#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a28 s ILE 684 N 0.00 4.20 0.27 1.47 -1.09 -1.26 -5.00 121.20 119.80 1a28 s ILE 684 Ca 0.00 1.81 -0.30 0.00 -2.23 0.00 0.00 60.65 59.93 1a28 s ILE 684 Cb 0.00 -4.16 -0.13 0.00 -1.58 0.00 0.00 42.46 36.60 1a28 s ILE 684 CO 0.00 0.27 1.47 -2.65 -1.23 0.00 0.00 174.94 172.80 1a28 n PRO 685 N 2.79 2.30 -0.23 2.79 -0.02 -1.26 -4.78 135.00 136.59 1a28 n PRO 685 Ca 0.03 0.82 0.03 0.00 -2.02 0.00 0.00 63.50 62.36 1a28 n PRO 685 Cb 0.48 -2.52 0.13 0.00 -0.02 0.00 0.00 33.50 31.57 1a28 n PRO 685 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1a28 h PRO 686 N 4.26 0.14 -0.58 0.52 0.13 -1.99 -0.05 132.00 134.43 1a28 h PRO 686 Ca -0.46 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.73 1a28 h PRO 686 Cb 1.26 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1a28 h PRO 686 CO 0.76 0.09 0.38 1.25 -0.23 0.00 0.00 178.00 180.25 1a28 h LEU 687 N 0.14 0.47 -0.33 1.56 5.85 -1.99 0.18 115.31 121.18 1a28 h LEU 687 Ca 0.36 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.90 1a28 h LEU 687 Cb 0.61 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1a28 h LEU 687 CO -0.56 0.31 -0.59 0.40 -0.34 0.00 0.00 178.44 177.65 1a28 h ILE 688 N 0.54 1.29 -0.46 4.05 2.04 -1.39 -0.90 117.51 122.68 1a28 h ILE 688 Ca 0.25 -1.81 -0.08 0.00 1.00 0.00 0.00 64.86 64.23 1a28 h ILE 688 Cb 0.30 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1a28 h ILE 688 CO -0.07 0.58 -0.04 0.78 0.00 0.00 0.00 178.15 179.40 1a28 h ASN 689 N 0.57 0.76 -0.33 1.72 2.35 -0.45 -1.54 115.58 118.66 1a28 h ASN 689 Ca -0.00 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.53 1a28 h ASN 689 Cb 1.19 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 1a28 h ASN 689 CO 0.12 0.85 0.10 0.25 -1.65 0.00 0.00 177.43 177.10 1a28 h LEU 690 N 0.72 0.48 -1.16 1.61 5.85 -0.85 -1.38 115.31 120.59 1a28 h LEU 690 Ca 0.14 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.72 1a28 h LEU 690 Cb 0.49 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 1a28 h LEU 690 CO 0.03 0.57 0.59 -0.07 -0.34 0.00 0.00 178.44 179.21 1a28 h LEU 691 N 0.38 0.87 -0.74 2.25 3.38 -0.72 -0.74 115.31 119.98 1a28 h LEU 691 Ca 0.11 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1a28 h LEU 691 Cb 0.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1a28 h LEU 691 CO -0.00 0.54 -0.41 -0.03 0.09 0.00 0.00 178.44 178.63 1a28 h MET 692 N 0.97 0.47 -0.70 1.13 4.05 -0.89 -2.96 114.93 117.01 1a28 h MET 692 Ca 0.40 -0.24 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 1a28 h MET 692 Cb 0.29 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 1a28 h MET 692 CO -0.16 0.80 0.36 1.03 0.23 0.00 0.00 176.91 179.17 1a28 h SER 693 N 0.39 0.89 -0.23 1.39 0.87 -0.03 -3.02 113.55 113.81 1a28 h SER 693 Ca 0.03 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1a28 h SER 693 Cb 0.89 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1a28 h SER 693 CO 0.07 0.73 0.00 2.30 -0.53 0.00 0.00 176.83 179.41 1a28 n ILE 694 N -4.35 0.28 -1.85 2.23 -5.35 -0.88 -4.94 119.36 104.50 1a28 n ILE 694 Ca 0.07 -0.54 -0.41 0.00 -0.27 0.00 0.00 62.75 61.60 1a28 n ILE 694 Cb 0.12 0.84 -0.02 0.00 -1.74 0.00 0.00 39.64 38.84 1a28 n ILE 694 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1a28 s GLU 695 N -1.72 4.17 0.69 6.28 2.56 -1.12 -4.84 118.70 124.72 1a28 s GLU 695 Ca 0.35 2.49 -0.17 0.00 0.00 0.00 0.00 54.97 57.64 1a28 s GLU 695 Cb 0.20 -3.05 0.01 0.00 2.00 0.00 0.00 34.13 33.30 1a28 s GLU 695 CO 0.30 -0.56 1.27 -2.30 -0.56 0.00 0.00 175.26 173.40 1a28 n PRO 696 N 2.18 0.87 -1.80 4.30 -0.02 -1.26 -5.02 135.00 134.26 1a28 n PRO 696 Ca 0.08 0.36 -0.29 0.00 -2.02 0.00 0.00 63.50 61.62 1a28 n PRO 696 Cb 0.38 -2.51 0.09 0.00 -0.02 0.00 0.00 33.50 31.45 1a28 n PRO 696 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1a28 s ASP 697 N -1.57 4.54 0.44 2.55 -1.08 -1.26 -4.97 116.67 115.32 1a28 s ASP 697 Ca 0.80 0.94 -0.25 0.00 -0.52 0.00 0.00 52.55 53.52 1a28 s ASP 697 Cb -0.36 -1.54 -0.09 0.00 -1.46 0.00 0.00 42.92 39.47 1a28 s ASP 697 CO 0.43 -1.90 1.41 1.33 0.52 0.00 0.00 175.17 176.96 1a28 n VAL 698 N -3.34 2.71 -5.13 1.11 0.24 -1.26 -5.00 118.33 107.67 1a28 n VAL 698 Ca 0.07 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 61.55 1a28 n VAL 698 Cb 0.59 -1.81 -0.16 0.00 -1.47 0.00 0.00 33.84 31.00 1a28 n VAL 698 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1a28 s ILE 699 N -1.19 2.38 0.20 1.34 1.01 -1.26 -5.11 121.20 118.56 1a28 s ILE 699 Ca 0.61 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 1a28 s ILE 699 Cb -0.46 -1.90 -0.06 0.00 0.01 0.00 0.00 42.46 40.05 1a28 s ILE 699 CO 0.58 0.57 0.46 -0.31 0.00 0.00 0.00 174.94 176.24 1a28 s TYR 700 N -0.16 3.46 -0.30 3.97 2.02 -1.26 -4.47 117.35 120.60 1a28 s TYR 700 Ca -0.03 0.66 0.21 0.00 -0.37 0.00 0.00 57.07 57.55 1a28 s TYR 700 Cb -0.14 -2.10 0.14 0.00 -0.40 0.00 0.00 41.96 39.47 1a28 s TYR 700 CO 0.04 0.33 1.32 0.00 -1.57 0.00 0.00 175.55 175.67 1a28 h ALA 701 N 2.50 0.75 -0.89 3.71 0.00 -1.91 -3.45 119.26 119.98 1a28 h ALA 701 Ca -0.47 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.15 1a28 h ALA 701 Cb 1.17 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1a28 h ALA 701 CO 0.70 0.15 -0.19 0.41 0.00 0.00 0.00 179.25 180.33 1a28 n GLY 702 N 1.17 0.39 3.77 0.00 0.00 -1.26 -4.48 105.19 104.77 1a28 n GLY 702 Ca 0.01 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 1a28 n GLY 702 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1a28 s HIS 703 N -2.37 3.76 0.00 1.61 5.04 -1.26 -5.03 115.29 117.04 1a28 s HIS 703 Ca 0.00 1.82 0.00 0.00 -1.54 0.00 0.00 55.06 55.34 1a28 s HIS 703 Cb 0.00 -2.99 0.00 0.00 0.04 0.00 0.00 32.58 29.63 1a28 s HIS 703 CO 0.00 0.18 0.28 -0.40 -2.34 0.00 0.00 174.74 172.46 1a28 n ASP 704 N 0.89 0.00 0.00 9.88 5.75 -1.26 -4.87 116.55 126.95 1a28 n ASP 704 Ca 0.01 0.28 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 1a28 n ASP 704 Cb 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 1a28 n ASP 704 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1a28 n ASN 705 N -0.46 0.00 0.10 -1.12 3.02 -1.26 -4.74 115.26 110.80 1a28 n ASN 705 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.63 1a28 n ASN 705 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1a28 n ASN 705 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1a28 h THR 706 N 0.00 0.16 -3.05 3.41 1.35 -2.02 -3.46 112.91 109.31 1a28 h THR 706 Ca 0.00 -1.30 -0.62 0.00 -0.55 0.00 0.00 66.41 63.94 1a28 h THR 706 Cb 0.00 1.71 -0.08 0.00 -1.73 0.00 0.00 68.15 68.05 1a28 h THR 706 CO 0.00 0.09 -0.59 -0.54 -0.25 0.00 0.00 175.52 174.23 1a28 s LYS 707 N -3.22 2.87 0.38 4.72 1.02 -1.26 -5.10 119.74 119.15 1a28 s LYS 707 Ca -0.00 -0.75 -0.26 0.00 0.02 0.00 0.00 55.97 54.97 1a28 s LYS 707 Cb 0.09 -2.69 -0.09 0.00 -0.52 0.00 0.00 37.83 34.62 1a28 s LYS 707 CO 0.78 0.54 1.23 -2.14 -0.92 0.00 0.00 175.35 174.84 1a28 s PRO 708 N -2.60 4.10 0.53 -1.68 0.02 -1.26 -4.98 135.00 129.13 1a28 s PRO 708 Ca 0.30 2.00 -0.22 0.00 0.02 0.00 0.00 61.00 63.09 1a28 s PRO 708 Cb -0.12 -2.79 -0.05 0.00 0.02 0.00 0.00 34.50 31.56 1a28 s PRO 708 CO 0.22 -0.33 1.38 -0.25 -0.33 0.00 0.00 177.00 177.69 1a28 n ASP 709 N 0.26 2.83 -3.97 2.53 8.00 -1.26 -5.04 116.55 119.90 1a28 n ASP 709 Ca 0.03 1.00 -0.09 0.00 0.71 0.00 0.00 54.79 56.44 1a28 n ASP 709 Cb 0.45 -1.59 -0.11 0.00 -0.02 0.00 0.00 41.12 39.85 1a28 n ASP 709 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1a28 s THR 710 N -1.27 0.11 0.24 -3.53 -4.23 -1.26 -5.03 115.64 100.67 1a28 s THR 710 Ca 0.70 -0.86 -0.05 0.00 -1.18 0.00 0.00 61.69 60.30 1a28 s THR 710 Cb -0.42 -0.25 0.22 0.00 1.34 0.00 0.00 72.50 73.39 1a28 s THR 710 CO 0.50 -0.47 1.71 -1.28 -0.54 0.00 0.00 174.62 174.54 1a28 h SER 711 N 4.72 0.15 -0.23 3.99 0.87 -1.94 -1.47 113.55 119.65 1a28 h SER 711 Ca -0.32 0.12 -0.15 0.00 -1.23 0.00 0.00 61.79 60.22 1a28 h SER 711 Cb 1.21 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.30 1a28 h SER 711 CO 0.41 0.04 -0.38 0.77 -0.53 0.00 0.00 176.83 177.14 1a28 h SER 712 N 0.36 0.81 0.14 6.23 4.64 -1.86 -2.24 113.55 121.63 1a28 h SER 712 Ca 0.40 -0.36 -0.20 0.00 -0.47 0.00 0.00 61.79 61.17 1a28 h SER 712 Cb 0.65 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1a28 h SER 712 CO -0.44 1.10 -0.74 0.77 -0.87 0.00 0.00 176.83 176.65 1a28 h SER 713 N 0.63 0.62 -0.11 4.97 4.64 -1.73 -1.52 113.55 121.05 1a28 h SER 713 Ca 0.06 -0.40 -0.04 0.00 -0.47 0.00 0.00 61.79 60.93 1a28 h SER 713 Cb 0.93 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1a28 h SER 713 CO 0.09 1.16 -0.08 0.25 -0.87 0.00 0.00 176.83 177.37 1a28 h LEU 714 N 0.35 0.26 -0.95 5.97 5.85 -1.31 -1.13 115.31 124.35 1a28 h LEU 714 Ca -0.04 -0.45 -0.10 0.00 0.84 0.00 0.00 57.88 58.13 1a28 h LEU 714 Cb 1.33 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1a28 