#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d90 s ILE 684 N 0.00 5.01 0.14 1.47 -1.09 -1.26 -5.00 121.20 120.47 3d90 s ILE 684 Ca 0.00 1.13 -0.34 0.00 -2.23 0.00 0.00 60.65 59.21 3d90 s ILE 684 Cb 0.00 -3.93 -0.16 0.00 -1.58 0.00 0.00 42.46 36.79 3d90 s ILE 684 CO 0.00 0.08 1.29 -2.65 -1.23 0.00 0.00 174.94 172.42 3d90 n PRO 685 N 5.35 1.29 -0.19 2.79 -0.02 -1.26 -4.84 135.00 138.12 3d90 n PRO 685 Ca -0.01 0.46 -0.05 0.00 -2.02 0.00 0.00 63.50 61.88 3d90 n PRO 685 Cb 0.49 -2.05 0.01 0.00 -0.02 0.00 0.00 33.50 31.93 3d90 n PRO 685 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3d90 h PRO 686 N 4.12 -0.15 -1.01 0.52 0.11 -2.00 -1.02 132.00 132.56 3d90 h PRO 686 Ca -0.45 0.01 0.24 0.00 0.11 0.00 0.00 66.00 65.91 3d90 h PRO 686 Cb 1.33 0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.38 3d90 h PRO 686 CO 0.75 -0.10 0.65 1.25 -0.21 0.00 0.00 178.00 180.34 3d90 h LEU 687 N -0.16 0.47 -0.98 2.35 5.85 -2.00 0.36 115.31 121.21 3d90 h LEU 687 Ca 0.23 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.92 3d90 h LEU 687 Cb 0.54 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3d90 h LEU 687 CO -0.66 0.13 -0.39 0.40 -0.34 0.00 0.00 178.44 177.57 3d90 h ILE 688 N 0.44 1.30 -0.41 4.05 2.04 -1.54 -1.82 117.51 121.57 3d90 h ILE 688 Ca 0.56 -1.47 -0.13 0.00 1.00 0.00 0.00 64.86 64.82 3d90 h ILE 688 Cb 1.36 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 3d90 h ILE 688 CO -0.28 0.44 -0.28 0.78 0.00 0.00 0.00 178.15 178.81 3d90 h ASN 689 N 0.20 0.91 0.22 1.72 -0.26 -0.15 -2.37 115.58 115.84 3d90 h ASN 689 Ca 0.02 -0.36 -0.01 0.00 -0.56 0.00 0.00 56.30 55.39 3d90 h ASN 689 Cb 0.78 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.79 3d90 h ASN 689 CO 0.06 1.12 -0.10 -0.07 -1.06 0.00 0.00 177.43 177.38 3d90 h LEU 690 N 0.74 -0.25 -1.00 1.61 3.38 -1.03 -0.60 115.31 118.17 3d90 h LEU 690 Ca 0.09 -0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.17 3d90 h LEU 690 Cb 0.83 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 3d90 h LEU 690 CO 0.07 -0.12 0.61 -0.07 0.09 0.00 0.00 178.44 179.02 3d90 h LEU 691 N -0.36 0.83 -0.58 1.67 3.38 -1.29 -0.53 115.31 118.43 3d90 h LEU 691 Ca -0.03 0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 3d90 h LEU 691 Cb 0.28 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3d90 h LEU 691 CO 0.05 0.36 -0.50 -0.03 0.09 0.00 0.00 178.44 178.41 3d90 h MET 692 N 0.85 0.54 0.00 1.13 4.05 -1.07 -3.15 114.93 117.28 3d90 h MET 692 Ca 0.54 -0.32 -0.03 0.00 -0.28 0.00 0.00 59.70 59.61 3d90 h MET 692 Cb 0.72 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.55 3d90 h MET 692 CO -0.34 0.92 -0.16 0.66 0.23 0.00 0.00 176.91 178.23 3d90 h SER 693 N 0.43 0.00 -0.63 1.39 4.64 0.43 -3.12 113.55 116.68 3d90 h SER 693 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3d90 h SER 693 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3d90 h SER 693 CO 0.09 0.16 0.00 2.30 -0.87 0.00 0.00 176.83 178.51 3d90 n ILE 694 N -3.22 0.84 -2.51 0.95 -5.35 -0.60 -4.92 119.36 104.55 3d90 n ILE 694 Ca 0.01 -0.85 -0.42 0.00 -0.27 0.00 0.00 62.75 61.22 3d90 n ILE 694 Cb 0.47 0.45 -0.03 0.00 -1.74 0.00 0.00 39.64 38.79 3d90 n ILE 694 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3d90 s GLU 695 N -1.16 4.44 1.20 6.28 0.41 -1.18 -4.89 118.70 123.79 3d90 s GLU 695 Ca 0.43 1.64 -0.19 0.00 -0.41 0.00 0.00 54.97 56.44 3d90 s GLU 695 Cb 0.22 -3.44 0.29 0.00 -1.78 0.00 0.00 34.13 29.42 3d90 s GLU 695 CO 0.29 -0.27 1.12 -1.25 -0.49 0.00 0.00 175.26 174.67 3d90 s PRO 696 N 1.42 -1.19 0.42 0.39 0.04 -1.26 -5.03 135.00 129.78 3d90 s PRO 696 Ca 0.56 -0.11 -0.15 0.00 0.04 0.00 0.00 61.00 61.34 3d90 s PRO 696 Cb -0.26 -1.60 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 3d90 s PRO 696 CO 0.26 -3.68 0.84 -0.51 0.04 0.00 0.00 177.00 173.95 3d90 s ASP 697 N -3.96 6.68 0.21 6.66 1.01 -1.26 -4.97 116.67 121.02 3d90 s ASP 697 Ca 0.71 1.37 -0.31 0.00 0.71 0.00 0.00 52.55 55.03 3d90 s ASP 697 Cb -0.09 -2.42 -0.15 0.00 1.01 0.00 0.00 42.92 41.27 3d90 s ASP 697 CO 0.56 -0.39 1.07 0.55 0.21 0.00 0.00 175.17 177.17 3d90 n VAL 698 N -1.03 1.27 -3.81 -1.27 3.14 -1.26 -4.94 118.33 110.43 3d90 n VAL 698 Ca 0.04 -0.32 -0.30 0.00 -2.96 0.00 0.00 64.34 60.80 3d90 n VAL 698 Cb 0.54 -0.82 -0.04 0.00 -1.06 0.00 0.00 33.84 32.46 3d90 n VAL 698 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 3d90 s ILE 699 N -0.49 5.29 -0.07 1.55 1.01 -1.26 -5.05 121.20 122.18 3d90 s ILE 699 Ca 0.69 -0.27 -0.00 0.00 0.00 0.00 0.00 60.65 61.06 3d90 s ILE 699 Cb -0.82 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 3d90 s ILE 699 CO 0.55 0.05 -0.03 -0.31 0.00 0.00 0.00 174.94 175.20 3d90 s TYR 700 N -1.62 3.05 -0.79 3.97 2.02 -1.26 -4.35 117.35 118.37 3d90 s TYR 700 Ca 0.37 0.10 0.26 0.00 -0.37 0.00 0.00 57.07 57.43 3d90 s TYR 700 Cb -0.12 -1.74 0.67 0.00 -0.40 0.00 0.00 41.96 40.37 3d90 s TYR 700 CO 0.27 0.41 1.58 0.00 -1.57 0.00 0.00 175.55 176.23 3d90 n ALA 701 N 2.10 2.74 -1.69 3.71 0.00 -1.26 -4.79 120.51 121.32 3d90 n ALA 701 Ca -0.18 -0.17 -0.15 0.00 0.00 0.00 0.00 53.44 52.94 3d90 n ALA 701 Cb 0.53 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 3d90 n ALA 701 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d90 n GLY 702 N 1.39 0.95 3.75 0.00 0.00 -1.26 -4.62 105.19 105.40 3d90 n GLY 702 Ca 0.05 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 3d90 n GLY 702 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3d90 s HIS 703 N -2.60 2.27 -0.60 1.61 5.04 -1.26 -4.97 115.29 114.77 3d90 s HIS 703 Ca 0.00 1.38 -0.15 0.00 -1.54 0.00 0.00 55.06 54.75 3d90 s HIS 703 Cb 0.00 -3.79 0.15 0.00 0.04 0.00 0.00 32.58 28.98 3d90 s HIS 703 CO 0.00 -2.89 0.56 0.34 -2.34 0.00 0.00 174.74 170.41 3d90 s ASP 704 N -1.00 6.30 -0.00 9.88 3.68 -1.26 -4.88 116.67 129.39 3d90 s ASP 704 Ca 0.72 -2.01 0.07 0.00 2.13 0.00 0.00 52.55 53.46 3d90 s ASP 704 Cb -0.40 -2.20 0.20 0.00 -1.45 0.00 0.00 42.92 39.07 3d90 s ASP 704 CO 0.47 -0.78 1.16 0.59 0.13 0.00 0.00 175.17 176.74 3d90 n ASN 705 N 4.93 1.23 -1.91 -0.34 4.13 -1.26 -3.45 115.26 118.58 3d90 n ASN 705 Ca -0.07 -2.00 -0.18 0.00 1.68 0.00 0.00 54.58 54.00 3d90 n ASN 705 Cb 0.42 -0.16 0.18 0.00 -1.54 0.00 0.00 39.78 38.68 3d90 n ASN 705 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3d90 n THR 706 N 0.16 3.02 -3.54 3.41 -2.24 -1.26 -4.87 114.28 108.97 3d90 n THR 706 Ca 0.08 -2.20 0.00 0.00 -2.27 0.00 0.00 64.05 59.66 3d90 n THR 706 Cb 0.20 -0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 67.94 3d90 n THR 706 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3d90 s LYS 707 N -3.30 0.27 0.65 -0.78 0.00 -1.22 -5.16 119.74 110.20 3d90 s LYS 707 Ca 0.53 0.53 -0.17 0.00 0.00 0.00 0.00 55.97 56.87 3d90 s LYS 707 Cb 0.46 0.17 -0.04 0.00 0.00 0.00 0.00 37.83 38.42 3d90 s LYS 707 CO 0.07 -0.07 0.80 -2.30 0.00 0.00 0.00 175.35 173.85 3d90 n PRO 708 N 4.04 0.60 -4.02 1.78 -0.02 -1.26 -4.92 135.00 131.20 3d90 n PRO 708 Ca -0.15 0.25 -0.30 0.00 -2.02 0.00 0.00 63.50 61.28 3d90 n PRO 708 Cb 0.56 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 3d90 n PRO 708 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3d90 s ASP 709 N -1.39 5.74 0.40 2.55 1.01 -1.26 -5.09 116.67 118.63 3d90 s ASP 709 Ca 0.72 0.05 0.08 0.00 0.71 0.00 0.00 52.55 54.11 3d90 s ASP 709 Cb -0.39 -1.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.92 3d90 s ASP 709 CO 0.51 0.16 0.34 0.42 0.21 0.00 0.00 175.17 176.81 3d90 s THR 710 N -1.46 2.83 0.17 -1.27 -4.23 -1.26 -4.94 115.64 105.48 3d90 s THR 710 Ca 0.31 -1.38 -0.16 0.00 -1.18 0.00 0.00 61.69 59.28 3d90 s THR 710 Cb -0.12 -3.04 0.07 0.00 1.34 0.00 0.00 72.50 70.76 3d90 s THR 710 CO 0.24 -0.04 1.70 0.77 -0.54 0.00 0.00 174.62 176.74 3d90 h SER 711 N 1.12 -0.17 0.70 3.99 4.64 -1.90 -0.23 113.55 121.69 3d90 h SER 711 Ca -0.42 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3d90 h SER 711 Cb 1.26 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 3d90 h SER 711 CO 0.58 -0.05 0.00 0.28 -0.87 0.00 0.00 176.83 176.78 3d90 h SER 712 N 0.10 0.00 0.44 4.97 0.02 -1.89 -2.82 113.55 114.37 3d90 h SER 712 Ca 0.19 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.84 3d90 h SER 712 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3d90 h SER 712 CO -0.33 0.00 -1.50 -1.28 -1.14 0.00 0.00 176.83 172.58 3d90 h SER 713 N 0.00 0.47 -0.23 3.07 0.87 -1.38 -3.09 113.55 113.25 3d90 h SER 713 Ca 0.00 -0.61 -0.10 0.00 -1.23 0.00 0.00 61.79 59.85 3d90 h SER 713 Cb 0.35 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3d90 h SER 713 CO 0.00 1.50 -0.25 0.25 -0.53 0.00 0.00 176.83 177.79 3d90 h LEU 714 N 0.08 0.63 0.07 2.23 7.12 -1.12 -2.79 115.31 121.52 3d90 h LEU 714 Ca -0.24 -0.48 -0.00 0.00 0.13 0.00 0.00 57.88 57.29 3d90 h LEU 714 Cb 2.03 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.99 3d90 h LEU 714 CO 0.18 0.98 -0.03 -0.07 -0.13 0.00 0.00 178.44 179.38 3d90 h LEU 715 N 0.28 -0.07 -2.34 2.25 3.38 -1.64 -1.73 115.31 115.43 3d90 h LEU 715 Ca 0.03 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3d90 h LEU 715 Cb 0.81 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 3d90 h LEU 715 CO 0.06 0.06 0.04 0.74 0.09 0.00 0.00 178.44 179.44 3d90 h THR 716 N -0.21 0.60 0.01 0.22 2.02 -1.60 0.25 112.91 114.19 3d90 h THR 716 Ca -0.01 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.98 3d90 h THR 716 Cb 0.18 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 3d90 h THR 716 CO 0.01 0.00 -0.92 -1.28 0.37 0.00 0.00 175.52 173.71 3d90 h SER 717 N 0.00 0.06 1.37 4.18 0.87 -1.16 -2.31 113.55 116.56 3d90 h SER 717 Ca 0.02 -0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.41 3d90 h SER 717 Cb 0.11 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 3d90 h SER 717 CO -0.00 0.94 -0.63 -0.07 -0.53 0.00 0.00 176.83 176.53 3d90 h LEU 718 N 0.02 0.00 -0.39 2.23 3.38 0.14 -2.54 115.31 118.15 3d90 h LEU 718 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3d90 h LEU 718 Cb 1.