#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 0.54 0.00 1.61 0.13 -1.99 -3.47 132.00 128.82 2kwq h PRO -3 Ca 0.00 -0.70 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 2kwq h PRO -3 Cb 0.00 0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.36 2kwq h PRO -3 CO 0.00 1.30 0.00 0.00 -0.23 0.00 0.00 178.00 179.07 2kwq n MET -2 N -3.94 -0.32 -2.03 0.86 0.00 -1.26 -5.01 117.12 105.42 2kwq n MET -2 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.21 2kwq n MET -2 Cb 0.89 0.00 0.03 0.00 0.00 0.00 0.00 33.22 34.14 2kwq n MET -2 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2kwq s GLY -1 N 0.00 2.74 0.00 3.17 0.00 -1.26 -1.02 107.32 110.95 2kwq s GLY -1 Ca 0.00 1.00 0.30 0.00 0.00 0.00 0.00 44.72 46.02 2kwq s GLY -1 CO 0.00 1.40 1.99 1.15 0.00 0.00 0.00 173.10 177.64 2kwq n MET 755 N -1.54 0.30 -0.08 2.90 -0.00 -1.26 -4.83 117.12 112.61 2kwq n MET 755 Ca 0.13 -0.02 -0.14 0.00 -0.00 0.00 0.00 57.70 57.68 2kwq n MET 755 Cb 0.50 -1.50 -0.05 0.00 -0.00 0.00 0.00 33.22 32.17 2kwq n MET 755 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2kwq h GLN 756 N 0.04 0.72 -6.58 3.17 4.15 -1.92 -3.41 115.11 111.28 2kwq h GLN 756 Ca 0.00 -0.42 -0.52 0.00 0.77 0.00 0.00 58.65 58.48 2kwq h GLN 756 Cb 0.36 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 2kwq h GLN 756 CO 0.00 1.04 0.43 -1.12 -1.93 0.00 0.00 178.83 177.26 2kwq s SER 757 N -6.66 7.34 0.19 -0.69 0.01 -0.19 -4.90 113.70 108.81 2kwq s SER 757 Ca -0.12 1.92 0.07 0.00 1.31 0.00 0.00 55.95 59.14 2kwq s SER 757 Cb 0.09 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 2kwq s SER 757 CO 0.84 -0.20 0.04 -0.63 0.41 0.00 0.00 173.24 173.70 2kwq s ILE 758 N 0.15 3.87 0.58 1.44 -1.09 -1.26 -4.12 121.20 120.75 2kwq s ILE 758 Ca 0.50 -1.43 0.27 0.00 -2.23 0.00 0.00 60.65 57.76 2kwq s ILE 758 Cb -0.26 -2.98 0.36 0.00 -1.58 0.00 0.00 42.46 38.00 2kwq s ILE 758 CO 0.32 -0.17 2.08 0.08 -1.23 0.00 0.00 174.94 176.01 2kwq h ARG 759 N 2.44 0.00 -7.36 2.79 -0.00 -1.98 -3.45 114.38 106.82 2kwq h ARG 759 Ca -0.47 0.00 -0.51 0.00 -0.00 0.00 0.00 59.98 59.01 2kwq h ARG 759 Cb 1.21 0.00 0.09 0.00 -0.00 0.00 0.00 29.97 31.27 2kwq h ARG 759 CO 0.59 0.00 0.38 -1.83 -0.00 0.00 0.00 179.97 179.11 2kwq s GLU 760 N -4.72 2.92 -0.15 0.08 -1.05 -1.26 -4.43 118.70 110.09 2kwq s GLU 760 Ca -0.05 0.82 -0.16 0.00 -0.15 0.00 0.00 54.97 55.44 2kwq s GLU 760 Cb 0.16 -2.00 0.04 0.00 -0.44 0.00 0.00 34.13 31.89 2kwq s GLU 760 CO 0.58 -1.08 0.44 1.14 0.95 0.00 0.00 175.26 177.29 2kwq s GLN 761 N -5.11 0.55 0.34 -4.83 -2.07 -1.05 -4.98 119.66 102.51 2kwq s GLN 761 Ca 0.58 0.54 -0.26 0.00 -1.82 0.00 0.00 55.36 54.40 2kwq s GLN 761 Cb -0.13 0.26 -0.09 0.00 -1.09 0.00 0.00 33.01 31.96 2kwq s GLN 761 CO 0.54 -0.08 1.02 -1.54 -1.32 0.00 0.00 175.29 173.92 2kwq s SER 762 N 0.07 