#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwq h PRO -3 N 0.00 0.00 -0.00 1.61 0.13 -2.12 -3.24 132.00 128.39 2kwq h PRO -3 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kwq h PRO -3 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kwq h PRO -3 CO 0.00 0.00 -0.00 -1.33 -0.23 0.00 0.00 178.00 176.44 2kwq n MET -2 N -2.64 0.99 -1.43 0.86 2.81 -1.26 -4.90 117.12 111.55 2kwq n MET -2 Ca 0.03 -0.09 -0.31 0.00 -1.81 0.00 0.00 57.70 55.52 2kwq n MET -2 Cb 0.35 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.44 2kwq n MET -2 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2kwq s GLY -1 N -2.07 1.66 0.32 3.03 0.00 -1.23 -5.02 107.32 104.01 2kwq s GLY -1 Ca 0.45 0.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.97 2kwq s GLY -1 CO 0.38 0.45 1.33 1.06 0.00 0.00 0.00 173.10 176.32 2kwq s MET 755 N -5.00 4.33 -0.06 2.90 -1.94 -1.26 -4.96 119.30 113.31 2kwq s MET 755 Ca 0.60 2.24 0.10 0.00 -1.71 0.00 0.00 55.69 56.92 2kwq s MET 755 Cb -0.15 -3.07 0.23 0.00 2.01 0.00 0.00 34.83 33.84 2kwq s MET 755 CO 0.55 -0.24 1.17 1.04 -0.01 0.00 0.00 175.02 177.53 2kwq n GLN 756 N 1.02 2.58 -3.85 2.03 6.02 -1.26 -5.06 117.38 118.86 2kwq n GLN 756 Ca 0.01 -2.09 -0.10 0.00 -0.01 0.00 0.00 57.00 54.81 2kwq n GLN 756 Cb 0.41 -1.31 0.01 0.00 1.02 0.00 0.00 30.24 30.38 2kwq n GLN 756 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kwq s SER 757 N -1.56 0.17 0.32 1.08 0.15 -1.26 -5.17 113.70 107.43 2kwq s SER 757 Ca 0.20 -1.22 -0.26 0.00 0.70 0.00 0.00 55.95 55.37 2kwq s SER 757 Cb 0.15 0.83 -0.10 0.00 -1.71 0.00 0.00 66.02 65.19 2kwq s SER 757 CO 0.06 -1.64 0.97 -0.63 1.20 0.00 0.00 173.24 173.20 2kwq s ILE 758 N -2.39 4.09 0.00 6.45 1.09 -1.26 -4.95 121.20 124.23 2kwq s ILE 758 Ca 0.18 1.77 -0.03 0.00 -1.10 0.00 0.00 60.65 61.46 2kwq s ILE 758 Cb -0.04 -4.00 -0.15 0.00 -1.06 0.00 0.00 42.46 37.21 2kwq s ILE 758 CO 0.13 0.17 2.65 -2.11 -0.10 0.00 0.00 174.94 175.68 2kwq n ARG 759 N 0.61 1.40 -3.45 2.79 1.85 -1.26 -4.75 116.66 113.86 2kwq n ARG 759 Ca 0.02 -0.57 -0.13 0.00 -1.00 0.00 0.00 57.85 56.16 2kwq n ARG 759 Cb 0.49 -1.66 -0.03 0.00 -1.05 0.00 0.00 32.46 30.22 2kwq n ARG 759 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2kwq s GLU 760 N 1.04 1.21 -0.12 2.89 -1.05 -1.26 -4.24 118.70 117.16 2kwq s GLU 760 Ca 0.38 -0.31 -0.11 0.00 -0.15 0.00 0.00 54.97 54.79 2kwq s GLU 760 Cb 0.18 0.56 0.03 0.00 -0.44 0.00 0.00 34.13 34.46 2kwq s GLU 760 CO 0.00 -0.50 0.31 1.14 0.95 0.00 0.00 175.26 177.16 2kwq s GLN 761 N -3.17 0.37 0.49 -4.83 -2.07 -1.20 -4.98 119.66 104.26 2kwq s GLN 761 Ca -0.01 0.43 -0.20 0.00 -1.82 0.00 0.00 55.36 53.75 2kwq s GLN 761 Cb -0.01 0.18 -0.08 0.00 -1.09 0.00 0.00 33.01 32.01 2kwq s GLN 761 CO -0.08 -0.04 1.05 -1.12 -1.32 0.00 0.00 175.29 173.78 2kwq s SER 762 N 0.15 6.29 0.22 12.60 0.01 -1.26 -1.86 113.70 129.86 2kwq