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 3d90 h LEU 718 CO 0.12 0.57 -0.33 0.78 0.09 0.00 0.00 178.44 179.67 3d90 h ASN 719 N 0.00 0.00 0.01 -0.43 2.35 -0.57 -0.52 115.58 116.42 3d90 h ASN 719 Ca -0.02 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 3d90 h ASN 719 Cb 1.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.82 3d90 h ASN 719 CO 0.07 0.33 -0.21 1.56 -1.65 0.00 0.00 177.43 177.53 3d90 h GLN 720 N 0.00 0.12 -0.29 0.81 1.08 -1.35 -2.00 115.11 113.48 3d90 h GLN 720 Ca -0.00 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.01 3d90 h GLN 720 Cb 1.11 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 3d90 h GLN 720 CO 0.04 0.94 0.02 1.25 -0.95 0.00 0.00 178.83 180.13 3d90 h LEU 721 N -0.63 0.40 0.13 1.46 5.85 -1.45 -2.20 115.31 118.87 3d90 h LEU 721 Ca -0.03 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3d90 h LEU 721 Cb 1.02 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.95 3d90 h LEU 721 CO 0.04 0.45 -0.06 1.23 -0.34 0.00 0.00 178.44 179.76 3d90 h GLY 722 N 0.72 -0.18 0.29 3.75 0.00 -1.08 0.32 103.07 106.90 3d90 h GLY 722 Ca 0.10 0.07 0.20 0.00 0.00 0.00 0.00 47.33 47.69 3d90 h GLY 722 CO 0.00 -0.06 0.60 -2.09 0.00 0.00 0.00 176.54 174.99 3d90 h GLU 723 N -0.37 0.46 0.00 4.80 4.57 -0.99 0.56 114.58 123.60 3d90 h GLU 723 Ca -0.02 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 57.93 3d90 h GLU 723 Cb 0.30 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 3d90 h GLU 723 CO 0.03 0.30 -0.96 0.00 -1.18 0.00 0.00 179.01 177.20 3d90 h ARG 724 N 0.47 0.00 0.07 1.92 3.08 -1.10 -2.81 114.38 116.01 3d90 h ARG 724 Ca 0.49 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.31 3d90 h ARG 724 Cb 1.11 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.18 3d90 h ARG 724 CO -0.21 0.96 -0.94 1.96 -1.07 0.00 0.00 179.97 180.68 3d90 h GLN 725 N 0.00 0.51 -0.42 0.04 4.20 0.13 -2.24 115.11 117.35 3d90 h GLN 725 Ca -0.01 -0.64 0.07 0.00 0.06 0.00 0.00 58.65 58.13 3d90 h GLN 725 Cb 1.73 0.21 -0.02 0.00 0.30 0.00 0.00 27.48 29.69 3d90 h GLN 725 CO 0.13 1.26 0.28 1.25 -0.67 0.00 0.00 178.83 181.08 3d90 h LEU 726 N 0.06 0.22 -0.09 1.46 5.85 -0.07 0.29 115.31 123.03 3d90 h LEU 726 Ca -0.14 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.43 3d90 h LEU 726 Cb 1.65 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 42.64 3d90 h LEU 726 CO 0.18 0.14 -0.54 -0.07 -0.34 0.00 0.00 178.44 177.81 3d90 h LEU 727 N 0.25 0.63 -1.43 2.25 4.07 -1.41 -2.55 115.31 117.12 3d90 h LEU 727 Ca 0.19 -0.66 -0.04 0.00 0.08 0.00 0.00 57.88 57.45 3d90 h LEU 727 Cb 0.43 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 3d90 h LEU 727 CO -0.04 1.19 -0.02 0.77 -1.08 0.00 0.00 178.44 179.26 3d90 h SER 728 N 0.12 0.32 -0.75 -0.43 4.64 -0.53 -2.15 113.55 114.76 3d90 h SER 728 Ca -0.04 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 3d90 h SER 728 Cb 1.19 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 3d90 h SER 728 CO 0.11 0.39 0.28 0.58 -0.87 0.00 0.00 176.83 177.33 3d90 h VAL 729 N 0.34 1.26 -0.14 0.95 2.07 -0.34 -1.44 116.25 118.95 3d90 h VAL 729 Ca 0.08 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 3d90 h VAL 729 Cb 0.26 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3d90 h VAL 729 CO 0.01 0.33 -0.01 0.58 0.02 0.00 0.00 177.57 178.50 3d90 h VAL 730 N 1.09 1.27 -0.22 2.57 2.07 -0.98 -1.79 116.25 120.27 3d90 h VAL 730 Ca 0.25 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.90 3d90 h VAL 730 Cb 0.24 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3d90 h VAL 730 CO -0.02 0.26 0.05 0.50 0.02 0.00 0.00 177.57 178.38 3d90 h LYS 731 N -0.03 0.13 -0.17 1.57 1.63 -1.38 -2.77 116.57 115.56 3d90 h LYS 731 Ca 0.04 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.88 3d90 h LYS 731 Cb 0.41 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.95 3d90 h LYS 731 CO 0.01 0.09 -0.18 2.35 -3.45 0.00 0.00 179.45 178.27 3d90 h TRP 732 N 0.14 -0.47 -0.12 1.91 7.01 -1.21 -2.05 115.95 121.17 3d90 h TRP 732 Ca 0.10 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.16 3d90 h TRP 732 Cb 0.09 0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 27.38 3d90 h TRP 732 CO -0.14 -0.26 0.09 0.66 -2.79 0.00 0.00 178.44 176.00 3d90 h SER 733 N -0.21 0.00 1.08 2.65 4.64 -1.15 0.13 113.55 120.69 3d90 h SER 733 Ca 0.11 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3d90 h SER 733 Cb 0.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3d90 h SER 733 CO -0.29 0.00 -0.01 0.11 -0.87 0.00 0.00 176.83 175.77 3d90 h LYS 734 N 0.00 0.00 -0.02 4.77 1.57 -1.09 -2.74 116.57 119.06 3d90 h LYS 734 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3d90 h LYS 734 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3d90 h LYS 734 CO -0.00 0.01 -0.04 0.43 -0.57 0.00 0.00 179.45 179.28 3d90 n SER 735 N -3.10 2.07 -4.64 0.86 7.64 0.32 -4.79 113.62 111.98 3d90 n SER 735 Ca 0.01 -1.54 -0.43 0.00 1.01 0.00 0.00 58.87 57.92 3d90 n SER 735 Cb 0.32 0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.56 3d90 n SER 735 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3d90 s LEU 736 N -1.25 3.97 -0.20 -3.43 2.96 -0.41 -4.95 118.68 115.37 3d90 s LEU 736 Ca 0.16 1.26 -0.40 0.00 -0.22 0.00 0.00 54.13 54.93 3d90 s LEU 736 Cb 0.12 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 43.10 3d90 s LEU 736 CO 0.20 -0.92 1.63 -2.65 -1.32 0.00 0.00 176.35 173.28 3d90 n PRO 737 N 6.95 1.07 0.00 0.98 -0.02 -1.26 -1.98 135.00 140.74 3d90 n PRO 737 Ca 0.13 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3d90 n PRO 737 Cb 0.46 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3d90 n PRO 737 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d90 n GLY 738 N 3.73 2.73 0.13 -1.23 0.00 -1.26 -4.90 105.19 104.40 3d90 n GLY 738 Ca 0.25 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 3d90 n GLY 738 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3d90 h PHE 739 N 0.00 -0.20 0.00 1.61 3.57 -1.67 -2.29 116.94 117.95 3d90 h PHE 739 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3d90 h PHE 739 Cb 0.00 0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3d90 h PHE 739 CO 0.00 -0.13 0.05 2.89 -2.23 0.00 0.00 178.31 178.89 3d90 n ARG 740 N -5.21 0.10 0.02 1.11 1.85 -1.26 -1.16 116.66 112.11 3d90 n ARG 740 Ca -0.05 0.59 0.13 0.00 -1.00 0.00 0.00 57.85 57.52 3d90 n ARG 740 Cb 0.14 -1.88 0.35 0.00 -1.05 0.00 0.00 32.46 30.02 3d90 n ARG 740 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3d90 n ASN 741 N -2.04 0.42 -4.83 2.89 5.03 -0.86 -4.84 115.26 111.03 3d90 n ASN 741 Ca -0.01 0.10 -0.32 0.00 0.87 0.00 0.00 54.58 55.22 3d90 n ASN 741 Cb 0.07 -0.07 0.01 0.00 -1.02 0.00 0.00 39.78 38.78 3d90 n ASN 741 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3d90 s LEU 742 N -3.37 3.41 0.49 3.41 1.43 -0.31 -4.98 118.68 118.77 3d90 s LEU 742 Ca 0.11 1.65 -0.23 0.00 -1.03 0.00 0.00 54.13 54.62 3d90 s LEU 742 Cb 0.17 -4.51 -0.07 0.00 0.03 0.00 0.00 46.19 41.81 3d90 s LEU 742 CO 0.65 -1.03 1.31 1.57 0.23 0.00 0.00 176.35 179.08 3d90 n HIS 743 N -2.26 2.21 -0.35 0.29 -0.00 -1.26 -4.75 115.22 109.10 3d90 n HIS 743 Ca 0.07 0.46 0.15 0.00 -0.00 0.00 0.00 57.72 58.40 3d90 n HIS 743 Cb 0.53 -2.37 0.34 0.00 -0.00 0.00 0.00 29.99 28.50 3d90 n HIS 743 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3d90 h ILE 744 N 1.76 0.63 -0.54 3.57 1.08 -1.93 0.21 117.51 122.28 3d90 h ILE 744 Ca -0.50 -0.23 -0.09 0.00 -0.39 0.00 0.00 64.86 63.66 3d90 h ILE 744 Cb 1.30 -0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 3d90 h ILE 744 CO 0.58 0.12 -0.01 0.44 -0.69 0.00 0.00 178.15 178.60 3d90 h ASP 745 N 0.67 0.91 -0.59 1.72 3.32 -2.00 -2.73 116.42 