h LEU 714 CO 0.14 0.66 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.52 1a28 h LEU 715 N -0.13 0.39 -0.56 2.25 3.38 -1.46 -0.87 115.31 118.30 1a28 h LEU 715 Ca 0.02 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1a28 h LEU 715 Cb 0.57 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1a28 h LEU 715 CO 0.02 0.69 -0.07 0.74 0.09 0.00 0.00 178.44 179.92 1a28 h THR 716 N 0.34 1.27 -0.40 0.22 2.02 -1.21 -0.67 112.91 114.46 1a28 h THR 716 Ca 0.04 -1.22 -0.11 0.00 0.77 0.00 0.00 66.41 65.89 1a28 h THR 716 Cb 0.72 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1a28 h THR 716 CO 0.05 0.44 -0.21 0.28 0.37 0.00 0.00 175.52 176.45 1a28 h SER 717 N 0.92 0.80 -0.60 4.18 0.02 -0.95 -1.35 113.55 116.58 1a28 h SER 717 Ca 0.15 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 1a28 h SER 717 Cb 0.63 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1a28 h SER 717 CO 0.04 1.00 0.20 -0.07 -1.14 0.00 0.00 176.83 176.85 1a28 h LEU 718 N 0.69 0.89 -0.84 5.07 3.38 -0.87 -0.61 115.31 123.03 1a28 h LEU 718 Ca 0.10 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1a28 h LEU 718 Cb 0.73 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1a28 h LEU 718 CO 0.06 0.84 -0.19 0.78 0.09 0.00 0.00 178.44 180.01 1a28 h ASN 719 N 0.93 0.65 -0.60 -0.43 2.35 -0.70 0.21 115.58 117.99 1a28 h ASN 719 Ca 0.21 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 1a28 h ASN 719 Cb 0.27 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1a28 h ASN 719 CO -0.01 0.85 -0.02 -0.61 -1.65 0.00 0.00 177.43 175.99 1a28 h GLN 720 N 0.58 1.08 -0.27 0.81 4.15 -0.82 -0.07 115.11 120.57 1a28 h GLN 720 Ca 0.09 -0.35 -0.02 0.00 0.77 0.00 0.00 58.65 59.14 1a28 h GLN 720 Cb 0.65 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1a28 h GLN 720 CO 0.05 1.06 0.11 1.25 -1.93 0.00 0.00 178.83 179.36 1a28 h LEU 721 N 0.98 0.37 -0.78 -2.39 5.85 -0.77 -1.80 115.31 116.76 1a28 h LEU 721 Ca 0.17 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.83 1a28 h LEU 721 Cb 0.58 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 1a28 h LEU 721 CO 0.03 0.43 0.42 1.23 -0.34 0.00 0.00 178.44 180.22 1a28 h GLY 722 N 0.29 1.20 0.98 3.75 0.00 -0.24 0.14 103.07 109.18 1a28 h GLY 722 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1a28 h GLY 722 CO -0.01 0.08 0.14 -2.09 0.00 0.00 0.00 176.54 174.67 1a28 h GLU 723 N 0.70 0.28 -0.66 4.80 4.57 -0.59 0.21 114.58 123.89 1a28 h GLU 723 Ca 0.38 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.49 1a28 h GLU 723 Cb 0.39 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.89 1a28 h GLU 723 CO -0.27 0.19 0.19 0.00 -1.18 0.00 0.00 179.01 177.94 1a28 h ARG 724 N 0.29 1.05 -0.21 1.92 3.08 -0.62 -1.97 114.38 117.92 1a28 h ARG 724 Ca 0.08 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.81 1a28 h ARG 724 Cb -0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1a28 h ARG 724 CO -0.03 0.92 -0.26 1.96 -1.07 0.00 0.00 179.97 181.49 1a28 h GLN 725 N 0.97 0.39 -0.62 0.04 4.20 -0.40 -2.34 115.11 117.35 1a28 h GLN 725 Ca 0.21 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 1a28 h GLN 725 Cb 0.33 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1a28 h GLN 725 CO -0.00 0.62 0.11 1.25 -0.67 0.00 0.00 178.83 180.15 1a28 h LEU 726 N 0.35 0.97 -1.13 1.46 5.85 -0.13 0.18 115.31 122.85 1a28 h LEU 726 Ca 0.05 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1a28 h LEU 726 Cb 0.65 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1a28 h LEU 726 CO 0.05 0.97 0.43 -0.07 -0.34 0.00 0.00 178.44 179.48 1a28 h LEU 727 N 0.92 0.91 -0.63 2.25 3.38 -1.09 -1.74 115.31 119.31 1a28 h LEU 727 Ca 0.19 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1a28 h LEU 727 Cb 0.41 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1a28 h LEU 727 CO 0.01 0.72 -0.45 0.77 0.09 0.00 0.00 178.44 179.59 1a28 h SER 728 N 1.04 0.60 -0.64 -0.43 4.64 -0.85 -2.29 113.55 115.62 1a28 h SER 728 Ca 0.27 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1a28 h SER 728 Cb -0.00 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 61.89 1a28 h SER 728 CO -0.05 0.96 0.35 0.58 -0.87 0.00 0.00 176.83 177.81 1a28 h VAL 729 N 0.45 1.20 -0.17 0.95 2.07 -0.49 0.11 116.25 120.38 1a28 h VAL 729 Ca 0.03 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1a28 h VAL 729 Cb 0.96 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1a28 h VAL 729 CO 0.09 0.22 0.08 0.58 0.02 0.00 0.00 177.57 178.56 1a28 h VAL 730 N 0.88 1.14 -0.25 2.57 2.07 -1.14 0.02 116.25 121.54 1a28 h VAL 730 Ca 0.23 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.38 1a28 h VAL 730 Cb 0.05 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1a28 h VAL 730 CO -0.04 0.13 -0.03 0.50 0.02 0.00 0.00 177.57 178.16 1a28 h LYS 731 N 0.14 0.04 -0.54 1.57 1.63 -1.19 -2.29 116.57 115.93 1a28 h LYS 731 Ca 0.06 -0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.91 1a28 h LYS 731 Cb 0.14 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.71 1a28 h LYS 731 CO -0.01 0.03 0.26 2.35 -3.45 0.00 0.00 179.45 178.63 1a28 h TRP 732 N 0.04 0.47 0.00 1.91 7.01 -0.57 -2.15 115.95 122.66 1a28 h TRP 732 Ca 0.12 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 1a28 h TRP 732 Cb 0.16 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.09 1a28 h TRP 732 CO -0.22 0.21 -0.09 0.66 -2.79 0.00 0.00 178.44 176.20 1a28 h SER 733 N 0.49 0.00 1.15 2.65 4.64 -0.46 -0.30 113.55 121.73 1a28 h SER 733 Ca 0.25 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 1a28 h SER 733 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1a28 h SER 733 CO -0.19 0.09 -0.08 0.11 -0.87 0.00 0.00 176.83 175.89 1a28 h LYS 734 N 0.00 0.00 0.00 4.77 1.57 -0.89 -2.95 116.57 119.07 1a28 h LYS 734 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a28 h LYS 734 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1a28 h LYS 734 CO 0.01 0.08 -0.95 0.43 -0.57 0.00 0.00 179.45 178.46 1a28 n SER 735 N -3.19 0.87 -4.64 0.86 7.64 -0.26 -4.80 113.62 110.10 1a28 n SER 735 Ca 0.01 -0.90 -0.43 0.00 1.01 0.00 0.00 58.87 58.57 1a28 n SER 735 Cb 0.39 1.05 -0.02 0.00 -1.01 0.00 0.00 64.21 64.61 1a28 n SER 735 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1a28 s LEU 736 N -2.97 4.07 -0.15 -3.43 2.96 -0.39 -4.93 118.68 113.84 1a28 s LEU 736 Ca 0.06 1.76 -0.38 0.00 -0.22 0.00 0.00 54.13 55.36 1a28 s LEU 736 Cb 0.14 -3.53 -0.15 0.00 0.50 0.00 0.00 46.19 43.15 1a28 s LEU 736 CO 0.78 -1.04 1.70 -2.65 -1.32 0.00 0.00 176.35 173.82 1a28 n PRO 737 N 7.25 1.45 0.00 0.98 -0.02 -1.26 -1.84 135.00 141.57 1a28 n PRO 737 Ca 0.17 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1a28 n PRO 737 Cb 0.45 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1a28 n PRO 737 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a28 n GLY 738 N 3.92 2.87 0.13 -1.23 0.00 -1.26 -4.92 105.19 104.69 1a28 n GLY 738 Ca 0.24 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1a28 n GLY 738 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1a28 h PHE 739 N 0.00 0.33 0.00 1.61 3.57 -1.63 -2.44 116.94 118.37 1a28 h PHE 739 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1a28 h PHE 739 Cb 0.00 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1a28 h PHE 739 CO 0.00 0.21 0.00 2.89 -2.23 0.00 0.00 178.31 179.18 1a28 n ARG 740 N -4.90 0.15 0.00 1.11 1.85 -1.26 -1.50 116.66 112.10 1a28 n ARG 740 Ca -0.02 0.63 0.14 0.00 -1.00 0.00 0.00 57.85 57.59 1a28 n ARG 740 Cb 0.03 -1.97 0.49 0.00 -1.05 0.00 0.00 32.46 29.96 1a28 n ARG 740 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1a28 n ASN 741 N -2.29 0.81 -4.87 2.89 5.03 -0.92 -4.83 115.26 111.09 1a28 n ASN 741 Ca -0.01 -0.80 -0.31 0.00 0.87 0.00 0.00 54.58 54.33 1a28 n ASN 741 Cb 0.05 0.03 -0.03 0.00 -1.02 0.00 0.00 39.78 38.81 1a28 n ASN 741 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1a28 s LEU 742 N -2.45 3.79 0.40 3.41 1.43 -0.56 -5.00 118.68 119.69 1a28 s LEU 742 Ca 0.28 1.21 -0.26 0.00 -1.03 0.00 0.00 54.13 54.33 1a28 s LEU 742 Cb 0.20 -4.10 -0.11 0.00 0.03 0.00 0.00 46.19 42.21 1a28 s LEU 742 CO 0.48 -0.44 1.19 1.57 0.23 0.00 0.00 176.35 179.39 1a28 n HIS 743 N -1.37 1.86 -0.29 0.29 -0.00 -1.26 -4.75 115.22 109.70 1a28 n HIS 743 Ca 0.03 0.54 0.14 0.00 -0.00 0.00 0.00 57.72 58.43 1a28 n HIS 743 Cb 0.54 -2.34 0.39 0.00 -0.00 0.00 0.00 29.99 28.58 1a28 n HIS 743 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 1a28 h ILE 744 N 2.02 0.76 -0.39 3.57 6.09 -1.94 -0.36 117.51 127.26 1a28 h ILE 744 Ca -0.46 -0.22 -0.07 0.00 -1.37 0.00 0.00 64.86 62.73 1a28 h ILE 744 Cb 1.31 0.05 -0.02 0.00 0.47 0.00 0.00 36.82 38.63 1a28 h ILE 744 CO 0.60 0.12 -0.07 0.44 -3.07 0.00 0.00 178.15 176.17 1a28 h ASP 745 N 0.65 0.63 -0.13 2.19 3.32 -2.00 -1.80 116.42 119.28 1a28 h ASP 745 Ca 0.49 -0.16 -0.14 0.00 0.02 