#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 -1.48 -3.67 1.61 -0.02 -1.26 -5.08 135.00 125.09 2kwq n PRO -3 Ca 0.00 -0.39 -0.10 0.00 -2.02 0.00 0.00 63.50 60.99 2kwq n PRO -3 Cb 0.00 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.20 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 -4.45 1.22 0.00 -0.52 0.23 -1.26 -5.16 119.30 109.37 2kwq s MET -2 Ca 0.67 -0.78 0.00 0.00 -1.03 0.00 0.00 55.69 54.56 2kwq s MET -2 Cb -0.24 0.50 0.00 0.00 -1.53 0.00 0.00 34.83 33.56 2kwq s MET -2 CO 0.62 -0.50 0.00 0.41 -2.03 0.00 0.00 175.02 173.52 2kwq n GLY -1 N -0.29 -0.44 0.36 3.16 0.00 -1.26 -4.78 105.19 101.94 2kwq n GLY -1 Ca -0.13 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.34 2kwq n GLY -1 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2kwq n MET 755 N -0.29 1.48 -3.71 1.61 0.00 -1.26 -4.87 117.12 110.08 2kwq n MET 755 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 57.70 56.85 2kwq n MET 755 Cb 0.00 -1.43 -0.09 0.00 0.00 0.00 0.00 33.22 31.71 2kwq n MET 755 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2kwq s GLN 756 N -1.93 0.66 0.14 3.17 0.74 -1.26 -5.15 119.66 116.04 2kwq s GLN 756 Ca 0.36 0.19 -0.18 0.00 0.05 0.00 0.00 55.36 55.78 2kwq s GLN 756 Cb 0.19 0.31 0.05 0.00 1.10 0.00 0.00 33.01 34.65 2kwq s GLN 756 CO 0.30 -0.15 0.48 -1.54 -0.55 0.00 0.00 175.29 173.82 2kwq s SER 757 N -0.69 -0.35 0.31 6.67 1.04 -1.26 -5.03 113.70 114.40 2kwq s SER 757 Ca -0.08 -0.23 -0.13 0.00 0.48 0.00 0.00 55.95 55.99 2kwq s SER 757 Cb -0.04 0.53 -0.08 0.00 0.10 0.00 0.00 66.02 66.53 2kwq s SER 757 CO 0.04 -0.91 0.70 -0.63 0.98 0.00 0.00 173.24 173.41 2kwq s ILE 758 N -3.79 4.74 0.00 -1.02 -1.09 -1.26 -4.97 121.20 113.80 2kwq s ILE 758 Ca 0.03 0.81 -0.01 0.00 -2.23 0.00 0.00 60.65 59.25 2kwq s ILE 758 Cb 0.01 -3.62 -0.05 0.00 -1.58 0.00 0.00 42.46 37.21 2kwq s ILE 758 CO -0.11 -0.20 2.03 -2.11 -1.23 0.00 0.00 174.94 173.33 2kwq n ARG 759 N -0.41 1.04 -3.57 2.79 1.85 -1.26 -4.66 116.66 112.44 2kwq n ARG 759 Ca 0.03 -0.20 -0.15 0.00 -1.00 0.00 0.00 57.85 56.53 2kwq n ARG 759 Cb 0.53 -1.27 -0.06 0.00 -1.05 0.00 0.00 32.46 30.61 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 0.53 0.87 -0.02 2.89 -1.05 -1.19 -1.84 118.70 118.88 2kwq s GLU 760 Ca 0.13 0.51 0.05 0.00 -0.15 0.00 0.00 54.97 55.50 2kwq s GLU 760 Cb 0.06 0.41 -0.01 0.00 -0.44 0.00 0.00 34.13 34.16 2kwq s GLU 760 CO 0.00 -0.21 -0.16 1.14 0.95 0.00 0.00 175.26 176.98 2kwq s GLN 761 N -0.55 1.47 0.16 -4.83 -2.07 -1.26 -5.04 119.66 107.53 2kwq s GLN 761 Ca -0.05 -0.57 -0.31 0.00 -1.82 0.00 0.00 55.36 52.60 2kwq s GLN 761 Cb -0.02 -1.36 -0.10 0.00 -1.09 0.00 0.00 33.01 30.44 2kwq s GLN 761 CO 0.04 0.30 1.56 -1.12 -1.32 0.00 0.00 175.29 174.75 2kwq s SER 762 N -0.18 6.60 0.35 12.60 0.01 -1.26 -4.00 