117.72 3d90 h ASP 745 Ca 0.60 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 57.31 3d90 h ASP 745 Cb 1.02 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 3d90 h ASP 745 CO -0.43 0.97 -0.01 0.44 -1.72 0.00 0.00 179.24 178.50 3d90 h ASP 746 N 0.86 1.04 0.48 6.45 3.32 -1.32 -0.50 116.42 126.76 3d90 h ASP 746 Ca 0.16 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 3d90 h ASP 746 Cb 0.52 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3d90 h ASP 746 CO 0.03 1.10 -0.25 1.56 -1.72 0.00 0.00 179.24 179.95 3d90 h GLN 747 N 0.97 -0.66 -0.55 3.56 4.20 -1.26 -0.41 115.11 120.96 3d90 h GLN 747 Ca 0.17 0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.99 3d90 h GLN 747 Cb 0.57 0.15 -0.06 0.00 0.30 0.00 0.00 27.48 28.44 3d90 h GLN 747 CO 0.03 -0.44 0.24 0.82 -0.67 0.00 0.00 178.83 178.81 3d90 h ILE 748 N -0.68 0.86 -0.51 2.54 2.04 -1.43 -0.92 117.51 119.42 3d90 h ILE 748 Ca -0.06 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.65 3d90 h ILE 748 Cb 0.53 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3d90 h ILE 748 CO 0.09 0.08 0.33 0.74 0.00 0.00 0.00 178.15 179.39 3d90 h THR 749 N 0.45 1.11 -0.45 -0.27 2.02 -0.92 -0.51 112.91 114.34 3d90 h THR 749 Ca 0.26 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 3d90 h THR 749 Cb 0.25 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3d90 h THR 749 CO -0.23 0.12 0.02 -0.07 0.37 0.00 0.00 175.52 175.73 3d90 h LEU 750 N 0.66 0.68 -0.66 2.58 3.38 -0.45 0.43 115.31 121.94 3d90 h LEU 750 Ca 0.19 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3d90 h LEU 750 Cb -0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3d90 h LEU 750 CO -0.05 0.74 -0.47 0.40 0.09 0.00 0.00 178.44 179.15 3d90 h ILE 751 N 0.68 0.98 0.00 1.22 2.04 -0.74 -2.27 117.51 119.43 3d90 h ILE 751 Ca 0.14 -1.85 -0.14 0.00 1.00 0.00 0.00 64.86 64.01 3d90 h ILE 751 Cb 0.39 2.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 3d90 h ILE 751 CO 0.01 0.46 -0.83 1.56 0.00 0.00 0.00 178.15 179.35 3d90 h GLN 752 N 0.00 0.00 0.22 2.37 4.20 -0.45 -2.97 115.11 118.47 3d90 h GLN 752 Ca -0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 3d90 h GLN 752 Cb 1.08 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.89 3d90 h GLN 752 CO 0.06 0.55 -1.38 1.88 -0.67 0.00 0.00 178.83 179.27 3d90 h TYR 753 N 0.00 0.85 -0.16 2.96 -1.99 -0.86 -3.40 116.97 114.37 3d90 h TYR 753 Ca -0.05 -0.62 0.00 0.00 2.00 0.00 0.00 58.73 60.06 3d90 h TYR 753 Cb 1.52 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 40.22 3d90 h TYR 753 CO 0.00 1.53 0.00 -1.13 -0.00 0.00 0.00 178.16 178.56 3d90 n SER 754 N -3.80 2.78 -0.05 3.88 3.41 -0.86 -4.71 113.62 114.28 3d90 n SER 754 Ca -0.18 -1.82 -0.08 0.00 -0.26 0.00 0.00 58.87 56.53 3d90 n SER 754 Cb 1.04 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.88 3d90 n SER 754 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3d90 h TRP 755 N 3.53 -0.53 -0.63 7.33 5.08 -1.75 -1.66 115.95 127.32 3d90 h TRP 755 Ca 0.00 0.03 0.13 0.00 1.08 0.00 0.00 58.89 60.13 3d90 h TRP 755 Cb 0.79 0.27 -0.12 0.00 -3.00 0.00 0.00 29.16 27.11 3d90 h TRP 755 CO 0.10 -0.28 -0.14 1.98 -1.28 0.00 0.00 178.44 178.82 3d90 h MET 756 N -0.21 0.01 -0.97 0.12 4.05 -1.89 0.11 114.93 116.16 3d90 h MET 756 Ca 0.14 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.58 3d90 h MET 756 Cb 0.41 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.16 3d90 h MET 756 CO -0.36 0.01 0.64 0.77 0.23 0.00 0.00 176.91 178.20 3d90 h SER 757 N 0.01 1.07 -0.16 1.39 0.02 -1.74 -1.46 113.55 112.69 3d90 h SER 757 Ca 0.31 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 3d90 h SER 757 Cb 0.48 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3d90 h SER 757 CO -0.64 0.75 0.05 -0.07 -1.14 0.00 0.00 176.83 175.78 3d90 h LEU 758 N 1.25 0.23 -0.07 5.07 3.38 0.06 -1.72 115.31 123.51 3d90 h LEU 758 Ca 0.38 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3d90 h LEU 758 Cb -0.05 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3d90 h LEU 758 CO -0.11 0.37 0.02 0.24 0.09 0.00 0.00 178.44 179.05 3d90 h MET 759 N 0.07 0.11 -0.29 1.13 2.86 -0.81 0.37 114.93 118.38 3d90 h MET 759 Ca 0.05 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3d90 h MET 759 Cb 0.22 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3d90 h MET 759 CO -0.00 0.27 -0.03 -0.24 1.06 0.00 0.00 176.91 177.97 3d90 h VAL 760 N -0.07 1.19 -0.24 -2.22 3.04 -1.32 -0.23 116.25 116.40 3d90 h VAL 760 Ca 0.02 -0.78 -0.14 0.00 -1.01 0.00 0.00 66.70 64.79 3d90 h VAL 760 Cb 0.21 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.49 3d90 h VAL 760 CO -0.00 0.26 -0.44 0.15 -1.01 0.00 0.00 177.57 176.53 3d90 h PHE 761 N 0.43 0.72 -0.17 3.17 3.57 -1.06 -0.81 116.94 122.80 3d90 h PHE 761 Ca 0.09 -0.22 -0.10 0.00 3.53 0.00 0.00 57.97 61.27 3d90 h PHE 761 Cb 0.34 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3d90 h PHE 761 CO 0.01 0.94 -0.35 0.78 -2.23 0.00 0.00 178.31 177.46 3d90 h GLY 762 N 1.03 0.38 1.00 2.40 0.00 -0.32 -2.64 103.07 104.93 3d90 h GLY 762 Ca 0.03 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 3d90 h GLY 762 CO 0.09 0.31 0.01 -2.00 0.00 0.00 0.00 176.54 174.94 3d90 h LEU 763 N 0.30 0.83 -1.66 3.11 5.85 -0.56 -1.24 115.31 121.93 3d90 h LEU 763 Ca 0.04 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3d90 h LEU 763 Cb 0.76 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3d90 h LEU 763 CO 0.06 0.93 0.21 1.23 -0.34 0.00 0.00 178.44 180.53 3d90 h GLY 764 N 0.70 0.47 0.66 3.75 0.00 -0.83 -1.88 103.07 105.93 3d90 h GLY 764 Ca 0.14 -0.18 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 3d90 h GLY 764 CO 0.02 0.17 -0.77 -0.25 0.00 0.00 0.00 176.54 175.71 3d90 h TRP 765 N 0.45 0.52 0.00 5.60 2.91 -1.23 -3.06 115.95 121.14 3d90 h TRP 765 Ca 0.12 -0.38 -0.01 0.00 1.13 0.00 0.00 58.89 59.75 3d90 h TRP 765 Cb -0.04 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 28.59 3d90 h TRP 765 CO 0.00 1.29 -0.03 0.00 -1.03 0.00 0.00 178.44 178.68 3d90 h ARG 766 N -0.40 0.00 0.01 2.65 3.08 -1.02 -0.93 114.38 117.77 3d90 h ARG 766 Ca -0.13 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 3d90 h ARG 766 Cb 1.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.67 3d90 h ARG 766 CO 0.15 0.03 -0.20 0.77 -1.07 0.00 0.00 179.97 179.64 3d90 h SER 767 N 0.00 0.16 0.02 7.04 0.02 -1.43 -3.03 113.55 116.33 3d90 h SER 767 Ca -0.00 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 3d90 h SER 767 Cb 0.06 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 3d90 h SER 767 CO 0.00 0.97 -0.02 0.22 -1.14 0.00 0.00 176.83 176.86 3d90 h TYR 768 N -0.62 -0.05 0.00 3.45 3.20 -1.35 -0.44 116.97 121.16 3d90 h TYR 768 Ca -0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3d90 h TYR 768 Cb 1.01 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.30 3d90 h TYR 768 CO 0.20 -0.03 0.00 -0.22 -1.64 0.00 0.00 178.16 176.47 3d90 h LYS 769 N -0.05 0.00 0.00 1.82 3.64 -1.33 -3.30 116.57 117.35 3d90 h LYS 769 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3d90 h LYS 769 Cb 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3d90 h LYS 769 CO -0.01 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.89 3d90 n HIS 770 N -2.46 0.00 0.69 1.91 8.25 -1.14 -4.76 115.22 117.72 3d90 n HIS 770 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3d90 n HIS 770 Cb 0.33 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 3d90 n HIS 770 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 3d90 n VAL 771 N -1.36 0.46 -0.55 1.59 0.24 -1.01 -4.72 118.33 112.98 3d90 n VAL 771 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3d90 n VAL 771 Cb 0.00 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 31.69 3d90 n VAL 771 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3d90 n SER 772 N 0.49 -0.26 -0.17 -1.34 7.64 -1.19 -1.95 113.62 116.83 3d90 n SER 772 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3d90 n SER 772 Cb 0.29 -2.40 0.00 0.00 -1.01 0.00 0.00 64.21 61.08 3d90 n SER 772 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d90 n GLY 773 N -1.87 1.03 0.06 0.23 0.00 -0.20 -4.80 105.19 99.63 3d90 n GLY 773 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.62 3d90 n GLY 773 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3d90 n GLN 774 N -0.54 0.31 -3.79 1.61 1.13 -0.82 -4.76 117.38 110.51 3d90 n GLN 774 Ca 0.00 -0.87 -0.11 0.00 -1.94 0.00 0.00 57.00 54.08 3d90 n GLN 774 Cb 0.27 -1.03 -0.08 0.00 0.11 0.00 0.00 30.24 29.51 3d90 n GLN 774 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3d90 s MET 775 N -0.38 0.75 -0.59 -1.09 -1.94 -1.26 -4.52 119.30 110.27 3d90 s MET 775 Ca 0.02 -0.54 -0.28 0.00 -1.71 0.00 0.00 55.69 53.18 3d90 s MET 775 Cb 0.01 0.32 0.02 0.00 2.01 0.00 0.00 34.83 37.20 3d90 s MET 775 CO 0.02 -0.23 1.29 -0.51 -0.01 0.00 0.00 175.02 175.58 