s SER 762 Ca -0.00 1.97 -0.21 0.00 1.31 0.00 0.00 55.95 59.01 2kwq s SER 762 Cb -0.02 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.68 2kwq s SER 762 CO 0.00 -0.82 0.65 0.00 0.41 0.00 0.00 173.24 173.49 2kwq s ARG 764 N -3.85 4.60 0.10 0.00 3.52 -1.26 -1.02 118.95 121.04 2kwq s ARG 764 Ca 0.07 1.58 -0.03 0.00 -0.13 0.00 0.00 55.73 57.22 2kwq s ARG 764 Cb -0.04 -3.02 -0.03 0.00 -1.56 0.00 0.00 34.95 30.30 2kwq s ARG 764 CO -0.02 0.24 0.07 0.14 -0.81 0.00 0.00 175.30 174.92 2kwq s VAL 765 N -1.34 0.14 -0.02 7.11 -7.23 0.73 -4.78 120.40 115.01 2kwq s VAL 765 Ca 0.47 -1.70 0.06 0.00 -1.81 0.00 0.00 61.98 58.99 2kwq s VAL 765 Cb -0.26 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 2kwq s VAL 765 CO 0.33 -0.66 -0.19 0.54 -0.31 0.00 0.00 175.10 174.81 2kwq s VAL 766 N -3.97 1.50 -0.30 1.32 0.11 0.58 -1.10 120.40 118.55 2kwq s VAL 766 Ca 0.14 -0.80 -0.08 0.00 -2.93 0.00 0.00 61.98 58.31 2kwq s VAL 766 Cb 0.07 -1.25 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 2kwq s VAL 766 CO -0.04 0.42 0.10 -0.89 -3.33 0.00 0.00 175.10 171.36 2kwq s THR 767 N -0.38 4.15 -0.20 5.04 2.01 -0.06 -1.03 115.64 125.17 2kwq s THR 767 Ca 0.06 -0.59 -0.29 0.00 0.31 0.00 0.00 61.69 61.18 2kwq s THR 767 Cb -0.08 -3.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.30 2kwq s THR 767 CO -0.00 0.10 1.32 0.00 -0.69 0.00 0.00 174.62 175.35 2kwq h LYS 769 N 8.76 0.00 -0.04 0.00 1.79 -1.13 -1.27 116.57 124.69 2kwq h LYS 769 Ca -0.28 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 57.99 2kwq h LYS 769 Cb 1.11 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.77 2kwq h LYS 769 CO 0.99 0.30 -0.76 1.15 -1.08 0.00 0.00 179.45 180.05 2kwq h THR 770 N 0.00 1.35 0.00 -0.16 2.02 -1.92 -3.35 112.91 110.85 2kwq h THR 770 Ca -0.00 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.09 2kwq h THR 770 Cb 1.20 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.99 2kwq h THR 770 CO 0.04 0.63 -1.54 0.00 0.37 0.00 0.00 175.52 175.02 2kwq n LYS 772 N -2.07 -2.16 -3.87 0.00 4.01 -0.49 -5.08 118.16 108.50 2kwq n LYS 772 Ca -0.01 0.56 -0.09 0.00 -0.51 0.00 0.00 58.31 58.26 2kwq n LYS 772 Cb 0.49 -4.40 -0.08 0.00 -0.51 0.00 0.00 35.03 30.53 2kwq n LYS 772 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 2kwq s TYR 773 N -3.25 0.15 -0.12 2.13 -0.85 -1.14 -5.03 117.35 109.25 2kwq s TYR 773 Ca 0.22 -0.53 0.00 0.00 -0.52 0.00 0.00 57.07 56.25 2kwq s TYR 773 Cb -0.03 -0.07 -0.02 0.00 0.38 0.00 0.00 41.96 42.22 2kwq s TYR 773 CO 0.48 -0.50 -0.12 0.99 -1.52 0.00 0.00 175.55 174.88 2kwq s THR 774 N -3.46 3.15 0.35 -3.49 2.01 -1.26 -1.47 115.64 111.47 2kwq s THR 774 Ca 0.02 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.27 2kwq s THR 774 Cb 0.03 -2.31 0.03 0.00 0.01 0.00 0.00 72.50 70.26 2kwq s THR 774 CO -0.09 0.53 0.65 -1.00 -0.69 0.00 0.00 174.62 174.02 2kwq s HIS 