7.09 0.18 12.60 1.04 -1.26 -1.53 113.70 131.88 2kwq s SER 762 Ca -0.01 2.02 -0.14 0.00 0.48 0.00 0.00 55.95 58.29 2kwq s SER 762 Cb -0.03 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.51 2kwq s SER 762 CO 0.01 -0.25 0.43 0.00 0.98 0.00 0.00 173.24 174.41 2kwq s ARG 764 N -3.91 4.57 0.05 0.00 3.52 -1.26 -0.83 118.95 121.09 2kwq s ARG 764 Ca 0.12 1.60 -0.01 0.00 -0.13 0.00 0.00 55.73 57.31 2kwq s ARG 764 Cb 0.01 -3.00 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 2kwq s ARG 764 CO -0.02 0.21 -0.03 0.14 -0.81 0.00 0.00 175.30 174.78 2kwq s VAL 765 N -1.35 0.25 0.06 7.11 -7.23 0.66 -4.79 120.40 115.11 2kwq s VAL 765 Ca 0.48 -1.66 0.07 0.00 -1.81 0.00 0.00 61.98 59.05 2kwq s VAL 765 Cb -0.26 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 2kwq s VAL 765 CO 0.33 -0.90 -0.20 0.54 -0.31 0.00 0.00 175.10 174.57 2kwq s VAL 766 N -3.46 1.61 -0.21 1.32 0.11 0.45 -1.08 120.40 119.14 2kwq s VAL 766 Ca 0.03 -1.25 0.00 0.00 -2.93 0.00 0.00 61.98 57.84 2kwq s VAL 766 Cb 0.05 -1.42 0.02 0.00 -1.53 0.00 0.00 36.38 33.50 2kwq s VAL 766 CO -0.08 0.12 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.78 2kwq s THR 767 N -0.89 2.40 -0.20 5.04 2.01 -0.23 -1.04 115.64 122.74 2kwq s THR 767 Ca 0.06 -0.99 -0.29 0.00 0.31 0.00 0.00 61.69 60.78 2kwq s THR 767 Cb -0.09 -2.12 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 2kwq s THR 767 CO 0.02 0.38 1.35 0.00 -0.69 0.00 0.00 174.62 175.68 2kwq h LYS 769 N 8.89 0.00 -0.00 0.00 1.79 -1.20 -0.81 116.57 125.23 2kwq h LYS 769 Ca -0.28 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.13 2kwq h LYS 769 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2kwq h LYS 769 CO 0.99 0.29 -0.24 1.15 -1.08 0.00 0.00 179.45 180.56 2kwq h THR 770 N 0.00 1.55 0.00 -0.16 2.02 -1.92 -3.36 112.91 111.05 2kwq h THR 770 Ca -0.00 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.23 2kwq h THR 770 Cb 1.10 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 70.28 2kwq h THR 770 CO 0.04 0.53 -1.20 0.00 0.37 0.00 0.00 175.52 175.26 2kwq n LYS 772 N -2.27 -0.63 -3.76 0.00 4.01 -0.31 -5.06 118.16 110.13 2kwq n LYS 772 Ca 0.00 0.67 -0.25 0.00 -0.51 0.00 0.00 58.31 58.23 2kwq n LYS 772 Cb 0.50 -4.58 -0.02 0.00 -0.51 0.00 0.00 35.03 30.42 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 -2.36 3.48 -0.05 2.13 -0.85 -1.21 -4.96 117.35 113.54 2kwq s TYR 773 Ca 0.00 0.19 0.05 0.00 -0.52 0.00 0.00 57.07 56.79 2kwq s TYR 773 Cb 0.00 -1.74 -0.02 0.00 0.38 0.00 0.00 41.96 40.58 2kwq s TYR 773 CO 0.00 0.37 -0.18 0.99 -1.52 0.00 0.00 175.55 175.22 2kwq s THR 774 N -1.97 2.76 0.32 -3.49 2.01 -1.26 -1.64 115.64 112.38 2kwq s THR 774 Ca 0.37 -0.83 -0.18 0.00 0.31 0.00 0.00 61.69 61.36 2kwq s THR 774 Cb -0.10 -2.06 0.03 0.00 0.01 0.00 0.00 72.50 70.38 2kwq s THR 774 CO 0.30 0.58 0.72 -2.28 -0.69 0.00 0.00 174.62 173.26 2kwq s HIS 775 N -0.59 -0.00 0.35 4.92 5.04 -0.20 -5.01 115.29 119.79 2kwq s HIS 775 Ca 0.09 -0.52 0.15 0.00 -1.54 0.00 0.00 55.06 53.24 2kwq s HIS 775 Cb -0.11 0.70 0.80 0.00 0.04 0.00 0.00 32.58 34.01 2kwq s HIS 775 CO 0.01 -1.34 1.84 0.74 -2.34 0.00 0.00 174.74 173.65 2kwq h PHE 776 N 2.02 0.00 -2.09 3.88 0.04 -1.86 0.13 116.94 119.06 2kwq h PHE 776 Ca -0.25 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.57 2kwq h PHE 776 Cb 1.25 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 39.22 2kwq h PHE 776 CO 0.80 0.34 0.40 -1.59 -0.60 0.00 0.00 178.31 177.66 2kwq s LYS 777 N -4.12 0.87 0.52 1.51 -2.85 -1.26 -4.38 119.74 110.03 2kwq s LYS 777 Ca -0.02 -0.05 -0.17 0.00 -1.00 0.00 0.00 55.97 54.73 2kwq s LYS 777 Cb 0.14 0.41 -0.07 0.00 -2.06 0.00 0.00 37.83 36.24 2kwq s LYS 777 CO 0.70 -0.33 0.99 -1.25 0.10 0.00 0.00 175.35 175.57 2kwq s PRO 778 N -2.12 3.88 0.61 1.78 0.04 -1.26 -4.96 135.00 132.97 2kwq s PRO 778 Ca -0.01 1.00 -0.16 0.00 0.04 0.00 0.00 61.00 61.87 2kwq s PRO 778 Cb -0.01 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2kwq s PRO 778 CO -0.02 -0.33 1.07 0.15 0.04 0.00 0.00 177.00 177.91 2kwq s LYS 779 N -4.02 3.17 0.35 4.56 1.02 -1.26 -4.92 119.74 118.64 2kwq s LYS 779 Ca 0.60 1.26 0.03 0.00 0.02 0.00 0.00 55.97 57.88 2kwq s LYS 779 Cb -0.11 -2.01 0.64 0.00 -0.52 0.00 0.00 37.83 35.84 2kwq s LYS 779 CO 0.31 -0.94 2.00 0.93 -0.92 0.00 0.00 175.35 176.73 2kwq h GLU 780 N 0.34 0.83 -0.35 1.68 3.07 -1.99 -0.56 114.58 117.60 2kwq h GLU 780 Ca -0.47 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 58.21 2kwq h GLU 780 Cb 1.23 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 2kwq h GLU 780 CO 0.56 0.55 -0.31 1.79 -1.40 0.00 0.00 179.01 180.21 2kwq h THR 781 N 0.86 1.28 -0.48 1.13 1.35 -1.98 0.17 112.91 115.24 2kwq h THR 781 Ca 0.25 -1.45 -0.08 0.00 -0.55 0.00 0.00 66.41 64.58 2kwq h THR 781 Cb -0.04 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 67.70 2kwq h THR 781 CO -0.06 0.48 -0.03 0.00 -0.25 0.00 0.00 175.52 175.66 2kwq h VAL 783 N 0.72 1.23 -0.26 0.00 2.07 -1.07 -1.33 116.25 117.62 2kwq h VAL 783 Ca 0.13 -0.82 -0.16 0.00 0.82 0.00 0.00 66.70 66.67 2kwq h VAL 783 Cb 0.55 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2kwq h VAL 783 CO 0.03 0.29 -0.50 -1.28 0.02 0.00 0.00 177.57 176.13 2kwq h SER 784 N 0.57 0.78 0.16 0.57 0.87 -0.84 -2.87 113.55 112.78 2kwq h SER 784 Ca 0.14 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2kwq h SER 784 Cb 0.33 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2kwq h SER 784 CO 0.00 1.14 -0.01 -0.62 -0.53 0.00 0.00 176.83 176.81 2kwq n GLU 785 N -4.00 0.90 -3.03 2.24 -0.58 -0.18 -4.94 120.64 111.04 2kwq n GLU 785 Ca -0.03 -0.10 -0.16 0.00 -0.42 0.00 0.00 57.16 56.44 2kwq n GLU 785 Cb 0.59 