3d90 s LEU 776 N -2.03 3.40 -1.19 -0.03 1.43 -0.36 -4.73 118.68 115.18 3d90 s LEU 776 Ca -0.06 0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 53.04 3d90 s LEU 776 Cb -0.01 -3.06 0.20 0.00 0.03 0.00 0.00 46.19 43.34 3d90 s LEU 776 CO -0.03 -1.61 1.36 -0.47 0.23 0.00 0.00 176.35 175.83 3d90 s TYR 777 N 5.46 3.69 0.17 0.29 6.14 -1.26 -1.64 117.35 130.20 3d90 s TYR 777 Ca 0.46 -2.28 -0.03 0.00 0.64 0.00 0.00 57.07 55.86 3d90 s TYR 777 Cb -0.09 -4.20 0.05 0.00 0.42 0.00 0.00 41.96 38.15 3d90 s TYR 777 CO 0.24 -1.29 1.44 0.74 0.64 0.00 0.00 175.55 177.33 3d90 h PHE 778 N 7.02 0.64 -2.17 4.97 -1.00 -1.84 -3.41 116.94 121.15 3d90 h PHE 778 Ca 0.28 -0.27 0.15 0.00 2.81 0.00 0.00 57.97 60.95 3d90 h PHE 778 Cb 0.87 -0.10 -0.13 0.00 3.61 0.00 0.00 35.95 40.19 3d90 h PHE 778 CO 1.02 1.02 0.54 0.00 -1.61 0.00 0.00 178.31 179.28 3d90 s ALA 779 N -3.73 -1.83 0.44 2.45 0.00 -1.13 -4.96 121.76 113.01 3d90 s ALA 779 Ca -0.07 0.82 0.39 0.00 0.00 0.00 0.00 51.96 53.10 3d90 s ALA 779 Cb 0.10 0.42 2.11 0.00 0.00 0.00 0.00 23.12 25.76 3d90 s ALA 779 CO 0.85 -0.79 2.20 -1.35 0.00 0.00 0.00 175.76 176.66 3d90 h PRO 780 N 2.00 0.00 -0.24 0.00 0.11 -1.92 -0.72 132.00 131.23 3d90 h PRO 780 Ca -0.22 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.86 3d90 h PRO 780 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3d90 h PRO 780 CO 0.28 0.00 -0.01 -0.40 -0.21 0.00 0.00 178.00 177.66 3d90 n ASP 781 N -2.90 3.41 -2.82 -2.05 5.75 -1.26 -4.78 116.55 111.89 3d90 n ASP 781 Ca -0.02 -3.16 -0.03 0.00 -0.01 0.00 0.00 54.79 51.56 3d90 n ASP 781 Cb 0.08 -0.54 0.01 0.00 -1.03 0.00 0.00 41.12 39.63 3d90 n ASP 781 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3d90 s LEU 782 N -2.91 -1.33 -0.30 -2.12 2.96 -0.28 -4.53 118.68 110.16 3d90 s LEU 782 Ca 0.41 -1.44 0.02 0.00 -0.22 0.00 0.00 54.13 52.91 3d90 s LEU 782 Cb 0.34 1.74 0.07 0.00 0.50 0.00 0.00 46.19 48.85 3d90 s LEU 782 CO 0.06 -0.06 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.38 3d90 s ILE 783 N 1.05 2.39 -0.55 6.68 1.01 -1.25 -2.54 121.20 127.97 3d90 s ILE 783 Ca 0.27 -1.86 -0.25 0.00 0.00 0.00 0.00 60.65 58.81 3d90 s ILE 783 Cb 0.01 -2.53 0.04 0.00 0.01 0.00 0.00 42.46 39.98 3d90 s ILE 783 CO -0.06 -0.27 0.97 -0.76 0.00 0.00 0.00 174.94 174.82 3d90 s LEU 784 N 1.06 4.02 0.95 2.97 1.43 -0.65 -4.85 118.68 123.61 3d90 s LEU 784 Ca -0.01 -0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 52.65 3d90 s LEU 784 Cb -0.20 -2.87 0.17 0.00 0.03 0.00 0.00 46.19 43.32 3d90 s LEU 784 CO -0.05 -1.26 1.19 0.54 0.23 0.00 0.00 176.35 177.00 3d90 s ASN 785 N 2.86 3.20 0.20 2.29 2.20 -1.26 -1.22 114.94 123.20 3d90 s ASN 785 Ca 0.32 0.70 -0.11 0.00 -0.94 0.00 0.00 52.86 52.83 3d90 s ASN 785 Cb -0.12 -1.07 0.24 0.00 -2.00 0.00 0.00 41.25 38.30 3d90 s ASN 785 CO 0.20 -2.72 1.75 -0.33 -2.94 0.00 0.00 177.10 173.06 3d90 h GLU 786 N -1.62 0.38 0.00 3.55 5.08 -1.97 -0.78 114.58 119.22 3d90 h GLU 786 Ca -0.47 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 57.81 3d90 h GLU 786 Cb 1.30 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3d90 h GLU 786 CO 0.52 0.25 -0.26 0.37 -1.00 0.00 0.00 179.01 178.89 3d90 h GLN 787 N 0.39 0.00 0.00 2.33 5.75 -1.98 -0.70 115.11 120.90 3d90 h GLN 787 Ca 0.28 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.78 3d90 h GLN 787 Cb 0.33 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.88 3d90 h GLN 787 CO -0.28 0.26 -0.02 -0.09 -2.65 0.00 0.00 178.83 176.05 3d90 h ARG 788 N 0.00 0.00 0.09 1.69 2.43 -1.54 -3.06 114.38 113.99 3d90 h ARG 788 Ca -0.00 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.91 3d90 h ARG 788 Cb 0.53 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3d90 h ARG 788 CO 0.03 0.02 -1.22 0.52 -1.51 0.00 0.00 179.97 177.81 3d90 h MET 789 N 0.00 0.19 -0.66 0.20 2.86 0.18 -3.20 114.93 114.50 3d90 h MET 789 Ca -0.00 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 3d90 h MET 789 Cb 0.83 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.58 3d90 h MET 789 CO 0.00 1.13 0.41 0.87 1.06 0.00 0.00 176.91 180.39 3d90 h LYS 790 N 0.05 0.89 -0.04 1.72 6.56 -1.28 -2.17 116.57 122.30 3d90 h LYS 790 Ca -0.11 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.40 3d90 h LYS 790 Cb 1.92 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 33.39 3d90 h LYS 790 CO 0.18 0.62 0.00 0.39 -2.06 0.00 0.00 179.45 178.57 3d90 n GLU 791 N -4.59 1.41 -0.14 3.15 1.02 -1.23 -4.24 120.64 116.02 3d90 n GLU 791 Ca 0.05 -0.60 0.10 0.00 -0.02 0.00 0.00 57.16 56.70 3d90 n GLU 791 Cb 0.04 -1.45 0.43 0.00 -0.02 0.00 0.00 31.44 30.45 3d90 n GLU 791 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3d90 h SER 792 N 1.37 0.51 0.00 1.62 4.64 -1.38 -3.46 113.55 116.85 3d90 h SER 792 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3d90 h SER 792 Cb 0.29 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3d90 h SER 792 CO 0.00 0.31 0.00 -0.24 -0.87 0.00 0.00 176.83 176.03 3d90 n SER 793 N -4.48 -1.81 -1.31 4.97 2.88 -1.26 -4.71 113.62 107.90 3d90 n SER 793 Ca 0.11 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.59 3d90 n SER 793 Cb 0.33 -0.30 -0.03 0.00 -0.75 0.00 0.00 64.21 63.46 3d90 n SER 793 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 3d90 n PHE 794 N -2.60 -0.41 -0.22 0.66 -1.74 -1.26 -4.97 117.46 106.92 3d90 n PHE 794 Ca 0.00 -0.70 0.31 0.00 -0.56 0.00 0.00 57.45 56.50 3d90 n PHE 794 Cb 0.00 0.70 0.68 0.00 1.52 0.00 0.00 39.48 42.38 3d90 n PHE 794 CO 0.00 0.00 0.00 -0.92 -0.56 0.00 0.00 176.76 175.28 3d90 h TYR 795 N 0.20 0.00 0.04 2.97 3.20 -1.84 0.17 116.97 121.70 3d90 h TYR 795 Ca -0.51 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.36 3d90 h TYR 795 Cb 1.33 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.60 3d90 h TYR 795 CO -0.16 0.00 -0.02 0.66 -1.64 0.00 0.00 178.16 177.01 3d90 h SER 796 N 0.00 -0.04 -0.30 -2.11 4.64 -1.93 -2.69 113.55 111.11 3d90 h SER 796 Ca 0.48 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.65 3d90 h SER 796 Cb 2.24 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 64.32 3d90 h SER 796 CO -0.01 0.06 -0.02 0.25 -0.87 0.00 0.00 176.83 176.25 3d90 h LEU 797 N -0.14 0.63 -2.01 5.97 5.85 -1.11 -2.18 115.31 122.32 3d90 h LEU 797 Ca -0.01 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3d90 h LEU 797 Cb 0.13 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3d90 h LEU 797 CO 0.01 0.71 0.00 0.00 -0.34 0.00 0.00 178.44 178.82 3d90 h LEU 799 N 0.00 0.00 -1.00 0.00 3.38 -1.17 -2.65 115.31 113.86 3d90 h LEU 799 Ca 0.00 -0.63 0.13 0.00 0.09 0.00 0.00 57.88 57.47 3d90 h LEU 799 Cb 0.04 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.71 3d90 h LEU 799 CO 0.00 1.18 0.63 0.74 0.09 0.00 0.00 178.44 181.08 3d90 h THR 800 N -1.00 0.89 -0.59 0.22 2.02 -1.46 -0.48 112.91 112.51 3d90 h THR 800 Ca -0.16 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.60 3d90 h THR 800 Cb 1.04 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3d90 h THR 800 CO -0.10 0.18 0.04 0.24 0.37 0.00 0.00 175.52 176.25 3d90 h MET 801 N 0.97 1.02 0.00 6.66 2.86 -1.41 -2.71 114.93 122.32 3d90 h MET 801 Ca 0.51 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3d90 h MET 801 Cb 0.54 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3d90 h MET 801 CO -0.28 0.99 0.00 1.87 1.06 0.00 0.00 176.91 180.55 3d90 n TRP 802 N -4.25 0.00 0.06 -0.22 -0.00 -0.25 -3.39 117.44 109.39 3d90 n TRP 802 Ca 0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.46 3d90 n TRP 802 Cb 0.32 0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.51 3d90 n TRP 802 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 3d90 h GLN 803 N 0.00 0.00 0.05 5.87 4.20 -1.06 -3.31 115.11 120.86 3d90 h GLN 803 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3d90 h GLN 803 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3d90 h GLN 803 CO 0.00 0.96 -0.03 0.82 -0.67 0.00 0.00 178.83 179.92 3d90 h ILE 804 N 0.00 1.30 -0.30 2.54 2.04 -1.73 -2.63 117.51 118.73 3d90 h ILE 804 Ca -0.03 -1.46 0.07 0.00 1.00 0.00 0.00 64.86 64.45 3d90 h ILE 804 Cb 1.78 2.21 -0.01 0.00 -0.74 0.00 0.00 36.82 40.06 3d90 h ILE 804 CO 0.13 0.35 0.21 1.55 0.00 0.00 0.00 178.15 180.39 3d90 h PRO 805 N -0.75 0.06 -0.04 2.37 0.13 -1.73 -0.58 132.00 131.47 3d90 h PRO 805 Ca -0.01 -0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.87 3d90 h PRO 805 Cb 0.63 -0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.76 3d90 h PRO 805 CO 0.01 0.04 -0.96 1.96 -0.23 0.00 0.00 178.00 178.82 3d90 h GLN 806 N 0.06 0.67 0.00 0.86 1.08 -1.65 -2.68 115.11 113.46 3d90 h GLN 806 Ca 0.14 -0.68 0.00 0.00 -1.45 0.00 0.00 58.65 56.66 3d90 h GLN 806 Cb 0.48 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 3d90 h GLN 806 CO -0.01 1.27 0.00 0.93 -0.95 0.00 0.00 178.83 180.07 3d90 h GLU 807 N 0.40 0.00 0.12 1.46 