775 N 0.15 0.48 0.29 4.92 3.76 -0.20 -4.85 115.29 119.83 2kwq s HIS 775 Ca -0.06 -0.95 0.03 0.00 -0.15 0.00 0.00 55.06 53.92 2kwq s HIS 775 Cb -0.15 0.44 0.43 0.00 1.11 0.00 0.00 32.58 34.41 2kwq s HIS 775 CO 0.05 -1.35 1.74 0.74 -0.85 0.00 0.00 174.74 175.06 2kwq h PHE 776 N 2.06 0.53 -2.58 1.40 0.04 -1.86 0.17 116.94 116.70 2kwq h PHE 776 Ca -0.29 -0.11 -0.04 0.00 2.80 0.00 0.00 57.97 60.33 2kwq h PHE 776 Cb 1.25 -0.13 -0.15 0.00 2.20 0.00 0.00 35.95 39.11 2kwq h PHE 776 CO 1.30 0.68 0.19 -1.59 -0.60 0.00 0.00 178.31 178.28 2kwq s LYS 777 N -4.54 1.17 0.60 1.51 -2.85 -1.26 -4.28 119.74 110.10 2kwq s LYS 777 Ca -0.07 -0.16 -0.13 0.00 -1.00 0.00 0.00 55.97 54.61 2kwq s LYS 777 Cb 0.14 0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 36.42 2kwq s LYS 777 CO 0.79 -0.45 1.03 -1.25 0.10 0.00 0.00 175.35 175.57 2kwq s PRO 778 N -2.61 3.47 0.70 1.78 0.04 -1.26 -4.97 135.00 132.15 2kwq s PRO 778 Ca -0.04 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 61.84 2kwq s PRO 778 Cb -0.01 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.49 2kwq s PRO 778 CO -0.03 -0.67 1.07 0.15 0.04 0.00 0.00 177.00 177.56 2kwq s LYS 779 N -4.60 2.81 0.36 4.56 1.02 -1.26 -4.89 119.74 117.74 2kwq s LYS 779 Ca 0.59 1.07 0.03 0.00 0.02 0.00 0.00 55.97 57.68 2kwq s LYS 779 Cb -0.13 -1.97 0.67 0.00 -0.52 0.00 0.00 37.83 35.88 2kwq s LYS 779 CO 0.44 -1.20 1.99 0.93 -0.92 0.00 0.00 175.35 176.59 2kwq h GLU 780 N -0.61 0.72 -0.54 1.68 5.08 -1.99 -0.46 114.58 118.46 2kwq h GLU 780 Ca -0.44 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 57.78 2kwq h GLU 780 Cb 1.22 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2kwq h GLU 780 CO 0.55 0.52 0.07 1.79 -1.00 0.00 0.00 179.01 180.94 2kwq h THR 781 N 0.73 1.26 -0.61 1.13 1.35 -1.98 -0.14 112.91 114.65 2kwq h THR 781 Ca 0.19 -0.99 -0.06 0.00 -0.55 0.00 0.00 66.41 65.00 2kwq h THR 781 Cb 0.00 0.85 -0.02 0.00 -1.73 0.00 0.00 68.15 67.24 2kwq h THR 781 CO -0.03 0.36 0.15 0.00 -0.25 0.00 0.00 175.52 175.74 2kwq h VAL 783 N 0.89 1.29 -0.19 0.00 2.07 -1.06 -0.06 116.25 119.18 2kwq h VAL 783 Ca 0.19 -1.38 -0.11 0.00 0.82 0.00 0.00 66.70 66.22 2kwq h VAL 783 Cb 0.36 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2kwq h VAL 783 CO 0.00 0.45 -0.32 -1.28 0.02 0.00 0.00 177.57 176.44 2kwq h SER 784 N 0.53 0.62 0.89 0.57 0.87 -0.90 -2.92 113.55 113.20 2kwq h SER 784 Ca 0.07 -0.53 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2kwq h SER 784 Cb 0.79 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2kwq h SER 784 CO 0.06 1.03 0.00 -0.62 -0.53 0.00 0.00 176.83 176.77 2kwq n GLU 785 N -4.32 0.01 -2.82 2.24 -0.58 -0.06 -4.96 120.64 110.15 2kwq n GLU 785 Ca -0.06 0.05 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 2kwq n GLU 785 Cb 0.49 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.91 2kwq n GLU 785 