0.00 0.00 57.03 57.25 1a28 h ASP 745 Cb 0.88 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1a28 h ASP 745 CO -0.25 0.74 -0.40 0.44 -1.72 0.00 0.00 179.24 178.06 1a28 h ASP 746 N 0.60 0.70 -0.24 6.45 3.32 -1.43 -1.29 116.42 124.53 1a28 h ASP 746 Ca 0.11 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1a28 h ASP 746 Cb 0.48 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1a28 h ASP 746 CO 0.03 1.01 0.16 1.56 -1.72 0.00 0.00 179.24 180.28 1a28 h GLN 747 N 0.54 0.32 -0.38 3.56 4.20 -0.99 0.14 115.11 122.50 1a28 h GLN 747 Ca 0.05 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1a28 h GLN 747 Cb 0.92 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 1a28 h GLN 747 CO 0.08 0.23 0.16 0.82 -0.67 0.00 0.00 178.83 179.45 1a28 h ILE 748 N 0.32 1.19 -0.50 2.54 2.04 -1.28 -1.87 117.51 119.96 1a28 h ILE 748 Ca 0.09 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1a28 h ILE 748 Cb -0.02 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1a28 h ILE 748 CO -0.02 0.21 0.32 0.74 0.00 0.00 0.00 178.15 179.40 1a28 h THR 749 N 0.48 1.14 -0.75 -0.27 2.02 -0.93 -0.46 112.91 114.14 1a28 h THR 749 Ca 0.13 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 1a28 h THR 749 Cb 0.18 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1a28 h THR 749 CO -0.01 0.13 0.31 -0.07 0.37 0.00 0.00 175.52 176.25 1a28 h LEU 750 N 0.67 1.01 -0.44 2.58 3.38 -0.51 0.44 115.31 122.44 1a28 h LEU 750 Ca 0.18 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1a28 h LEU 750 Cb -0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1a28 h LEU 750 CO -0.04 0.88 -0.20 0.40 0.09 0.00 0.00 178.44 179.58 1a28 h ILE 751 N 1.08 1.27 -0.09 1.22 2.04 -1.04 -1.47 117.51 120.52 1a28 h ILE 751 Ca 0.25 -1.35 -0.06 0.00 1.00 0.00 0.00 64.86 64.70 1a28 h ILE 751 Cb 0.18 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1a28 h ILE 751 CO -0.02 0.46 -0.21 1.56 0.00 0.00 0.00 178.15 179.94 1a28 h GLN 752 N 0.74 0.16 0.11 2.37 4.20 -0.61 -1.38 115.11 120.70 1a28 h GLN 752 Ca 0.10 -0.04 -0.27 0.00 0.06 0.00 0.00 58.65 58.50 1a28 h GLN 752 Cb 0.77 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1a28 h GLN 752 CO 0.06 0.37 -1.19 1.88 -0.67 0.00 0.00 178.83 179.28 1a28 h TYR 753 N 0.15 0.52 -0.01 2.96 0.05 -0.76 -3.40 116.97 116.48 1a28 h TYR 753 Ca 0.03 -0.36 0.00 0.00 0.05 0.00 0.00 58.73 58.44 1a28 h TYR 753 Cb 0.46 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.17 1a28 h TYR 753 CO 0.00 1.26 -0.35 -1.13 -1.05 0.00 0.00 178.16 176.90 1a28 n SER 754 N -3.58 1.67 -0.29 3.88 3.41 -0.57 -4.69 113.62 113.46 1a28 n SER 754 Ca -0.08 -1.33 0.08 0.00 -0.26 0.00 0.00 58.87 57.27 1a28 n SER 754 Cb 0.99 0.47 0.23 0.00 -0.26 0.00 0.00 64.21 65.64 1a28 n SER 754 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1a28 h TRP 755 N 1.86 0.66 -0.71 7.33 5.08 -1.47 -0.57 115.95 128.13 1a28 h TRP 755 Ca 0.00 0.04 -0.05 0.00 1.08 0.00 0.00 58.89 59.95 1a28 h TRP 755 Cb 0.57 -0.17 -0.03 0.00 -3.00 0.00 0.00 29.16 26.53 1a28 h TRP 755 CO 0.00 0.09 0.24 1.98 -1.28 0.00 0.00 178.44 179.47 1a28 h MET 756 N 0.52 1.10 -0.25 0.12 4.05 -1.88 -0.73 114.93 117.86 1a28 h MET 756 Ca 0.47 -0.23 -0.03 0.00 -0.28 0.00 0.00 59.70 59.63 1a28 h MET 756 Cb 0.74 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.36 1a28 h MET 756 CO -0.41 0.94 0.04 0.66 0.23 0.00 0.00 176.91 178.36 1a28 h SER 757 N 1.05 0.40 -0.82 1.39 4.64 -1.59 -0.62 113.55 117.99 1a28 h SER 757 Ca 0.23 -0.26 0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1a28 h SER 757 Cb 0.28 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.23 1a28 h SER 757 CO -0.01 0.56 0.54 -0.07 -0.87 0.00 0.00 176.83 176.98 1a28 h LEU 758 N 0.22 0.93 -0.43 5.97 3.38 -0.94 -1.57 115.31 122.87 1a28 h LEU 758 Ca 0.07 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 1a28 h LEU 758 Cb 0.34 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1a28 h LEU 758 CO 0.01 0.67 -0.68 0.24 0.09 0.00 0.00 178.44 178.77 1a28 h MET 759 N 1.10 0.46 -0.01 1.13 2.86 -0.89 -0.87 114.93 118.72 1a28 h MET 759 Ca 0.30 -0.35 -0.15 0.00 -2.06 0.00 0.00 59.70 57.44 1a28 h MET 759 Cb -0.12 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1a28 h MET 759 CO -0.07 0.98 -0.69 -0.24 1.06 0.00 0.00 176.91 177.95 1a28 h VAL 760 N 0.33 1.48 -0.39 -2.22 3.04 -1.02 -0.09 116.25 117.39 1a28 h VAL 760 Ca -0.02 -2.33 -0.13 0.00 -1.01 0.00 0.00 66.70 63.21 1a28 h VAL 760 Cb 1.25 2.25 -0.01 0.00 -2.01 0.00 0.00 31.29 32.77 1a28 h VAL 760 CO 0.12 0.67 -0.26 0.15 -1.01 0.00 0.00 177.57 177.24 1a28 h PHE 761 N 0.02 1.00 -0.56 3.17 3.57 -1.17 -1.00 116.94 121.98 1a28 h PHE 761 Ca -0.01 -0.27 -0.05 0.00 3.53 0.00 0.00 57.97 61.17 1a28 h PHE 761 Cb 1.22 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 1a28 h PHE 761 CO 0.00 1.06 0.15 0.78 -2.23 0.00 0.00 178.31 178.07 1a28 h GLY 762 N 0.66 0.95 0.79 2.40 0.00 -0.96 -1.42 103.07 105.48 1a28 h GLY 762 Ca 0.08 -0.59 0.05 0.00 0.00 0.00 0.00 47.33 46.86 1a28 h GLY 762 CO 0.07 0.55 0.46 -2.00 0.00 0.00 0.00 176.54 175.61 1a28 h LEU 763 N 0.79 0.72 -0.42 3.11 5.85 -0.84 -0.59 115.31 123.94 1a28 h LEU 763 Ca 0.18 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1a28 h LEU 763 Cb 0.33 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1a28 h LEU 763 CO 0.00 0.48 0.27 1.23 -0.34 0.00 0.00 178.44 180.08 1a28 h GLY 764 N 0.86 0.59 0.91 3.75 0.00 -0.72 -1.29 103.07 107.17 1a28 h GLY 764 Ca 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1a28 h GLY 764 CO -0.14 0.22 0.11 -0.25 0.00 0.00 0.00 176.54 176.48 1a28 h TRP 765 N 0.56 0.39 -0.54 5.60 2.91 -0.61 -0.77 115.95 123.50 1a28 h TRP 765 Ca 0.15 -0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.11 1a28 h TRP 765 Cb -0.04 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 28.46 1a28 h TRP 765 CO -0.04 0.40 0.19 0.00 -1.03 0.00 0.00 178.44 177.96 1a28 h ARG 766 N 0.27 0.79 -0.19 2.65 3.08 -0.97 -0.09 114.38 119.93 1a28 h ARG 766 Ca 0.09 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1a28 h ARG 766 Cb 0.17 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1a28 h ARG 766 CO -0.01 0.67 -0.10 0.77 -1.07 0.00 0.00 179.97 180.23 1a28 h SER 767 N 0.78 0.42 -0.86 7.04 0.02 -1.03 -0.79 113.55 119.12 1a28 h SER 767 Ca 0.18 -0.41 0.03 0.00 -0.84 0.00 0.00 61.79 60.75 1a28 h SER 767 Cb 0.19 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 1a28 h SER 767 CO -0.01 0.74 0.56 0.22 -1.14 0.00 0.00 176.83 177.19 1a28 h TYR 768 N 0.09 1.05 0.00 3.45 3.20 -0.81 0.18 116.97 124.13 1a28 h TYR 768 Ca 0.04 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.80 1a28 h TYR 768 Cb 0.58 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1a28 h TYR 768 CO 0.06 0.62 -1.07 -0.22 -1.64 0.00 0.00 178.16 175.91 1a28 h LYS 769 N 1.10 0.00 0.00 1.82 3.64 -0.95 -3.25 116.57 118.94 1a28 h LYS 769 Ca 0.34 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.41 1a28 h LYS 769 Cb -0.03 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 1a28 h LYS 769 CO -0.10 0.36 -2.15 0.72 -2.27 0.00 0.00 179.45 176.01 1a28 n HIS 770 N -3.01 0.00 -1.84 1.91 8.25 -0.31 -4.67 115.22 115.56 1a28 n HIS 770 Ca -0.05 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.46 1a28 n HIS 770 Cb 0.79 -0.81 0.15 0.00 1.12 0.00 0.00 29.99 31.24 1a28 n HIS 770 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1a28 n VAL 771 N -2.74 1.55 -1.90 1.59 0.24 -0.72 -4.96 118.33 111.40 1a28 n VAL 771 Ca -0.29 -2.54 -0.17 0.00 -2.04 0.00 0.00 64.34 59.30 1a28 n VAL 771 Cb 1.00 0.12 -0.04 0.00 -1.47 0.00 0.00 33.84 33.45 1a28 n VAL 771 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1a28 n SER 772 N -0.66 -4.60 0.00 -1.34 7.64 -1.15 -1.08 113.62 112.42 1a28 n SER 772 Ca 0.15 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1a28 n SER 772 Cb 0.82 -4.03 0.00 0.00 -1.01 0.00 0.00 64.21 59.99 1a28 n SER 772 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a28 n GLY 773 N -0.58 0.40 1.40 0.23 0.00 0.54 -4.88 105.19 102.30 1a28 n GLY 773 Ca -0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.95 1a28 n GLY 773 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a28 n GLN 774 N -1.89 2.94 -3.74 1.61 1.13 -0.24 -4.64 117.38 112.55 1a28 n GLN 774 Ca 0.00 -2.65 -0.10 0.00 -1.94 0.00 0.00 57.00 52.31 1a28 n GLN 774 Cb 0.12 -1.65 -0.06 0.00 0.11 0.00 0.00 30.24 28.77 1a28 n GLN 774 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1a28 s MET 775 N -1.25 1.02 -0.41 -1.09 -1.94 -1.26 -4.49 119.30 109.88 1a28 s MET 775 Ca 0.49 -0.84 -0.18 0.00 -1.71 0.00 0.00 55.69 53.45 1a28 s MET 775 Cb 0.27 0.42 0.02 0.00 2.01 0.00 0.00 34.83 37.55 1a28 s MET 775 CO 0.31 -0.38 0.50 -0.51 -0.01 0.00 0.00 175.02 174.93 1a28 s LEU 776 N -2.84 4.66 -1.17 -0.03 1.43 -0.22 -4.73 118.68 115.78 1a28 s LEU 776 Ca 0.05 -0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 