#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwq n PRO -3 N 0.00 -0.19 -1.68 1.61 -0.02 -1.26 -5.02 135.00 128.45 2kwq n PRO -3 Ca 0.00 0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 61.17 2kwq n PRO -3 Cb 0.00 -2.29 0.05 0.00 -0.02 0.00 0.00 33.50 31.24 2kwq n PRO -3 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kwq s MET -2 N -4.21 2.78 0.28 -0.52 0.23 -1.26 -5.10 119.30 111.50 2kwq s MET -2 Ca 0.67 1.28 0.06 0.00 -1.03 0.00 0.00 55.69 56.67 2kwq s MET -2 Cb -0.25 -1.96 -0.06 0.00 -1.53 0.00 0.00 34.83 31.03 2kwq s MET -2 CO 0.57 -1.25 -0.04 0.20 -2.03 0.00 0.00 175.02 172.47 2kwq s GLY -1 N -2.89 1.81 0.01 3.16 0.00 -1.26 -5.18 107.32 102.97 2kwq s GLY -1 Ca 0.64 -1.90 0.03 0.00 0.00 0.00 0.00 44.72 43.49 2kwq s GLY -1 CO 0.45 -1.81 -0.08 1.06 0.00 0.00 0.00 173.10 172.72 2kwq s MET 755 N -3.77 0.60 0.33 2.90 -1.94 -1.26 -5.07 119.30 111.09 2kwq s MET 755 Ca 0.30 -0.45 0.00 0.00 -1.71 0.00 0.00 55.69 53.82 2kwq s MET 755 Cb 0.05 -0.53 0.00 0.00 2.01 0.00 0.00 34.83 36.36 2kwq s MET 755 CO 0.12 0.13 0.00 1.04 -0.01 0.00 0.00 175.02 176.30 2kwq n GLN 756 N 2.38 0.00 -1.42 2.03 1.13 -1.26 -5.01 117.38 115.23 2kwq n GLN 756 Ca -0.16 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.60 2kwq n GLN 756 Cb 0.56 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.85 2kwq n GLN 756 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2kwq n SER 757 N -3.47 7.25 -4.39 1.08 7.64 -1.26 -4.89 113.62 115.58 2kwq n SER 757 Ca 0.00 -2.80 -0.32 0.00 1.01 0.00 0.00 58.87 56.76 2kwq n SER 757 Cb 0.00 -1.42 -0.14 0.00 -1.01 0.00 0.00 64.21 61.64 2kwq n SER 757 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kwq s ILE 758 N 0.28 2.65 -1.51 0.44 -1.09 -1.26 -5.05 121.20 115.66 2kwq s ILE 758 Ca 0.63 -0.87 -0.10 0.00 -2.23 0.00 0.00 60.65 58.09 2kwq s ILE 758 Cb 0.26 -2.01 -0.01 0.00 -1.58 0.00 0.00 42.46 39.12 2kwq s ILE 758 CO -0.08 0.58 2.64 -2.11 -1.23 0.00 0.00 174.94 174.74 2kwq n ARG 759 N 2.58 3.73 -3.64 2.79 1.85 -1.26 -4.77 116.66 117.95 2kwq n ARG 759 Ca -0.17 -2.62 -0.04 0.00 -1.00 0.00 0.00 57.85 54.02 2kwq n ARG 759 Cb 0.52 -2.86 -0.01 0.00 -1.05 0.00 0.00 32.46 29.05 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 1.55 0.80 -0.01 2.89 -1.05 -1.26 -4.55 118.70 117.06 2kwq s GLU 760 Ca 0.61 -0.39 -0.17 0.00 -0.15 0.00 0.00 54.97 54.86 2kwq s GLU 760 Cb 0.17 0.30 0.03 0.00 -0.44 0.00 0.00 34.13 34.19 2kwq s GLU 760 CO -0.07 -0.36 0.37 1.14 0.95 0.00 0.00 175.26 177.29 2kwq s GLN 761 N -2.93 0.74 0.39 -4.83 -2.07 -1.22 -5.01 119.66 104.73 2kwq s GLN 761 Ca 0.10 -0.15 -0.20 0.00 -1.82 0.00 0.00 55.36 53.29 2kwq s GLN 761 Cb 0.00 0.33 -0.10 0.00 -1.09 0.00 0.00 33.01 32.15 2kwq s GLN 761 CO -0.03 -0.21 0.90 -1.54 -1.32 0.00 0.00 175.29 173.08 2kwq s SER 762 N -1.38 6.94 0.08 12.60 1.04 -1.26 -2.11 113.70 129.61 2kwq s SER 762 Ca -0.12 1.60 -0.26 0.00 0.48 0.00 0.00 55.95 57.65 2kwq s SER 762 Cb -0.04 -2.50 0.08 0.00 0.10 0.00 0.00 66.02 63.66 2kwq s SER 762 CO 0.04 -0.29 0.72 0.00 0.98 0.00 0.00 173.24 174.70 2kwq s ARG 764 N -3.30 4.53 0.17 0.00 3.52 -1.26 -1.05 118.95 121.56 2kwq s ARG 764 Ca 0.02 1.82 -0.04 0.00 -0.13 0.00 0.00 55.73 57.40 2kwq s ARG 764 Cb -0.01 -3.08 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 2kwq s ARG 764 CO -0.10 0.10 0.18 0.14 -0.81 0.00 0.00 175.30 174.82 2kwq s VAL 765 N -1.22 0.05 -0.09 7.11 -7.23 0.59 -4.77 120.40 114.83 2kwq s VAL 765 Ca 0.47 -1.76 -0.06 0.00 -1.81 0.00 0.00 61.98 58.83 2kwq s VAL 765 Cb -0.32 -2.15 0.04 0.00 0.56 0.00 0.00 36.38 34.51 2kwq s VAL 765 CO 0.41 -0.23 0.22 0.54 -0.31 0.00 0.00 175.10 175.73 2kwq s VAL 766 N -4.06 -0.03 -0.32 1.32 0.11 0.49 -1.09 120.40 116.82 2kwq s VAL 766 Ca 0.27 0.10 -0.10 0.00 -2.93 0.00 0.00 61.98 59.32 2kwq s VAL 766 Cb 0.05 -0.33 -0.01 0.00 -1.53 0.00 0.00 36.38 34.56 2kwq s VAL 766 CO 0.05 0.04 0.17 -0.89 -3.33 0.00 0.00 175.10 171.14 2kwq s THR 767 N 0.86 4.68 -0.07 5.04 2.01 -0.24 -1.19 115.64 126.72 2kwq s THR 767 Ca -0.06 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 2kwq s THR 767 Cb -0.07 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 2kwq s THR 767 CO -0.05 0.03 1.32 0.00 -0.69 0.00 0.00 174.62 175.23 2kwq h LYS 769 N 7.95 0.00 0.00 0.00 1.79 -1.29 -1.24 116.57 123.78 2kwq h LYS 769 Ca -0.34 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.05 2kwq h LYS 769 Cb 1.15 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.81 2kwq h LYS 769 CO 0.92 0.35 -0.31 1.15 -1.08 0.00 0.00 179.45 180.48 2kwq h THR 770 N 0.00 1.53 0.00 -0.16 2.02 -1.93 -3.36 112.91 111.02 2kwq h THR 770 Ca -0.00 -1.98 0.00 0.00 0.77 0.00 0.00 66.41 65.19 2kwq h THR 770 Cb 1.24 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 70.41 2kwq h THR 770 CO 0.05 0.55 -1.18 0.00 0.37 0.00 0.00 175.52 175.31 2kwq n LYS 772 N -1.92 -0.85 -2.30 0.00 4.01 -0.47 -5.04 118.16 111.59 2kwq n LYS 772 Ca 0.01 0.88 -0.27 0.00 -0.51 0.00 0.00 58.31 58.42 2kwq n LYS 772 Cb 0.44 -4.87 0.03 0.00 -0.51 0.00 0.00 35.03 30.12 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 -2.38 3.26 -0.11 2.13 -0.85 -1.22 -4.93 117.35 113.25 2kwq s TYR 773 Ca 0.00 0.72 0.00 0.00 -0.52 0.00 0.00 57.07 57.27 2kwq s TYR 773 Cb 0.00 -2.80 0.02 0.00 0.38 0.00 0.00 41.96 39.56 2kwq s TYR 773 CO 0.00 -0.89 -0.10 0.99 -1.52 0.00 0.00 175.55 174.03 2kwq s THR 774 N -3.06 1.14 0.37 -3.49 2.01 -1.26 -2.13 115.64 109.22 2kwq s THR 774 Ca 0.55 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 62.21 2kwq s THR 774 Cb -0.11 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 2kwq s THR 774 CO 