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 30.00 2kwq n GLU 785 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2kwq n ASN 786 N -0.96 -4.93 -4.73 1.62 3.02 -0.96 -5.00 115.26 103.31 2kwq n ASN 786 Ca 0.21 -0.29 -0.36 0.00 -0.03 0.00 0.00 54.58 54.10 2kwq n ASN 786 Cb 0.18 -3.65 0.07 0.00 -0.61 0.00 0.00 39.78 35.76 2kwq n ASN 786 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2kwq s HIS 787 N -3.11 2.10 0.09 3.10 3.76 -0.54 -5.02 115.29 115.67 2kwq s HIS 787 Ca 0.31 1.51 -0.24 0.00 -0.15 0.00 0.00 55.06 56.49 2kwq s HIS 787 Cb -0.14 -3.64 -0.07 0.00 1.11 0.00 0.00 32.58 29.84 2kwq s HIS 787 CO 0.39 -2.81 0.74 -0.51 -0.85 0.00 0.00 174.74 171.69 2kwq s ASP 788 N -1.50 7.25 0.08 1.40 1.01 -1.26 -4.90 116.67 118.75 2kwq s ASP 788 Ca 0.81 1.49 -0.07 0.00 0.71 0.00 0.00 52.55 55.48 2kwq s ASP 788 Cb -0.36 -2.46 -0.01 0.00 1.01 0.00 0.00 42.92 41.11 2kwq s ASP 788 CO 0.40 0.13 0.15 0.72 0.21 0.00 0.00 175.17 176.78 2kwq s PHE 789 N -0.61 0.21 -0.04 4.23 -0.12 -1.26 -0.67 117.98 119.72 2kwq s PHE 789 Ca 0.36 -0.65 0.02 0.00 -0.05 0.00 0.00 56.93 56.61 2kwq s PHE 789 Cb -0.21 -0.11 0.01 0.00 -0.63 0.00 0.00 43.02 42.07 2kwq s PHE 789 CO 0.23 -0.52 -0.10 -1.58 -0.05 0.00 0.00 175.22 173.21 2kwq s HIS 790 N -3.85 1.12 0.26 3.49 2.46 -0.54 -4.95 115.29 113.28 2kwq s HIS 790 Ca 0.05 -0.33 -0.04 0.00 0.47 0.00 0.00 55.06 55.22 2kwq s HIS 790 Cb 0.05 -0.82 -0.05 0.00 -0.13 0.00 0.00 32.58 31.63 2kwq s HIS 790 CO -0.11 -0.16 0.50 -1.58 -2.47 0.00 0.00 174.74 170.93 2kwq s TRP 791 N 0.38 3.48 0.29 3.88 0.52 -1.26 -1.07 118.94 125.15 2kwq s TRP 791 Ca -0.07 0.56 -0.19 0.00 0.02 0.00 0.00 56.10 56.42 2kwq s TRP 791 Cb -0.11 -2.03 0.07 0.00 -1.15 0.00 0.00 33.47 30.24 2kwq s TRP 791 CO 0.01 0.24 0.92 -3.38 0.02 0.00 0.00 176.95 174.76 2kwq s HIS 792 N -2.00 0.10 0.12 -1.98 -3.43 -0.24 -5.00 115.29 102.86 2kwq s HIS 792 Ca 0.42 -0.64 -0.10 0.00 -0.80 0.00 0.00 55.06 53.94 2kwq s HIS 792 Cb -0.11 0.77 -0.06 0.00 -1.43 0.00 0.00 32.58 31.75 2kwq s HIS 792 CO 0.29 -1.25 0.45 -0.80 -2.00 0.00 0.00 174.74 171.43 2kwq s ASN 793 N -3.24 6.66 0.00 7.38 -0.87 -1.26 -0.24 114.94 123.37 2kwq s ASN 793 Ca 0.19 0.85 0.00 0.00 -1.57 0.00 0.00 52.86 52.33 2kwq s ASN 793 Cb -0.04 -2.20 0.00 0.00 -0.02 0.00 0.00 41.25 38.99 2kwq s ASN 793 CO 0.08 0.11 0.00 0.61 -2.57 0.00 0.00 177.10 175.33 2kwq n GLY 794 N 0.63 4.04 3.28 0.66 0.00 -0.01 -4.86 105.19 108.93 2kwq n GLY 794 Ca -0.05 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.04 -0.02 0.06 1.61 0.11 -1.26 -1.79 120.40 117.08 2kwq s VAL 795 Ca 0.00 0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.15 2kwq s VAL 795 Cb 0.00 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2kwq s VAL 795 CO 0.00 0.03 0.01 -1.59 -3.33 0.00 0.00 175.10 170.21 2kwq s LYS 796 