52.60 1a28 s LEU 776 Cb 0.03 -2.51 0.23 0.00 0.03 0.00 0.00 46.19 43.97 1a28 s LEU 776 CO -0.10 -0.61 1.44 0.00 0.23 0.00 0.00 176.35 177.31 1a28 n TYR 777 N 5.79 4.08 -0.22 0.29 4.19 -1.26 -1.18 117.16 128.85 1a28 n TYR 777 Ca -0.05 -3.25 -0.08 0.00 3.31 0.00 0.00 57.90 57.83 1a28 n TYR 777 Cb 0.48 -1.79 0.03 0.00 0.49 0.00 0.00 39.34 38.55 1a28 n TYR 777 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 1a28 h PHE 778 N 6.34 1.02 -2.76 2.98 0.04 -1.79 -3.41 116.94 119.36 1a28 h PHE 778 Ca 0.27 -0.11 0.08 0.00 2.80 0.00 0.00 57.97 61.01 1a28 h PHE 778 Cb 0.77 -0.29 -0.08 0.00 2.20 0.00 0.00 35.95 38.54 1a28 h PHE 778 CO 1.01 0.84 0.32 0.00 -0.60 0.00 0.00 178.31 179.87 1a28 s ALA 779 N -5.39 -1.48 0.57 2.45 0.00 -0.99 -4.95 121.76 111.97 1a28 s ALA 779 Ca -0.13 0.12 0.25 0.00 0.00 0.00 0.00 51.96 52.20 1a28 s ALA 779 Cb 0.13 0.76 1.62 0.00 0.00 0.00 0.00 23.12 25.64 1a28 s ALA 779 CO 0.82 -0.94 2.21 -1.35 0.00 0.00 0.00 175.76 176.49 1a28 h PRO 780 N 2.00 0.00 -0.53 0.00 0.11 -1.91 -1.49 132.00 130.19 1a28 h PRO 780 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1a28 h PRO 780 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1a28 h PRO 780 CO 0.28 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.67 1a28 n ASP 781 N -4.09 3.73 -3.12 -2.05 5.75 -1.26 -4.67 116.55 110.83 1a28 n ASP 781 Ca -0.03 -2.18 -0.18 0.00 -0.01 0.00 0.00 54.79 52.40 1a28 n ASP 781 Cb 0.11 -0.41 -0.05 0.00 -1.03 0.00 0.00 41.12 39.73 1a28 n ASP 781 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1a28 n LEU 782 N 0.93 -1.63 -4.36 -2.12 7.94 -0.56 -4.60 117.00 112.60 1a28 n LEU 782 Ca 0.20 -3.82 -0.33 0.00 -1.11 0.00 0.00 56.01 50.94 1a28 n LEU 782 Cb 0.63 0.64 -0.15 0.00 0.53 0.00 0.00 43.42 45.07 1a28 n LEU 782 CO 0.15 1.91 -0.45 -0.63 -1.11 0.00 0.00 177.39 177.25 1a28 s ILE 783 N 0.30 2.98 -0.30 1.96 1.01 -1.24 -2.26 121.20 123.65 1a28 s ILE 783 Ca 0.32 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1a28 s ILE 783 Cb 0.04 -2.25 0.05 0.00 0.01 0.00 0.00 42.46 40.32 1a28 s ILE 783 CO -0.14 0.53 -0.01 -0.76 0.00 0.00 0.00 174.94 174.56 1a28 s LEU 784 N 0.37 3.89 0.82 2.97 1.43 -0.33 -4.96 118.68 122.88 1a28 s LEU 784 Ca -0.11 -1.31 -0.12 0.00 -1.03 0.00 0.00 54.13 51.56 1a28 s LEU 784 Cb -0.16 -1.70 0.09 0.00 0.03 0.00 0.00 46.19 44.45 1a28 s LEU 784 CO 0.06 -0.26 1.19 0.54 0.23 0.00 0.00 176.35 178.10 1a28 s ASN 785 N 1.25 4.40 0.28 2.29 2.20 -1.26 -1.06 114.94 123.04 1a28 s ASN 785 Ca -0.05 0.74 0.01 0.00 -0.94 0.00 0.00 52.86 52.62 1a28 s ASN 785 Cb -0.20 -1.19 0.56 0.00 -2.00 0.00 0.00 41.25 38.41 1a28 s ASN 785 CO -0.02 -1.97 1.83 -0.08 -2.94 0.00 0.00 177.10 173.93 1a28 h GLU 786 N -1.10 0.95 -0.94 3.55 4.81 -1.99 -0.20 114.58 119.67 1a28 h GLU 786 Ca -0.46 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1a28 h GLU 786 Cb 1.32 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.44 1a28 h GLU 786 CO 0.64 0.63 0.57 0.37 -0.73 0.00 0.00 179.01 180.49 1a28 h GLN 787 N 0.98 1.27 -0.23 1.92 5.75 -1.98 0.18 115.11 123.00 1a28 h GLN 787 Ca 0.50 -0.11 -0.12 0.00 -0.15 0.00 0.00 58.65 58.76 1a28 h GLN 787 Cb 0.50 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 1a28 h GLN 787 CO -0.27 0.89 -0.37 -0.09 -2.65 0.00 0.00 178.83 176.34 1a28 h ARG 788 N 1.29 0.52 -0.30 1.69 2.43 -1.45 -2.32 114.38 116.25 1a28 h ARG 788 Ca 0.34 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1a28 h ARG 788 Cb -0.06 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1a28 h ARG 788 CO -0.06 0.81 0.14 0.52 -1.51 0.00 0.00 179.97 179.87 1a28 h MET 789 N 0.44 0.44 -0.27 0.20 2.86 -0.14 -2.58 114.93 115.88 1a28 h MET 789 Ca 0.04 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1a28 h MET 789 Cb 0.84 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1a28 h MET 789 CO 0.07 0.43 0.18 -0.22 1.06 0.00 0.00 176.91 178.43 1a28 h LYS 790 N 0.35 0.35 -0.59 1.72 3.64 -0.37 -1.74 116.57 119.93 1a28 h LYS 790 Ca 0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1a28 h LYS 790 Cb 0.14 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1a28 h LYS 790 CO -0.01 0.23 0.00 0.39 -2.27 0.00 0.00 179.45 177.79 1a28 n GLU 791 N -4.50 2.74 0.12 1.90 1.02 -0.90 -4.55 120.64 116.47 1a28 n GLU 791 Ca 0.01 -2.04 -0.19 0.00 -0.02 0.00 0.00 57.16 54.92 1a28 n GLU 791 Cb 0.07 -1.62 -0.15 0.00 -0.02 0.00 0.00 31.44 29.72 1a28 n GLU 791 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1a28 h SER 792 N 3.06 0.58 0.00 1.62 4.64 -0.92 -3.48 113.55 119.04 1a28 h SER 792 Ca 0.00 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1a28 h SER 792 Cb 0.99 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1a28 h SER 792 CO 0.11 1.50 0.00 -1.54 -0.87 0.00 0.00 176.83 176.03 1a28 n SER 793 N -3.59 0.00 -2.50 4.97 3.41 -1.26 -4.33 113.62 110.32 1a28 n SER 793 Ca -0.12 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.36 1a28 n SER 793 Cb 1.06 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 65.04 1a28 n SER 793 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1a28 n PHE 794 N -1.36 2.03 -0.22 7.33 -1.74 -1.26 -4.89 117.46 117.34 1a28 n PHE 794 Ca 0.00 -2.44 0.03 0.00 -0.56 0.00 0.00 57.45 54.48 1a28 n PHE 794 Cb 0.00 -0.27 0.14 0.00 1.52 0.00 0.00 39.48 40.87 1a28 n PHE 794 CO 0.00 0.00 0.00 -0.92 -0.56 0.00 0.00 176.76 175.28 1a28 h TYR 795 N 2.54 0.28 -0.85 2.97 3.20 -1.87 -1.23 116.97 122.01 1a28 h TYR 795 Ca 0.09 0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.01 1a28 h TYR 795 Cb 1.28 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.49 1a28 h TYR 795 CO 0.66 -0.03 0.56 0.66 -1.64 0.00 0.00 178.16 178.37 1a28 h SER 796 N 0.30 0.96 -0.38 -2.11 4.64 -1.90 0.02 113.55 115.08 1a28 h SER 796 Ca 0.36 -0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.50 1a28 h SER 796 Cb 0.55 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1a28 h SER 796 CO -0.43 0.69 -0.38 0.25 -0.87 0.00 0.00 176.83 176.09 1a28 h LEU 797 N 1.13 1.00 -0.39 5.97 5.85 -1.70 -1.89 115.31 125.28 1a28 h LEU 797 Ca 0.32 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1a28 h LEU 797 Cb -0.09 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.63 1a28 h LEU 797 CO -0.08 1.25 0.20 0.00 -0.34 0.00 0.00 178.44 179.47 1a28 h LEU 799 N 0.40 1.05 -0.76 0.00 3.38 -0.88 0.11 115.31 118.61 1a28 h LEU 799 Ca 0.16 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1a28 h LEU 799 Cb 0.06 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1a28 h LEU 799 CO -0.11 0.83 0.48 0.74 0.09 0.00 0.00 178.44 180.47 1a28 h THR 800 N 1.19 1.10 -0.15 0.22 2.02 -0.71 -2.42 112.91 114.16 1a28 h THR 800 Ca 0.31 -0.32 -0.20 0.00 0.77 0.00 0.00 66.41 66.97 1a28 h THR 800 Cb -0.01 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1a28 h THR 800 CO -0.05 0.17 -0.71 0.24 0.37 0.00 0.00 175.52 175.54 1a28 h MET 801 N 0.92 0.67 0.00 6.66 2.86 -0.77 -3.14 114.93 122.13 1a28 h MET 801 Ca 0.31 -0.51 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1a28 h MET 801 Cb 0.04 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1a28 h MET 801 CO -0.12 1.13 0.00 2.35 1.06 0.00 0.00 176.91 181.33 1a28 h TRP 802 N 0.47 0.00 0.00 -0.22 7.01 -0.32 -2.03 115.95 120.86 1a28 h TRP 802 Ca -0.03 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.93 1a28 h TRP 802 Cb 1.31 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.36 1a28 h TRP 802 CO 0.07 0.00 -0.17 1.96 -2.79 0.00 0.00 178.44 177.51 1a28 h GLN 803 N 0.00 0.00 0.09 2.65 4.20 -1.43 -3.12 115.11 117.50 1a28 h GLN 803 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1a28 h GLN 803 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1a28 h GLN 803 CO 0.00 0.17 -0.04 0.82 -0.67 0.00 0.00 178.83 179.11 1a28 h ILE 804 N 0.00 1.13 0.00 2.54 2.04 -1.58 -2.46 117.51 119.18 1a28 h ILE 804 Ca -0.00 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 1a28 h ILE 804 Cb 0.40 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1a28 h ILE 804 CO 0.02 0.21 -0.19 1.55 0.00 0.00 0.00 178.15 179.74 1a28 h PRO 805 N -0.52 0.00 0.00 2.37 0.13 -1.75 -0.79 132.00 131.43 1a28 h PRO 805 Ca -0.01 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.06 1a28 h PRO 805 Cb 0.44 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 1a28 h PRO 805 CO 0.02 0.19 -0.29 1.96 -0.23 0.00 0.00 178.00 179.66 1a28 h GLN 806 N 0.00 0.00 0.05 0.86 1.08 -1.49 -0.79 115.11 114.81 1a28 h GLN 806 Ca -0.00 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.96 1a28 h GLN 806 Cb 0.34 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 1a28 h GLN 806 CO 0.03 0.29 -1.12 1.49 -0.95 0.00 0.00 178.83 178.56 1a28 h GLU 807 N 0.00 0.10 -0.39 1.46 4.57 -0.69 -2.11 114.58 117.52 1a28 h GLU 807 Ca -0.00 -0.17 -0.13 0.00 -1.18 0.00 0.00 59.36 57.88 1a28 h GLU 807 Cb 0.64 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1a28 