4.39 -0.75 -0.00 114.58 120.19 3d90 h GLU 807 Ca -0.10 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.30 3d90 h GLU 807 Cb 1.61 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.25 3d90 h GLU 807 CO 0.19 0.00 -1.44 0.74 -1.16 0.00 0.00 179.01 177.34 3d90 h PHE 808 N 0.00 0.45 -0.02 4.33 0.05 -0.97 -2.81 116.94 117.98 3d90 h PHE 808 Ca 0.00 -0.33 -0.15 0.00 3.82 0.00 0.00 57.97 61.30 3d90 h PHE 808 Cb 0.19 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.10 3d90 h PHE 808 CO 0.00 1.34 -0.70 0.28 -0.18 0.00 0.00 178.31 179.05 3d90 h VAL 809 N 0.07 1.47 0.75 -0.55 2.07 -0.82 0.14 116.25 119.37 3d90 h VAL 809 Ca -0.21 -2.30 -0.04 0.00 0.82 0.00 0.00 66.70 64.98 3d90 h VAL 809 Cb 2.00 2.23 0.01 0.00 -1.52 0.00 0.00 31.29 34.01 3d90 h VAL 809 CO 0.17 0.66 -0.36 0.50 0.02 0.00 0.00 177.57 178.57 3d90 h LYS 810 N 0.06 -0.96 0.00 1.57 3.64 -1.11 -3.24 116.57 116.53 3d90 h LYS 810 Ca -0.01 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3d90 h LYS 810 Cb 1.23 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 3d90 h LYS 810 CO 0.10 -0.62 -0.01 -0.07 -2.27 0.00 0.00 179.45 176.58 3d90 h LEU 811 N -1.17 0.00 -1.48 5.20 3.38 -1.54 -3.47 115.31 116.22 3d90 h LEU 811 Ca -0.10 -0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.45 3d90 h LEU 811 Cb 0.79 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.61 3d90 h LEU 811 CO 0.17 0.00 -0.79 0.00 0.09 0.00 0.00 178.44 177.91 3d90 n GLN 812 N -2.30 -5.73 -1.70 1.13 -0.00 0.49 -4.86 117.38 104.40 3d90 n GLN 812 Ca 0.05 0.68 -0.42 0.00 -0.00 0.00 0.00 57.00 57.32 3d90 n GLN 812 Cb 0.44 -5.46 -0.00 0.00 -0.00 0.00 0.00 30.24 25.22 3d90 n GLN 812 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3d90 n VAL 813 N -4.42 2.10 -2.66 -0.39 0.31 -1.16 -4.99 118.33 107.12 3d90 n VAL 813 Ca -0.19 -0.50 -0.25 0.00 -0.01 0.00 0.00 64.34 63.39 3d90 n VAL 813 Cb 0.63 -1.58 0.02 0.00 -0.91 0.00 0.00 33.84 32.00 3d90 n VAL 813 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3d90 s SER 814 N -0.35 5.70 0.18 4.52 1.04 -1.26 -4.95 113.70 118.58 3d90 s SER 814 Ca 0.56 0.51 -0.10 0.00 0.48 0.00 0.00 55.95 57.40 3d90 s SER 814 Cb -0.55 -1.61 0.08 0.00 0.10 0.00 0.00 66.02 64.03 3d90 s SER 814 CO 0.62 -0.90 1.69 -0.61 0.98 0.00 0.00 173.24 175.02 3d90 h GLN 815 N 0.09 1.01 -0.99 4.02 4.15 -1.98 -0.10 115.11 121.30 3d90 h GLN 815 Ca -0.46 -0.24 0.02 0.00 0.77 0.00 0.00 58.65 58.75 3d90 h GLN 815 Cb 1.25 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.76 3d90 h GLN 815 CO 0.59 0.91 0.65 0.93 -1.93 0.00 0.00 178.83 179.99 3d90 h GLU 816 N 0.92 1.26 -0.28 1.69 3.07 -1.95 -0.37 114.58 118.93 3d90 h GLU 816 Ca 0.20 -0.08 -0.18 0.00 -0.50 0.00 0.00 59.36 58.80 3d90 h GLU 816 Cb 0.36 -0.28 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3d90 h GLU 816 CO 0.00 0.83 -0.55 0.93 -1.40 0.00 0.00 179.01 178.83 3d90 h GLU 817 N 1.30 0.83 0.56 2.33 5.08 -1.77 -2.91 114.58 120.00 3d90 h GLU 817 Ca 0.38 -0.53 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3d90 h GLU 817 Cb -0.07 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3d90 h GLU 817 CO -0.10 1.16 -0.42 0.35 -1.00 0.00 0.00 179.01 179.00 3d90 h PHE 818 N 0.64 -1.14 -0.77 4.33 3.57 -0.22 -0.26 116.94 123.09 3d90 h PHE 818 Ca 0.01 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.66 3d90 h PHE 818 Cb 1.15 0.42 -0.10 0.00 2.79 0.00 0.00 35.95 40.21 3d90 h PHE 818 CO 0.07 -0.59 0.33 -0.07 -2.23 0.00 0.00 178.31 175.81 3d90 h LEU 819 N -0.94 0.32 -0.49 0.59 3.38 -1.18 -0.22 115.31 116.77 3d90 h LEU 819 Ca -0.07 0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3d90 h LEU 819 Cb 0.78 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3d90 h LEU 819 CO 0.03 0.12 -0.01 0.00 0.09 0.00 0.00 178.44 178.67 3d90 h MET 821 N 0.74 1.12 -0.93 0.00 2.86 0.07 -1.86 114.93 116.93 3d90 h MET 821 Ca 0.14 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3d90 h MET 821 Cb 0.53 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 3d90 h MET 821 CO 0.03 0.98 0.60 -0.22 1.06 0.00 0.00 176.91 179.36 3d90 h LYS 822 N 1.07 1.24 -0.68 1.72 3.64 -0.99 0.41 116.57 122.98 3d90 h LYS 822 Ca 0.22 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3d90 h LYS 822 Cb 0.35 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 3d90 h LYS 822 CO -0.00 0.84 0.16 0.28 -2.27 0.00 0.00 179.45 178.46 3d90 h VAL 823 N 1.27 1.26 -0.08 2.00 2.07 -1.21 -2.04 116.25 119.53 3d90 h VAL 823 Ca 0.34 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 3d90 h VAL 823 Cb -0.11 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3d90 h VAL 823 CO -0.07 0.37 -0.19 -0.07 0.02 0.00 0.00 177.57 177.63 3d90 h LEU 824 N 1.03 0.12 -0.64 2.57 3.38 -0.40 -2.25 115.31 119.12 3d90 h LEU 824 Ca 0.21 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 3d90 h LEU 824 Cb 0.37 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3d90 h LEU 824 CO 0.00 0.32 -0.43 -0.07 0.09 0.00 0.00 178.44 178.36 3d90 h LEU 825 N 0.12 0.61 -1.61 1.67 3.38 -0.29 -0.38 115.31 118.82 3d90 h LEU 825 Ca 0.02 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3d90 h LEU 825 Cb 0.41 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3d90 h LEU 825 CO 0.03 0.96 0.00 0.25 0.09 0.00 0.00 178.44 179.77 3d90 h LEU 826 N 0.46 0.00 -2.92 1.67 5.85 -0.84 -2.82 115.31 116.71 3d90 h LEU 826 Ca 0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3d90 h LEU 826 Cb 0.94 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3d90 h LEU 826 CO 0.08 0.00 -0.20 0.18 -0.34 0.00 0.00 178.44 178.16 3d90 n LEU 827 N -2.81 2.22 -0.44 2.25 4.77 -0.85 -4.75 117.00 117.39 3d90 n LEU 827 Ca -0.00 -3.11 0.13 0.00 -0.03 0.00 0.00 56.01 53.00 3d90 n LEU 827 Cb 0.21 -0.41 0.35 0.00 -2.33 0.00 0.00 43.42 41.25 3d90 n LEU 827 CO 0.22 0.85 0.69 -3.20 -1.33 0.00 0.00 177.39 174.62 3d90 n ASN 828 N -1.18 1.54 -3.72 -1.43 5.15 -0.21 -4.85 115.26 110.55 3d90 n ASN 828 Ca 0.15 -1.31 -0.15 0.00 -0.60 0.00 0.00 54.58 52.68 3d90 n ASN 828 Cb 0.67 0.11 -0.15 0.00 -0.53 0.00 0.00 39.78 39.89 3d90 n ASN 828 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3d90 s THR 829 N -2.26 -0.11 0.32 -0.44 2.01 -1.26 -0.49 115.64 113.40 3d90 s THR 829 Ca 0.29 0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.58 3d90 s THR 829 Cb 0.20 -0.24 -0.06 0.00 0.01 0.00 0.00 72.50 72.41 3d90 s THR 829 CO 0.44 0.10 0.04 0.27 -0.69 0.00 0.00 174.62 174.78 3d90 s ILE 830 N 1.53 1.26 0.68 1.82 -4.36 -0.84 -4.88 121.20 116.40 3d90 s ILE 830 Ca -0.05 -2.02 -0.15 0.00 -0.26 0.00 0.00 60.65 58.17 3d90 s ILE 830 Cb -0.12 -2.73 0.01 0.00 1.25 0.00 0.00 42.46 40.87 3d90 s ILE 830 CO -0.06 -0.06 1.15 -2.84 0.24 0.00 0.00 174.94 173.37 3d90 s PRO 831 N -3.87 2.58 0.25 0.37 0.02 -1.26 -0.41 135.00 132.67 3d90 s PRO 831 Ca 0.35 1.55 -0.05 0.00 0.02 0.00 0.00 61.00 62.87 3d90 s PRO 831 Cb 0.08 -1.91 0.27 0.00 0.02 0.00 0.00 34.50 32.97 3d90 s PRO 831 CO 0.15 -1.45 1.86 -0.07 -0.33 0.00 0.00 177.00 177.15 3d90 h LEU 832 N -0.02 1.04 -0.57 -5.54 3.38 -1.87 -0.94 115.31 110.80 3d90 h LEU 832 Ca -0.47 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.39 3d90 h LEU 832 Cb 1.27 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3d90 h LEU 832 CO 0.53 0.86 0.00 -1.84 0.09 0.00 0.00 178.44 178.07 3d90 n GLU 833 N -4.33 1.34 -0.16 1.13 0.00 -1.26 -4.98 120.64 112.38 3d90 n GLU 833 Ca 0.08 -0.48 0.02 0.00 0.00 0.00 0.00 57.16 56.79 3d90 n GLU 833 Cb 0.12 -1.15 -0.01 0.00 0.00 0.00 0.00 31.44 30.40 3d90 n GLU 833 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3d90 n GLY 834 N 0.65 -2.18 3.87 -1.84 0.00 -0.36 -4.97 105.19 100.37 3d90 n GLY 834 Ca 0.04 -1.47 -0.23 0.00 0.00 0.00 0.00 46.02 44.37 3d90 n GLY 834 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d90 s LEU 835 N 0.00 4.01 0.06 0.99 1.43 -1.26 -4.46 118.68 119.45 3d90 s LEU 835 Ca 0.00 -0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 52.73 3d90 s LEU 835 Cb 0.00 -2.56 -0.17 0.00 0.03 0.00 0.00 46.19 43.49 3d90 s LEU 835 CO 0.00 -0.03 1.56 0.03 0.23 0.00 0.00 176.35 178.14 3d90 h ARG 836 N 1.56 -0.31 -2.10 1.70 2.47 -1.96 -2.85 114.38 112.89 3d90 h ARG 836 Ca -0.49 0.02 -0.58 0.00 -1.26 0.00 0.00 59.98 57.67 3d90 h ARG 836 Cb 1.23 0.07 -0.18 0.00 -1.65 0.00 0.00 29.97 29.43 3d90 h ARG 836 CO 0.62 -0.12 0.80 0.43 0.56 0.00 0.00 179.97 182.26 3d90 n SER 837 N -5.18 6.87 -0.35 7.04 7.64 -1.26 -4.71 113.62 123.68 3d90 n SER 837 Ca -0.09 -3.30 0.05 0.00 1.01 0.00 0.00 58.87 56.55 3d90 n SER 837 Cb 0.19 -1.23 0.22 0.00 -1.01 0.00 0.00 64.21 62.38 3d90 n SER 837 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3d90 h GLN 838 N 3.28 1.02 0.78 1.43 5.75 -1.91 -0.25 115.11 125.21 3d90 h GLN 838 Ca 0.47 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.87 3d90 h GLN 838 Cb 0.55 -0.23 0.01 0.00 1.07 0.00 0.00 27.48 28.88 3d90 