113.70 127.82 2kwq s SER 762 Ca 0.02 2.59 0.03 0.00 1.31 0.00 0.00 55.95 59.90 2kwq s SER 762 Cb -0.08 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 2kwq s SER 762 CO 0.00 -0.81 0.10 0.00 0.41 0.00 0.00 173.24 172.94 2kwq s ARG 764 N -3.83 3.96 0.19 0.00 3.52 -1.26 -1.26 118.95 120.27 2kwq s ARG 764 Ca 0.31 0.46 0.04 0.00 -0.13 0.00 0.00 55.73 56.41 2kwq s ARG 764 Cb 0.06 -3.02 -0.05 0.00 -1.56 0.00 0.00 34.95 30.38 2kwq s ARG 764 CO 0.15 0.54 -0.04 0.14 -0.81 0.00 0.00 175.30 175.27 2kwq s VAL 765 N -1.36 1.05 -0.02 7.11 -7.23 0.10 -4.74 120.40 115.32 2kwq s VAL 765 Ca 0.34 -2.04 0.02 0.00 -1.81 0.00 0.00 61.98 58.49 2kwq s VAL 765 Cb -0.16 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.68 2kwq s VAL 765 CO 0.18 -0.52 -0.05 0.54 -0.31 0.00 0.00 175.10 174.94 2kwq s VAL 766 N -3.41 0.48 -0.30 1.32 0.11 0.80 -0.79 120.40 118.61 2kwq s VAL 766 Ca 0.23 -0.21 -0.07 0.00 -2.93 0.00 0.00 61.98 59.00 2kwq s VAL 766 Cb 0.04 -0.44 0.01 0.00 -1.53 0.00 0.00 36.38 34.47 2kwq s VAL 766 CO 0.05 0.16 0.10 -0.89 -3.33 0.00 0.00 175.10 171.18 2kwq s THR 767 N 0.18 4.05 -0.25 5.04 2.01 -0.21 -1.33 115.64 125.13 2kwq s THR 767 Ca -0.02 -0.71 -0.29 0.00 0.31 0.00 0.00 61.69 60.98 2kwq s THR 767 Cb -0.06 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 2kwq s THR 767 CO -0.00 0.04 1.31 0.00 -0.69 0.00 0.00 174.62 175.27 2kwq h LYS 769 N 9.01 0.00 0.19 0.00 1.79 -1.14 -1.04 116.57 125.38 2kwq h LYS 769 Ca -0.27 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 57.87 2kwq h LYS 769 Cb 1.10 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.77 2kwq h LYS 769 CO 1.01 0.00 -1.55 1.15 -1.08 0.00 0.00 179.45 178.98 2kwq h THR 770 N 0.00 1.17 0.00 -0.16 2.02 -1.92 -3.37 112.91 110.65 2kwq h THR 770 Ca 0.00 -2.70 0.00 0.00 0.77 0.00 0.00 66.41 64.48 2kwq h THR 770 Cb 0.83 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 70.13 2kwq h THR 770 CO 0.00 0.84 -1.59 0.00 0.37 0.00 0.00 175.52 175.13 2kwq n LYS 772 N -1.96 -3.79 -4.18 0.00 4.01 -0.40 -5.08 118.16 106.77 2kwq n LYS 772 Ca -0.01 0.47 -0.11 0.00 -0.51 0.00 0.00 58.31 58.15 2kwq n LYS 772 Cb 0.46 -4.38 -0.10 0.00 -0.51 0.00 0.00 35.03 30.50 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 -3.20 0.95 -0.05 2.13 -0.85 -1.20 -5.03 117.35 110.10 2kwq s TYR 773 Ca 0.04 -0.94 0.06 0.00 -0.52 0.00 0.00 57.07 55.72 2kwq s TYR 773 Cb -0.02 -0.55 -0.01 0.00 0.38 0.00 0.00 41.96 41.76 2kwq s TYR 773 CO 0.41 -0.17 -0.25 0.99 -1.52 0.00 0.00 175.55 175.01 2kwq s THR 774 N -3.64 2.06 0.38 -3.49 2.01 -1.26 -1.53 115.64 110.17 2kwq s THR 774 Ca 0.14 -1.07 -0.13 0.00 0.31 0.00 0.00 61.69 60.94 2kwq s THR 774 Cb 0.05 -1.73 0.05 0.00 0.01 0.00 0.00 72.50 70.88 2kwq s THR 774 CO -0.03 0.57 0.73 -2.28 -0.69 0.00 0.00 174.62 172.93 2kwq s HIS 