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2kwq n ASN 786 N -1.49 -2.38 -4.65 1.62 2.85 -0.51 -5.02 115.26 105.68 2kwq n ASN 786 Ca 0.06 -0.33 -0.34 0.00 -0.11 0.00 0.00 54.58 53.87 2kwq n ASN 786 Cb 0.30 -2.99 0.12 0.00 1.24 0.00 0.00 39.78 38.45 2kwq n ASN 786 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2kwq n HIS 787 N -2.87 0.87 -2.97 1.20 8.25 -0.15 -5.02 115.22 114.53 2kwq n HIS 787 Ca -0.13 0.39 -0.40 0.00 -0.26 0.00 0.00 57.72 57.32 2kwq n HIS 787 Cb 0.58 -2.07 -0.06 0.00 1.12 0.00 0.00 29.99 29.57 2kwq n HIS 787 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2kwq s ASP 788 N -1.98 7.33 0.02 0.41 2.15 -1.26 -4.94 116.67 118.41 2kwq s ASP 788 Ca 0.72 1.58 -0.07 0.00 0.43 0.00 0.00 52.55 55.21 2kwq s ASP 788 Cb -0.30 -2.49 -0.00 0.00 -0.30 0.00 0.00 42.92 39.83 2kwq s ASP 788 CO 0.52 0.13 0.14 0.72 -0.17 0.00 0.00 175.17 176.51 2kwq s PHE 789 N -0.71 0.10 -0.17 -5.34 -0.12 -1.26 -0.54 117.98 109.93 2kwq s PHE 789 Ca 0.37 -0.29 -0.02 0.00 -0.05 0.00 0.00 56.93 56.95 2kwq s PHE 789 Cb -0.22 -0.07 -0.01 0.00 -0.63 0.00 0.00 43.02 42.08 2kwq s PHE 789 CO 0.25 -0.35 -0.09 -1.01 -0.05 0.00 0.00 175.22 173.97 2kwq s HIS 790 N -2.05 2.88 0.14 3.49 3.76 -0.33 -4.95 115.29 118.24 2kwq s HIS 790 Ca -0.09 -0.76 -0.12 0.00 -0.15 0.00 0.00 55.06 53.94 2kwq s HIS 790 Cb -0.04 -1.95 -0.07 0.00 1.11 0.00 0.00 32.58 31.63 2kwq s HIS 790 CO -0.02 -0.34 0.51 -1.58 -0.85 0.00 0.00 174.74 172.47 2kwq s TRP 791 N 0.78 3.57 0.26 1.40 0.52 -1.26 -0.88 118.94 123.33 2kwq s TRP 791 Ca -0.04 0.95 -0.19 0.00 0.02 0.00 0.00 56.10 56.85 2kwq s TRP 791 Cb -0.15 -2.29 0.07 0.00 -1.15 0.00 0.00 33.47 29.95 2kwq s TRP 791 CO 0.01 0.42 0.92 -2.39 0.02 0.00 0.00 176.95 175.94 2kwq n HIS 792 N 0.65 -1.75 -3.68 -1.98 1.44 -0.26 -5.00 115.22 104.65 2kwq n HIS 792 Ca -0.05 -1.48 -0.30 0.00 -2.01 0.00 0.00 57.72 53.88 2kwq n HIS 792 Cb 0.52 0.73 -0.04 0.00 0.12 0.00 0.00 29.99 31.32 2kwq n HIS 792 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 2kwq s ASN 793 N -3.26 6.45 0.00 4.39 -0.87 -1.26 -0.19 114.94 120.19 2kwq s ASN 793 Ca 0.20 0.52 0.00 0.00 -1.57 0.00 0.00 52.86 52.01 2kwq s ASN 793 Cb -0.04 -2.06 0.00 0.00 -0.02 0.00 0.00 41.25 39.13 2kwq s ASN 793 CO 0.08 0.02 0.00 0.61 -2.57 0.00 0.00 177.10 175.24 2kwq n GLY 794 N -0.18 3.34 3.20 0.66 0.00 -0.19 -4.84 105.19 107.20 2kwq n GLY 794 Ca -0.03 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 2kwq n GLY 794 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kwq s VAL 795 N -2.47 -0.03 0.00 1.61 0.11 -1.26 -1.55 120.40 116.82 2kwq s VAL 795 Ca 0.00 0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 59.13 2kwq s VAL 795 Cb 0.00 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2kwq s VAL 795 CO 0.00 0.04 0.17 -1.59 -3.33 0.00 0.00 175.10 170.39 2kwq s LYS 796 N 1.21 3.37 -0.01 1.54 -2.85 -0.78 -4.39 