h GLN 838 CO 1.05 0.68 -0.38 1.15 -2.65 0.00 0.00 178.83 178.68 3d90 h THR 839 N 1.05 0.03 -0.82 2.39 2.02 -1.89 0.71 112.91 116.40 3d90 h THR 839 Ca 0.46 -0.22 0.12 0.00 0.77 0.00 0.00 66.41 67.53 3d90 h THR 839 Cb 0.35 0.03 -0.08 0.00 -1.74 0.00 0.00 68.15 66.71 3d90 h THR 839 CO -0.22 0.00 0.45 1.56 0.37 0.00 0.00 175.52 177.68 3d90 h GLN 840 N -1.27 0.68 -0.57 6.66 4.20 -1.91 -0.66 115.11 122.24 3d90 h GLN 840 Ca -0.11 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 3d90 h GLN 840 Cb 0.81 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 3d90 h GLN 840 CO 0.18 0.45 0.19 0.35 -0.67 0.00 0.00 178.83 179.33 3d90 h PHE 841 N 0.70 0.91 -0.16 2.96 3.04 -1.01 0.64 116.94 124.02 3d90 h PHE 841 Ca 0.42 -0.09 0.03 0.00 3.98 0.00 0.00 57.97 62.32 3d90 h PHE 841 Cb 0.48 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 3d90 h PHE 841 CO -0.08 0.76 0.11 1.49 -2.02 0.00 0.00 178.31 178.57 3d90 h GLU 842 N 0.80 0.06 0.21 1.11 4.57 0.57 -1.58 114.58 120.33 3d90 h GLU 842 Ca 0.19 -0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 58.03 3d90 h GLU 842 Cb 0.27 -0.01 0.02 0.00 -0.16 0.00 0.00 28.75 28.87 3d90 h GLU 842 CO -0.01 0.04 -1.53 0.93 -1.18 0.00 0.00 179.01 177.26 3d90 h GLU 843 N 0.06 0.45 -0.22 1.92 5.08 -0.17 -2.96 114.58 118.74 3d90 h GLU 843 Ca 0.07 -0.78 -0.02 0.00 -1.00 0.00 0.00 59.36 57.63 3d90 h GLU 843 Cb 0.21 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3d90 h GLU 843 CO -0.01 1.36 0.06 1.98 -1.00 0.00 0.00 179.01 181.41 3d90 h MET 844 N 0.12 0.35 -0.42 2.33 4.05 -0.40 -1.66 114.93 119.31 3d90 h MET 844 Ca -0.27 -0.08 -0.07 0.00 -0.28 0.00 0.00 59.70 59.00 3d90 h MET 844 Cb 2.12 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.86 3d90 h MET 844 CO 0.24 0.46 -0.02 -0.09 0.23 0.00 0.00 176.91 177.72 3d90 h ARG 845 N 0.18 0.76 -0.90 0.39 2.43 -1.45 -1.59 114.38 114.20 3d90 h ARG 845 Ca 0.07 -0.26 0.08 0.00 -0.81 0.00 0.00 59.98 59.06 3d90 h ARG 845 Cb 0.26 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.68 3d90 h ARG 845 CO -0.00 0.85 0.56 0.77 -1.51 0.00 0.00 179.97 180.64 3d90 h SER 846 N 0.60 0.87 0.14 -3.80 0.02 -1.46 0.18 113.55 110.09 3d90 h SER 846 Ca 0.12 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 3d90 h SER 846 Cb 0.52 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3d90 h SER 846 CO 0.03 0.53 -0.47 0.28 -1.14 0.00 0.00 176.83 176.06 3d90 h SER 847 N 0.99 0.42 0.93 3.07 0.02 -1.04 -2.12 113.55 115.82 3d90 h SER 847 Ca 0.41 -0.20 -0.15 0.00 -0.84 0.00 0.00 61.79 61.01 3d90 h SER 847 Cb 0.25 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3d90 h SER 847 CO -0.20 0.83 -0.70 1.88 -1.14 0.00 0.00 176.83 177.50 3d90 h TYR 848 N 0.32 0.00 -0.09 3.45 0.05 -0.42 -1.64 116.97 118.62 3d90 h TYR 848 Ca 0.02 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 3d90 h TYR 848 Cb 0.94 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.68 3d90 h TYR 848 CO 0.03 0.70 -0.01 0.82 -1.05 0.00 0.00 178.16 178.65 3d90 h ILE 849 N 0.00 1.28 -0.00 -2.88 2.04 -0.86 -1.45 117.51 115.63 3d90 h ILE 849 Ca -0.01 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 64.97 3d90 h ILE 849 Cb 1.36 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 39.12 3d90 h ILE 849 CO 0.09 0.25 0.00 0.03 0.00 0.00 0.00 178.15 178.52 3d90 h ARG 850 N -0.13 0.00 0.00 2.37 3.08 -1.29 -0.14 114.38 118.27 3d90 h ARG 850 Ca 0.03 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3d90 h ARG 850 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3d90 h ARG 850 CO 0.01 0.00 -0.24 1.49 -1.07 0.00 0.00 179.97 180.16 3d90 h GLU 851 N 0.00 0.00 -0.12 0.04 4.57 -0.63 -3.06 114.58 115.39 3d90 h GLU 851 Ca 0.00 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.01 3d90 h GLU 851 Cb 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3d90 h GLU 851 CO -0.00 0.24 -0.63 1.25 -1.18 0.00 0.00 179.01 178.69 3d90 h LEU 852 N 0.00 0.49 -0.97 1.64 5.85 0.01 -2.46 115.31 119.87 3d90 h LEU 852 Ca -0.00 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 3d90 h LEU 852 Cb 1.11 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 3d90 h LEU 852 CO 0.03 1.00 0.18 0.40 -0.34 0.00 0.00 178.44 179.70 3d90 h ILE 853 N 0.31 1.23 -0.58 4.05 2.04 -1.40 -1.51 117.51 121.65 3d90 h ILE 853 Ca -0.01 -0.82 -0.09 0.00 1.00 0.00 0.00 64.86 64.94 3d90 h ILE 853 Cb 1.18 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3d90 h ILE 853 CO 0.11 0.31 0.01 0.11 0.00 0.00 0.00 178.15 178.69 3d90 h LYS 854 N 0.90 1.01 -0.62 2.37 1.57 -1.43 -0.33 116.57 120.03 3d90 h LYS 854 Ca 0.20 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3d90 h LYS 854 Cb 0.28 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3d90 h LYS 854 CO -0.01 0.99 0.32 0.00 -0.57 0.00 0.00 179.45 180.18 3d90 h ALA 855 N 1.07 1.41 -0.07 3.86 0.00 -0.90 -2.12 119.26 122.50 3d90 h ALA 855 Ca 0.17 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 3d90 h ALA 855 Cb 0.53 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3d90 h ALA 855 CO 0.03 0.48 -0.81 0.82 0.00 0.00 0.00 179.25 179.77 3d90 h ILE 856 N 0.86 1.36 0.00 0.00 2.04 -0.92 -3.14 117.51 117.71 3d90 h ILE 856 Ca 0.22 -2.18 0.00 0.00 1.00 0.00 0.00 64.86 63.90 3d90 h ILE 856 Cb 0.05 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3d90 h ILE 856 CO -0.03 0.66 0.00 0.61 0.00 0.00 0.00 178.15 179.39 3d90 n GLY 857 N 0.71 -0.88 0.00 5.37 0.00 -0.17 -1.27 105.19 108.95 3d90 n GLY 857 Ca -0.06 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.17 3d90 n GLY 857 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d90 n LEU 858 N -2.01 0.00 0.00 0.99 4.77 -1.13 -4.69 117.00 114.94 3d90 n LEU 858 Ca 0.00 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 3d90 n LEU 858 Cb 0.08 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 3d90 n LEU 858 CO 0.10 -0.13 0.00 0.54 -1.33 0.00 0.00 177.39 176.57 3d90 n ARG 859 N -1.48 0.00 -2.34 3.23 1.74 -0.40 -5.16 116.66 112.25 3d90 n ARG 859 Ca 0.06 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.71 3d90 n ARG 859 Cb 0.24 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.66 3d90 n ARG 859 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3d90 s GLN 860 N 0.00 4.11 -0.06 5.56 1.11 -0.65 -4.98 119.66 124.74 3d90 s GLN 860 Ca 0.00 1.63 -0.05 0.00 0.01 0.00 0.00 55.36 56.95 3d90 s GLN 860 Cb 0.00 -3.85 -0.28 0.00 -1.01 0.00 0.00 33.01 27.88 3d90 s GLN 860 CO 0.00 -0.88 0.60 0.78 0.01 0.00 0.00 175.29 175.80 3d90 h GLY 862 N 10.26 0.32 0.00 3.09 0.00 -1.94 -3.36 103.07 111.43 3d90 h GLY 862 Ca -0.29 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.23 3d90 h GLY 862 CO 0.99 0.71 0.00 3.33 0.00 0.00 0.00 176.54 181.57 3d90 n VAL 863 N -3.46 0.00 -0.10 4.60 0.24 -1.26 -4.84 118.33 113.50 3d90 n VAL 863 Ca -0.25 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 61.90 3d90 n VAL 863 Cb 1.06 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 33.34 3d90 n VAL 863 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 3d90 n VAL 864 N -1.03 1.14 0.29 3.34 3.14 -1.26 -3.92 118.33 120.02 3d90 n VAL 864 Ca 0.00 -0.41 0.15 0.00 -2.96 0.00 0.00 64.34 61.12 3d90 n VAL 864 Cb 0.00 -1.31 0.69 0.00 -1.06 0.00 0.00 33.84 32.15 3d90 n VAL 864 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 3d90 h SER 865 N -0.15 0.00 0.00 6.55 4.64 -1.92 -2.21 113.55 120.46 3d90 h SER 865 Ca -0.46 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.70 3d90 h SER 865 Cb 1.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.71 3d90 h SER 865 CO -0.12 0.00 -0.88 0.77 -0.87 0.00 0.00 176.83 175.73 3d90 h SER 866 N 0.00 0.00 0.17 4.97 4.64 -1.77 -3.08 113.55 118.48 3d90 h SER 866 Ca 0.00 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 3d90 h SER 866 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3d90 h SER 866 CO 0.00 1.33 0.00 -0.24 -0.87 0.00 0.00 176.83 177.05 3d90 n SER 867 N -4.49 0.12 -0.01 4.97 2.88 -1.06 -1.65 113.62 114.39 3d90 n SER 867 Ca -0.25 0.55 -0.21 0.00 -1.33 0.00 0.00 58.87 57.62 3d90 n SER 867 Cb 0.61 -0.56 -0.14 0.00 -0.75 0.00 0.00 64.21 63.37 3d90 n SER 867 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d90 n GLN 868 N -1.65 0.75 0.15 -1.46 3.00 -0.86 -4.13 117.38 113.18 3d90 n GLN 868 Ca 0.01 0.25 0.13 0.00 -0.01 0.00 0.00 57.00 57.38 3d90 n GLN 868 Cb 0.06 -1.69 0.45 0.00 0.00 0.00 0.00 30.24 29.06 3d90 n GLN 868 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 3d90 h ARG 869 N 0.07 0.00 0.00 -1.09 2.43 -1.21 -2.72 114.38 111.86 3d90 h ARG 869 Ca -0.44 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.68 3d90 h ARG 869 Cb 2.02 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.57 3d90 h ARG 869 CO 0.07 0.00 -0.23 0.35 -1.51 0.00 0.00 179.97 178.66 3d90 h PHE 870 N 0.00 0.00 0.00 2.20 3.57 -1.55 -2.57 116.94 118.59 3d90 h PHE 870 