775 N -0.23 0.29 -0.00 4.92 5.04 -0.44 -4.89 115.29 119.99 2kwq s HIS 775 Ca -0.02 -0.89 0.29 0.00 -1.54 0.00 0.00 55.06 52.90 2kwq s HIS 775 Cb -0.13 0.67 1.01 0.00 0.04 0.00 0.00 32.58 34.17 2kwq s HIS 775 CO 0.03 -1.50 1.85 0.27 -2.34 0.00 0.00 174.74 173.06 2kwq h PHE 776 N 2.02 0.00 -2.77 3.88 -0.00 -1.85 0.23 116.94 118.45 2kwq h PHE 776 Ca -0.31 0.00 -0.07 0.00 -0.00 0.00 0.00 57.97 57.58 2kwq h PHE 776 Cb 1.25 0.00 -0.17 0.00 -0.00 0.00 0.00 35.95 37.03 2kwq h PHE 776 CO 1.40 0.07 -0.02 -1.59 -0.00 0.00 0.00 178.31 178.18 2kwq s LYS 777 N -3.55 0.96 0.50 6.09 -2.85 -1.26 -4.46 119.74 115.16 2kwq s LYS 777 Ca 0.02 -0.19 -0.16 0.00 -1.00 0.00 0.00 55.97 54.64 2kwq s LYS 777 Cb 0.08 0.44 -0.08 0.00 -2.06 0.00 0.00 37.83 36.21 2kwq s LYS 777 CO 0.60 -0.33 0.96 -1.25 0.10 0.00 0.00 175.35 175.44 2kwq s PRO 778 N -2.12 3.94 0.65 1.78 0.04 -1.26 -4.95 135.00 133.08 2kwq s PRO 778 Ca -0.07 0.91 -0.12 0.00 0.04 0.00 0.00 61.00 61.76 2kwq s PRO 778 Cb -0.01 -2.16 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 2kwq s PRO 778 CO 0.01 -0.24 1.05 0.15 0.04 0.00 0.00 177.00 178.01 2kwq s LYS 779 N -4.01 3.21 0.42 4.56 1.02 -1.26 -4.89 119.74 118.78 2kwq s LYS 779 Ca 0.58 0.94 0.09 0.00 0.02 0.00 0.00 55.97 57.60 2kwq s LYS 779 Cb -0.10 -2.03 0.89 0.00 -0.52 0.00 0.00 37.83 36.07 2kwq s LYS 779 CO 0.31 -0.88 2.02 1.05 -0.92 0.00 0.00 175.35 176.92 2kwq h GLU 780 N -0.37 0.37 -0.40 1.68 4.11 -1.98 -0.28 114.58 117.70 2kwq h GLU 780 Ca -0.44 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 58.88 2kwq h GLU 780 Cb 1.20 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2kwq h GLU 780 CO 0.58 0.32 -0.01 1.79 0.07 0.00 0.00 179.01 181.77 2kwq h THR 781 N 0.37 1.26 -0.60 -1.06 1.35 -1.98 -0.25 112.91 112.00 2kwq h THR 781 Ca 0.09 -1.03 -0.05 0.00 -0.55 0.00 0.00 66.41 64.87 2kwq h THR 781 Cb 0.10 1.13 -0.03 0.00 -1.73 0.00 0.00 68.15 67.62 2kwq h THR 781 CO -0.01 0.35 0.18 0.00 -0.25 0.00 0.00 175.52 175.79 2kwq h VAL 783 N 0.85 1.27 -0.27 0.00 2.07 -1.06 -0.75 116.25 118.37 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 0.31 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2kwq h VAL 783 CO -0.00 0.47 -0.25 -1.28 0.02 0.00 0.00 177.57 176.52 2kwq h SER 784 N 0.74 0.68 0.48 0.57 0.87 -0.86 -3.00 113.55 113.03 2kwq h SER 784 Ca 0.09 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2kwq h SER 784 Cb 0.80 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 2kwq h SER 784 CO 0.07 1.01 0.00 -0.62 -0.53 0.00 0.00 176.83 176.76 2kwq n GLU 785 N -4.32 0.36 -3.54 2.24 -0.58 0.09 -4.94 120.64 109.95 2kwq n GLU 785 Ca -0.04 0.05 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 2kwq n GLU 785 Cb 0.44 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.87 