#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwq s PRO -3 N 0.00 3.74 -0.00 1.61 0.04 -1.26 -5.00 135.00 134.13 2kwq s PRO -3 Ca 0.00 1.51 0.17 0.00 0.04 0.00 0.00 61.00 62.72 2kwq s PRO -3 Cb 0.00 -2.19 -0.20 0.00 0.04 0.00 0.00 34.50 32.15 2kwq s PRO -3 CO 0.00 -0.51 0.64 -0.12 0.04 0.00 0.00 177.00 177.05 2kwq n MET -2 N -0.84 1.32 0.18 4.56 1.56 -1.26 -4.65 117.12 117.99 2kwq n MET -2 Ca 0.09 -0.03 0.13 0.00 -0.27 0.00 0.00 57.70 57.62 2kwq n MET -2 Cb 0.51 -1.31 0.61 0.00 2.15 0.00 0.00 33.22 35.18 2kwq n MET -2 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 2kwq h GLY -1 N 3.76 0.00 2.00 -5.12 0.00 -1.94 -1.41 103.07 100.36 2kwq h GLY -1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kwq h GLY -1 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.57 2kwq n MET 755 N -2.46 0.02 0.00 4.80 2.81 -1.26 -4.93 117.12 116.10 2kwq n MET 755 Ca 0.01 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 2kwq n MET 755 Cb 0.18 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 2kwq n MET 755 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2kwq n GLN 756 N -1.58 0.00 -2.44 0.03 6.02 -0.53 -5.02 117.38 113.86 2kwq n GLN 756 Ca 0.04 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.66 2kwq n GLN 756 Cb 0.21 -0.35 -0.03 0.00 1.02 0.00 0.00 30.24 31.10 2kwq n GLN 756 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2kwq s SER 757 N -0.33 6.64 0.02 1.08 0.01 -1.26 -5.08 113.70 114.77 2kwq s SER 757 Ca 0.00 2.16 0.06 0.00 1.31 0.00 0.00 55.95 59.48 2kwq s SER 757 Cb 0.00 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 2kwq s SER 757 CO 0.00 -0.58 -0.18 -0.63 0.41 0.00 0.00 173.24 172.26 2kwq s ILE 758 N -1.56 1.44 -0.08 1.44 1.09 -1.26 -4.88 121.20 117.39 2kwq s ILE 758 Ca 0.58 -0.97 0.00 0.00 -1.10 0.00 0.00 60.65 59.16 2kwq s ILE 758 Cb -0.25 -1.24 0.00 0.00 -1.06 0.00 0.00 42.46 39.91 2kwq s ILE 758 CO 0.32 0.25 0.83 -2.11 -0.10 0.00 0.00 174.94 174.12 2kwq n ARG 759 N 2.19 0.86 -3.51 2.79 1.85 -1.26 -4.72 116.66 114.86 2kwq n ARG 759 Ca -0.16 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.53 2kwq n ARG 759 Cb 0.54 -1.10 -0.05 0.00 -1.05 0.00 0.00 32.46 30.80 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 0.05 1.10 -0.02 2.89 -1.05 -1.26 -4.00 118.70 116.40 2kwq s GLU 760 Ca 0.00 -0.04 -0.08 0.00 -0.15 0.00 0.00 54.97 54.70 2kwq s GLU 760 Cb 0.00 0.51 0.01 0.00 -0.44 0.00 0.00 34.13 34.21 2kwq s GLU 760 CO 0.00 -0.39 0.18 1.14 0.95 0.00 0.00 175.26 177.13 2kwq s GLN 761 N -2.10 0.43 0.49 -4.83 -2.07 -1.22 -4.99 119.66 105.37 2kwq s GLN 761 Ca -0.07 -0.17 -0.20 0.00 -1.82 0.00 0.00 55.36 53.10 2kwq s GLN 761 Cb -0.01 0.18 -0.08 0.00 -1.09 0.00 0.00 33.01 32.02 2kwq s GLN 761 CO 