1 s TYR 986 Ca 0.00 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 1uk1 s TYR 986 Cb 0.00 -0.09 0.00 0.00 -0.40 0.00 0.00 41.96 41.47 1uk1 s TYR 986 CO 0.00 -0.08 0.00 0.09 -1.57 0.00 0.00 175.55 173.99 1uk1 n ASN 987 N 2.45 0.00 -4.35 2.29 4.13 -1.25 -4.41 115.26 114.11 1uk1 n ASN 987 Ca -0.17 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 55.86 1uk1 n ASN 987 Cb 0.58 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.70 1uk1 n ASN 987 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1uk1 s GLU 988 N 0.00 1.31 -0.08 3.52 2.02 -0.02 -4.30 118.70 121.15 1uk1 s GLU 988 Ca 0.00 -1.41 0.05 0.00 0.02 0.00 0.00 54.97 53.64 1uk1 s GLU 988 Cb 0.00 -1.44 -0.01 0.00 0.10 0.00 0.00 34.13 32.78 1uk1 s GLU 988 CO 0.00 0.30 -0.24 0.71 0.02 0.00 0.00 175.26 176.05 1uk1 s TYR 989 N -1.88 2.50 -0.02 1.61 1.51 -0.61 -0.79 117.35 119.67 1uk1 s TYR 989 Ca 0.16 -0.84 0.01 0.00 -1.01 0.00 0.00 57.07 55.39 1uk1 s TYR 989 Cb -0.07 -1.65 0.02 0.00 -0.11 0.00 0.00 41.96 40.15 1uk1 s TYR 989 CO 0.07 -0.29 -0.03 0.42 -1.11 0.00 0.00 175.55 174.61 1uk1 s ILE 990 N 0.04 0.33 -0.08 2.71 1.09 0.15 0.10 121.20 125.54 1uk1 s ILE 990 Ca -0.10 -0.06 0.02 0.00 -1.10 0.00 0.00 60.65 59.41 1uk1 s ILE 990 Cb -0.15 -0.36 -0.02 0.00 -1.06 0.00 0.00 42.46 40.86 1uk1 s ILE 990 CO 0.06 0.15 -0.13 0.68 -0.10 0.00 0.00 174.94 175.60 1uk1 s VAL 991 N 0.60 3.17 -2.09 2.92 -7.23 -0.53 -0.71 120.40 116.53 1uk1 s VAL 991 Ca -0.07 -0.66 0.20 0.00 -1.81 0.00 0.00 61.98 59.64 1uk1 s VAL 991 Cb -0.10 -2.28 0.52 0.00 0.56 0.00 0.00 36.38 35.08 1uk1 s VAL 991 CO -0.01 0.57 1.45 -1.22 -0.31 0.00 0.00 175.10 175.58 1uk1 n TYR 992 N 2.74 0.74 -4.50 2.82 4.02 -1.26 -1.56 117.16 120.16 1uk1 n TYR 992 Ca -0.18 -0.37 -0.20 0.00 -0.01 0.00 0.00 57.90 57.14 1uk1 n TYR 992 Cb 0.52 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.70 1uk1 n TYR 992 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1uk1 s ASP 993 N -1.11 1.33 0.30 7.72 2.15 -1.26 -4.76 116.67 121.03 1uk1 s ASP 993 Ca 0.41 -0.21 0.22 0.00 0.43 0.00 0.00 52.55 53.40 1uk1 s ASP 993 Cb 0.22 -0.15 0.14 0.00 -0.30 0.00 0.00 42.92 42.83 1uk1 s ASP 993 CO 0.29 0.14 1.29 0.16 -0.17 0.00 0.00 175.17 176.88 1uk1 h ILE 994 N 4.86 0.05 0.00 4.11 -2.65 -1.94 -2.37 117.51 119.57 1uk1 h ILE 994 Ca -0.32 -1.08 0.00 0.00 1.03 0.00 