0.46 0.38 0.17 -1.00 -0.69 0.00 0.00 174.62 173.95 2kwq s HIS 775 N 1.49 1.74 0.23 4.92 3.76 -0.34 -4.87 115.29 122.22 2kwq s HIS 775 Ca 0.02 -1.40 0.08 0.00 -0.15 0.00 0.00 55.06 53.61 2kwq s HIS 775 Cb -0.13 -0.99 0.22 0.00 1.11 0.00 0.00 32.58 32.78 2kwq s HIS 775 CO -0.07 -0.48 1.53 0.74 -0.85 0.00 0.00 174.74 175.61 2kwq h PHE 776 N 1.95 0.09 -3.91 1.40 0.04 -1.86 0.14 116.94 114.80 2kwq h PHE 776 Ca -0.32 -0.04 -0.11 0.00 2.80 0.00 0.00 57.97 60.29 2kwq h PHE 776 Cb 1.26 -0.01 -0.16 0.00 2.20 0.00 0.00 35.95 39.23 2kwq h PHE 776 CO 1.48 0.74 -0.52 -1.59 -0.60 0.00 0.00 178.31 177.82 2kwq s LYS 777 N -3.47 0.66 0.41 1.51 -2.85 -1.26 -4.45 119.74 110.29 2kwq s LYS 777 Ca -0.02 -0.92 -0.25 0.00 -1.00 0.00 0.00 55.97 53.79 2kwq s LYS 777 Cb 0.12 0.25 -0.08 0.00 -2.06 0.00 0.00 37.83 36.06 2kwq s LYS 777 CO 0.78 -0.17 1.16 -1.25 0.10 0.00 0.00 175.35 175.98 2kwq s PRO 778 N -3.24 4.00 0.72 1.78 0.04 -1.26 -4.93 135.00 132.11 2kwq s PRO 778 Ca 0.00 1.80 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 2kwq s PRO 778 Cb 0.03 -2.60 0.03 0.00 0.04 0.00 0.00 34.50 31.99 2kwq s PRO 778 CO -0.08 -0.36 1.18 0.15 0.04 0.00 0.00 177.00 177.94 2kwq s LYS 779 N -2.40 2.25 0.40 4.56 1.02 -1.26 -4.82 119.74 119.49 2kwq s LYS 779 Ca 0.59 1.66 0.08 0.00 0.02 0.00 0.00 55.97 58.32 2kwq s LYS 779 Cb -0.30 -1.86 0.82 0.00 -0.52 0.00 0.00 37.83 35.98 2kwq s LYS 779 CO 0.37 -1.73 1.98 0.93 -0.92 0.00 0.00 175.35 175.98 2kwq h GLU 780 N -0.28 0.38 -0.35 1.68 3.07 -1.99 0.33 114.58 117.42 2kwq h GLU 780 Ca -0.47 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.30 2kwq h GLU 780 Cb 1.28 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 2kwq h GLU 780 CO 0.50 0.37 0.11 1.79 -1.40 0.00 0.00 179.01 180.38 2kwq h THR 781 N 0.38 1.21 -0.27 1.13 1.35 -1.98 -1.08 112.91 113.64 2kwq h THR 781 Ca 0.09 -0.69 -0.12 0.00 -0.55 0.00 0.00 66.41 65.14 2kwq h THR 781 Cb 0.18 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 2kwq h THR 781 CO -0.00 0.24 -0.33 0.00 -0.25 0.00 0.00 175.52 175.18 2kwq h VAL 783 N 0.49 1.28 -0.25 0.00 2.07 -0.99 -1.15 116.25 117.70 2kwq h VAL 783 Ca 0.06 -1.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.30 2kwq h VAL 783 Cb 0.81 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2kwq h VAL 783 CO 0.07 0.39 -0.18 -1.28 0.02 0.00 0.00 177.57 176.58 2kwq h SER 784 N 0.47 0.60 0.55 0.57 0.87 -0.89 -3.05 113.55 112.68 2kwq h SER 784 Ca 0.09 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2kwq h SER 784 Cb 0.62 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2kwq h SER 784 CO 0.04 0.92 0.00 -0.62 -0.53 0.00 0.00 176.83 176.64 2kwq n GLU 785 N -4.41 0.41 -3.56 2.24 -0.58 0.30 -4.95 120.64 110.10 2kwq n GLU 785 Ca -0.04 0.01 -0.19 0.00 -0.42 0.00 0.00 57.16 56.52 2kwq n