0.02 -0.10 1.05 -1.12 -1.32 0.00 0.00 175.29 173.82 2kwq s SER 762 N -0.92 6.29 0.28 12.60 0.01 -1.26 -1.99 113.70 128.70 2kwq s SER 762 Ca -0.10 1.96 -0.16 0.00 1.31 0.00 0.00 55.95 58.96 2kwq s SER 762 Cb -0.05 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.62 2kwq s SER 762 CO 0.01 -0.82 0.61 0.00 0.41 0.00 0.00 173.24 173.46 2kwq s ARG 764 N -3.82 4.46 0.18 0.00 3.52 -1.26 -1.52 118.95 120.51 2kwq s ARG 764 Ca 0.17 1.06 -0.00 0.00 -0.13 0.00 0.00 55.73 56.82 2kwq s ARG 764 Cb -0.03 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 2kwq s ARG 764 CO 0.09 0.52 0.09 0.14 -0.81 0.00 0.00 175.30 175.32 2kwq s VAL 765 N -1.26 0.19 -0.08 7.11 -7.23 0.87 -4.71 120.40 115.29 2kwq s VAL 765 Ca 0.38 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.54 2kwq s VAL 765 Cb -0.21 -2.32 0.04 0.00 0.56 0.00 0.00 36.38 34.45 2kwq s VAL 765 CO 0.24 -0.21 0.18 0.54 -0.31 0.00 0.00 175.10 175.54 2kwq s VAL 766 N -4.00 -0.07 -0.33 1.32 0.11 0.73 -1.17 120.40 116.99 2kwq s VAL 766 Ca 0.32 0.19 -0.15 0.00 -2.93 0.00 0.00 61.98 59.41 2kwq s VAL 766 Cb 0.07 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.61 2kwq s VAL 766 CO 0.08 0.08 0.36 -0.89 -3.33 0.00 0.00 175.10 171.39 2kwq s THR 767 N 1.32 5.17 -0.23 5.04 2.01 -0.14 -1.17 115.64 127.63 2kwq s THR 767 Ca -0.08 0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.77 2kwq s THR 767 Cb -0.11 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 2kwq s THR 767 CO -0.07 -0.04 1.33 0.00 -0.69 0.00 0.00 174.62 175.15 2kwq h LYS 769 N 9.04 0.00 0.16 0.00 1.79 -1.24 -1.06 116.57 125.25 2kwq h LYS 769 Ca -0.27 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 57.94 2kwq h LYS 769 Cb 1.11 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.79 2kwq h LYS 769 CO 1.00 0.24 -1.09 1.15 -1.08 0.00 0.00 179.45 179.67 2kwq h THR 770 N 0.00 1.38 0.00 -0.16 2.02 -1.92 -3.38 112.91 110.86 2kwq h THR 770 Ca -0.00 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.66 2kwq h THR 770 Cb 0.84 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 70.23 2kwq h THR 770 CO 0.03 0.74 -1.59 0.00 0.37 0.00 0.00 175.52 175.07 2kwq n LYS 772 N -1.96 -3.83 -4.21 0.00 4.01 -0.41 -5.08 118.16 106.70 2kwq n LYS 772 Ca -0.01 0.48 -0.12 0.00 -0.51 0.00 0.00 58.31 58.15 2kwq n LYS 772 Cb 0.45 -4.42 -0.10 0.00 -0.51 0.00 0.00 35.03 30.45 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 1.06 -0.16 2.13 -0.85 -1.22 -5.02 117.35 110.08 2kwq s TYR 773 Ca 0.02 -0.97 0.00 0.00 -0.52 0.00 0.00 57.07 55.60 2kwq s TYR 773 Cb -0.01 -0.60 0.00 0.00 0.38 0.00 0.00 41.96 41.73 2kwq s TYR 773 CO 0.42 -0.18 -0.15 0.99 -1.52 0.00 0.00 175.55 175.11 2kwq s THR 774 N -3.64 2.65 0.44 -3.49 2.01 -1.26 -1.43 115.64 