119.74 117.84 2kwq s LYS 796 Ca -0.08 -0.37 0.01 0.00 -1.00 0.00 0.00 55.97 54.52 2kwq s LYS 796 Cb -0.08 -3.05 0.01 0.00 -2.06 0.00 0.00 37.83 32.65 2kwq s LYS 796 CO -0.10 0.66 -0.01 1.03 0.10 0.00 0.00 175.35 177.03 2kwq s ARG 797 N -2.01 0.18 -0.15 1.78 0.52 0.52 -3.27 118.95 116.52 2kwq s ARG 797 Ca 0.28 -0.01 -0.05 0.00 -0.52 0.00 0.00 55.73 55.43 2kwq s ARG 797 Cb -0.13 -0.24 -0.03 0.00 0.52 0.00 0.00 34.95 35.07 2kwq s ARG 797 CO 0.20 -0.02 -0.00 -0.06 0.02 0.00 0.00 175.30 175.43 2kwq s PHE 798 N 0.32 3.12 0.13 -0.53 0.08 -1.26 -1.24 117.98 118.60 2kwq s PHE 798 Ca -0.03 -0.10 0.06 0.00 0.12 0.00 0.00 56.93 56.98 2kwq s PHE 798 Cb -0.05 -1.97 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 2kwq s PHE 798 CO -0.01 0.11 -0.14 -0.06 -0.10 0.00 0.00 175.22 175.02 2kwq s PHE 799 N 0.16 1.45 0.01 0.36 0.40 -0.35 -0.73 117.98 119.28 2kwq s PHE 799 Ca 0.01 -0.56 0.02 0.00 -0.60 0.00 0.00 56.93 55.80 2kwq s PHE 799 Cb -0.13 -0.75 -0.01 0.00 0.51 0.00 0.00 43.02 42.64 2kwq s PHE 799 CO 0.02 0.17 -0.07 0.21 0.70 0.00 0.00 175.22 176.25 2kwq s LYS 800 N -2.83 0.54 0.11 0.44 2.20 -0.21 -2.13 119.74 117.86 2kwq s LYS 800 Ca 0.11 -0.36 -0.06 0.00 -0.36 0.00 0.00 55.97 55.30 2kwq s LYS 800 Cb -0.04 -0.49 -0.06 0.00 -1.51 0.00 0.00 37.83 35.74 2kwq s LYS 800 CO 0.03 0.13 0.37 0.00 -0.36 0.00 0.00 175.35 175.52 2kwq h PRO 802 N 3.17 0.00 0.00 0.00 0.13 -1.89 -0.49 132.00 132.93 2kwq h PRO 802 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kwq h PRO 802 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kwq h PRO 802 CO 0.70 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.47 2kwq n GLY 804 N 1.13 0.47 3.76 0.00 0.00 -0.19 -5.11 105.19 105.25 2kwq n GLY 804 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2kwq n GLY 804 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kwq s ASN 805 N -2.21 4.86 0.14 1.61 2.47 -1.25 -4.81 114.94 115.75 2kwq s ASN 805 Ca 0.00 2.03 0.06 0.00 0.42 0.00 0.00 52.86 55.37 2kwq s ASN 805 Cb 0.00 -2.55 -0.04 0.00 -1.45 0.00 0.00 41.25 37.21 2kwq s ASN 805 CO 0.00 -1.80 -0.14 -0.13 -3.72 0.00 0.00 177.10 171.31 2kwq s ARG 806 N -4.18 1.08 0.30 0.43 1.81 -1.26 -0.85 118.95 116.28 2kwq s ARG 806 Ca 0.67 -1.31 -0.19 0.00 -1.72 0.00 0.00 55.73 53.18 2kwq s ARG 806 Cb -0.21 -0.95 0.03 0.00 -0.45 0.00 0.00 34.95 33.37 2kwq s ARG 806 CO 0.44 0.18 0.71 -0.08 -0.68 0.00 0.00 175.30 175.87 2kwq s THR 807 N -2.31 0.00 0.00 0.02 -1.32 -0.90 -4.99 115.64 106.13 2kwq s THR 807 Ca 0.12 -1.05 0.01 0.00 -1.21 0.00 0.00 61.69 59.55 2kwq s THR 807 Cb -0.04 -2.24 -0.00 0.00 -1.51 0.00 0.00 72.50 68.71 2kwq s THR 807 CO 0.04 0.00 -0.03 -0.63 -2.21 0.00 0.00 174.62 171.79 2kwq s ILE 808 N -3.54 0.20 0.15 5.08 1.01 -1.26 -1.22 121.20 121.62 2kwq s ILE 808 Ca 0.14 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.50 2kwq s ILE 