h GLU 807 CO 0.04 1.06 -0.26 0.74 -1.18 0.00 0.00 179.01 179.41 1a28 h PHE 808 N 0.03 0.93 -0.01 0.92 0.04 -0.66 -0.46 116.94 117.72 1a28 h PHE 808 Ca -0.07 -0.23 -0.00 0.00 2.80 0.00 0.00 57.97 60.47 1a28 h PHE 808 Cb 1.85 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 39.79 1a28 h PHE 808 CO 0.02 0.98 0.01 0.28 -0.60 0.00 0.00 178.31 179.00 1a28 h VAL 809 N 0.69 1.09 -0.50 -0.55 2.07 -1.13 0.13 116.25 118.05 1a28 h VAL 809 Ca 0.09 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1a28 h VAL 809 Cb 0.79 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1a28 h VAL 809 CO 0.07 0.07 0.30 0.50 0.02 0.00 0.00 177.57 178.53 1a28 h LYS 810 N -0.10 0.58 -0.00 1.57 3.64 -1.18 -2.68 116.57 118.41 1a28 h LYS 810 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1a28 h LYS 810 Cb 0.11 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1a28 h LYS 810 CO -0.00 0.38 -0.25 1.28 -2.27 0.00 0.00 179.45 178.59 1a28 n LEU 811 N -4.80 0.42 -3.78 5.20 4.77 -0.20 -4.95 117.00 113.66 1a28 n LEU 811 Ca 0.03 0.10 -0.24 0.00 -0.03 0.00 0.00 56.01 55.87 1a28 n LEU 811 Cb 0.07 -0.28 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1a28 n LEU 811 CO 0.32 0.09 -0.02 0.00 -1.33 0.00 0.00 177.39 176.46 1a28 n GLN 812 N -1.28 -5.07 -1.70 3.23 6.02 0.43 -4.85 117.38 114.15 1a28 n GLN 812 Ca 0.09 0.61 -0.44 0.00 -0.01 0.00 0.00 57.00 57.25 1a28 n GLN 812 Cb 0.32 -5.25 -0.02 0.00 1.02 0.00 0.00 30.24 26.30 1a28 n GLN 812 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1a28 n VAL 813 N -4.42 0.84 -2.87 5.09 0.31 -1.08 -4.98 118.33 111.23 1a28 n VAL 813 Ca -0.19 -0.21 -0.25 0.00 -0.01 0.00 0.00 64.34 63.68 1a28 n VAL 813 Cb 0.63 -1.65 0.01 0.00 -0.91 0.00 0.00 33.84 31.91 1a28 n VAL 813 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1a28 s SER 814 N 0.45 6.02 0.44 4.52 1.04 -1.26 -4.95 113.70 119.96 1a28 s SER 814 Ca 0.68 0.59 0.10 0.00 0.48 0.00 0.00 55.95 57.80 1a28 s SER 814 Cb -0.60 -1.89 0.96 0.00 0.10 0.00 0.00 66.02 64.59 1a28 s SER 814 CO 0.47 -0.63 2.06 -0.61 0.98 0.00 0.00 173.24 175.51 1a28 h GLN 815 N 0.33 0.33 -0.34 4.02 4.15 -1.99 -1.82 115.11 119.79 1a28 h GLN 815 Ca -0.47 -0.03 -0.17 0.00 0.77 0.00 0.00 58.65 58.75 1a28 h GLN 815 Cb 1.23 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 1a28 h GLN 815 CO 0.60 0.26 -0.43 0.93 -1.93 0.00 0.00 178.83 178.26 1a28 h GLU 816 N 0.34 0.90 -0.37 1.69 3.07 -1.94 -2.20 114.58 116.07 1a28 h GLU 816 Ca 0.09 -0.51 -0.16 0.00 -0.50 0.00 0.00 59.36 58.28 1a28 h GLU 816 Cb 0.04 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1a28 h GLU 816 CO -0.01 1.16 -0.39 0.93 -1.40 0.00 0.00 179.01 179.29 1a28 h GLU 817 N 0.71 0.91 -0.28 2.33 5.08 -1.76 -3.12 114.58 118.44 1a28 h GLU 817 Ca 0.04 -0.48 0.04 0.00 -1.00 0.00 0.00 59.36 57.96 1a28 h GLU 817 Cb 1.03 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 1a28 h GLU 817 CO 0.10 1.14 0.06 0.35 -1.00 0.00 0.00 179.01 179.66 1a28 h PHE 818 N 0.74 0.11 -0.90 4.33 3.57 -1.30 -0.65 116.94 122.84 1a28 h PHE 818 Ca 0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1a28 h PHE 818 Cb 0.98 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 1a28 h PHE 818 CO 0.06 0.03 0.52 -0.07 -2.23 0.00 0.00 178.31 176.62 1a28 h LEU 819 N 0.17 1.10 -0.24 0.59 3.38 -1.39 0.94 115.31 119.86 1a28 h LEU 819 Ca 0.13 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1a28 h LEU 819 Cb 0.13 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1a28 h LEU 819 CO -0.17 0.86 -0.36 0.00 0.09 0.00 0.00 178.44 178.86 1a28 h MET 821 N 0.37 0.81 -0.45 0.00 2.86 -0.79 -1.22 114.93 116.51 1a28 h MET 821 Ca 0.02 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1a28 h MET 821 Cb 0.95 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1a28 h MET 821 CO 0.08 0.68 -0.01 -0.22 1.06 0.00 0.00 176.91 178.51 1a28 h LYS 822 N 0.79 0.74 -0.41 1.72 3.64 -0.78 -1.37 116.57 120.90 1a28 h LYS 822 Ca 0.18 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 1a28 h LYS 822 Cb 0.20 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1a28 h LYS 822 CO -0.01 0.75 -0.24 0.28 -2.27 0.00 0.00 179.45 177.96 1a28 h VAL 823 N 0.69 1.27 -0.11 2.00 2.07 -1.21 -2.47 116.25 118.50 1a28 h VAL 823 Ca 0.14 -1.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.24 1a28 h VAL 823 Cb 0.44 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1a28 h VAL 823 CO 0.02 0.46 -0.11 -0.07 0.02 0.00 0.00 177.57 177.89 1a28 h LEU 824 N 0.72 0.16 -0.65 2.57 3.38 -0.61 -2.03 115.31 118.84 1a28 h LEU 824 Ca 0.09 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1a28 h LEU 824 Cb 0.77 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1a28 h LEU 824 CO 0.06 0.30 0.15 -0.07 0.09 0.00 0.00 178.44 178.97 1a28 h LEU 825 N 0.17 1.00 -2.02 1.67 3.38 -0.80 -1.20 115.31 117.50 1a28 h LEU 825 Ca 0.04 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1a28 h LEU 825 Cb 0.31 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1a28 h LEU 825 CO 0.02 0.98 0.02 0.25 0.09 0.00 0.00 178.44 179.80 1a28 h LEU 826 N 0.97 0.00 -3.47 1.67 5.85 -1.16 -2.38 115.31 116.80 1a28 h LEU 826 Ca 0.20 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.71 1a28 h LEU 826 Cb 0.38 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.28 1a28 h LEU 826 CO 0.00 0.00 0.08 0.18 -0.34 0.00 0.00 178.44 178.36 1a28 n LEU 827 N -4.50 4.66 -0.86 2.25 4.77 -0.67 -4.68 117.00 117.97 1a28 n LEU 827 Ca -0.02 -3.59 0.12 0.00 -0.03 0.00 0.00 56.01 52.48 1a28 n LEU 827 Cb 0.12 -0.66 0.25 0.00 -2.33 0.00 0.00 43.42 40.79 1a28 n LEU 827 CO 0.34 1.10 0.71 -3.20 -1.33 0.00 0.00 177.39 175.01 1a28 n ASN 828 N -0.97 2.64 -3.76 -1.43 4.05 -0.54 -4.90 115.26 110.36 1a28 n ASN 828 Ca 0.36 -1.86 -0.12 0.00 0.45 0.00 0.00 54.58 53.41 1a28 n ASN 828 Cb 1.15 -0.07 -0.12 0.00 1.23 0.00 0.00 39.78 41.97 1a28 n ASN 828 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1a28 s THR 829 N -1.86 -0.02 0.17 -0.44 2.01 -1.26 0.17 115.64 114.41 1a28 s THR 829 Ca 0.33 0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.44 1a28 s THR 829 Cb 0.21 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 72.30 1a28 s THR 829 CO 0.31 0.03 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.55 1a28 s ILE 830 N 0.65 1.19 1.03 1.82 -1.09 -0.30 -4.89 121.20 119.60 1a28 s ILE 830 Ca -0.04 -2.07 -0.12 0.00 -2.23 0.00 0.00 60.65 56.19 1a28 s ILE 830 Cb -0.06 -1.97 0.21 0.00 -1.58 0.00 0.00 42.46 39.06 1a28 s ILE 830 CO -0.04 -0.64 1.08 -2.84 -1.23 0.00 0.00 174.94 171.26 1a28 s PRO 831 N -3.76 0.15 0.34 2.79 0.02 -1.26 0.52 135.00 133.79 1a28 s PRO 831 Ca 0.20 1.02 0.06 0.00 0.02 0.00 0.00 61.00 62.30 1a28 s PRO 831 Cb 0.03 -1.67 0.60 0.00 0.02 0.00 0.00 34.50 33.49 1a28 s PRO 831 CO 0.03 -3.06 1.84 -0.07 -0.33 0.00 0.00 177.00 175.41 1a28 h LEU 832 N -2.15 0.39 -0.82 -5.54 3.38 -1.86 -2.05 115.31 106.66 1a28 h LEU 832 Ca -0.53 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1a28 h LEU 832 Cb 1.30 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1a28 h LEU 832 CO 0.49 0.55 0.00 -0.62 0.09 0.00 0.00 178.44 178.95 1a28 n GLU 833 N -4.22 1.53 -0.21 1.13 4.71 -1.26 -4.99 120.64 117.33 1a28 n GLU 833 Ca 0.00 -0.81 0.03 0.00 -0.01 0.00 0.00 57.16 56.37 1a28 n GLU 833 Cb 0.31 -1.31 -0.01 0.00 -1.01 0.00 0.00 31.44 29.42 1a28 n GLU 833 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1a28 n GLY 834 N 0.99 -1.47 3.96 0.62 0.00 -0.77 -4.95 105.19 103.58 1a28 n GLY 834 Ca 0.13 -1.48 -0.22 0.00 0.00 0.00 0.00 46.02 44.46 1a28 n GLY 834 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a28 s LEU 835 N -3.14 3.66 0.27 0.99 1.43 -1.26 -4.49 118.68 116.14 1a28 s LEU 835 Ca 0.00 0.14 0.11 0.00 -1.03 0.00 0.00 54.13 53.36 1a28 s LEU 835 Cb 0.00 -3.04 0.34 0.00 0.03 0.00 0.00 46.19 43.52 1a28 s LEU 835 CO 0.00 -0.71 1.59 0.03 0.23 0.00 0.00 176.35 177.49 1a28 h ARG 836 N 0.45 0.00 -1.50 1.70 3.08 -1.96 -3.05 114.38 113.10 1a28 h ARG 836 Ca -0.45 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 58.94 1a28 h ARG 836 Cb 1.26 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.96 1a28 h ARG 836 CO 0.55 0.62 0.13 0.43 -1.07 0.00 0.00 179.97 180.64 1a28 n SER 837 N -3.72 6.19 -0.34 7.04 7.64 -1.26 -4.82 113.62 124.35 1a28 n SER 837 Ca -0.01 -3.78 0.07 0.00 1.01 0.00 0.00 58.87 56.16 1a28 n SER 837 Cb 0.64 -0.73 0.23 0.00 -1.01 0.00 0.00 64.21 63.33 1a28 n SER 837 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1a28 h GLN 838 N 2.58 0.87 -0.15 1.43 5.75 -1.93 -0.35 115.11 123.32 1a28 h GLN 838 Ca 0.45 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.89 1a28 h GLN 838 Cb 0.68 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 1a28 h GLN 838 CO 1.16 0.58 0.05 1.15 -2.65 0.00 0.00 178.83 179.12 1a28 h THR 839 N 0.90 1.17 -0.24 2.39 2.02 -1.90 -0.88 112.91 116.37 1a28 h