GLU 785 Cb 0.40 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.83 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 -1.29 -1.69 -4.71 1.62 3.02 -0.72 -5.01 115.26 106.48 2kwq n ASN 786 Ca 0.14 -0.71 -0.33 0.00 -0.03 0.00 0.00 54.58 53.64 2kwq n ASN 786 Cb 0.23 -4.64 0.11 0.00 -0.61 0.00 0.00 39.78 34.87 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 -3.50 1.97 0.06 3.10 3.76 -0.51 -5.03 115.29 115.14 2kwq s HIS 787 Ca 0.01 1.64 -0.24 0.00 -0.15 0.00 0.00 55.06 56.32 2kwq s HIS 787 Cb -0.00 -3.43 -0.06 0.00 1.11 0.00 0.00 32.58 30.20 2kwq s HIS 787 CO 0.77 -2.63 0.74 -0.51 -0.85 0.00 0.00 174.74 172.26 2kwq s ASP 788 N -2.24 7.21 0.05 1.40 1.01 -1.26 -4.92 116.67 117.92 2kwq s ASP 788 Ca 0.72 1.44 0.03 0.00 0.71 0.00 0.00 52.55 55.45 2kwq s ASP 788 Cb -0.27 -2.46 -0.03 0.00 1.01 0.00 0.00 42.92 41.18 2kwq s ASP 788 CO 0.49 0.08 -0.09 0.72 0.21 0.00 0.00 175.17 176.57 2kwq s PHE 789 N -0.34 0.82 -0.20 4.23 -0.71 -1.26 -0.81 117.98 119.72 2kwq s PHE 789 Ca 0.37 -0.51 -0.03 0.00 -1.04 0.00 0.00 56.93 55.71 2kwq s PHE 789 Cb -0.21 -0.48 -0.01 0.00 -1.21 0.00 0.00 43.02 41.12 2kwq s PHE 789 CO 0.23 -0.05 -0.07 -1.01 -1.34 0.00 0.00 175.22 172.97 2kwq s HIS 790 N -1.49 2.92 0.32 3.49 3.76 -0.12 -4.96 115.29 119.21 2kwq s HIS 790 Ca -0.07 -0.94 -0.20 0.00 -0.15 0.00 0.00 55.06 53.70 2kwq s HIS 790 Cb -0.09 -2.04 -0.09 0.00 1.11 0.00 0.00 32.58 31.47 2kwq s HIS 790 CO 0.01 -0.50 0.83 -1.58 -0.85 0.00 0.00 174.74 172.65 2kwq s TRP 791 N 1.24 3.50 0.12 1.40 0.52 -1.26 -1.08 118.94 123.37 2kwq s TRP 791 Ca 0.03 1.48 -0.05 0.00 0.02 0.00 0.00 56.10 57.58 2kwq s TRP 791 Cb -0.14 -2.72 0.02 0.00 -1.15 0.00 0.00 33.47 29.48 2kwq s TRP 791 CO -0.03 0.13 0.28 -2.39 0.02 0.00 0.00 176.95 174.97 2kwq n HIS 792 N 0.05 -1.37 -4.28 -1.98 1.44 -0.25 -4.99 115.22 103.84 2kwq n HIS 792 Ca 0.03 -0.60 -0.32 0.00 -2.01 0.00 0.00 57.72 54.81 2kwq n HIS 792 Cb 0.52 0.30 -0.09 0.00 0.12 0.00 0.00 29.99 30.84 2kwq n HIS 792 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 2kwq s ASN 793 N -1.72 5.06 0.00 4.39 2.47 -1.26 -0.30 114.94 123.57 2kwq s ASN 793 Ca 0.06 -0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.29 2kwq s ASN 793 Cb -0.02 -1.29 0.00 0.00 -1.45 0.00 0.00 41.25 38.49 2kwq s ASN 793 CO 0.04 0.27 0.00 0.61 -3.72 0.00 0.00 177.10 174.29 2kwq n GLY 794 N 1.31 3.80 2.93 1.21 0.00 -0.22 -4.88 105.19 109.34 2kwq n GLY 794 Ca -0.14 -1.22 -0.16 0.00 0.00 0.00 0.00 46.02 44.50 2kwq n GLY 794 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kwq s VAL 795 N -2.10 0.36 0.09 1.61 1.01 -1.26 -1.37 120.40 118.73 2kwq s VAL 795 Ca 0.00 -0.17 0.08 0.00 0.00 0.00 0.00 61.98 61.89 2kwq s VAL 795 Cb 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 2kwq s VAL 795 CO 0.00 0.11 -0.16 -1.59 