N 1.01 2.65 0.00 1.54 -2.85 -0.58 -4.34 119.74 117.17 2kwq s LYS 796 Ca -0.06 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.15 2kwq s LYS 796 Cb -0.07 -2.60 -0.00 0.00 -2.06 0.00 0.00 37.83 33.11 2kwq s LYS 796 CO -0.08 0.57 -0.02 1.03 0.10 0.00 0.00 175.35 176.95 2kwq s ARG 797 N -2.11 0.13 -0.12 1.78 0.52 0.10 -2.52 118.95 116.74 2kwq s ARG 797 Ca 0.24 -0.08 -0.04 0.00 -0.52 0.00 0.00 55.73 55.33 2kwq s ARG 797 Cb -0.12 -0.11 -0.04 0.00 0.52 0.00 0.00 34.95 35.21 2kwq s ARG 797 CO 0.16 0.03 0.04 -0.06 0.02 0.00 0.00 175.30 175.49 2kwq s PHE 798 N -0.11 3.26 0.08 -0.53 0.08 -1.26 -1.55 117.98 117.96 2kwq s PHE 798 Ca -0.00 0.19 0.03 0.00 0.12 0.00 0.00 56.93 57.27 2kwq s PHE 798 Cb -0.01 -1.90 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 2kwq s PHE 798 CO -0.00 0.41 -0.09 -0.06 -0.10 0.00 0.00 175.22 175.38 2kwq s PHE 799 N -0.52 0.91 0.01 0.36 0.08 -0.38 -0.77 117.98 117.67 2kwq s PHE 799 Ca 0.10 -0.68 0.02 0.00 0.12 0.00 0.00 56.93 56.48 2kwq s PHE 799 Cb -0.12 -0.52 -0.01 0.00 -0.57 0.00 0.00 43.02 41.81 2kwq s PHE 799 CO 0.02 -0.06 -0.06 0.21 -0.10 0.00 0.00 175.22 175.23 2kwq s LYS 800 N -2.72 0.43 0.00 0.44 2.20 -0.19 -2.20 119.74 117.71 2kwq s LYS 800 Ca 0.03 -0.34 -0.02 0.00 -0.36 0.00 0.00 55.97 55.28 2kwq s LYS 800 Cb -0.03 -0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 35.90 2kwq s LYS 800 CO -0.01 0.09 0.16 0.00 -0.36 0.00 0.00 175.35 175.23 2kwq h PRO 802 N 3.75 0.00 0.00 0.00 0.13 -1.88 -0.96 132.00 133.05 2kwq h PRO 802 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.68 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.45 2kwq n GLY 804 N 0.75 0.59 3.75 0.00 0.00 -0.36 -5.11 105.19 104.81 2kwq n GLY 804 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.97 5.04 0.15 1.61 2.47 -1.25 -4.82 114.94 116.17 2kwq s ASN 805 Ca 0.00 2.34 0.07 0.00 0.42 0.00 0.00 52.86 55.69 2kwq s ASN 805 Cb 0.00 -2.59 -0.04 0.00 -1.45 0.00 0.00 41.25 37.17 2kwq s ASN 805 CO 0.00 -1.69 -0.14 -0.13 -3.72 0.00 0.00 177.10 171.41 2kwq s ARG 806 N -3.49 1.12 0.30 0.43 1.81 -1.26 -0.99 118.95 116.87 2kwq s ARG 806 Ca 0.76 -1.35 -0.20 0.00 -1.72 0.00 0.00 55.73 53.22 2kwq s ARG 806 Cb -0.29 -0.99 0.03 0.00 -0.45 0.00 0.00 34.95 33.25 2kwq s ARG 806 CO 0.35 0.18 0.73 -0.08 -0.68 0.00 0.00 175.30 175.81 2kwq s THR 807 N -2.38 0.00 0.00 0.02 -1.32 -0.93 -5.00 115.64 106.03 2kwq s THR 807 Ca 0.13 -1.