110.91 2kwq s THR 774 Ca 0.18 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.44 2kwq s THR 774 Cb 0.06 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 2kwq s THR 774 CO -0.00 0.51 0.09 -1.00 -0.69 0.00 0.00 174.62 173.52 2kwq s HIS 775 N 0.92 1.84 0.17 4.92 3.76 -0.32 -4.81 115.29 121.76 2kwq s HIS 775 Ca -0.03 -1.16 -0.06 0.00 -0.15 0.00 0.00 55.06 53.66 2kwq s HIS 775 Cb -0.15 -1.31 0.04 0.00 1.11 0.00 0.00 32.58 32.26 2kwq s HIS 775 CO -0.02 -0.11 1.47 0.74 -0.85 0.00 0.00 174.74 175.97 2kwq h PHE 776 N 1.67 0.85 -3.86 1.40 0.04 -1.84 0.21 116.94 115.41 2kwq h PHE 776 Ca -0.38 -0.30 -0.13 0.00 2.80 0.00 0.00 57.97 59.95 2kwq h PHE 776 Cb 1.28 -0.16 -0.18 0.00 2.20 0.00 0.00 35.95 39.09 2kwq h PHE 776 CO 1.45 1.07 -0.57 0.15 -0.60 0.00 0.00 178.31 179.81 2kwq s LYS 777 N -4.05 0.53 0.52 1.51 1.02 -1.26 -4.17 119.74 113.84 2kwq s LYS 777 Ca -0.09 -0.75 -0.18 0.00 0.02 0.00 0.00 55.97 54.97 2kwq s LYS 777 Cb 0.11 0.20 -0.07 0.00 -0.52 0.00 0.00 37.83 37.55 2kwq s LYS 777 CO 0.86 -0.12 1.02 -1.25 -0.92 0.00 0.00 175.35 174.94 2kwq s PRO 778 N -2.44 3.72 0.67 -1.68 0.04 -1.26 -4.95 135.00 129.09 2kwq s PRO 778 Ca -0.06 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.07 2kwq s PRO 778 Cb -0.02 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 2kwq s PRO 778 CO -0.04 -0.48 1.05 0.15 0.04 0.00 0.00 177.00 177.72 2kwq s LYS 779 N -3.66 3.20 0.31 4.56 1.02 -1.26 -4.87 119.74 119.03 2kwq s LYS 779 Ca 0.64 0.88 -0.01 0.00 0.02 0.00 0.00 55.97 57.50 2kwq s LYS 779 Cb -0.14 -2.02 0.49 0.00 -0.52 0.00 0.00 37.83 35.64 2kwq s LYS 779 CO 0.27 -0.89 1.96 0.93 -0.92 0.00 0.00 175.35 176.70 2kwq h GLU 780 N -0.56 1.03 -0.49 1.68 3.07 -1.99 0.02 114.58 117.34 2kwq h GLU 780 Ca -0.44 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.36 58.25 2kwq h GLU 780 Cb 1.20 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.87 2kwq h GLU 780 CO 0.59 0.68 -0.12 1.79 -1.40 0.00 0.00 179.01 180.55 2kwq h THR 781 N 1.06 1.27 -0.53 1.13 1.35 -1.98 -0.61 112.91 114.60 2kwq h THR 781 Ca 0.31 -1.26 -0.05 0.00 -0.55 0.00 0.00 66.41 64.87 2kwq h THR 781 Cb -0.05 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 67.41 2kwq h THR 781 CO -0.08 0.44 0.14 0.00 -0.25 0.00 0.00 175.52 175.77 2kwq h VAL 783 N 0.74 1.26 -0.50 0.00 2.07 -1.02 -0.94 116.25 117.87 2kwq h VAL 783 Ca 0.17 -0.98 -0.12 0.00 0.82 0.00 0.00 66.70 66.58 2kwq h VAL 783 Cb 0.32 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2kwq h VAL 783 CO -0.00 0.33 -0.17 -1.28 0.02 0.00 0.00 177.57 176.47 2kwq h SER 784 N 0.49 1.00 0.56 0.57 0.87 -0.90 -2.82 113.55 113.32 2kwq h SER 784 Ca 0.11 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2kwq h SER 784 Cb 0.46 