0.00 0.00 0.00 175.10 173.46 2kwq s LYS 796 N 0.05 1.96 0.14 2.72 -2.85 -0.90 -4.55 119.74 116.31 2kwq s LYS 796 Ca -0.00 -1.07 0.07 0.00 -1.00 0.00 0.00 55.97 53.97 2kwq s LYS 796 Cb -0.04 -2.19 -0.04 0.00 -2.06 0.00 0.00 37.83 33.51 2kwq s LYS 796 CO -0.00 0.51 -0.17 -0.98 0.10 0.00 0.00 175.35 174.80 2kwq s ARG 797 N -1.93 1.14 -0.07 1.78 3.03 0.16 -3.40 118.95 119.67 2kwq s ARG 797 Ca 0.18 -1.29 0.04 0.00 2.03 0.00 0.00 55.73 56.68 2kwq s ARG 797 Cb -0.11 -1.17 -0.02 0.00 -1.03 0.00 0.00 34.95 32.62 2kwq s ARG 797 CO 0.09 0.24 -0.19 -0.06 -1.13 0.00 0.00 175.30 174.26 2kwq s PHE 798 N -1.91 2.61 0.03 5.89 0.08 -1.26 -1.32 117.98 122.10 2kwq s PHE 798 Ca 0.11 -0.51 0.03 0.00 0.12 0.00 0.00 56.93 56.68 2kwq s PHE 798 Cb -0.06 -1.66 -0.02 0.00 -0.57 0.00 0.00 43.02 40.70 2kwq s PHE 798 CO 0.05 -0.08 -0.09 -0.06 -0.10 0.00 0.00 175.22 174.94 2kwq s PHE 799 N -0.24 0.81 0.02 0.36 0.40 -0.33 -0.51 117.98 118.49 2kwq s PHE 799 Ca -0.00 -0.36 0.05 0.00 -0.60 0.00 0.00 56.93 56.02 2kwq s PHE 799 Cb -0.13 -0.48 -0.02 0.00 0.51 0.00 0.00 43.02 42.90 2kwq s PHE 799 CO 0.03 -0.03 -0.16 0.21 0.70 0.00 0.00 175.22 175.97 2kwq s LYS 800 N -1.13 1.17 0.02 0.44 2.20 -0.09 -1.50 119.74 120.86 2kwq s LYS 800 Ca -0.04 -0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 54.83 2kwq s LYS 800 Cb -0.08 -1.19 -0.04 0.00 -1.51 0.00 0.00 37.83 35.01 2kwq s LYS 800 CO 0.01 0.31 0.19 0.00 -0.36 0.00 0.00 175.35 175.49 2kwq h PRO 802 N 3.50 0.00 0.00 0.00 0.13 -1.89 -0.89 132.00 132.85 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 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kwq h PRO 802 CO 0.71 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.48 2kwq n GLY 804 N 0.74 0.70 3.74 0.00 0.00 -0.34 -5.12 105.19 104.92 2kwq n GLY 804 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.90 4.74 0.04 1.61 2.47 -1.25 -4.81 114.94 115.85 2kwq s ASN 805 Ca 0.00 2.25 0.04 0.00 0.42 0.00 0.00 52.86 55.57 2kwq s ASN 805 Cb 0.00 -2.58 -0.02 0.00 -1.45 0.00 0.00 41.25 37.20 2kwq s ASN 805 CO 0.00 -1.89 -0.11 -0.13 -3.72 0.00 0.00 177.10 171.26 2kwq s ARG 806 N -3.81 0.69 0.25 0.43 1.81 -1.26 -1.08 118.95 115.99 2kwq s ARG 806 Ca 0.73 -0.75 -0.15 0.00 -1.72 0.00 0.00 55.73 53.83 2kwq s ARG 806 Cb -0.27 -0.61 0.00 0.00 -0.45 0.00 0.00 34.95 33.63 2kwq s ARG 806 CO 0.41 0.14 0.54 -0.08 -0.68 0.00 0.00 175.30 175.62 2kwq s THR 807 N -1.09 0.00 0.03 0.02 -1.32 -0.56 -5.02 115.64 107.70 2kwq s THR 807 Ca -0.04 -1.25 0.04 0.00 -1.21 0.00 0.00 61.69 59.23 2kwq s THR 807 Cb -0.09 -2.09 -0.02 0.00 -1.51 0.00 0.00 72.50 68.80 2kwq s THR 807 CO 0.01 -0.02 -0.11 -0.63 -2.21 0.00 0.00 174.62 171.66 2kwq s ILE 808 N -3.98 0.88 0.06 5.08 1.01 -1.26 -1.19 121.20 121.81 2kwq s ILE 808 Ca 0.18 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 