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3d90 h PHE 870 Cb 0.59 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 3d90 h PHE 870 CO 0.00 0.23 -0.03 -0.92 -2.23 0.00 0.00 178.31 175.35 3d90 h TYR 871 N 0.00 0.00 -0.39 0.41 3.20 -1.67 -3.23 116.97 115.29 3d90 h TYR 871 Ca -0.00 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 3d90 h TYR 871 Cb 0.74 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.95 3d90 h TYR 871 CO 0.00 0.19 0.01 -0.56 -1.64 0.00 0.00 178.16 176.16 3d90 h GLN 872 N -1.00 0.11 -0.52 1.82 3.07 -1.60 0.10 115.11 117.09 3d90 h GLN 872 Ca -0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 3d90 h GLN 872 Cb 0.21 -0.03 -0.03 0.00 0.08 0.00 0.00 27.48 27.72 3d90 h GLN 872 CO -0.00 0.07 0.31 -0.07 0.09 0.00 0.00 178.83 179.23 3d90 h LEU 873 N 0.12 0.63 -0.18 0.06 3.38 -1.65 -0.50 115.31 117.17 3d90 h LEU 873 Ca 0.19 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3d90 h LEU 873 Cb 0.27 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3d90 h LEU 873 CO -0.31 0.51 0.00 0.35 0.09 0.00 0.00 178.44 179.08 3d90 n THR 874 N -4.67 0.60 0.05 0.22 -2.24 -1.02 -2.04 114.28 105.19 3d90 n THR 874 Ca 0.03 0.04 -0.11 0.00 -2.27 0.00 0.00 64.05 61.74 3d90 n THR 874 Cb 0.06 -0.81 -0.13 0.00 -2.10 0.00 0.00 70.33 67.35 3d90 n THR 874 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3d90 h LYS 875 N 0.00 0.10 -0.16 -0.78 1.63 0.25 -2.65 116.57 114.97 3d90 h LYS 875 Ca 0.00 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.62 3d90 h LYS 875 Cb 0.47 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 3d90 h LYS 875 CO 0.00 0.98 0.04 1.25 -3.45 0.00 0.00 179.45 178.27 3d90 h LEU 876 N 0.03 0.23 -1.16 5.20 6.46 -0.53 -0.28 115.31 125.27 3d90 h LEU 876 Ca -0.13 -0.22 -0.00 0.00 -0.12 0.00 0.00 57.88 57.42 3d90 h LEU 876 Cb 1.90 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 41.73 3d90 h LEU 876 CO 0.14 0.39 0.49 -0.07 -0.62 0.00 0.00 178.44 178.77 3d90 h LEU 877 N 0.06 0.94 -0.50 2.25 3.38 -1.55 -1.55 115.31 118.33 3d90 h LEU 877 Ca 0.05 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3d90 h LEU 877 Cb 0.24 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3d90 h LEU 877 CO -0.00 0.71 0.16 0.44 0.09 0.00 0.00 178.44 179.84 3d90 h ASP 878 N 1.09 0.73 0.51 -0.43 3.45 -1.07 -2.91 116.42 117.79 3d90 h ASP 878 Ca 0.29 -0.21 -0.07 0.00 0.43 0.00 0.00 57.03 57.47 3d90 h ASP 878 Cb -0.07 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.50 3d90 h ASP 878 CO -0.06 0.75 -0.35 0.78 -1.57 0.00 0.00 179.24 178.79 3d90 h ASN 879 N 0.68 0.00 -0.28 6.45 2.35 -0.45 -3.01 115.58 121.32 3d90 h ASN 879 Ca 0.16 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.99 3d90 h ASN 879 Cb 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3d90 h ASN 879 CO -0.01 0.35 0.20 -0.07 -1.65 0.00 0.00 177.43 176.26 3d90 h LEU 880 N 0.00 0.02 -0.53 1.61 3.38 -1.09 -2.34 115.31 116.35 3d90 h LEU 880 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3d90 h LEU 880 Cb 0.70 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 3d90 h LEU 880 CO 0.05 0.01 0.18 0.45 0.09 0.00 0.00 178.44 179.22 3d90 h HIS 881 N 0.02 0.31 -0.13 1.13 3.86 -1.62 0.25 115.15 118.97 3d90 h HIS 881 Ca 0.13 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.18 3d90 h HIS 881 Cb 0.51 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.92 3d90 h HIS 881 CO -0.00 0.08 -0.69 -0.44 0.86 0.00 0.00 177.93 177.74 3d90 h ASP 882 N 0.35 0.63 -0.55 2.45 5.19 -1.64 -2.22 116.42 120.63 3d90 h ASP 882 Ca 0.26 -0.39 -0.10 0.00 -0.62 0.00 0.00 57.03 56.18 3d90 h ASP 882 Cb 0.31 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 3d90 h ASP 882 CO -0.28 1.14 -0.03 0.25 -3.12 0.00 0.00 179.24 177.20 3d90 h LEU 883 N 0.38 1.00 -0.81 1.55 6.46 -1.33 -2.69 115.31 119.87 3d90 h LEU 883 Ca -0.02 -0.29 -0.11 0.00 -0.12 0.00 0.00 57.88 57.33 3d90 h LEU 883 Cb 1.27 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.92 3d90 h LEU 883 CO 0.13 1.07 -0.29 0.58 -0.62 0.00 0.00 178.44 179.30 3d90 h VAL 884 N 0.93 1.28 -0.03 1.05 2.07 -0.93 -2.48 116.25 118.13 3d90 h VAL 884 Ca 0.16 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 3d90 h VAL 884 Cb 0.58 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3d90 h VAL 884 CO 0.03 0.44 -0.11 0.50 0.02 0.00 0.00 177.57 178.45 3d90 h LYS 885 N 0.48 0.05 -0.34 1.57 3.64 -1.08 0.15 116.57 121.03 3d90 h LYS 885 Ca 0.06 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 3d90 h LYS 885 Cb 0.75 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 3d90 h LYS 885 CO 0.06 0.16 -0.11 0.37 -2.27 0.00 0.00 179.45 177.67 3d90 h GLN 886 N 0.05 0.67 -0.23 1.90 4.15 -1.17 -2.83 115.11 117.65 3d90 h GLN 886 Ca 0.01 -0.27 -0.11 0.00 0.77 0.00 0.00 58.65 59.05 3d90 h GLN 886 Cb 0.23 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 3d90 h GLN 886 CO 0.02 0.85 -0.32 -0.07 -1.93 0.00 0.00 178.83 177.38 3d90 h LEU 887 N 0.46 0.49 0.32 -2.39 3.38 -1.09 -3.10 115.31 113.37 3d90 h LEU 887 Ca 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3d90 h LEU 887 Cb 0.62 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3d90 h LEU 887 CO 0.04 0.79 -0.15 0.45 0.09 0.00 0.00 178.44 179.65 3d90 h HIS 888 N 0.41 -0.40 -0.73 1.13 3.86 -0.65 0.30 115.15 119.07 3d90 h HIS 888 Ca 0.05 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.34 3d90 h HIS 888 Cb 0.76 0.13 -0.07 0.00 1.06 0.00 0.00 27.41 29.30 3d90 h HIS 888 CO 0.03 -0.21 0.38 1.25 0.86 0.00 0.00 177.93 180.24 3d90 h LEU 889 N -0.49 0.52 -0.50 2.43 5.85 -1.52 0.24 115.31 121.84 3d90 h LEU 889 Ca -0.04 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 3d90 h LEU 889 Cb 0.37 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3d90 h LEU 889 CO 0.07 0.30 0.02 0.22 -0.34 0.00 0.00 178.44 178.72 3d90 h TYR 890 N 0.66 0.94 -0.05 1.25 5.03 -1.45 -0.78 116.97 122.57 3d90 h TYR 890 Ca 0.36 -0.15 0.02 0.00 2.58 0.00 0.00 58.73 61.53 3d90 h TYR 890 Cb 0.35 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.36 3d90 h TYR 890 CO -0.09 0.88 -0.05 0.00 -1.32 0.00 0.00 178.16 177.57 3d90 h LEU 892 N -0.07 0.93 -0.78 0.00 5.85 -0.47 0.24 115.31 121.01 3d90 h LEU 892 Ca 0.04 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 3d90 h LEU 892 Cb 0.12 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3d90 h LEU 892 CO -0.09 0.92 -0.10 0.78 -0.34 0.00 0.00 178.44 179.62 3d90 h ASN 893 N 0.90 0.81 0.16 1.25 2.35 -1.00 0.11 115.58 120.15 3d90 h ASN 893 Ca 0.19 -0.24 -0.13 0.00 -0.55 0.00 0.00 56.30 55.57 3d90 h ASN 893 Cb 0.35 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3d90 h ASN 893 CO 0.00 0.93 -0.47 0.74 -1.65 0.00 0.00 177.43 176.99 3d90 h THR 894 N 0.75 1.33 -0.50 2.81 2.02 -0.78 -1.81 112.91 116.73 3d90 h THR 894 Ca 0.13 -1.67 -0.13 0.00 0.77 0.00 0.00 66.41 65.51 3d90 h THR 894 Cb 0.59 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 3d90 h THR 894 CO 0.04 0.51 -0.18 0.15 0.37 0.00 0.00 175.52 176.40 3d90 h PHE 895 N 0.30 1.13 0.00 3.16 3.57 0.07 -2.26 116.94 122.92 3d90 h PHE 895 Ca 0.02 -0.26 -0.10 0.00 3.53 0.00 0.00 57.97 61.16 3d90 h PHE 895 Cb 0.94 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 3d90 h PHE 895 CO 0.03 1.08 -0.46 0.82 -2.23 0.00 0.00 178.31 177.55 3d90 h ILE 896 N 0.87 1.13 -0.45 1.41 1.08 -0.59 -3.21 117.51 117.75 3d90 h ILE 896 Ca 0.12 -1.71 0.00 0.00 -0.39 0.00 0.00 64.86 62.88 3d90 h ILE 896 Cb 0.76 1.98 0.00 0.00 -3.07 0.00 0.00 36.82 36.48 3d90 h ILE 896 CO 0.06 0.45 0.00 0.00 -0.69 0.00 0.00 178.15 177.98 3d90 n GLN 897 N -3.69 3.65 -0.22 2.37 6.02 -0.70 -4.77 117.38 120.03 3d90 n GLN 897 Ca -0.01 -2.85 -0.06 0.00 -0.01 0.00 0.00 57.00 54.07 3d90 n GLN 897 Cb 0.53 -1.91 -0.01 0.00 1.02 0.00 0.00 30.24 29.88 3d90 n GLN 897 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3d90 h SER 898 N 2.96 -1.35 0.31 1.08 0.02 -1.41 -0.08 113.55 115.08 3d90 h SER 898 Ca 0.00 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3d90 h SER 898 Cb 1.51 0.64 -0.03 0.00 0.14 0.00 0.00 62.40 64.67 3d90 h SER 898 CO 0.27 -0.32 -0.38 0.03 -1.14 0.00 0.00 176.83 175.30 3d90 h ARG 899 N -0.18 -0.71 -0.53 3.45 3.08 -1.86 1.04 114.38 118.69 3d90 h ARG 899 Ca 0.22 0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.32 3d90 h ARG 899 Cb 0.56 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 3d90 h ARG 899 CO -0.71 -0.47 0.35 0.00 -1.07 0.00 0.00 179.97 178.06 3d90 h ALA 900 N -0.28 0.67 0.00 0.04 0.00 -1.90 -1.67 119.26 116.12 3d90 h ALA 900 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3d90 h ALA 900 Cb 0.68 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3d90 h ALA 900 CO -0.11 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.52 3d90 n LEU 901 N -4.73 0.57 -3.49 0.00 4.77 -0.06 -4.92 117.00 109.15 3d90 n LEU 901 Ca 0.03 0.60 -0.18 0.00 -0.03 0.00 0.00 56.01 56.42 