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 -2.47 -4.71 1.62 3.02 -0.76 -5.00 115.26 105.67 2kwq n ASN 786 Ca 0.12 -0.74 -0.35 0.00 -0.03 0.00 0.00 54.58 53.58 2kwq n ASN 786 Cb 0.20 -4.58 0.10 0.00 -0.61 0.00 0.00 39.78 34.90 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 1.94 0.12 3.10 3.76 -0.36 -5.02 115.29 115.33 2kwq s HIS 787 Ca 0.09 1.60 -0.25 0.00 -0.15 0.00 0.00 55.06 56.35 2kwq s HIS 787 Cb -0.02 -3.55 -0.07 0.00 1.11 0.00 0.00 32.58 30.05 2kwq s HIS 787 CO 0.77 -2.83 0.75 0.34 -0.85 0.00 0.00 174.74 172.93 2kwq s ASP 788 N -1.88 7.31 0.02 1.40 2.15 -1.26 -4.93 116.67 119.47 2kwq s ASP 788 Ca 0.76 1.55 -0.12 0.00 0.43 0.00 0.00 52.55 55.18 2kwq s ASP 788 Cb -0.32 -2.48 0.01 0.00 -0.30 0.00 0.00 42.92 39.84 2kwq s ASP 788 CO 0.46 0.16 0.25 0.72 -0.17 0.00 0.00 175.17 176.58 2kwq s PHE 789 N -0.81 -0.05 0.04 -5.34 -0.12 -1.26 -0.56 117.98 109.87 2kwq s PHE 789 Ca 0.36 -0.05 0.08 0.00 -0.05 0.00 0.00 56.93 57.27 2kwq s PHE 789 Cb -0.22 0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.18 2kwq s PHE 789 CO 0.25 -0.42 -0.23 -1.01 -0.05 0.00 0.00 175.22 173.76 2kwq s HIS 790 N -2.09 2.43 0.03 3.49 3.76 -0.84 -4.97 115.29 117.10 2kwq s HIS 790 Ca -0.08 -0.34 0.01 0.00 -0.15 0.00 0.00 55.06 54.50 2kwq s HIS 790 Cb -0.03 -1.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.20 2kwq s HIS 790 CO -0.01 0.18 0.06 -1.58 -0.85 0.00 0.00 174.74 172.54 2kwq s TRP 791 N -0.85 3.19 0.33 1.40 0.52 -1.26 -1.05 118.94 121.22 2kwq s TRP 791 Ca 0.13 0.12 -0.04 0.00 0.02 0.00 0.00 56.10 56.34 2kwq s TRP 791 Cb -0.10 -1.67 0.00 0.00 -1.15 0.00 0.00 33.47 30.55 2kwq s TRP 791 CO 0.03 0.52 0.47 -1.01 0.02 0.00 0.00 176.95 176.98 2kwq s HIS 792 N -1.24 0.99 0.16 -1.98 3.76 0.03 -5.00 115.29 112.02 2kwq s HIS 792 Ca 0.24 -1.24 0.03 0.00 -0.15 0.00 0.00 55.06 53.94 2kwq s HIS 792 Cb -0.12 -0.06 -0.03 0.00 1.11 0.00 0.00 32.58 33.47 2kwq s HIS 792 CO 0.16 -1.11 0.29 -0.80 -0.85 0.00 0.00 174.74 172.42 2kwq s ASN 793 N -3.21 6.31 0.00 1.40 -0.87 -1.26 0.01 114.94 117.32 2kwq s ASN 793 Ca 0.30 0.15 0.00 0.00 -1.57 0.00 0.00 52.86 51.74 2kwq s ASN 793 Cb -0.00 -1.89 0.00 0.00 -0.02 0.00 0.00 41.25 39.34 2kwq s ASN 793 CO 0.19 0.04 0.00 0.61 -2.57 0.00 0.00 177.10 175.36 2kwq n GLY 794 N -0.65 2.45 3.38 0.66 0.00 -0.39 -4.78 105.19 105.86 2kwq n GLY 794 Ca -0.07 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.06 -0.01 0.07 1.61 0.11 -1.26 -0.96 120.40 117.90 2kwq s VAL 795 Ca 0.00 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 2kwq s VAL 795 Cb 0.00 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 2kwq s VAL 795 CO 0.00 0.01 0.21 -1.59 -3.33 0.00 0.00 175.10 170.40 2kwq s LYS 796 N 0.80 3.43 -0.03 1.54 -2.85 -1.26 -4.72 119.74 116.65 2kwq s LYS 796 Ca -0.04 -0.45 0.07 0.00 -1.00 