THR 839 Ca 0.48 -0.52 -0.06 0.00 0.77 0.00 0.00 66.41 67.08 1a28 h THR 839 Cb 0.52 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1a28 h THR 839 CO -0.28 0.16 -0.11 1.56 0.37 0.00 0.00 175.52 177.22 1a28 h GLN 840 N 0.07 0.39 0.08 6.66 7.50 -1.85 -2.27 115.11 125.69 1a28 h GLN 840 Ca 0.05 -0.10 -0.00 0.00 0.50 0.00 0.00 58.65 59.10 1a28 h GLN 840 Cb 0.20 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.69 1a28 h GLN 840 CO -0.00 0.50 -0.04 0.35 -1.50 0.00 0.00 178.83 178.14 1a28 h PHE 841 N 0.37 -0.10 -0.73 2.96 3.57 -0.79 -0.80 116.94 121.41 1a28 h PHE 841 Ca 0.07 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.62 1a28 h PHE 841 Cb 0.42 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 1a28 h PHE 841 CO 0.01 0.10 0.44 0.93 -2.23 0.00 0.00 178.31 177.56 1a28 h GLU 842 N -0.28 0.81 -0.61 1.11 4.39 -0.90 0.25 114.58 119.35 1a28 h GLU 842 Ca -0.01 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1a28 h GLU 842 Cb 0.24 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1a28 h GLU 842 CO 0.02 0.54 0.29 0.93 -1.16 0.00 0.00 179.01 179.63 1a28 h GLU 843 N 0.84 0.89 -0.19 2.33 5.08 -1.30 0.16 114.58 122.39 1a28 h GLU 843 Ca 0.31 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1a28 h GLU 843 Cb 0.11 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1a28 h GLU 843 CO -0.15 0.72 -0.03 1.98 -1.00 0.00 0.00 179.01 180.52 1a28 h MET 844 N 0.84 0.37 -0.49 2.33 4.05 -0.42 0.38 114.93 121.98 1a28 h MET 844 Ca 0.21 -0.13 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 1a28 h MET 844 Cb 0.12 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 1a28 h MET 844 CO -0.03 0.61 0.22 -0.09 0.23 0.00 0.00 176.91 177.86 1a28 h ARG 845 N 0.09 0.72 -0.88 0.39 2.43 -0.40 -1.38 114.38 115.34 1a28 h ARG 845 Ca 0.05 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1a28 h ARG 845 Cb 0.47 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 1a28 h ARG 845 CO 0.02 0.61 0.55 0.77 -1.51 0.00 0.00 179.97 180.41 1a28 h SER 846 N 0.65 1.05 -0.56 -3.80 0.02 -0.55 -1.39 113.55 108.97 1a28 h SER 846 Ca 0.17 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1a28 h SER 846 Cb 0.14 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1a28 h SER 846 CO -0.02 0.79 0.35 -1.28 -1.14 0.00 0.00 176.83 175.54 1a28 h SER 847 N 1.21 0.66 0.81 3.07 0.87 -0.33 -1.14 113.55 118.71 1a28 h SER 847 Ca 0.32 -0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.72 1a28 h SER 847 Cb -0.07 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 1a28 h SER 847 CO -0.06 0.50 -0.57 1.88 -0.53 0.00 0.00 176.83 178.05 1a28 h TYR 848 N 0.75 0.00 -0.30 2.24 0.05 -0.90 -1.48 116.97 117.32 1a28 h TYR 848 Ca 0.20 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.94 1a28 h TYR 848 Cb -0.05 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 1a28 h TYR 848 CO -0.03 0.57 0.02 0.82 -1.05 0.00 0.00 178.16 178.49 1a28 h ILE 849 N 0.00 1.25 -0.17 -2.88 2.04 -0.88 0.43 117.51 117.30 1a28 h ILE 849 Ca -0.01 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 1a28 h ILE 849 Cb 1.13 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1a28 h ILE 849 CO 0.07 0.29 -0.00 0.03 0.00 0.00 0.00 178.15 178.54 1a28 h ARG 850 N 0.33 0.24 -0.18 2.37 3.08 -1.06 -1.49 114.38 117.67 1a28 h ARG 850 Ca 0.09 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 59.93 1a28 h ARG 850 Cb 0.40 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1a28 h ARG 850 CO 0.01 0.27 -0.61 1.49 -1.07 0.00 0.00 179.97 180.07 1a28 h GLU 851 N 0.24 0.61 -0.70 0.04 4.57 -0.74 -2.31 114.58 116.29 1a28 h GLU 851 Ca 0.06 -0.42 0.01 0.00 -1.18 0.00 0.00 59.36 57.83 1a28 h GLU 851 Cb 0.18 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 1a28 h GLU 851 CO 0.00 1.03 0.46 1.25 -1.18 0.00 0.00 179.01 180.58 1a28 h LEU 852 N 0.45 0.80 -1.38 1.64 5.85 -0.05 -0.06 115.31 122.56 1a28 h LEU 852 Ca -0.00 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1a28 h LEU 852 Cb 1.18 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1a28 h LEU 852 CO 0.12 0.58 0.36 0.40 -0.34 0.00 0.00 178.44 179.56 1a28 h ILE 853 N 0.95 1.16 -0.24 4.05 2.04 -1.06 -0.44 117.51 123.96 1a28 h ILE 853 Ca 0.26 -0.34 -0.19 0.00 1.00 0.00 0.00 64.86 65.59 1a28 h ILE 853 Cb -0.11 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1a28 h ILE 853 CO -0.06 0.17 -0.59 0.11 0.00 0.00 0.00 178.15 177.78 1a28 h LYS 854 N 0.79 0.78 -0.86 2.37 1.57 -0.80 -2.27 116.57 118.15 1a28 h LYS 854 Ca 0.21 -0.52 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1a28 h LYS 854 Cb -0.05 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1a28 h LYS 854 CO -0.04 1.15 0.49 0.00 -0.57 0.00 0.00 179.45 180.47 1a28 h ALA 855 N 0.74 1.10 -0.46 3.86 0.00 -0.13 -0.73 119.26 123.64 1a28 h ALA 855 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1a28 h ALA 855 Cb 1.19 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1a28 h ALA 855 CO 0.12 0.59 0.01 0.82 0.00 0.00 0.00 179.25 180.80 1a28 h ILE 856 N 1.19 1.23 0.00 0.00 2.04 -1.08 -2.50 117.51 118.40 1a28 h ILE 856 Ca 0.31 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 1a28 h ILE 856 Cb 0.00 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1a28 h ILE 856 CO -0.05 0.34 -0.01 1.23 0.00 0.00 0.00 178.15 179.66 1a28 h GLY 857 N 0.96 0.00 1.70 5.37 0.00 -0.53 -2.76 103.07 107.81 1a28 h GLY 857 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 1a28 h GLY 857 CO 0.02 0.00 -0.14 1.41 0.00 0.00 0.00 176.54 177.82 1a28 h LEU 858 N 0.00 0.35 0.00 3.11 3.38 -1.06 -3.41 115.31 117.67 1a28 h LEU 858 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1a28 h LEU 858 Cb 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1a28 h LEU 858 CO 0.00 0.53 -0.02 0.54 0.09 0.00 0.00 178.44 179.58 1a28 n ARG 859 N -4.22 0.01 -1.54 1.13 1.74 -1.07 -4.93 116.66 107.78 1a28 n ARG 859 Ca -0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.79 1a28 n ARG 859 Cb 0.31 -0.15 -0.07 0.00 -1.02 0.00 0.00 32.46 31.52 1a28 n ARG 859 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1a28 n GLN 860 N -2.67 0.69 -3.09 5.56 3.00 -1.07 -4.89 117.38 114.92 1a28 n GLN 860 Ca -0.00 -0.23 -0.39 0.00 -0.01 0.00 0.00 57.00 56.37 1a28 n GLN 860 Cb 0.01 -3.06 -0.05 0.00 0.00 0.00 0.00 30.24 27.13 1a28 n GLN 860 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1a28 s LYS 861 N 8.47 4.41 0.00 -1.09 -0.14 -1.26 -4.46 119.74 125.67 1a28 s LYS 861 Ca 1.05 0.90 0.00 0.00 -1.36 0.00 0.00 55.97 56.56 1a28 s LYS 861 Cb -0.37 -3.35 0.00 0.00 -1.68 0.00 0.00 37.83 32.43 1a28 s LYS 861 CO 0.27 0.32 0.00 0.41 -0.76 0.00 0.00 175.35 175.59 1a28 n GLY 862 N 2.43 3.57 0.24 -3.33 0.00 -1.26 -4.72 105.19 102.11 1a28 n GLY 862 Ca -0.05 -1.42 -0.06 0.00 0.00 0.00 0.00 46.02 44.49 1a28 n GLY 862 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1a28 h VAL 863 N 0.00 1.15 -0.09 1.61 3.04 -1.99 0.15 116.25 120.13 1a28 h VAL 863 Ca 0.00 -0.28 -0.03 0.00 -1.01 0.00 0.00 66.70 65.38 1a28 h VAL 863 Cb 0.00 0.27 -0.00 0.00 -2.01 0.00 0.00 31.29 29.54 1a28 h VAL 863 CO 0.00 0.15 -0.08 0.58 -1.01 0.00 0.00 177.57 177.21 1a28 h VAL 864 N 0.81 1.36 -0.85 1.51 2.07 -1.99 -1.81 116.25 117.35 1a28 h VAL 864 Ca 0.22 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1a28 h VAL 864 Cb -0.09 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1a28 h VAL 864 CO -0.05 0.34 0.44 -1.28 0.02 0.00 0.00 177.57 177.04 1a28 h SER 865 N -0.20 1.08 -0.31 0.57 0.87 -1.83 -0.80 113.55 112.93 1a28 h SER 865 Ca 0.02 -0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 60.38 1a28 h SER 865 Cb 0.58 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1a28 h SER 865 CO 0.02 0.89 -0.12 0.28 -0.53 0.00 0.00 176.83 177.38 1a28 h SER 866 N 1.19 0.64 0.19 6.23 0.02 -0.95 -0.24 113.55 120.63 1a28 h SER 866 Ca 0.30 -0.39 -0.13 0.00 -0.84 0.00 0.00 61.79 60.72 1a28 h SER 866 Cb 0.07 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1a28 h SER 866 CO -0.04 0.88 -0.49 0.77 -1.14 0.00 0.00 176.83 176.81 1a28 h SER 867 N 0.39 0.38 -0.28 3.07 4.64 -1.23 -1.52 113.55 119.00 1a28 h SER 867 Ca 0.07 -0.19 -0.15 0.00 -0.47 0.00 0.00 61.79 61.05 1a28 h SER 867 Cb 0.63 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1a28 h SER 867 CO 0.04 0.82 -0.39 1.56 -0.87 0.00 0.00 176.83 177.99 1a28 h GLN 868 N 0.28 0.83 -0.32 4.77 4.20 -1.05 -2.52 115.11 121.30 1a28 h GLN 868 Ca 0.01 -0.43 -0.11 0.00 0.06 0.00 0.00 58.65 58.18 1a28 h GLN 868 Cb 0.97 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1a28 h GLN 868 CO 0.08 1.07 -0.26 -0.09 -0.67 0.00 0.00 178.83 178.96 1a28 h ARG 869 N 0.68 0.65 -0.75 1.46 2.43 -0.87 -1.52 114.38 116.46 1a28 h ARG 869 Ca 0.06 -0.27 0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1a28 h ARG 869 Cb 0.95 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.44 1a28 h ARG 869 CO 