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2kwq h SER 784 CO 0.02 1.14 -0.01 -0.62 -0.53 0.00 0.00 176.83 176.83 2kwq n GLU 785 N -4.12 0.44 -3.25 2.24 -0.58 0.09 -4.95 120.64 110.51 2kwq n GLU 785 Ca 0.01 -0.02 -0.16 0.00 -0.42 0.00 0.00 57.16 56.57 2kwq n GLU 785 Cb 0.43 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.86 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 -1.27 -4.47 -4.73 1.62 3.02 -0.82 -5.01 115.26 103.61 2kwq n ASN 786 Ca 0.14 -0.41 -0.37 0.00 -0.03 0.00 0.00 54.58 53.91 2kwq n ASN 786 Cb 0.25 -3.85 0.08 0.00 -0.61 0.00 0.00 39.78 35.64 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 -3.24 2.04 0.16 3.10 3.76 -0.42 -5.03 115.29 115.65 2kwq s HIS 787 Ca 0.33 1.50 -0.20 0.00 -0.15 0.00 0.00 55.06 56.54 2kwq s HIS 787 Cb -0.15 -3.68 -0.08 0.00 1.11 0.00 0.00 32.58 29.79 2kwq s HIS 787 CO 0.54 -2.94 0.67 -0.51 -0.85 0.00 0.00 174.74 171.64 2kwq s ASP 788 N -1.47 7.10 0.03 1.40 1.01 -1.26 -4.90 116.67 118.57 2kwq s ASP 788 Ca 0.82 1.37 -0.02 0.00 0.71 0.00 0.00 52.55 55.43 2kwq s ASP 788 Cb -0.37 -2.40 -0.02 0.00 1.01 0.00 0.00 42.92 41.14 2kwq s ASP 788 CO 0.41 0.15 0.02 -0.36 0.21 0.00 0.00 175.17 175.60 2kwq s PHE 789 N -1.32 0.26 -0.19 4.23 0.08 -1.26 -0.73 117.98 119.06 2kwq s PHE 789 Ca 0.37 -0.56 -0.04 0.00 0.12 0.00 0.00 56.93 56.82 2kwq s PHE 789 Cb -0.19 -0.19 -0.02 0.00 -0.57 0.00 0.00 43.02 42.05 2kwq s PHE 789 CO 0.21 -0.27 -0.04 -1.01 -0.10 0.00 0.00 175.22 174.00 2kwq s HIS 790 N -2.13 2.97 0.20 0.36 3.76 -0.24 -4.94 115.29 115.28 2kwq s HIS 790 Ca -0.09 -0.63 -0.11 0.00 -0.15 0.00 0.00 55.06 54.07 2kwq s HIS 790 Cb -0.05 -2.03 -0.07 0.00 1.11 0.00 0.00 32.58 31.54 2kwq s HIS 790 CO -0.03 -0.31 0.55 -1.58 -0.85 0.00 0.00 174.74 172.52 2kwq s TRP 791 N 0.95 3.48 0.02 1.40 0.52 -1.26 -0.97 118.94 123.09 2kwq s TRP 791 Ca -0.00 0.94 -0.02 0.00 0.02 0.00 0.00 56.10 57.04 2kwq s TRP 791 Cb -0.15 -2.30 0.01 0.00 -1.15 0.00 0.00 33.47 29.89 2kwq s TRP 791 CO 0.01 0.32 0.10 -2.39 0.02 0.00 0.00 176.95 175.01 2kwq n HIS 792 N 0.19 -0.77 -4.17 -1.98 1.44 -0.32 -4.99 115.22 104.62 2kwq n HIS 792 Ca -0.02 -0.14 -0.27 0.00 -2.01 0.00 0.00 57.72 55.29 2kwq n HIS 792 Cb 0.52 0.07 -0.07 0.00 0.12 0.00 0.00 29.99 30.63 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 -1.23 4.93 0.00 4.39 -0.87 -1.26 -0.09 114.94 120.80 2kwq s ASN 793 Ca 0.02 -0.32 0.00 0.00 -1.57 0.00 0.00 52.86 50.99 2kwq s ASN 793 Cb -0.00 -1.11 0.00 0.00 -0.02 0.00 0.00 41.25 40.12 2kwq s ASN 793 CO 0.01 0.10 0.00 0.61 -2.57 0.00 0.00 177.10 175.24 2kwq n GLY 794 N -0.06 2.24 2.96 0.66 0.00 -0.58 -4.83 105.19 105.58 2kwq n GLY 794 Ca -0.10 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.90 0.73 0.08 1.61 1.01 -1.26 -1.32 120.40 118.35 2kwq s VAL 795 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.72 2kwq s VAL 795 Cb 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2kwq s VAL 795 CO 0.00 0.25 0.16 -1.59 0.00 0.00 0.00 175.10 173.92 2kwq s LYS 796 N 0.60 3.19 -0.04 2.72 -2.85 -0.84 -4.47 119.74 118.04 2kwq s LYS 796 Ca -0.09 -0.58 -0.03 0.00 -1.00 0.00 0.00 55.97 54.27 2kwq s LYS 796 Cb -0.13 -2.89 0.01 0.00 -2.06 0.00 0.00 37.83 32.77 2kwq s LYS 796 CO 0.01 0.58 0.09 1.03 0.10 0.00 0.00 175.35 177.16 2kwq s ARG 797 N -2.56 0.10 -0.12 1.78 0.52 0.63 -3.41 118.95 115.90 2kwq s ARG 797 Ca 0.32 0.14 -0.01 0.00 -0.52 0.00 0.00 55.73 55.67 2kwq s ARG 797 Cb -0.12 0.03 -0.02 0.00 0.52 0.00 0.00 34.95 35.36 2kwq s ARG 797 CO 0.25 -0.02 -0.10 -0.06 0.02 0.00 0.00 175.30 175.39 2kwq s PHE 798 N 0.13 2.87 0.09 -0.53 0.08 -1.26 -1.03 117.98 118.33 2kwq s PHE 798 Ca -0.01 -0.42 0.04 0.00 0.12 0.00 0.00 56.93 56.67 2kwq s PHE 798 Cb -0.01 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 2kwq s PHE 798 CO -0.00 -0.05 -0.12 -0.06 -0.10 0.00 0.00 175.22 174.89 2kwq s PHE 799 N 0.09 1.12 0.02 0.36 0.40 -0.40 -0.82 117.98 118.75 2kwq s PHE 799 Ca -0.04 -0.56 0.02 0.00 -0.60 0.00 0.00 56.93 55.75 2kwq s PHE 799 Cb -0.14 -0.62 -0.01 0.00 0.51 0.00 0.00 43.02 42.75 2kwq s PHE 799 CO 0.04 0.03 -0.06 0.21 0.70 0.00 0.00 175.22 176.14 2kwq s LYS 800 N -2.31 0.43 0.06 0.44 2.20 -0.30 -1.43 119.74 118.83 2kwq s LYS 800 Ca 0.02 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.17 2kwq s LYS 800 Cb -0.06 -0.28 -0.04 0.00 -1.51 0.00 0.00 37.83 35.93 2kwq s LYS 800 CO 0.01 0.06 0.09 0.00 -0.36 0.00 0.00 175.35 175.16 2kwq h PRO 802 N 3.46 0.00 0.00 0.00 0.13 -1.87 -0.90 132.00 132.81 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 0.66 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 2kwq n GLY 804 N 0.71 0.39 3.78 0.00 0.00 -0.34 -5.11 105.19 104.61 2kwq n GLY 804 Ca 0.05 0.00 -0.35 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 -2.10 5.86 0.13 1.61 2.47 -1.25 -4.83 114.94 116.83 2kwq s ASN 805 Ca 0.00 2.13 0.02 0.00 0.42 0.00 0.00 52.86 55.44 2kwq s ASN 805 Cb 0.00 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 37.18 2kwq s ASN 805 CO 0.00 -1.12 -0.06 -0.13 -3.72 0.00 0.00 177.10 172.07 2kwq s ARG 806 N -3.25 0.95 0.32 0.43 0.52 -1.26 -0.67 118.95 115.99 2kwq s ARG 806 Ca 0.71 -1.41 -0.14 0.00 -0.52 0.00 0.00 55.73 54.37 2kwq s ARG 806 Cb -0.23 -0.33 0.02 0.00 0.52 0.00 0.00 34.95 34.93 2kwq s ARG 806 CO 0.26 -0.02 0.64 -0.08 0.02 0.00 0.00 175.30 176.12 2kwq s THR 807 N -3.55 0.00 0.01 0.02 -1.32 -0.51 -4.99 115.64 105.29 2kwq s THR 807 Ca 0.16 -1.20 0.02 0.00 -1.21 0.00 0.00 61.69 59.46 2kwq s THR 807 Cb 0.05 -2.45 -0.01 0.00 -1.51 0.00 0.00 72.50 68.58 2kwq s THR 807 CO -0.01 0.00 -0.08 -0.63 -2.21 0.00 0.00 174.62 171.69 2kwq s ILE 808 N -3.27 0.61 0.15 5.08 1.01 -1.26 -1.27 121.20 122.25 2kwq s ILE 808 Ca 0.19 -0.53 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 2kwq s ILE 808 Cb -0.03 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 2kwq s ILE 808 CO 0.11 0.04 0.08 -0.55 0.00 0.00 0.00 174.94 174.62 2kwq s SER 809 N -0.54 0.25 0.21 3.58 0.15 -0.19 -4.97 113.70 112.18 2kwq s SER 809 Ca 0.00 -1.26 0.23 0.00 0.70 0.00 0.00 55.95 55.62 2kwq s SER 809 Cb -0.05 0.33 0.16 0.00 -1.71 0.00 0.00 66.02 64.75 2kwq s SER 809 CO 0.00 -0.77 1.22 -0.07 1.20 0.00 0.00 173.24 174.82 2kwq h LEU 810 N 2.78 0.00-10.44 3.45 3.38 -1.85 0.18 115.31 112.81 2kwq h LEU 810 Ca -0.35 -0.07 -0.46 0.00 0.09 0.00 0.00 57.88 57.09 2kwq h LEU 810 Cb 1.22 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.02 2kwq h LEU 810 CO 0.57 0.03 0.08 -1.81 0.09 0.00 0.00 178.44 177.40 2kwq s ASP 811 N -5.10 5.51 0.04 -0.43 1.01 -1.26 -4.81 116.67 111.63 2kwq s ASP 811 Ca 0.03 0.46 0.10 0.00 0.71 0.00 0.00 52.55 53.85 2kwq s ASP 811 Cb 0.10 -1.46 0.45 0.00 1.01 0.00 0.00 42.92 43.02 2kwq s ASP 811 CO 0.75 -1.05 1.32 -2.11 0.21 0.00 0.00 175.17 174.29 2kwq n ARG 812 N -2.46 0.03 -3.64 8.23 1.85 -1.26 -4.67 116.66 114.74 2kwq n ARG 812 Ca 0.05 0.39 -0.10 0.00 -1.00 0.00 0.00 57.85 57.18 2kwq n ARG 812 Cb 0.58 -1.56 -0.07 0.00 -1.05 0.00 0.00 32.46 30.36 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 -3.22 -0.60 0.64 2.89 2.96 -1.26 -4.93 118.68 115.17 2kwq s LEU 813 Ca 0.03 1.12 -0.14 0.00 -0.22 0.00 0.00 54.13 54.92 2kwq s LEU 813 Cb 0.06 2.11 -0.01 0.00 0.50 0.00 0.00 46.19 48.84 2kwq s LEU 813 CO 0.17 -0.19 1.07 -2.16 -1.32 0.00 0.00 176.35 173.92 2kwq s PRO 814 N 0.54 3.04 0.08 0.98 0.04 -1.26 -5.00 135.00 133.41 2kwq s PRO 814 Ca -0.00 1.18 0.15 0.00 0.04 0.00 0.00 61.00 62.36 2kwq s PRO 814 Cb -0.05 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 2kwq s PRO 814 CO -0.06 -1.03 0.92 1.57 0.04 0.00 0.00 177.00 178.44 2kwq h LYS 815 N -0.04 0.00 -7.11 4.56 2.10 -2.00 -3.49 116.57 110.58 2kwq h LYS 815 Ca -0.46 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 57.73 2kwq h LYS 815 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2kwq h LYS 815 CO 0.56 0.43 0.33 -1.59 -2.00 0.00 0.00 179.45 177.19 2kwq s LYS 816 N -2.84 4.01 0.75 0.07 -2.85 -1.26 -5.08 119.74 112.54 2kwq s LYS 816 Ca -0.02 0.95 -0.11 0.00 -1.00 0.00 0.00 55.97 55.79 2kwq s LYS 816 Cb 0.08 -2.18 0.04 0.00 -2.06 0.00 0.00 37.83 33.71 2kwq s LYS 816 CO 0.81 -0.17 1.08 -1.01 0.10 0.00 0.00 175.35 176.15 2kwq s HIS 817 N -2.47 2.97 0.26 1.78 3.76 -1.26 -4.92 115.29 115.41 2kwq s HIS 