0.00 0.00 55.97 54.54 2kwq s LYS 796 Cb -0.05 -3.03 -0.02 0.00 -2.06 0.00 0.00 37.83 32.67 2kwq s LYS 796 CO -0.06 0.60 -0.25 1.03 0.10 0.00 0.00 175.35 176.78 2kwq s ARG 797 N -2.55 2.23 -0.03 1.78 1.81 0.52 -4.41 118.95 118.30 2kwq s ARG 797 Ca 0.35 -0.89 0.01 0.00 -1.72 0.00 0.00 55.73 53.48 2kwq s ARG 797 Cb -0.13 -2.03 -0.03 0.00 -0.45 0.00 0.00 34.95 32.31 2kwq s ARG 797 CO 0.28 0.47 -0.02 -0.06 -0.68 0.00 0.00 175.30 175.28 2kwq s PHE 798 N -0.40 3.03 0.06 -0.53 0.08 -1.26 -1.58 117.98 117.38 2kwq s PHE 798 Ca 0.04 0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.18 2kwq s PHE 798 Cb -0.11 -1.69 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 2kwq s PHE 798 CO 0.01 0.42 -0.06 -0.06 -0.10 0.00 0.00 175.22 175.43 2kwq s PHE 799 N -0.97 0.65 0.01 0.36 0.08 -0.18 -0.85 117.98 117.08 2kwq s PHE 799 Ca 0.16 -0.73 0.03 0.00 0.12 0.00 0.00 56.93 56.51 2kwq s PHE 799 Cb -0.11 -0.40 -0.01 0.00 -0.57 0.00 0.00 43.02 41.92 2kwq s PHE 799 CO 0.06 -0.17 -0.09 0.21 -0.10 0.00 0.00 175.22 175.14 2kwq s LYS 800 N -2.67 0.65 0.08 0.44 2.20 -0.40 -2.16 119.74 117.88 2kwq s LYS 800 Ca -0.01 -0.44 0.01 0.00 -0.36 0.00 0.00 55.97 55.17 2kwq s LYS 800 Cb -0.02 -0.60 -0.04 0.00 -1.51 0.00 0.00 37.83 35.66 2kwq s LYS 800 CO -0.03 0.15 0.21 0.00 -0.36 0.00 0.00 175.35 175.33 2kwq h PRO 802 N 2.87 0.15 0.00 0.00 0.11 -1.89 -0.94 132.00 132.30 2kwq h PRO 802 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kwq h PRO 802 Cb 1.17 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2kwq h PRO 802 CO 0.73 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 178.62 2kwq n GLY 804 N 1.13 0.21 3.72 0.00 0.00 -0.36 -5.10 105.19 104.79 2kwq n GLY 804 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.06 4.11 0.18 1.61 2.47 -1.26 -4.76 114.94 115.23 2kwq s ASN 805 Ca 0.00 2.32 0.08 0.00 0.42 0.00 0.00 52.86 55.68 2kwq s ASN 805 Cb 0.00 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 37.17 2kwq s ASN 805 CO 0.00 -2.32 -0.17 -0.13 -3.72 0.00 0.00 177.10 170.77 2kwq s ARG 806 N -4.01 1.30 0.31 0.43 1.81 -1.26 -1.00 118.95 116.53 2kwq s ARG 806 Ca 0.73 -1.48 -0.14 0.00 -1.72 0.00 0.00 55.73 53.12 2kwq s ARG 806 Cb -0.28 -1.25 0.02 0.00 -0.45 0.00 0.00 34.95 32.99 2kwq s ARG 806 CO 0.47 0.24 0.62 -0.08 -0.68 0.00 0.00 175.30 175.86 2kwq s THR 807 N -2.40 0.00 0.01 0.02 -1.32 -0.92 -5.00 115.64 106.04 2kwq s THR 807 Ca 0.18 -1.23 0.00 0.00 -1.21 0.00 0.00 61.69 59.43 2kwq s THR 807 Cb -0.04 -2.41 -0.01 0.00 -1.51 0.00 0.00 72.50 68.53 2kwq s THR 807 CO 0.07 0.00 -0.02 -0.63 -2.21 0.00 0.00 174.62 171.83 2kwq s ILE 808 N -3.37 0.10 0.21 5.08 1.01 -1.26 -1.02 121.20 121.95 2kwq s ILE 808 Ca 0.19 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 60.15 2kwq s ILE 808 Cb -0.03 -0.19 -0.01 0.00 