0.09 0.85 0.49 0.35 -1.51 0.00 0.00 179.97 180.24 1a28 h PHE 870 N 0.56 0.96 -0.60 2.20 3.57 -1.19 -0.48 116.94 121.96 1a28 h PHE 870 Ca 0.07 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 1a28 h PHE 870 Cb 0.74 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1a28 h PHE 870 CO 0.03 0.61 -0.03 -0.92 -2.23 0.00 0.00 178.31 175.77 1a28 h TYR 871 N 1.02 1.18 -0.02 0.41 5.03 -1.09 -1.85 116.97 121.65 1a28 h TYR 871 Ca 0.28 -0.22 -0.00 0.00 2.58 0.00 0.00 58.73 61.37 1a28 h TYR 871 Cb -0.10 -0.30 -0.00 0.00 1.55 0.00 0.00 36.73 37.87 1a28 h TYR 871 CO -0.02 1.05 0.01 1.96 -1.32 0.00 0.00 178.16 179.84 1a28 h GLN 872 N 0.97 0.04 -0.59 1.82 4.20 -0.87 0.16 115.11 120.84 1a28 h GLN 872 Ca 0.17 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 1a28 h GLN 872 Cb 0.60 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1a28 h GLN 872 CO 0.04 0.22 0.05 -0.07 -0.67 0.00 0.00 178.83 178.39 1a28 h LEU 873 N -0.15 0.95 -0.41 1.46 3.38 -1.10 0.11 115.31 119.54 1a28 h LEU 873 Ca 0.01 -0.24 -0.18 0.00 0.09 0.00 0.00 57.88 57.56 1a28 h LEU 873 Cb 0.20 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1a28 h LEU 873 CO -0.00 0.98 -0.77 0.71 0.09 0.00 0.00 178.44 179.45 1a28 h THR 874 N 0.92 1.43 -0.29 0.22 1.35 -1.32 -2.30 112.91 112.91 1a28 h THR 874 Ca 0.18 -2.30 -0.09 0.00 -0.55 0.00 0.00 66.41 63.64 1a28 h THR 874 Cb 0.47 2.24 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 1a28 h THR 874 CO 0.02 0.68 -0.22 0.50 -0.25 0.00 0.00 175.52 176.25 1a28 h LYS 875 N 0.18 0.54 -0.49 4.72 1.63 -0.31 -1.15 116.57 121.70 1a28 h LYS 875 Ca -0.03 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.56 1a28 h LYS 875 Cb 1.35 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.92 1a28 h LYS 875 CO 0.12 0.73 0.26 1.25 -3.45 0.00 0.00 179.45 178.37 1a28 h LEU 876 N 0.48 0.62 -0.58 5.20 6.46 -0.61 -0.72 115.31 126.17 1a28 h LEU 876 Ca 0.07 -0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 1a28 h LEU 876 Cb 0.65 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 1a28 h LEU 876 CO 0.05 0.54 0.24 -0.07 -0.62 0.00 0.00 178.44 178.58 1a28 h LEU 877 N 0.65 0.80 -0.81 2.25 3.38 -0.90 -2.18 115.31 118.51 1a28 h LEU 877 Ca 0.17 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1a28 h LEU 877 Cb 0.06 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1a28 h LEU 877 CO -0.03 0.75 0.53 0.44 0.09 0.00 0.00 178.44 180.21 1a28 h ASP 878 N 0.81 0.94 0.12 -0.43 3.32 -0.86 -1.42 116.42 118.89 1a28 h ASP 878 Ca 0.20 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1a28 h ASP 878 Cb 0.19 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1a28 h ASP 878 CO -0.02 0.69 -0.09 0.78 -1.72 0.00 0.00 179.24 178.89 1a28 h ASN 879 N 1.10 0.00 -0.31 6.45 -0.26 -0.78 -2.72 115.58 119.06 1a28 h ASN 879 Ca 0.30 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 56.08 1a28 h ASN 879 Cb -0.11 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 1a28 h ASN 879 CO -0.06 0.09 0.21 -0.07 -1.06 0.00 0.00 177.43 176.54 1a28 h LEU 880 N 0.00 0.21 -0.56 1.61 3.38 -0.62 -2.52 115.31 116.81 1a28 h LEU 880 Ca -0.00 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1a28 h LEU 880 Cb 0.17 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 1a28 h LEU 880 CO 0.01 0.14 0.15 0.45 0.09 0.00 0.00 178.44 179.28 1a28 h HIS 881 N 0.24 0.24 -0.40 1.13 3.86 -1.57 0.33 115.15 118.99 1a28 h HIS 881 Ca 0.13 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.34 1a28 h HIS 881 Cb 0.23 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 1a28 h HIS 881 CO -0.00 0.02 0.11 -0.44 0.86 0.00 0.00 177.93 178.48 1a28 h ASP 882 N 0.30 0.59 -0.10 2.45 5.19 -1.64 -0.78 116.42 122.43 1a28 h ASP 882 Ca 0.29 -0.22 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1a28 h ASP 882 Cb 0.39 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 1a28 h ASP 882 CO -0.34 0.65 0.03 0.25 -3.12 0.00 0.00 179.24 176.71 1a28 h LEU 883 N 0.50 0.14 -1.43 1.55 7.12 -1.34 -2.89 115.31 118.95 1a28 h LEU 883 Ca 0.13 -0.18 -0.06 0.00 0.13 0.00 0.00 57.88 57.90 1a28 h LEU 883 Cb 0.28 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.37 1a28 h LEU 883 CO -0.00 0.28 -0.27 0.58 -0.13 0.00 0.00 178.44 178.90 1a28 h VAL 884 N -0.02 1.20 -0.96 1.05 2.07 -0.31 -2.39 116.25 116.89 1a28 h VAL 884 Ca 0.03 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.63 1a28 h VAL 884 Cb 0.19 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1a28 h VAL 884 CO -0.00 0.27 0.63 0.50 0.02 0.00 0.00 177.57 178.99 1a28 h LYS 885 N 0.03 1.20 -0.73 1.57 3.64 -0.92 0.13 116.57 121.48 1a28 h LYS 885 Ca 0.00 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1a28 h LYS 885 Cb 0.49 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1a28 h LYS 885 CO 0.04 0.79 0.27 1.96 -2.27 0.00 0.00 179.45 180.24 1a28 h GLN 886 N 1.24 1.11 -0.43 1.90 4.20 -1.38 -1.38 115.11 120.36 1a28 h GLN 886 Ca 0.38 -0.22 -0.12 0.00 0.06 0.00 0.00 58.65 58.75 1a28 h GLN 886 Cb -0.03 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 1a28 h GLN 886 CO -0.11 0.93 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.70 1a28 h LEU 887 N 1.06 0.88 -0.40 1.46 3.38 -1.30 -2.47 115.31 117.92 1a28 h LEU 887 Ca 0.24 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1a28 h LEU 887 Cb 0.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1a28 h LEU 887 CO -0.01 1.06 0.20 0.45 0.09 0.00 0.00 178.44 180.23 1a28 h HIS 888 N 0.76 0.56 -0.38 1.13 3.86 -0.41 -0.61 115.15 120.06 1a28 h HIS 888 Ca 0.10 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.23 1a28 h HIS 888 Cb 0.74 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 1a28 h HIS 888 CO 0.04 0.46 0.01 1.25 0.86 0.00 0.00 177.93 180.55 1a28 h LEU 889 N 0.51 0.65 -0.73 2.43 5.85 -1.22 -0.58 115.31 122.23 1a28 h LEU 889 Ca 0.14 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 1a28 h LEU 889 Cb 0.10 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1a28 h LEU 889 CO -0.02 0.80 0.33 0.22 -0.34 0.00 0.00 178.44 179.42 1a28 h TYR 890 N 0.49 1.07 -0.00 1.25 5.03 -1.36 -1.04 116.97 122.40 1a28 h TYR 890 Ca 0.11 -0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.35 1a28 h TYR 890 Cb 0.46 -0.33 -0.00 0.00 1.55 0.00 0.00 36.73 38.41 1a28 h TYR 890 CO 0.04 0.80 0.00 0.00 -1.32 0.00 0.00 178.16 177.68 1a28 h LEU 892 N -0.18 1.08 -0.74 0.00 5.85 -0.92 0.25 115.31 120.65 1a28 h LEU 892 Ca 0.00 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 1a28 h LEU 892 Cb 0.19 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1a28 h LEU 892 CO -0.00 0.84 0.04 0.78 -0.34 0.00 0.00 178.44 179.76 1a28 h ASN 893 N 1.24 0.97 0.21 1.25 -0.26 -1.09 -0.98 115.58 116.92 1a28 h ASN 893 Ca 0.32 -0.25 -0.14 0.00 -0.56 0.00 0.00 56.30 55.68 1a28 h ASN 893 Cb -0.04 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 36.95 1a28 h ASN 893 CO -0.06 1.00 -0.52 0.74 -1.06 0.00 0.00 177.43 177.54 1a28 h THR 894 N 0.93 1.34 -0.23 2.81 2.02 -0.36 -2.21 112.91 117.22 1a28 h THR 894 Ca 0.18 -1.77 -0.03 0.00 0.77 0.00 0.00 66.41 65.55 1a28 h THR 894 Cb 0.48 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 1a28 h THR 894 CO 0.02 0.53 0.01 0.15 0.37 0.00 0.00 175.52 176.60 1a28 h PHE 895 N 0.27 0.42 -0.61 3.16 3.57 -0.14 0.66 116.94 124.28 1a28 h PHE 895 Ca 0.01 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 1a28 h PHE 895 Cb 1.00 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 1a28 h PHE 895 CO 0.03 0.56 0.25 0.82 -2.23 0.00 0.00 178.31 177.73 1a28 h ILE 896 N 0.17 1.21 -0.62 1.41 2.04 -1.13 -2.67 117.51 117.93 1a28 h ILE 896 Ca 0.07 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1a28 h ILE 896 Cb 0.38 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1a28 h ILE 896 CO 0.01 0.27 0.00 0.00 0.00 0.00 0.00 178.15 178.43 1a28 n GLN 897 N -4.32 4.23 -0.25 2.37 6.02 -0.84 -4.70 117.38 119.89 1a28 n GLN 897 Ca 0.05 -2.97 0.05 0.00 -0.01 0.00 0.00 57.00 54.12 1a28 n GLN 897 Cb 0.17 -2.06 0.17 0.00 1.02 0.00 0.00 30.24 29.54 1a28 n GLN 897 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1a28 h SER 898 N 4.05 -0.12 -0.13 1.08 4.64 -0.50 -1.07 113.55 121.49 1a28 h SER 898 Ca 0.00 0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1a28 h SER 898 Cb 1.68 0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 64.01 1a28 h SER 898 CO 0.35 -0.10 0.07 0.03 -0.87 0.00 0.00 176.83 176.31 1a28 h ARG 899 N 0.20 0.19 -0.39 4.77 3.08 -1.84 0.18 114.38 120.57 1a28 h ARG 899 Ca 0.41 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.38 1a28 h ARG 899 Cb 0.72 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1a28 h ARG 899 CO -0.56 0.24 0.00 0.00 -1.07 0.00 0.00 179.97 178.58 1a28 h ALA 900 N 0.94 1.28 -0.01 0.04 0.00 -1.78 -2.54 119.26 117.20 1a28 h ALA 900 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1a28 h ALA 900 Cb 