808 Cb -0.05 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.21 2kwq s ILE 808 CO 0.09 -0.01 0.22 -0.55 0.00 0.00 0.00 174.94 174.68 2kwq s SER 809 N -0.24 0.12 0.00 3.58 0.15 -0.37 -4.97 113.70 111.97 2kwq s SER 809 Ca -0.01 -0.93 0.23 0.00 0.70 0.00 0.00 55.95 55.94 2kwq s SER 809 Cb -0.02 0.39 0.16 0.00 -1.71 0.00 0.00 66.02 64.84 2kwq s SER 809 CO -0.00 -0.83 1.17 0.18 1.20 0.00 0.00 173.24 174.95 2kwq n LEU 810 N -0.17 0.73 -4.87 3.45 7.99 -1.26 -0.36 117.00 122.52 2kwq n LEU 810 Ca -0.08 -0.23 -0.24 0.00 -0.01 0.00 0.00 56.01 55.45 2kwq n LEU 810 Cb 0.63 -0.13 -0.02 0.00 -0.11 0.00 0.00 43.42 43.79 2kwq n LEU 810 CO 0.26 0.18 0.01 -0.62 -1.51 0.00 0.00 177.39 175.71 2kwq s ASP 811 N -3.01 4.76 0.06 -1.43 2.15 -1.26 -4.73 116.67 113.21 2kwq s ASP 811 Ca 0.10 -1.03 0.08 0.00 0.43 0.00 0.00 52.55 52.12 2kwq s ASP 811 Cb 0.17 -0.08 0.36 0.00 -0.30 0.00 0.00 42.92 43.06 2kwq s ASP 811 CO 0.78 -0.86 1.23 -2.11 -0.17 0.00 0.00 175.17 174.04 2kwq n ARG 812 N -1.62 0.03 -3.63 4.34 1.85 -1.26 -4.67 116.66 111.70 2kwq n ARG 812 Ca 0.01 0.46 -0.15 0.00 -1.00 0.00 0.00 57.85 57.17 2kwq n ARG 812 Cb 0.63 -1.59 -0.07 0.00 -1.05 0.00 0.00 32.46 30.38 2kwq n ARG 812 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2kwq s LEU 813 N -3.30 -0.49 0.67 2.89 2.96 -1.26 -4.94 118.68 115.22 2kwq s LEU 813 Ca 0.01 1.15 -0.14 0.00 -0.22 0.00 0.00 54.13 54.94 2kwq s LEU 813 Cb 0.03 2.28 0.00 0.00 0.50 0.00 0.00 46.19 49.01 2kwq s LEU 813 CO 0.11 -0.32 1.09 -2.16 -1.32 0.00 0.00 176.35 173.75 2kwq s PRO 814 N -0.04 2.82 0.13 0.98 0.04 -1.26 -4.93 135.00 132.74 2kwq s PRO 814 Ca -0.03 1.23 0.23 0.00 0.04 0.00 0.00 61.00 62.48 2kwq s PRO 814 Cb -0.04 -1.96 0.19 0.00 0.04 0.00 0.00 34.50 32.73 2kwq s PRO 814 CO 0.03 -1.21 1.19 1.57 0.04 0.00 0.00 177.00 178.62 2kwq h LYS 815 N -0.23 0.00 -6.06 4.56 -0.00 -2.00 -3.49 116.57 109.35 2kwq h LYS 815 Ca -0.46 0.00 -0.61 0.00 -0.00 0.00 0.00 60.65 59.59 2kwq h LYS 815 Cb 1.23 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 33.40 2kwq h LYS 815 CO 0.55 0.00 -0.53 -1.59 -0.00 0.00 0.00 179.45 177.87 2kwq s LYS 816 N -3.22 3.19 0.57 0.07 0.00 -1.26 -5.12 119.74 113.97 2kwq s LYS 816 Ca 0.04 -0.60 -0.16 0.00 0.00 0.00 0.00 55.97 55.25 2kwq s LYS 816 Cb 0.13 -2.88 -0.05 0.00 0.00 0.00 0.00 37.83 35.03 2kwq s LYS 816 CO 0.76 0.56 1.03 -1.01 0.00 0.00 0.00 175.35 176.69 2kwq s HIS 817 N -1.54 3.22 0.40 1.78 3.76 -1.26 -4.92 115.29 116.73 2kwq s HIS 817 Ca 0.33 1.48 -0.27 0.00 -0.15 0.00 0.00 55.06 56.44 2kwq s HIS 817 Cb -0.12 -2.90 -0.10 0.00 1.11 0.00 0.00 32.58 30.58 2kwq s HIS 817 CO 0.26 -0.79 1.41 0.00 -0.85 0.00 0.00 174.74 174.77 2kwq h SER 819 N 2.77 0.00 0.06 0.00 0.87 -1.94 -3.02 113.55 112.28 2kwq h SER 819 Ca -0.50 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 59.68 2kwq h SER 819 Cb 1.25 