0.01 0.00 0.00 42.46 42.23 2kwq s ILE 808 CO 0.11 -0.32 0.34 -0.55 0.00 0.00 0.00 174.94 174.52 2kwq s SER 809 N -0.96 0.00 0.21 3.58 0.15 -0.62 -4.99 113.70 111.07 2kwq s SER 809 Ca -0.10 -1.00 0.24 0.00 0.70 0.00 0.00 55.95 55.78 2kwq s SER 809 Cb -0.07 0.49 0.25 0.00 -1.71 0.00 0.00 66.02 64.99 2kwq s SER 809 CO -0.01 -0.99 1.30 -0.07 1.20 0.00 0.00 173.24 174.67 2kwq h LEU 810 N 2.43 0.00-10.33 3.45 3.38 -1.86 0.15 115.31 112.53 2kwq h LEU 810 Ca -0.30 -0.09 -0.49 0.00 0.09 0.00 0.00 57.88 57.10 2kwq h LEU 810 Cb 1.24 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.03 2kwq h LEU 810 CO 0.43 0.04 0.11 -1.81 0.09 0.00 0.00 178.44 177.30 2kwq s ASP 811 N -4.97 6.10 0.20 -0.43 1.01 -1.26 -4.80 116.67 112.52 2kwq s ASP 811 Ca 0.04 0.84 0.17 0.00 0.71 0.00 0.00 52.55 54.31 2kwq s ASP 811 Cb 0.11 -2.09 0.81 0.00 1.01 0.00 0.00 42.92 42.76 2kwq s ASP 811 CO 0.73 -0.68 1.52 -2.11 0.21 0.00 0.00 175.17 174.83 2kwq n ARG 812 N -2.31 0.11 -3.68 8.23 1.85 -1.26 -4.58 116.66 115.02 2kwq n ARG 812 Ca 0.01 0.50 -0.13 0.00 -1.00 0.00 0.00 57.85 57.24 2kwq n ARG 812 Cb 0.56 -1.78 -0.09 0.00 -1.05 0.00 0.00 32.46 30.10 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 -4.00 -0.21 0.90 2.89 2.96 -1.26 -4.91 118.68 115.05 2kwq s LEU 813 Ca 0.01 1.14 -0.12 0.00 -0.22 0.00 0.00 54.13 54.94 2kwq s LEU 813 Cb 0.06 1.91 0.13 0.00 0.50 0.00 0.00 46.19 48.79 2kwq s LEU 813 CO 0.22 -0.20 1.10 -2.16 -1.32 0.00 0.00 176.35 173.99 2kwq s PRO 814 N 0.53 1.26 0.00 0.98 0.04 -1.26 -5.02 135.00 131.53 2kwq s PRO 814 Ca -0.02 0.70 0.06 0.00 0.04 0.00 0.00 61.00 61.78 2kwq s PRO 814 Cb -0.04 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2kwq s PRO 814 CO -0.02 -2.21 0.32 0.36 0.04 0.00 0.00 177.00 175.49 2kwq n LYS 815 N -3.84 4.21 -2.57 4.56 -0.00 -1.26 -5.04 118.16 114.22 2kwq n LYS 815 Ca 0.07 -0.15 -0.34 0.00 -0.00 0.00 0.00 58.31 57.89 2kwq n LYS 815 Cb 0.56 -0.83 -0.04 0.00 -0.00 0.00 0.00 35.03 34.72 2kwq n LYS 815 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2kwq s LYS 816 N -1.37 3.87 0.74 -1.58 -2.85 -1.26 -5.09 119.74 112.19 2kwq s LYS 816 Ca 0.03 1.30 -0.12 0.00 -1.00 0.00 0.00 55.97 56.18 2kwq s LYS 816 Cb 0.05 -2.11 0.03 0.00 -2.06 0.00 0.00 37.83 33.74 2kwq s LYS 816 CO 0.21 -0.37 1.12 -1.01 0.10 0.00 0.00 175.35 175.40 2kwq s HIS 817 N -2.06 3.19 0.27 1.78 3.76 -1.26 -4.93 115.29 116.04 2kwq s HIS 817 Ca 0.66 0.99 -0.30 0.00 -0.15 0.00 0.00 55.06 56.26 2kwq s HIS 817 Cb -0.15 -3.17 -0.11 0.00 1.11 0.00 0.00 32.58 30.26 2kwq s HIS 817 CO 0.20 -1.37 1.57 0.00 -0.85 0.00 0.00 174.74 174.28 2kwq h SER 819 N 5.18 0.00 0.00 0.00 0.02 -1.94 -2.85 113.55 113.96 2kwq h SER 819 Ca -0.46 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.22 2kwq h SER 819 Cb 1.22 