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1a28 h ALA 900 CO -0.01 0.49 -0.22 1.28 0.00 0.00 0.00 179.25 180.79 1a28 n LEU 901 N -4.26 0.96 -3.71 0.00 4.77 -0.46 -4.95 117.00 109.35 1a28 n LEU 901 Ca 0.02 -0.23 -0.26 0.00 -0.03 0.00 0.00 56.01 55.51 1a28 n LEU 901 Cb 0.26 -0.12 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1a28 n LEU 901 CO 0.40 0.18 0.19 -1.20 -1.33 0.00 0.00 177.39 175.63 1a28 n SER 902 N -0.65 -5.66 -4.31 -1.43 7.64 0.50 -4.56 113.62 105.15 1a28 n SER 902 Ca 0.13 -0.63 -0.36 0.00 1.01 0.00 0.00 58.87 59.02 1a28 n SER 902 Cb 0.34 -4.61 -0.13 0.00 -1.01 0.00 0.00 64.21 58.79 1a28 n SER 902 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1a28 s VAL 903 N -3.32 3.54 0.01 0.44 1.01 -0.46 -4.73 120.40 116.89 1a28 s VAL 903 Ca 0.60 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.69 1a28 s VAL 903 Cb -0.28 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1a28 s VAL 903 CO 0.77 0.25 0.68 -0.70 0.00 0.00 0.00 175.10 176.09 1a28 s GLU 904 N 1.46 4.40 -0.20 2.72 2.56 -1.26 -4.61 118.70 123.77 1a28 s GLU 904 Ca 0.03 0.89 -0.02 0.00 0.00 0.00 0.00 54.97 55.87 1a28 s GLU 904 Cb -0.16 -3.36 0.00 0.00 2.00 0.00 0.00 34.13 32.61 1a28 s GLU 904 CO -0.01 0.31 -0.11 -0.06 -0.56 0.00 0.00 175.26 174.83 1a28 s PHE 905 N -0.05 2.88 1.02 5.30 0.40 -1.26 -4.73 117.98 121.54 1a28 s PHE 905 Ca 0.35 -1.20 -0.11 0.00 -0.60 0.00 0.00 56.93 55.36 1a28 s PHE 905 Cb -0.19 -2.02 0.20 0.00 0.51 0.00 0.00 43.02 41.52 1a28 s PHE 905 CO 0.20 -0.63 1.09 -2.14 0.70 0.00 0.00 175.22 174.44 1a28 s PRO 906 N 1.35 0.24 0.11 0.24 0.02 -1.26 -4.68 135.00 131.02 1a28 s PRO 906 Ca 0.05 1.22 -0.34 0.00 0.02 0.00 0.00 61.00 61.95 1a28 s PRO 906 Cb -0.14 -1.66 -0.13 0.00 0.02 0.00 0.00 34.50 32.59 1a28 s PRO 906 CO -0.07 -3.06 1.56 1.49 -0.33 0.00 0.00 177.00 176.59 1a28 h GLU 907 N -2.16 -0.61 -0.28 5.54 4.81 -1.99 -0.52 114.58 119.38 1a28 h GLU 907 Ca -0.51 0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.68 1a28 h GLU 907 Cb 1.29 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.80 1a28 h GLU 907 CO 0.46 -0.40 -0.16 0.52 -0.73 0.00 0.00 179.01 178.69 1a28 h MET 908 N -0.63 0.48 -0.40 1.92 2.86 -1.96 -1.14 114.93 116.07 1a28 h MET 908 Ca 0.02 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.41 1a28 h MET 908 Cb 0.70 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1a28 h MET 908 CO -0.39 0.63 -0.15 1.98 1.06 0.00 0.00 176.91 180.04 1a28 h MET 909 N 0.44 0.81 -0.47 1.72 1.85 -1.88 -1.47 114.93 115.92 1a28 h MET 909 Ca 0.08 -0.34 -0.05 0.00 -0.61 0.00 0.00 59.70 58.78 1a28 h MET 909 Cb 0.54 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.52 1a28 h MET 909 CO 0.03 0.96 0.08 0.77 -0.40 0.00 0.00 176.91 178.35 1a28 h SER 910 N 0.62 0.69 0.21 1.39 0.02 -0.83 -1.27 113.55 114.38 1a28 h SER 910 Ca 0.09 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1a28 h SER 910 Cb 0.70 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1a28 h SER 910 CO 0.05 0.71 -0.10 -0.08 -1.14 0.00 0.00 176.83 176.26 1a28 h GLU 911 N 0.70 -0.28 -0.23 3.45 4.81 -0.80 -0.61 114.58 121.62 1a28 h GLU 911 Ca 0.15 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1a28 h GLU 911 Cb 0.32 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1a28 h GLU 911 CO 0.00 -0.07 -0.06 -0.39 -0.73 0.00 0.00 179.01 177.77 1a28 h VAL 912 N -0.44 1.17 -0.23 0.32 -1.51 -1.14 -0.34 116.25 114.09 1a28 h VAL 912 Ca -0.03 -0.72 -0.07 0.00 -1.23 0.00 0.00 66.70 64.65 1a28 h VAL 912 Cb 0.33 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.55 1a28 h VAL 912 CO 0.05 0.24 -0.13 0.40 -1.23 0.00 0.00 177.57 176.89 1a28 h ILE 913 N 0.34 1.31 -0.00 7.19 2.04 -1.09 -2.85 117.51 124.44 1a28 h ILE 913 Ca 0.07 -1.22 -0.12 0.00 1.00 0.00 0.00 64.86 64.59 1a28 h ILE 913 Cb 0.32 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1a28 h ILE 913 CO 0.01 0.38 -0.55 0.00 0.00 0.00 0.00 178.15 177.99 1a28 h ALA 914 N 0.70 1.09 -0.02 1.87 0.00 -0.85 -2.10 119.26 119.96 1a28 h ALA 914 Ca 0.05 -0.50 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 1a28 h ALA 914 Cb 0.64 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1a28 h ALA 914 CO 0.04 0.69 -0.74 0.00 0.00 0.00 0.00 179.25 179.23 1a28 h ALA 915 N 1.44 0.72 0.00 0.00 0.00 -1.00 -3.43 119.26 117.00 1a28 h ALA 915 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1a28 h ALA 915 Cb 0.97 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1a28 h ALA 915 CO 0.07 0.85 -0.01 1.04 0.00 0.00 0.00 179.25 181.20 1a28 n GLN 916 N -3.73 5.22 -0.18 0.00 1.13 -1.08 -4.92 117.38 113.82 1a28 n GLN 916 Ca -0.02 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.03 1a28 n GLN 916 Cb 0.71 -0.51 0.08 0.00 0.11 0.00 0.00 30.24 30.63 1a28 n GLN 916 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1a28 h LEU 917 N 0.00 -0.17 -0.43 1.08 5.85 -1.51 0.13 115.31 120.25 1a28 h LEU 917 Ca 0.00 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1a28 h LEU 917 Cb 0.00 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1a28 h LEU 917 CO 0.00 -0.06 0.28 -0.65 -0.34 0.00 0.00 178.44 177.68 1a28 h PRO 918 N 0.15 0.56 -0.93 5.25 0.11 -1.89 -0.87 132.00 134.38 1a28 h PRO 918 Ca 0.28 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.36 1a28 h PRO 918 Cb 0.42 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.36 1a28 h PRO 918 CO -0.43 0.37 0.61 -0.22 -0.21 0.00 0.00 178.00 178.13 1a28 h LYS 919 N 0.58 1.22 -0.29 1.05 3.64 -1.67 -1.26 116.57 119.84 1a28 h LYS 919 Ca 0.16 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1a28 h LYS 919 Cb -0.06 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.47 1a28 h LYS 919 CO -0.04 0.81 0.04 0.82 -2.27 0.00 0.00 179.45 178.82 1a28 h ILE 920 N 1.26 1.23 -0.03 2.00 2.04 -0.36 -1.32 117.51 122.33 1a28 h ILE 920 Ca 0.34 -0.81 -0.07 0.00 1.00 0.00 0.00 64.86 65.31 1a28 h ILE 920 Cb -0.14 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1a28 h ILE 920 CO -0.07 0.26 -0.32 -0.07 0.00 0.00 0.00 178.15 177.95 1a28 h LEU 921 N 0.31 0.06 0.00 1.44 3.38 -0.86 -2.04 115.31 117.61 1a28 h LEU 921 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1a28 h LEU 921 Cb 0.35 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1a28 h LEU 921 CO 0.01 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.92 1a28 n ALA 922 N -2.48 2.59 -1.57 1.53 0.00 -0.50 -4.87 120.51 115.20 1a28 n ALA 922 Ca -0.02 -0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 1a28 n ALA 922 Cb 0.38 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 1a28 n ALA 922 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a28 n GLY 923 N 0.82 0.77 2.10 0.00 0.00 -0.77 -4.91 105.19 103.20 1a28 n GLY 923 Ca 0.21 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 1a28 n GLY 923 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1a28 n MET 924 N -2.47 2.16 -4.18 1.61 2.81 -0.51 -4.83 117.12 111.71 1a28 n MET 924 Ca -0.11 -2.23 -0.15 0.00 -1.81 0.00 0.00 57.70 53.40 1a28 n MET 924 Cb 0.41 -1.89 -0.07 0.00 -0.71 0.00 0.00 33.22 30.96 1a28 n MET 924 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1a28 s VAL 925 N -3.19 0.00 -0.41 2.03 -7.23 -1.26 -4.51 120.40 105.82 1a28 s VAL 925 Ca 0.44 -1.82 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 1a28 s VAL 925 Cb 0.34 -2.52 0.11 0.00 0.56 0.00 0.00 36.38 34.87 1a28 s VAL 925 CO -0.03 0.00 0.14 -0.75 -0.31 0.00 0.00 175.10 174.15 1a28 s LYS 926 N -3.51 1.71 0.34 4.82 2.20 0.19 -4.77 119.74 120.73 1a28 s LYS 926 Ca 0.35 -2.16 -0.28 0.00 -0.36 0.00 0.00 55.97 53.53 1a28 s LYS 926 Cb 0.02 -3.28 -0.10 0.00 -1.51 0.00 0.00 37.83 32.96 1a28 s LYS 926 CO 0.20 -1.01 1.27 -1.25 -0.36 0.00 0.00 175.35 174.21 1a28 s PRO 927 N 0.46 4.31 -0.27 4.03 0.04 -1.26 -1.15 135.00 141.17 1a28 s PRO 927 Ca 0.13 2.14 -0.10 0.00 0.04 0.00 0.00 61.00 63.20 1a28 s PRO 927 Cb -0.22 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 1a28 s PRO 927 CO -0.05 -0.20 0.17 -0.51 0.04 0.00 0.00 177.00 176.45 1a28 s LEU 928 N -1.91 3.96 0.02 -3.56 1.43 0.13 -4.93 118.68 113.83 1a28 s LEU 928 Ca 0.50 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1a28 s LEU 928 Cb -0.38 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 1a28 s LEU 928 CO 0.50 -0.02 0.02 -0.76 0.23 0.00 0.00 176.35 176.32 1a28 s LEU 929 N 1.58 3.59 0.03 1.79 1.43 -1.26 -4.87 118.68 120.98 1a28 s LEU 929 Ca 0.07 -0.01 0.12 0.00 -1.03 0.00 0.00 54.13 53.27 1a28 s LEU 929 Cb -0.15 -2.14 -0.20 0.00 0.03 0.00 0.00 46.19 43.73 1a28 s LEU 929 CO 0.09 0.25 0.90 -0.26 0.23 0.00 0.00 176.35 177.56 1a28 h PHE 930 N 4.04 0.00 0.00 0.29 -1.00 -1.98 -3.52 116.94 114.77 1a28 h PHE 930 Ca -0.48 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.30 1a28 h PHE 930 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1a28 h PHE 930 CO 0.61 0.93 0.00 0.72 -1.61 0.00 0.00 178.31 178.96