2kwq s ILE 808 Cb -0.02 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 2kwq s ILE 808 CO 0.07 -0.01 0.01 -0.55 0.00 0.00 0.00 174.94 174.47 2kwq s SER 809 N -0.93 0.42 0.18 3.58 0.15 -0.44 -5.00 113.70 111.67 2kwq s SER 809 Ca 0.00 -0.98 0.15 0.00 0.70 0.00 0.00 55.95 55.83 2kwq s SER 809 Cb -0.07 0.23 -0.03 0.00 -1.71 0.00 0.00 66.02 64.44 2kwq s SER 809 CO 0.01 -0.63 1.19 -0.07 1.20 0.00 0.00 173.24 174.93 2kwq h LEU 810 N 3.06 0.00-10.47 3.45 3.38 -1.85 0.48 115.31 113.37 2kwq h LEU 810 Ca -0.34 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.16 2kwq h LEU 810 Cb 1.15 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.97 2kwq h LEU 810 CO 0.64 0.55 0.22 -1.81 0.09 0.00 0.00 178.44 178.13 2kwq s ASP 811 N -6.20 5.41 0.18 -0.43 1.01 -1.26 -4.76 116.67 110.62 2kwq s ASP 811 Ca 0.01 0.71 0.13 0.00 0.71 0.00 0.00 52.55 54.12 2kwq s ASP 811 Cb 0.08 -1.61 0.70 0.00 1.01 0.00 0.00 42.92 43.11 2kwq s ASP 811 CO 0.78 -1.21 1.41 -2.11 0.21 0.00 0.00 175.17 174.24 2kwq n ARG 812 N -2.71 0.09 -3.61 8.23 1.85 -1.26 -4.64 116.66 114.60 2kwq n ARG 812 Ca 0.06 0.56 -0.12 0.00 -1.00 0.00 0.00 57.85 57.34 2kwq n ARG 812 Cb 0.58 -1.76 -0.07 0.00 -1.05 0.00 0.00 32.46 30.16 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 -3.88 -0.56 1.17 2.89 2.96 -1.26 -4.97 118.68 115.02 2kwq s LEU 813 Ca -0.01 0.98 -0.18 0.00 -0.22 0.00 0.00 54.13 54.70 2kwq s LEU 813 Cb 0.04 2.15 0.27 0.00 0.50 0.00 0.00 46.19 49.16 2kwq s LEU 813 CO 0.14 -0.27 1.12 -2.16 -1.32 0.00 0.00 176.35 173.86 2kwq s PRO 814 N -0.07 -0.96 0.00 0.98 0.04 -1.26 -5.01 135.00 128.71 2kwq s PRO 814 Ca -0.00 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.02 2kwq s PRO 814 Cb -0.04 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.88 2kwq s PRO 814 CO -0.01 -3.55 0.20 0.36 0.04 0.00 0.00 177.00 174.05 2kwq n LYS 815 N -4.65 0.00 -0.31 4.56 -0.00 -1.26 -4.94 118.16 111.55 2kwq n LYS 815 Ca 0.12 -0.20 0.12 0.00 -0.00 0.00 0.00 58.31 58.34 2kwq n LYS 815 Cb 0.59 -0.44 0.28 0.00 -0.00 0.00 0.00 35.03 35.46 2kwq n LYS 815 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2kwq n LYS 816 N 0.00 2.66 -0.44 -1.58 -0.00 -1.26 -5.08 118.16 112.45 2kwq n LYS 816 Ca 0.00 -2.53 0.06 0.00 -0.00 0.00 0.00 58.31 55.84 2kwq n LYS 816 Cb 0.37 -1.54 -0.02 0.00 -0.00 0.00 0.00 35.03 33.83 2kwq n LYS 816 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2kwq n HIS 817 N 1.57 -1.15 -2.45 5.58 8.25 -1.26 -4.87 115.22 120.89 2kwq n HIS 817 Ca 0.23 0.60 -0.42 0.00 -0.26 0.00 0.00 57.72 57.87 2kwq n HIS 817 Cb 0.61 -1.05 -0.03 0.00 1.12 0.00 0.00 29.99 30.64 2kwq n HIS 817 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kwq h SER 819 N 5.99 0.00 0.00 0.00 0.02 -1.91 -2.95 113.55 114.70 2kwq h SER 819 Ca -0.43 