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.71 2kwq h SER 819 CO 0.81 0.00 -2.00 0.41 -1.14 0.00 0.00 176.83 174.91 2kwq n THR 820 N -2.41 1.01 0.00 -2.27 -1.04 -1.26 -4.84 114.28 103.47 2kwq n THR 820 Ca 0.03 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 2kwq n THR 820 Cb 0.33 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 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 0.76 0.87 2.87 0.00 0.00 -1.07 -5.01 105.19 103.61 2kwq n GLY 822 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.76 0.99 -0.00 -1.26 -4.46 117.00 108.51 2kwq n LEU 823 Ca 0.00 -1.24 -0.30 0.00 -0.00 0.00 0.00 56.01 54.47 2kwq n LEU 823 Cb 0.00 -0.66 -0.14 0.00 -0.00 0.00 0.00 43.42 42.61 2kwq n LEU 823 CO 0.00 -1.09 -0.31 0.12 -0.00 0.00 0.00 177.39 176.11 2kwq s PHE 824 N -2.85 2.00 0.00 1.47 5.36 -1.26 -1.55 117.98 121.15 2kwq s PHE 824 Ca 0.54 -2.06 0.15 0.00 -0.96 0.00 0.00 56.93 54.59 2kwq s PHE 824 Cb -0.02 -1.89 0.25 0.00 -0.34 0.00 0.00 43.02 41.02 2kwq s PHE 824 CO 0.37 -0.86 1.07 1.63 -1.46 0.00 0.00 175.22 175.97 2kwq n LYS 825 N 4.43 0.00 -1.67 10.12 4.76 -1.26 -5.12 118.16 129.42 2kwq n LYS 825 Ca 0.02 -1.52 -0.45 0.00 -2.87 0.00 0.00 58.31 53.49 2kwq n LYS 825 Cb 0.40 -0.04 -0.03 0.00 -1.84 0.00 0.00 35.03 33.52 2kwq n LYS 825 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 2kwq n TRP 826 N 0.29 2.22 -4.81 2.13 7.02 -1.26 -4.55 117.44 118.48 2kwq n TRP 826 Ca -0.01 0.39 -0.33 0.00 -1.02 0.00 0.00 57.50 56.53 2kwq n TRP 826 Cb 0.95 -2.49 -0.14 0.00 -2.42 0.00 0.00 31.31 27.21 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 -0.08 3.18 0.10 -0.99 2.12 -0.10 -4.94 118.70 117.99 2kwq s GLU 827 Ca 0.71 -0.69 -0.31 0.00 0.36 0.00 0.00 54.97 55.04 2kwq s GLU 827 Cb -0.65 -2.57 -0.08 0.00 0.26 0.00 0.00 34.13 31.08 2kwq s GLU 827 CO 0.47 0.31 1.55 0.50 -0.54 0.00 0.00 175.26 177.55 2kwq s ARG 828 N 0.10 4.23 0.36 4.30 6.06 -1.26 -1.28 118.95 131.46 2kwq s ARG 828 Ca -0.06 2.26 0.04 0.00 -2.50 0.00 0.00 55.73 55.46 2kwq s ARG 828 Cb -0.15 -3.39 -0.03 0.00 0.06 0.00 0.00 34.95 31.43 2kwq s ARG 828 CO 0.05 -0.63 0.13 0.14 -2.50 0.00 0.00 175.30 172.49 2kwq s VAL 829 N 1.88 0.61 0.27 7.11 -7.23 -0.03 -4.93 120.40 118.08 2kwq s VAL 829 Ca 0.70 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.94 2kwq s VAL 829 Cb -0.40 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 2kwq s VAL 829 CO 0.31 0.00 0.19 -0.83 -0.31 0.00 0.00 175.10 174.46 2kwq s GLY 830 N -3.52 1.51 0.12 2.32 0.00 -1.26 -3.99 107.32 102.50 2kwq s GLY 830 Ca 0.29 -1.49 -0.24 0.00 0.00 0.00 0.00 44.72 43.28 2kwq s GLY 830 CO 0.16 -1.51 0.62 -0.29 0.00 0.00 0.00 173.10 172.07 2kwq s MET 831 N -3.85 1.24 0.30 2.90 0.00 -0.77 -5.00 119.30 114.12 2kwq s MET 831 Ca 0.34 -0.34 -0.16 0.00 0.00 0.00 0.00 55.69 55.53 2kwq s