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.15 2kwq h SER 819 CO 0.63 0.04 -2.31 0.41 -0.53 0.00 0.00 176.83 175.07 2kwq n THR 820 N -3.00 1.55 0.00 2.23 -1.04 -1.26 -4.75 114.28 108.01 2kwq n THR 820 Ca 0.03 -0.65 0.00 0.00 -2.04 0.00 0.00 64.05 61.39 2kwq n THR 820 Cb 0.55 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 2kwq n THR 820 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kwq n GLY 822 N 0.74 1.14 0.00 0.00 0.00 -1.14 -5.02 105.19 100.91 2kwq n GLY 822 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kwq n GLY 822 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kwq n LEU 823 N 0.00 0.00 -3.58 0.99 -0.00 -1.26 -4.38 117.00 108.77 2kwq n LEU 823 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 2kwq n LEU 823 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 2kwq n LEU 823 CO 0.00 -0.41 -0.31 0.12 -0.00 0.00 0.00 177.39 176.79 2kwq s PHE 824 N 0.01 0.98 -0.04 1.47 5.36 -1.26 -1.24 117.98 123.26 2kwq s PHE 824 Ca 0.00 -1.53 0.22 0.00 -0.96 0.00 0.00 56.93 54.66 2kwq s PHE 824 Cb 0.00 -1.22 0.38 0.00 -0.34 0.00 0.00 43.02 41.85 2kwq s PHE 824 CO 0.00 -0.83 1.15 1.63 -1.46 0.00 0.00 175.22 175.71 2kwq n LYS 825 N 4.52 0.26 -1.77 10.12 4.76 -1.26 -5.11 118.16 129.68 2kwq n LYS 825 Ca 0.03 -2.05 -0.40 0.00 -2.87 0.00 0.00 58.31 53.02 2kwq n LYS 825 Cb 0.39 -0.14 0.02 0.00 -1.84 0.00 0.00 35.03 33.46 2kwq n LYS 825 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2kwq s TRP 826 N -0.50 2.43 -0.03 2.13 0.52 -1.26 -4.39 118.94 117.83 2kwq s TRP 826 Ca 0.28 1.24 0.03 0.00 0.02 0.00 0.00 56.10 57.68 2kwq s TRP 826 Cb 0.33 -3.95 0.00 0.00 -1.15 0.00 0.00 33.47 28.70 2kwq s TRP 826 CO -0.13 -3.03 -0.12 -2.00 0.02 0.00 0.00 176.95 171.70 2kwq s GLU 827 N -2.46 1.22 0.16 4.98 2.12 0.05 -4.96 118.70 119.81 2kwq s GLU 827 Ca 0.61 -0.41 -0.31 0.00 0.36 0.00 0.00 54.97 55.22 2kwq s GLU 827 Cb -0.44 -1.11 -0.10 0.00 0.26 0.00 0.00 34.13 32.74 2kwq s GLU 827 CO 0.57 0.16 1.53 0.50 -0.54 0.00 0.00 175.26 177.49 2kwq s ARG 828 N 0.11 4.23 0.40 4.30 6.06 -1.26 -1.05 118.95 131.75 2kwq s ARG 828 Ca -0.03 2.32 0.03 0.00 -2.50 0.00 0.00 55.73 55.55 2kwq s ARG 828 Cb -0.09 -3.16 -0.04 0.00 0.06 0.00 0.00 34.95 31.72 2kwq s ARG 828 CO 0.01 -0.57 0.07 0.14 -2.50 0.00 0.00 175.30 172.45 2kwq s VAL 829 N 1.06 0.99 0.93 7.11 -7.23 0.09 -4.90 120.40 118.45 2kwq s VAL 829 Ca 0.68 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.72 2kwq s VAL 829 Cb -0.43 -2.50 0.19 0.00 0.56 0.00 0.00 36.38 34.21 2kwq s VAL 829 CO 0.32 0.00 1.28 -0.83 -0.31 0.00 0.00 175.10 175.56 2kwq s GLY 830 N -3.63 1.78 0.42 2.32 0.00 -1.26 -4.34 107.32 102.61 2kwq s GLY 830 Ca 0.25 -1.30 -0.23 0.00 0.00 0.00 0.00 44.72 43.45 2kwq s GLY 830 CO 0.13 -0.54 1.01 -0.29 0.00 0.00 0.00 173.10 173.40 2kwq s MET 831 N -5.80 4.15 -0.53 2.90 1.75 -1.26 -4.81 119.30 115.70 2kwq s MET 831 