0.00 64.86 64.48 1uk1 h ILE 994 Cb 1.17 1.77 0.00 0.00 -2.05 0.00 0.00 36.82 37.71 1uk1 h ILE 994 CO 0.49 0.03 0.00 0.00 0.03 0.00 0.00 178.15 178.70 1uk1 n ALA 995 N -2.16 1.46 1.09 0.16 0.00 -1.26 -3.06 120.51 116.74 1uk1 n ALA 995 Ca 0.01 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.47 1uk1 n ALA 995 Cb 0.56 -1.09 0.12 0.00 0.00 0.00 0.00 19.45 19.04 1uk1 n ALA 995 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1uk1 n GLN 996 N -1.26 1.67 -4.46 0.00 7.27 -0.89 -4.27 117.38 115.44 1uk1 n GLN 996 Ca 0.03 -0.95 -0.25 0.00 0.07 0.00 0.00 57.00 55.90 1uk1 n GLN 996 Cb 0.04 -1.26 -0.13 0.00 2.41 0.00 0.00 30.24 31.30 1uk1 n GLN 996 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1uk1 s VAL 997 N -1.65 1.69 -0.16 1.69 -7.23 -1.17 -1.85 120.40 111.71 1uk1 s VAL 997 Ca 0.17 -1.37 -0.01 0.00 -1.81 0.00 0.00 61.98 58.96 1uk1 s VAL 997 Cb 0.10 -1.50 -0.01 0.00 0.56 0.00 0.00 36.38 35.53 1uk1 s VAL 997 CO 0.11 0.07 -0.12 0.21 -0.31 0.00 0.00 175.10 175.06 1uk1 s ASN 998 N -1.55 3.95 -0.02 4.85 3.04 -0.36 -4.70 114.94 120.16 1uk1 s ASN 998 Ca 0.07 -0.39 -0.30 0.00 0.04 0.00 0.00 52.86 52.28 1uk1 s ASN 998 Cb -0.09 -1.62 -0.03 0.00 -1.54 0.00 0.00 41.25 37.96 1uk1 s ASN 998 CO 0.03 0.10 1.02 -0.76 -3.04 0.00 0.00 177.10 174.44 1uk1 s LEU 999 N 0.76 4.34 -0.04 3.21 1.43 -1.26 -1.34 118.68 125.78 1uk1 s LEU 999 Ca -0.05 1.67 -0.05 0.00 -1.03 0.00 0.00 54.13 54.68 1uk1 s LEU 999 Cb -0.15 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 1uk1 s LEU 999 CO 0.01 -0.34 -0.09 0.29 0.23 0.00 0.00 176.35 176.45 1uk1 n LYS 1000N 4.21 0.14 -4.00 1.70 4.76 -0.07 -4.67 118.16 120.23 1uk1 n LYS 1000Ca 0.07 0.06 -0.31 0.00 -2.87 0.00 0.00 58.31 55.26 1uk1 n LYS 1000Cb 0.50 -0.70 -0.15 0.00 -1.84 0.00 0.00 35.03 32.84 1uk1 n LYS 1000CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1uk1 s TYR 1001N -1.54 3.08 -0.38 2.13 2.02 -0.73 -0.97 117.35 120.96 1uk1 s TYR 1001Ca -0.08 -2.34 -0.29 0.00 -0.37 0.00 0.00 57.07 54.00 1uk1 s TYR 1001Cb 0.01 -2.12 -0.00 0.00 -0.40 0.00 0.00 41.96 39.44 1uk1 s TYR 1001CO 0.11 -0.87 1.61 -1.17 -1.57 0.00 0.00 175.55 173.66 1uk1 s LEU 1002N 1.16 3.54 0.17 -1.29 2.96 -1.06 -1.55 118.68 122.61 1uk1 s LEU 1002Ca -0.01 1.04 -0.20 0.00 -0.22 0.00 0.00 54.13 54.74 1uk1 s LEU 1002Cb -0.19 -3.50 -0.08 0.00 0.50 0.00 