MET 831 Cb -0.07 0.57 0.06 0.00 0.00 0.00 0.00 34.83 35.39 2kwq s MET 831 CO 0.25 -0.52 0.80 -0.11 0.00 0.00 0.00 175.02 175.44 2kwq n LEU 832 N -0.15 0.00 0.12 4.11 -0.00 -1.26 -3.16 117.00 116.65 2kwq n LEU 832 Ca -0.17 -2.04 0.11 0.00 -0.00 0.00 0.00 56.01 53.90 2kwq n LEU 832 Cb 0.64 3.23 0.47 0.00 -0.00 0.00 0.00 43.42 47.75 2kwq n LEU 832 CO 0.14 -0.68 0.82 2.29 -0.00 0.00 0.00 177.39 179.96 2kwq n LYS 833 N -0.55 0.16 -3.78 1.96 2.85 -1.26 -4.66 118.16 112.87 2kwq n LYS 833 Ca -0.06 0.44 -0.13 0.00 -1.05 0.00 0.00 58.31 57.52 2kwq n LYS 833 Cb 0.54 -1.83 -0.12 0.00 -0.65 0.00 0.00 35.03 32.98 2kwq n LYS 833 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2kwq s GLU 834 N -3.31 0.29 0.24 -1.58 2.02 -1.26 -5.16 118.70 109.94 2kwq s GLU 834 Ca 0.03 0.37 -0.30 0.00 0.02 0.00 0.00 54.97 55.09 2kwq s GLU 834 Cb 0.08 0.13 -0.09 0.00 0.10 0.00 0.00 34.13 34.36 2kwq s GLU 834 CO 0.33 -0.04 0.95 -1.59 0.02 0.00 0.00 175.26 174.93 2kwq s LYS 835 N 0.20 4.84 0.23 1.61 -2.85 -1.26 -5.07 119.74 117.43 2kwq s LYS 835 Ca -0.00 1.52 -0.12 0.00 -1.00 0.00 0.00 55.97 56.36 2kwq s LYS 835 Cb -0.02 -3.27 -0.00 0.00 -2.06 0.00 0.00 37.83 32.47 2kwq s LYS 835 CO -0.00 0.49 0.44 0.95 0.10 0.00 0.00 175.35 177.32 2kwq s THR 836 N -1.17 0.01 0.09 3.79 -4.23 -1.26 -5.15 115.64 107.72 2kwq s THR 836 Ca 0.41 -1.40 -0.31 0.00 -1.18 0.00 0.00 61.69 59.22 2kwq s THR 836 Cb -0.27 -2.13 -0.07 0.00 1.34 0.00 0.00 72.50 71.38 2kwq s THR 836 CO 0.33 -0.04 1.26 -0.83 -0.54 0.00 0.00 174.62 174.79 2kwq s GLY 837 N -3.01 2.31 0.49 3.99 0.00 -1.26 -5.01 107.32 104.84 2kwq s GLY 837 Ca 0.22 0.94 -0.23 0.00 0.00 0.00 0.00 44.72 45.66 2kwq s GLY 837 CO 0.07 2.11 1.16 -1.05 0.00 0.00 0.00 173.10 175.39 2kwq n PRO 838 N 3.74 1.50 0.24 2.90 -0.02 -1.26 -4.93 135.00 137.18 2kwq n PRO 838 Ca 0.09 0.55 0.13 0.00 -2.02 0.00 0.00 63.50 62.25 2kwq n PRO 838 Cb 0.45 -2.30 0.49 0.00 -0.02 0.00 0.00 33.50 32.12 2kwq n PRO 838 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2kwq h LYS 839 N 1.43 0.00 -6.73 -0.52 1.63 -1.98 -3.44 116.57 106.96 2kwq h LYS 839 Ca -0.48 0.00 -0.52 0.00 -0.85 0.00 0.00 60.65 58.80 2kwq h LYS 839 Cb 1.32 0.00 0.05 0.00 -0.60 0.00 0.00 32.23 33.00 2kwq h LYS 839 CO 0.56 0.10 0.70 -1.17 -3.45 0.00 0.00 179.45 176.19 2kwq s LEU 840 N -6.41 4.41 0.00 5.20 2.96 -1.26 -4.82 118.68 118.76 2kwq s LEU 840 Ca 0.02 2.54 0.00 0.00 -0.22 0.00 0.00 54.13 56.47 2kwq s LEU 840 Cb 0.09 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.16 2kwq s LEU 840 CO 0.61 -0.60 0.00 0.61 -1.32 0.00 0.00 176.35 175.64 2kwq n GLY 841 N 2.14 -1.69 0.00 7.98 0.00 -1.26 -5.20 105.19 107.16 2kwq n GLY 841 Ca 0.06 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2kwq n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93