Ca 0.73 1.36 -0.28 0.00 -1.25 0.00 0.00 55.69 56.26 2kwq s MET 831 Cb -0.04 -2.39 -0.00 0.00 2.84 0.00 0.00 34.83 35.24 2kwq s MET 831 CO 0.52 -0.13 1.62 -0.51 -0.65 0.00 0.00 175.02 175.86 2kwq s LEU 832 N -2.88 3.39 0.00 4.11 2.01 -1.26 -4.87 118.68 119.18 2kwq s LEU 832 Ca 0.60 0.50 0.30 0.00 0.01 0.00 0.00 54.13 55.54 2kwq s LEU 832 Cb -0.17 -2.99 1.55 0.00 0.01 0.00 0.00 46.19 44.59 2kwq s LEU 832 CO 0.22 -1.90 2.04 2.29 1.01 0.00 0.00 176.35 180.00 2kwq n LYS 833 N 8.77 0.95 -3.05 1.70 2.85 -1.26 -4.32 118.16 123.81 2kwq n LYS 833 Ca 0.17 -0.21 -0.17 0.00 -1.05 0.00 0.00 58.31 57.04 2kwq n LYS 833 Cb 0.50 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.35 2kwq n LYS 833 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2kwq n GLU 834 N -0.84 0.61 -2.30 -1.58 2.13 -1.26 -5.15 120.64 112.25 2kwq n GLU 834 Ca 0.20 -2.63 -0.37 0.00 0.66 0.00 0.00 57.16 55.01 2kwq n GLU 834 Cb 0.21 -1.40 -0.02 0.00 0.27 0.00 0.00 31.44 30.50 2kwq n GLU 834 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2kwq s LYS 835 N -0.15 3.86 0.50 5.31 1.02 -1.26 -5.06 119.74 123.96 2kwq s LYS 835 Ca 0.33 1.75 -0.11 0.00 0.02 0.00 0.00 55.97 57.96 2kwq s LYS 835 Cb 0.14 -2.46 -0.06 0.00 -0.52 0.00 0.00 37.83 34.93 2kwq s LYS 835 CO -0.16 -0.46 0.89 0.95 -0.92 0.00 0.00 175.35 175.65 2kwq s THR 836 N -1.54 4.73 0.25 2.17 -4.23 -1.26 -5.12 115.64 110.64 2kwq s THR 836 Ca 0.62 0.75 0.08 0.00 -1.18 0.00 0.00 61.69 61.96 2kwq s THR 836 Cb -0.28 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.73 2kwq s THR 836 CO 0.34 -0.79 0.06 -0.83 -0.54 0.00 0.00 174.62 172.87 2kwq s GLY 837 N -3.58 1.58 0.69 3.99 0.00 -1.26 -5.14 107.32 103.59 2kwq s GLY 837 Ca 0.53 -1.54 -0.11 0.00 0.00 0.00 0.00 44.72 43.60 2kwq s GLY 837 CO 0.40 -1.59 1.06 2.56 0.00 0.00 0.00 173.10 175.52 2kwq s PRO 838 N -3.65 2.93 0.10 2.90 0.04 -1.26 -4.99 135.00 131.08 2kwq s PRO 838 Ca 0.31 1.00 0.27 0.00 0.04 0.00 0.00 61.00 62.63 2kwq s PRO 838 Cb -0.07 -1.99 1.01 0.00 0.04 0.00 0.00 34.50 33.49 2kwq s PRO 838 CO 0.21 -1.11 1.84 1.63 0.04 0.00 0.00 177.00 179.62 2kwq n LYS 839 N -3.03 0.13 -3.57 4.56 4.01 -1.26 -4.88 118.16 114.12 2kwq n LYS 839 Ca 0.08 0.10 -0.17 0.00 -0.51 0.00 0.00 58.31 57.81 2kwq n LYS 839 Cb 0.53 -1.65 -0.07 0.00 -0.51 0.00 0.00 35.03 33.34 2kwq n LYS 839 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2kwq s LEU 840 N -3.75 -0.40 0.00 -0.35 2.96 -1.26 -5.19 118.68 110.68 2kwq s LEU 840 Ca 0.12 0.67 0.00 0.00 -0.22 0.00 0.00 54.13 54.70 2kwq s LEU 840 Cb 0.16 2.31 0.00 0.00 0.50 0.00 0.00 46.19 49.16 2kwq s LEU 840 CO 0.57 -0.55 0.00 0.61 -1.32 0.00 0.00 176.35 175.66 2kwq n GLY 841 N 1.12 -0.62 0.00 7.98 0.00 -1.26 -5.23 105.19 107.18 2kwq n GLY 841 Ca -0.19 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2kwq n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93