3d90 n LEU 901 Cb 0.03 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 40.72 3d90 n LEU 901 CO 0.35 -0.33 0.05 -1.20 -1.33 0.00 0.00 177.39 174.93 3d90 n SER 902 N -2.08 -2.48 -4.30 -1.43 7.64 0.34 -4.67 113.62 106.64 3d90 n SER 902 Ca 0.04 -0.70 -0.33 0.00 1.01 0.00 0.00 58.87 58.89 3d90 n SER 902 Cb 0.31 -4.81 -0.15 0.00 -1.01 0.00 0.00 64.21 58.55 3d90 n SER 902 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3d90 s VAL 903 N -3.45 2.79 -0.10 0.44 1.01 -0.19 -4.82 120.40 116.08 3d90 s VAL 903 Ca 0.07 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 3d90 s VAL 903 Cb -0.01 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3d90 s VAL 903 CO 0.76 0.52 0.54 -0.70 0.00 0.00 0.00 175.10 176.21 3d90 s GLU 904 N 0.64 4.36 -0.23 2.72 2.12 -1.26 -4.66 118.70 122.39 3d90 s GLU 904 Ca -0.08 0.57 -0.02 0.00 0.36 0.00 0.00 54.97 55.81 3d90 s GLU 904 Cb -0.16 -3.44 0.02 0.00 0.26 0.00 0.00 34.13 30.82 3d90 s GLU 904 CO 0.03 0.14 -0.08 -0.06 -0.54 0.00 0.00 175.26 174.75 3d90 s PHE 905 N 0.64 3.00 1.19 5.30 0.40 -1.26 -4.64 117.98 122.60 3d90 s PHE 905 Ca 0.29 -1.44 -0.15 0.00 -0.60 0.00 0.00 56.93 55.04 3d90 s PHE 905 Cb -0.16 -2.05 0.28 0.00 0.51 0.00 0.00 43.02 41.61 3d90 s PHE 905 CO 0.13 -0.70 1.03 -2.14 0.70 0.00 0.00 175.22 174.23 3d90 s PRO 906 N 1.35 -1.09 0.02 0.24 0.02 -1.26 -4.72 135.00 129.56 3d90 s PRO 906 Ca 0.02 0.53 -0.06 0.00 0.02 0.00 0.00 61.00 61.51 3d90 s PRO 906 Cb -0.16 -1.56 -0.02 0.00 0.02 0.00 0.00 34.50 32.78 3d90 s PRO 906 CO -0.06 -3.75 1.10 1.49 -0.33 0.00 0.00 177.00 175.45 3d90 h GLU 907 N -2.63 -0.09 -0.60 5.54 4.81 -1.99 -1.59 114.58 118.02 3d90 h GLU 907 Ca -0.56 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.61 3d90 h GLU 907 Cb 1.33 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 3d90 h GLU 907 CO 0.47 -0.06 0.13 0.52 -0.73 0.00 0.00 179.01 179.34 3d90 h MET 908 N -0.10 0.95 -0.94 1.92 2.86 -1.94 -2.24 114.93 115.44 3d90 h MET 908 Ca 0.01 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 3d90 h MET 908 Cb 0.12 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.60 3d90 h MET 908 CO -0.09 0.86 0.59 0.52 1.06 0.00 0.00 176.91 179.85 3d90 h MET 909 N 0.91 1.26 -0.53 1.72 2.86 -1.91 -1.47 114.93 117.76 3d90 h MET 909 Ca 0.19 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 3d90 h MET 909 Cb 0.35 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3d90 h MET 909 CO 0.00 0.86 -0.01 0.77 1.06 0.00 0.00 176.91 179.59 3d90 h SER 910 N 1.29 0.87 -0.20 1.22 0.02 -0.91 -2.76 113.55 113.08 3d90 h SER 910 Ca 0.34 -0.23 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 3d90 h SER 910 Cb -0.10 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.19 3d90 h SER 910 CO -0.07 0.94 -0.28 -0.33 -1.14 0.00 0.00 176.83 175.96 3d90 h GLU 911 N 0.83 0.68 -0.02 3.45 5.08 -0.76 -1.69 114.58 122.15 3d90 h GLU 911 Ca 0.15 -0.29 -0.17 0.00 -1.00 0.00 0.00 59.36 58.05 3d90 h GLU 911 Cb 0.51 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3d90 h GLU 911 CO 0.03 0.88 -0.77 -0.39 -1.00 0.00 0.00 179.01 177.75 3d90 h VAL 912 N 0.59 1.48 0.14 3.13 -1.51 -1.22 -1.61 116.25 117.24 3d90 h VAL 912 Ca 0.07 -2.43 -0.01 0.00 -1.23 0.00 0.00 66.70 63.10 3d90 h VAL 912 Cb 0.77 2.32 0.00 0.00 -2.13 0.00 0.00 31.29 32.25 3d90 h VAL 912 CO 0.06 0.71 -0.07 0.40 -1.23 0.00 0.00 177.57 177.44 3d90 h ILE 913 N 0.10 0.99 -0.51 7.19 2.04 -1.46 -2.94 117.51 122.93 3d90 h ILE 913 Ca -0.02 -1.13 0.07 0.00 1.00 0.00 0.00 64.86 64.78 3d90 h ILE 913 Cb 1.35 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 39.03 3d90 h ILE 913 CO 0.11 0.24 0.34 0.00 0.00 0.00 0.00 178.15 178.85 3d90 h ALA 914 N -0.10 1.96 0.02 1.87 0.00 -1.35 -1.44 119.26 120.22 3d90 h ALA 914 Ca -0.02 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 3d90 h ALA 914 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3d90 h ALA 914 CO 0.03 -0.05 -0.96 0.00 0.00 0.00 0.00 179.25 178.27 3d90 h ALA 915 N 1.73 0.43 0.00 0.00 0.00 -1.30 -3.43 119.26 116.69 3d90 h ALA 915 Ca 0.23 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3d90 h ALA 915 Cb 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3d90 h ALA 915 CO -0.06 1.09 0.00 1.04 0.00 0.00 0.00 179.25 181.32 3d90 n GLN 916 N -3.49 3.09 0.02 0.00 1.13 -1.11 -4.90 117.38 112.12 3d90 n GLN 916 Ca -0.02 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.94 3d90 n GLN 916 Cb 0.88 -0.26 -0.04 0.00 0.11 0.00 0.00 30.24 30.94 3d90 n GLN 916 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3d90 h LEU 917 N 0.00 -0.55 -0.15 1.08 -0.00 -1.40 0.51 115.31 114.80 3d90 h LEU 917 Ca 0.00 0.09 0.04 0.00 -0.00 0.00 0.00 57.88 58.01 3d90 h LEU 917 Cb 0.00 0.24 -0.05 0.00 -0.00 0.00 0.00 40.66 40.86 3d90 h LEU 917 CO 0.00 -0.24 -0.14 -0.65 -0.00 0.00 0.00 178.44 177.41 3d90 h PRO 918 N -0.25 -0.16 -0.65 1.13 0.11 -1.88 -1.29 132.00 129.01 3d90 h PRO 918 Ca 0.08 0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.29 3d90 h PRO 918 Cb 0.37 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 31.44 3d90 h PRO 918 CO -0.23 -0.11 0.29 -0.22 -0.21 0.00 0.00 178.00 177.52 3d90 h LYS 919 N -0.16 0.48 0.29 1.05 3.64 -1.78 -0.62 116.57 119.46 3d90 h LYS 919 Ca 0.10 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3d90 h LYS 919 Cb 0.31 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3d90 h LYS 919 CO -0.24 0.32 -0.14 0.82 -2.27 0.00 0.00 179.45 177.94 3d90 h ILE 920 N 0.50 0.72 -0.59 2.00 2.04 0.69 -1.91 117.51 120.96 3d90 h ILE 920 Ca 0.32 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 66.12 3d90 h ILE 920 Cb 0.37 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3d90 h ILE 920 CO -0.28 0.01 0.35 -0.07 0.00 0.00 0.00 178.15 178.16 3d90 h LEU 921 N -0.42 0.71 -2.52 1.44 3.38 -1.04 -0.15 115.31 116.71 3d90 h LEU 921 Ca -0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3d90 h LEU 921 Cb 0.32 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3d90 h LEU 921 CO 0.07 0.55 -0.01 0.00 0.09 0.00 0.00 178.44 179.13 3d90 h ALA 922 N 1.57 1.07 0.00 1.53 0.00 -0.85 -3.45 119.26 119.13 3d90 h ALA 922 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3d90 h ALA 922 Cb -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3d90 h ALA 922 CO -0.04 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.63 3d90 n GLY 923 N -0.82 0.64 2.19 0.00 0.00 -0.07 -4.97 105.19 102.16 3d90 n GLY 923 Ca -0.02 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 3d90 n GLY 923 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3d90 n MET 924 N -2.45 2.13 -4.00 1.61 2.81 -0.76 -4.86 117.12 111.59 3d90 n MET 924 Ca 0.00 -2.04 -0.09 0.00 -1.81 0.00 0.00 57.70 53.75 3d90 n MET 924 Cb 0.04 -1.89 -0.06 0.00 -0.71 0.00 0.00 33.22 30.60 3d90 n MET 924 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3d90 s VAL 925 N -2.50 0.01 -0.39 2.03 -7.23 -1.26 -4.54 120.40 106.51 3d90 s VAL 925 Ca 0.45 -1.43 -0.02 0.00 -1.81 0.00 0.00 61.98 59.17 3d90 s VAL 925 Cb 0.32 -2.16 0.10 0.00 0.56 0.00 0.00 36.38 35.21 3d90 s VAL 925 CO -0.10 -0.04 0.16 -0.75 -0.31 0.00 0.00 175.10 174.06 3d90 s LYS 926 N -4.02 1.97 0.62 4.82 2.20 0.45 -4.79 119.74 120.98 3d90 s LYS 926 Ca 0.23 -1.77 -0.16 0.00 -0.36 0.00 0.00 55.97 53.90 3d90 s LYS 926 Cb 0.01 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 3d90 s LYS 926 CO 0.08 -1.01 1.10 -2.14 -0.36 0.00 0.00 175.35 173.02 3d90 s PRO 927 N 1.12 3.04 -0.21 4.03 0.02 -1.26 -1.98 135.00 139.76 3d90 s PRO 927 Ca 0.07 1.40 -0.03 0.00 0.02 0.00 0.00 61.00 62.46 3d90 s PRO 927 Cb -0.22 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.31 3d90 s PRO 927 CO -0.04 -1.06 -0.06 -0.51 -0.33 0.00 0.00 177.00 174.99 3d90 s LEU 928 N -4.55 2.84 -0.00 -5.54 1.43 0.36 -4.92 118.68 108.30 3d90 s LEU 928 Ca 0.67 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 3d90 s LEU 928 Cb -0.20 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 3d90 s LEU 928 CO 0.37 0.01 -0.20 -0.76 0.23 0.00 0.00 176.35 176.00 3d90 s LEU 929 N 1.32 2.47 0.00 1.79 1.43 -1.26 -4.89 118.68 119.54 3d90 s LEU 929 Ca 0.04 -0.38 0.29 0.00 -1.03 0.00 0.00 54.13 53.05 3d90 s LEU 929 Cb -0.14 -1.47 1.25 0.00 0.03 0.00 0.00 46.19 45.86 3d90 s LEU 929 CO -0.03 0.30 1.87 0.49 0.23 0.00 0.00 176.35 179.21 3d90 n PHE 930 N 2.01 0.00 -3.40 0.29 3.01 -1.26 -4.33 117.46 113.78 3d90 n PHE 930 Ca -0.16 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.02 3d90 n PHE 930 Cb 0.52 -0.16 -0.10 0.00 -0.01 0.00 0.00 39.48 39.72 3d90 n PHE 930 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 3d90 s HIS 931 N -2.43 0.98 -2.00 1.38 3.76 -1.26 -5.09 115.29 110.64 3d90 s HIS 931 Ca 0.30 -2.17 0.04 0.00 -0.15 0.00 0.00 55.06 53.08 3d90 s HIS 931 Cb 0.20 -0.90 0.21 0.00 1.11 0.00 0.00 32.58 33.21 3d90 s HIS 931 CO 0.46 -0.83 0.69 0.36 -0.85 0.00 0.00 174.74 174.57