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 2kwq s THR 807 Cb -0.04 -2.16 -0.00 0.00 -1.51 0.00 0.00 72.50 68.79 2kwq s THR 807 CO 0.04 0.00 -0.01 -0.63 -2.21 0.00 0.00 174.62 171.81 2kwq s ILE 808 N -3.62 0.04 0.19 5.08 1.01 -1.26 -1.25 121.20 121.39 2kwq s ILE 808 Ca 0.12 -0.15 -0.14 0.00 0.00 0.00 0.00 60.65 60.48 2kwq s ILE 808 Cb -0.06 -0.07 0.01 0.00 0.01 0.00 0.00 42.46 42.36 2kwq s ILE 808 CO 0.08 -0.07 0.43 -0.55 0.00 0.00 0.00 174.94 174.83 2kwq s SER 809 N -0.23 -0.12 0.09 3.58 0.15 -0.59 -4.97 113.70 111.60 2kwq s SER 809 Ca -0.02 -0.69 0.17 0.00 0.70 0.00 0.00 55.95 56.11 2kwq s SER 809 Cb -0.02 0.53 -0.11 0.00 -1.71 0.00 0.00 66.02 64.71 2kwq s SER 809 CO -0.00 -1.01 0.87 -0.07 1.20 0.00 0.00 173.24 174.23 2kwq h LEU 810 N 2.33 0.00-10.36 3.45 -0.00 -1.87 0.32 115.31 109.19 2kwq h LEU 810 Ca -0.29 0.00 -0.50 0.00 -0.00 0.00 0.00 57.88 57.08 2kwq h LEU 810 Cb 1.25 0.00 0.06 0.00 -0.00 0.00 0.00 40.66 41.96 2kwq h LEU 810 CO 0.41 0.50 0.36 -1.81 -0.00 0.00 0.00 178.44 177.90 2kwq s ASP 811 N -5.75 6.14 0.59 -0.43 1.01 -1.26 -4.82 116.67 112.15 2kwq s ASP 811 Ca -0.02 1.28 0.39 0.00 0.71 0.00 0.00 52.55 54.91 2kwq s ASP 811 Cb 0.09 -2.36 2.14 0.00 1.01 0.00 0.00 42.92 43.80 2kwq s ASP 811 CO 0.81 -0.87 2.20 0.08 0.21 0.00 0.00 175.17 177.60 2kwq h ARG 812 N -0.25 0.00 -2.43 8.23 0.11 -1.98 -3.42 114.38 114.65 2kwq h ARG 812 Ca -0.45 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.55 2kwq h ARG 812 Cb 1.20 0.00 -0.23 0.00 1.11 0.00 0.00 29.97 32.05 2kwq h ARG 812 CO 0.62 0.00 -0.11 -1.17 0.10 0.00 0.00 179.97 179.41 2kwq s LEU 813 N -5.76 -0.14 0.57 0.08 2.96 -1.26 -4.93 118.68 110.20 2kwq s LEU 813 Ca -0.04 1.09 -0.18 0.00 -0.22 0.00 0.00 54.13 54.78 2kwq s LEU 813 Cb 0.11 1.82 -0.05 0.00 0.50 0.00 0.00 46.19 48.57 2kwq s LEU 813 CO 0.36 -0.19 1.10 -2.16 -1.32 0.00 0.00 176.35 174.14 2kwq s PRO 814 N 0.58 3.28 0.13 0.98 0.04 -1.26 -4.99 135.00 133.76 2kwq s PRO 814 Ca -0.02 1.47 0.16 0.00 0.04 0.00 0.00 61.00 62.64 2kwq s PRO 814 Cb -0.05 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 2kwq s PRO 814 CO -0.03 -0.88 1.03 1.57 0.04 0.00 0.00 177.00 178.72 2kwq h LYS 815 N 0.86 0.00 -6.91 4.56 -0.00 -2.00 -3.48 116.57 109.60 2kwq h LYS 815 Ca -0.49 0.00 -0.48 0.00 -0.00 0.00 0.00 60.65 59.68 2kwq h LYS 815 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.47 2kwq h LYS 815 CO 0.57 0.39 0.20 -1.59 -0.00 0.00 0.00 179.45 179.02 2kwq s LYS 816 N -2.92 3.95 0.70 0.07 0.00 -1.26 -5.10 119.74 115.19 2kwq s LYS 816 Ca -0.01 0.72 -0.11 0.00 0.00 0.00 0.00 55.97 56.57 2kwq s LYS 816 Cb 0.08 -2.32 0.01 0.00 0.00 0.00 0.00 37.83 35.61 2kwq s LYS 816 CO 0.79 -0.02 1.08 -1.01 0.00 0.00 0.00 175.35 176.19 2kwq s HIS 817 N -2.28 3.29 0.44 1.78 3.76 -1.26 -4.96 115.29 116.07 2kwq s HIS 817 Ca 0.55 1.12 -0.25 0.00 -0.15 0.00 0.00 55.06 56.34 2kwq s HIS 817 Cb -0.10 -3.01 -0.08 0.00 1.11 0.00 0.00 32.58 30.50 2kwq s HIS 817 CO 0.24 -1.19 1.36 0.00 -0.85 0.00 0.00 174.74 174.30 2kwq n SER 819 N -0.15 0.63 -0.13 0.00 7.64 -1.26 -3.03 113.62 117.32 2kwq n SER 819 Ca 0.05 0.14 -0.17 0.00 1.01 0.00 0.00 58.87 59.90 2kwq n SER 819 Cb 0.43 0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.53 