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.32 2kwq h SER 819 Cb 1.21 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.72 2kwq h SER 819 CO 0.77 0.00 -1.76 0.41 -1.14 0.00 0.00 176.83 175.11 2kwq n THR 820 N -2.76 0.76 0.00 -2.27 -1.04 -1.26 -4.82 114.28 102.89 2kwq n THR 820 Ca 0.02 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 2kwq n THR 820 Cb 0.30 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 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 1.18 1.21 0.00 0.00 0.00 -1.11 -5.02 105.19 101.45 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 -3.48 0.99 -0.00 -1.26 -4.46 117.00 108.78 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 -0.12 0.00 -0.00 0.00 0.00 43.42 43.30 2kwq n LEU 823 CO 0.00 -0.35 -0.31 0.12 -0.00 0.00 0.00 177.39 176.84 2kwq s PHE 824 N -0.54 0.81 -0.03 1.47 5.36 -1.26 -1.26 117.98 122.53 2kwq s PHE 824 Ca 0.00 -1.68 0.16 0.00 -0.96 0.00 0.00 56.93 54.45 2kwq s PHE 824 Cb 0.00 -0.99 0.30 0.00 -0.34 0.00 0.00 43.02 41.99 2kwq s PHE 824 CO 0.00 -0.83 1.13 1.63 -1.46 0.00 0.00 175.22 175.69 2kwq n LYS 825 N 4.01 0.27 -1.68 10.12 5.02 -1.26 -5.09 118.16 129.55 2kwq n LYS 825 Ca 0.12 -1.90 -0.45 0.00 -2.02 0.00 0.00 58.31 54.05 2kwq n LYS 825 Cb 0.37 -0.43 -0.03 0.00 -0.02 0.00 0.00 35.03 34.91 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 0.04 2.31 -5.15 2.13 7.02 -1.26 -4.48 117.44 118.06 2kwq n TRP 826 Ca 0.06 0.31 -0.31 0.00 -1.02 0.00 0.00 57.50 56.54 2kwq n TRP 826 Cb 0.93 -2.53 -0.17 0.00 -2.42 0.00 0.00 31.31 27.13 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 0.40 2.68 0.04 -0.99 2.12 0.00 -4.94 118.70 118.01 2kwq s GLU 827 Ca 0.74 -0.83 -0.30 0.00 0.36 0.00 0.00 54.97 54.94 2kwq s GLU 827 Cb -0.64 -2.12 -0.07 0.00 0.26 0.00 0.00 34.13 31.55 2kwq s GLU 827 CO 0.42 0.23 1.50 0.50 -0.54 0.00 0.00 175.26 177.38 2kwq s ARG 828 N 0.19 4.25 0.42 4.30 3.52 -1.26 -0.91 118.95 129.45 2kwq s ARG 828 Ca -0.13 2.13 0.07 0.00 -0.13 0.00 0.00 55.73 57.68 2kwq s ARG 828 Cb -0.16 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 2kwq s ARG 828 CO 0.06 -0.63 0.30 0.14 -0.81 0.00 0.00 175.30 174.36 2kwq s VAL 829 N 2.36 2.49 1.09 7.11 -7.23 0.34 -4.93 120.40 121.63 2kwq s VAL 829 Ca 0.68 -1.49 -0.18 0.00 -1.81 0.00 0.00 61.98 59.18 2kwq s VAL 829 Cb -0.35 -2.97 0.25 0.00 0.56 0.00 0.00 36.38 33.86 2kwq s VAL 829 CO 0.29 0.00 1.21 -0.83 -0.31 0.00 0.00 175.10 175.46 2kwq s GLY 830 N -4.04 1.68 0.39 2.32 0.00 -1.26 -4.40 107.32 102.00 2kwq s GLY 830 Ca 0.45 -1.08 -0.26 0.00 0.00 0.00 0.00 44.72 43.82 2kwq s GLY 830 CO 0.26 -0.24 1.27 -0.29 0.00 0.00 0.00 173.10 174.09 2kwq s MET 831 N -5.65 4.05 0.30 2.90 1.75 -1.26 -4.84 119.30 116.55 2kwq s MET 831 Ca 0.73 2.10 -0.28 0.00 -1.25 0.00 0.00 55.69 56.98 2kwq s MET 831 Cb -0.07 -2.80 -0.09 0.00 2.84 0.00 0.00 34.83 34.71 2kwq s MET 831 CO 0.55 -0.40 1.04 -0.51 -0.65 0.00 0.00 175.02 175.05 2kwq s LEU 832 N -2.33 4.48 0.28 4.11 1.02 -1.26 -4.99 118.68 120.00 2kwq s LEU 832 Ca 0.55 2.13 0.20 0.00 0.02 0.00 0.00 54.13 57.03 2kwq s LEU 832 Cb -0.37 -3.75 0.11 0.00 0.02 0.00 0.00 46.19 42.20 2kwq s LEU 832 CO 0.47 -0.13 1.28 0.11 0.02 0.00 0.00 176.35 178.10 2kwq h LYS 833 N 3.60 0.00 -6.89 1.70 1.57 -2.07 -3.47 116.57 111.02 2kwq h LYS 833 Ca -0.47 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.81 2kwq h LYS 833 Cb 1.21 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.55 2kwq h LYS 833 CO 0.66 0.15 0.47 -1.21 -0.57 0.00 0.00 179.45 178.95 2kwq s GLU 834 N -3.16 4.34 0.42 3.15 2.02 -1.26 -5.05 118.70 119.14 2kwq s GLU 834 Ca 0.03 1.76 -0.06 0.00 0.02 0.00 0.00 54.97 56.72 2kwq s GLU 834 Cb 0.07 -2.87 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 2kwq s GLU 834 CO 0.74 -0.05 0.72 0.15 0.02 0.00 0.00 175.26 176.84 2kwq s LYS 835 N -1.98 3.61 0.24 1.61 -0.14 -1.26 -5.03 119.74 116.79 2kwq s LYS 835 Ca 0.52 0.17 0.12 0.00 -1.36 0.00 0.00 55.97 55.42 2kwq s LYS 835 Cb -0.29 -2.46 0.15 0.00 -1.68 0.00 0.00 37.83 33.55 2kwq s LYS 835 CO 0.37 -0.06 1.48 1.79 -0.76 0.00 0.00 175.35 178.18 2kwq h THR 836 N 0.67 1.26 -1.70 2.17 1.35 -2.00 -3.48 112.91 111.18 2kwq h THR 836 Ca -0.47 -2.47 0.31 0.00 -0.55 0.00 0.00 66.41 63.23 2kwq h THR 836 Cb 1.20 2.42 -0.10 0.00 -1.73 0.00 0.00 68.15 69.94 2kwq h THR 836 CO 0.63 0.65 0.82 -0.83 -0.25 0.00 0.00 175.52 176.54 2kwq s GLY 837 N -4.52 -0.31 0.39 5.82 0.00 -1.26 -5.17 107.32 102.26 2kwq s GLY 837 Ca 0.01 0.46 -0.25 0.00 0.00 0.00 0.00 44.72 44.95 2kwq s GLY 837 CO 0.76 1.49 1.06 2.56 0.00 0.00 0.00 173.10 178.98 2kwq s PRO 838 N -2.36 4.20 0.11 2.90 0.04 -1.26 -5.05 135.00 133.57 2kwq s PRO 838 Ca 0.18 1.56 -0.26 0.00 0.04 0.00 0.00 61.00 62.52 2kwq s PRO 838 Cb 0.03 -2.61 0.08 0.00 0.04 0.00 0.00 34.50 32.04 2kwq s PRO 838 CO -0.02 -0.12 1.05 -1.59 0.04 0.00 0.00 177.00 176.36 2kwq s LYS 839 N -2.39 0.98 0.41 4.56 -2.85 -1.26 -5.17 119.74 114.02 2kwq s LYS 839 Ca 0.57 -0.54 -0.23 0.00 -1.00 0.00 0.00 55.97 54.76 2kwq s LYS 839 Cb -0.24 0.33 -0.09 0.00 -2.06 0.00 0.00 37.83 35.77 2kwq s LYS 839 CO 0.30 -0.45 1.03 -0.51 0.10 0.00 0.00 175.35 175.82 2kwq s LEU 840 N -2.97 4.08 0.07 2.77 1.43 -1.26 -5.00 118.68 117.81 2kwq s LEU 840 Ca 0.13 1.98 0.23 0.00 -1.03 0.00 0.00 54.13 55.44 2kwq s LEU 840 Cb 0.00 -4.27 0.10 0.00 0.03 0.00 0.00 46.19 42.06 2kwq s LEU 840 CO 0.01 -0.51 1.08 0.61 0.23 0.00 0.00 176.35 177.77 2kwq n GLY 841 N 0.17 -1.26 0.00 -3.19 0.00 -1.26 -5.29 105.19 94.37 2kwq n GLY 841 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2kwq n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93