0.00 46.19 42.92 1uk1 s LEU 1002CO -0.08 -1.59 0.68 -0.76 -1.32 0.00 0.00 176.35 173.29 1uk1 s LEU 1003N 6.21 4.42 -0.65 -0.68 1.02 -0.81 -0.40 118.68 127.80 1uk1 s LEU 1003Ca 0.70 1.39 -0.21 0.00 0.02 0.00 0.00 54.13 56.04 1uk1 s LEU 1003Cb -0.18 -3.36 0.09 0.00 0.02 0.00 0.00 46.19 42.76 1uk1 s LEU 1003CO 0.33 0.12 0.86 -0.75 0.02 0.00 0.00 176.35 176.93 1uk1 s LYS 1004N -1.66 3.11 0.30 1.70 2.47 0.48 -1.79 119.74 124.35 1uk1 s LYS 1004Ca 0.38 -1.09 0.07 0.00 -1.56 0.00 0.00 55.97 53.77 1uk1 s LYS 1004Cb -0.18 -4.28 -0.02 0.00 -1.46 0.00 0.00 37.83 31.88 1uk1 s LYS 1004CO 0.21 -1.70 0.34 -1.17 0.16 0.00 0.00 175.35 173.19 1uk1 s LEU 1005N 3.41 3.91 -0.09 5.43 0.20 0.10 -0.39 118.68 131.25 1uk1 s LEU 1005Ca 0.18 -0.23 -0.00 0.00 0.69 0.00 0.00 54.13 54.77 1uk1 s LEU 1005Cb -0.19 -2.54 0.02 0.00 -0.43 0.00 0.00 46.19 43.05 1uk1 s LEU 1005CO 0.07 -0.25 -0.05 -0.75 -0.29 0.00 0.00 176.35 175.09 1uk1 s LYS 1006N -4.01 1.15 -0.38 1.98 2.47 0.90 -1.07 119.74 120.78 1uk1 s LYS 1006Ca 0.39 -0.13 -0.17 0.00 -1.56 0.00 0.00 55.97 54.51 1uk1 s LYS 1006Cb -0.08 -1.28 0.00 0.00 -1.46 0.00 0.00 37.83 35.02 1uk1 s LYS 1006CO 0.28 -0.23 0.42 -0.06 0.16 0.00 0.00 175.35 175.92 1uk1 s PHE 1007N 1.62 3.19 -0.64 4.03 0.40 -0.97 -1.78 117.98 123.82 1uk1 s PHE 1007Ca 0.01 -0.12 -0.19 0.00 -0.60 0.00 0.00 56.93 56.03 1uk1 s PHE 1007Cb -0.13 -2.81 0.11 0.00 0.51 0.00 0.00 43.02 40.69 1uk1 s PHE 1007CO -0.05 -0.56 0.77 -0.80 0.70 0.00 0.00 175.22 175.28 1uk1 s ASN 1008N 1.77 6.24 0.26 1.36 -0.87 -0.46 -4.67 114.94 118.58 1uk1 s ASN 1008Ca 0.13 -1.49 0.07 0.00 -1.57 0.00 0.00 52.86 50.01 1uk1 s ASN 1008Cb -0.16 -2.32 -0.04 0.00 -0.02 0.00 0.00 41.25 38.71 1uk1 s ASN 1008CO 0.13 -1.13 0.17 0.72 -2.57 0.00 0.00 177.10 174.42 1uk1 s PHE 1009N 2.74 3.04 -0.38 2.20 -0.71 -1.26 -2.69 117.98 120.93 1uk1 s PHE 1009Ca 0.15 -0.13 0.05 0.00 -1.04 0.00 0.00 56.93 55.96 1uk1 s PHE 1009Cb -0.21 -1.38 0.47 0.00 -1.21 0.00 0.00 43.02 40.68 1uk1 s PHE 1009CO 0.05 0.53 1.44 1.17 -1.34 0.00 0.00 175.22 177.07 1uk1 n LYS 1010N -1.14 3.02 0.00 1.99 4.81 -1.26 -4.91 118.16 120.67 1uk1 n LYS 1010Ca -0.07 -3.76 0.14 0.00 -0.87 0.00 0.00 58.31 53.74 1uk1 n LYS 1010Cb 0.58 -2.18 0.46 0.00 0.02 0.00 0.00 35.03 33.91 1uk1 n LYS 1010CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82