2kwq n SER 819 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2kwq n THR 820 N -1.98 1.45 0.00 0.44 -1.04 -1.26 -4.79 114.28 107.10 2kwq n THR 820 Ca 0.04 -0.57 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 2kwq n THR 820 Cb 0.41 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 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 1.27 0.88 0.32 0.00 0.00 -1.17 -5.03 105.19 101.46 2kwq n GLY 822 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.66 0.99 -0.00 -1.26 -4.47 117.00 108.60 2kwq n LEU 823 Ca 0.00 -0.17 -0.29 0.00 -0.00 0.00 0.00 56.01 55.55 2kwq n LEU 823 Cb 0.00 -0.06 -0.13 0.00 -0.00 0.00 0.00 43.42 43.23 2kwq n LEU 823 CO 0.00 -0.54 -0.28 0.12 -0.00 0.00 0.00 177.39 176.69 2kwq s PHE 824 N -0.12 1.63 -0.00 1.47 5.36 -1.26 -1.11 117.98 123.95 2kwq s PHE 824 Ca 0.06 -2.12 0.26 0.00 -0.96 0.00 0.00 56.93 54.16 2kwq s PHE 824 Cb -0.00 -1.63 0.42 0.00 -0.34 0.00 0.00 43.02 41.47 2kwq s PHE 824 CO 0.04 -0.81 1.17 1.63 -1.46 0.00 0.00 175.22 175.78 2kwq n LYS 825 N 3.88 0.03 -1.70 10.12 5.02 -1.26 -5.10 118.16 129.15 2kwq n LYS 825 Ca 0.08 -2.01 -0.43 0.00 -2.02 0.00 0.00 58.31 53.92 2kwq n LYS 825 Cb 0.36 -0.02 -0.02 0.00 -0.02 0.00 0.00 35.03 35.33 2kwq n LYS 825 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2kwq n TRP 826 N 0.47 2.42 -5.02 2.13 7.02 -1.26 -4.43 117.44 118.77 2kwq n TRP 826 Ca 0.05 0.40 -0.29 0.00 -1.02 0.00 0.00 57.50 56.64 2kwq n TRP 826 Cb 1.14 -2.50 -0.17 0.00 -2.42 0.00 0.00 31.31 27.36 2kwq n TRP 826 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2kwq s GLU 827 N -0.71 2.38 -0.03 -0.99 2.12 0.04 -4.96 118.70 116.55 2kwq s GLU 827 Ca 0.64 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.94 2kwq s GLU 827 Cb -0.58 -1.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.84 2kwq s GLU 827 CO 0.52 0.22 1.23 0.50 -0.54 0.00 0.00 175.26 177.18 2kwq s ARG 828 N 0.21 4.35 0.40 4.30 3.52 -1.26 -1.02 118.95 129.45 2kwq s ARG 828 Ca -0.11 1.73 0.08 0.00 -0.13 0.00 0.00 55.73 57.29 2kwq s ARG 828 Cb -0.15 -3.53 -0.06 0.00 -1.56 0.00 0.00 34.95 29.65 2kwq s ARG 828 CO 0.05 -0.44 0.09 0.14 -0.81 0.00 0.00 175.30 174.33 2kwq s VAL 829 N 2.08 2.26 1.01 7.11 -7.23 0.05 -4.95 120.40 120.73 2kwq s VAL 829 Ca 0.57 -1.85 -0.13 0.00 -1.81 0.00 0.00 61.98 58.76 2kwq s VAL 829 Cb -0.26 -2.96 0.19 0.00 0.56 0.00 0.00 36.38 33.91 2kwq s VAL 829 CO 0.24 -0.04 1.11 -0.83 -0.31 0.00 0.00 175.10 175.26 2kwq s GLY 830 N -3.80 1.57 0.52 2.32 0.00 -1.26 -4.48 107.32 102.18 2kwq s GLY 830 Ca 0.38 -0.50 -0.21 0.00 0.00 0.00 0.00 44.72 44.39 2kwq s GLY 830 CO 0.20 0.15 1.20 -0.29 0.00 0.00 0.00 173.10 174.36 2kwq s MET 831 N -5.10 3.41 0.32 2.90 1.75 -1.26 -4.89 119.30 116.43 2kwq s MET 831 Ca 0.66 1.84 -0.29 0.00 -1.25 0.00 0.00 55.69 56.65 2kwq s MET 831 Cb -0.17 -2.21 -0.10 0.00 2.84 0.00 0.00 34.83 35.19 2kwq s MET 831 CO 0.56 -0.86 1.41 -0.51 -0.65 0.00 0.00 175.02 174.98 2kwq s LEU 832 N -3.47 4.38 0.00 4.11 2.01 -1.26 -4.96 118.68 119.50 2kwq s LEU 832 Ca 0.70 2.80 0.10 0.00 0.01 0.00 0.00 54.13 57.73 2kwq s LEU 832 Cb -0.30 -3.65 0.20 0.00 0.01 0.00 0.00 46.19 42.45 2kwq s LEU 832 CO 0.35 -0.70 1.06 2.29 1.01 0.00 0.00 176.35 180.37 2kwq n LYS 833 N 1.23 1.89 -3.81 1.70 2.85 -1.26 -5.02 118.16 115.73 2kwq n LYS 833 Ca 0.03 -1.64 -0.12 0.00 -1.05 0.00 0.00 58.31 55.53 2kwq n LYS 833 Cb 0.40 -1.22 -0.09 0.00 -0.65 0.00 0.00 35.03 33.47 2kwq n LYS 833 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2kwq s GLU 834 N -0.93 0.65 0.39 -1.58 2.12 -1.26 -5.16 118.70 112.92 2kwq s GLU 834 Ca 0.17 -0.40 -0.27 0.00 0.36 0.00 0.00 54.97 54.83 2kwq s GLU 834 Cb 0.10 0.28 -0.11 0.00 0.26 0.00 0.00 34.13 34.66 2kwq s GLU 834 CO 0.14 -0.18 1.39 0.36 -0.54 0.00 0.00 175.26 176.43 2kwq n LYS 835 N 1.08 2.35 -3.65 4.30 2.85 -1.26 -5.04 118.16 118.79 2kwq n LYS 835 Ca -0.21 0.83 -0.20 0.00 -1.05 0.00 0.00 58.31 57.68 2kwq n LYS 835 Cb 0.57 -2.53 -0.02 0.00 -0.65 0.00 0.00 35.03 32.40 2kwq n LYS 835 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2kwq s THR 836 N -1.14 4.07 0.00 0.58 -4.23 -1.26 -5.13 115.64 108.54 2kwq s THR 836 Ca 0.56 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 2kwq s THR 836 Cb -0.50 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 69.94 2kwq s THR 836 CO 0.62 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 175.12 2kwq n GLY 837 N -1.52 2.83 3.77 3.99 0.00 -1.26 -5.15 105.19 107.85 2kwq n GLY 837 Ca -0.02 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 2kwq n GLY 837 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kwq s PRO 838 N -2.06 4.52 0.50 1.61 0.04 -1.26 -4.96 135.00 133.39 2kwq s PRO 838 Ca 0.00 1.64 0.32 0.00 0.04 0.00 0.00 61.00 63.00 2kwq s PRO 838 Cb 0.00 -2.97 1.28 0.00 0.04 0.00 0.00 34.50 32.85 2kwq s PRO 838 CO 0.00 0.15 1.93 0.87 0.04 0.00 0.00 177.00 179.99 2kwq h LYS 839 N 3.40 0.00 0.00 4.56 1.57 -2.05 -2.74 116.57 121.31 2kwq h LYS 839 Ca -0.47 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.21 2kwq h LYS 839 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 2kwq h LYS 839 CO 0.65 0.00 -0.45 1.25 -0.57 0.00 0.00 179.45 180.33 2kwq h LEU 840 N 0.00 0.00 0.00 2.94 5.85 -2.08 -3.50 115.31 118.53 2kwq h LEU 840 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kwq h LEU 840 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2kwq h LEU 840 CO 0.00 0.45 0.00 0.61 -0.34 0.00 0.00 178.44 179.16 2kwq n GLY 841 N 0.54 -0.16 0.00 3.75 0.00 -1.03 -5.31 105.19 102.97 2kwq n GLY 841 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2kwq n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93