817 Ca 0.59 1.29 -0.30 0.00 -0.15 0.00 0.00 55.06 56.49 2kwq s HIS 817 Cb -0.10 -3.00 -0.10 0.00 1.11 0.00 0.00 32.58 30.49 2kwq s HIS 817 CO 0.26 -1.51 1.44 0.00 -0.85 0.00 0.00 174.74 174.09 2kwq n SER 819 N 2.17 0.60 -0.11 0.00 7.64 -1.26 -2.46 113.62 120.20 2kwq n SER 819 Ca 0.06 0.60 -0.17 0.00 1.01 0.00 0.00 58.87 60.37 2kwq n SER 819 Cb 0.40 -0.75 -0.10 0.00 -1.01 0.00 0.00 64.21 62.76 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 -2.11 1.24 0.00 0.44 -1.04 -1.26 -4.82 114.28 106.72 2kwq n THR 820 Ca 0.04 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 2kwq n THR 820 Cb 0.31 -1.38 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 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 1.39 1.00 1.33 0.00 0.00 -1.03 -5.02 105.19 102.86 2kwq n GLY 822 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.91 0.99 -0.00 -1.26 -4.52 117.00 108.30 2kwq n LEU 823 Ca 0.00 -0.69 -0.30 0.00 -0.00 0.00 0.00 56.01 55.02 2kwq n LEU 823 Cb 0.00 -0.24 -0.15 0.00 -0.00 0.00 0.00 43.42 43.03 2kwq n LEU 823 CO 0.00 -0.69 -0.36 0.12 -0.00 0.00 0.00 177.39 176.46 2kwq s PHE 824 N -1.08 2.71 -0.03 1.47 5.36 -1.26 -1.15 117.98 124.00 2kwq s PHE 824 Ca 0.23 -2.24 0.18 0.00 -0.96 0.00 0.00 56.93 54.15 2kwq s PHE 824 Cb -0.01 -2.14 0.31 0.00 -0.34 0.00 0.00 43.02 40.84 2kwq s PHE 824 CO 0.16 -0.88 1.13 1.63 -1.46 0.00 0.00 175.22 175.80 2kwq n LYS 825 N 4.56 0.20 -1.80 10.12 4.76 -1.26 -5.09 118.16 129.64 2kwq n LYS 825 Ca -0.03 -1.81 -0.41 0.00 -2.87 0.00 0.00 58.31 53.19 2kwq n LYS 825 Cb 0.43 0.03 -0.00 0.00 -1.84 0.00 0.00 35.03 33.64 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 -0.31 2.60 -0.03 2.13 0.52 -1.26 -4.36 118.94 118.23 2kwq s TRP 826 Ca 0.23 1.13 0.03 0.00 0.02 0.00 0.00 56.10 57.50 2kwq s TRP 826 Cb 0.28 -4.03 0.00 0.00 -1.15 0.00 0.00 33.47 28.57 2kwq s TRP 826 CO -0.11 -3.06 -0.11 -2.00 0.02 0.00 0.00 176.95 171.69 2kwq s GLU 827 N -1.92 1.17 0.13 4.98 2.12 -0.01 -4.96 118.70 120.21 2kwq s GLU 827 Ca 0.54 -0.39 -0.31 0.00 0.36 0.00 0.00 54.97 55.17 2kwq s GLU 827 Cb -0.47 -1.07 -0.09 0.00 0.26 0.00 0.00 34.13 32.76 2kwq s GLU 827 CO 0.62 0.15 1.57 0.50 -0.54 0.00 0.00 175.26 177.56 2kwq s ARG 828 N 0.13 4.22 0.41 4.30 6.06 -1.26 -1.15 118.95 131.66 2kwq s ARG 828 Ca -0.03 2.32 0.05 0.00 -2.50 0.00 0.00 55.73 55.57 2kwq s ARG 828 Cb -0.09 -3.31 -0.06 0.00 0.06 0.00 0.00 34.95 31.55 2kwq s ARG 828 CO 0.01 -0.63 0.02 0.14 -2.50 0.00 0.00 175.30 172.34 2kwq s VAL 829 N 1.63 1.61 0.77 7.11 -7.23 0.00 -4.92 120.40 119.38 2kwq s VAL 829 Ca 0.71 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.75 2kwq s VAL 829 Cb -0.42 -2.76 0.18 0.00 0.56 0.00 0.00 36.38 33.94 2kwq s VAL 829 CO 0.31 0.00 1.05 0.61 -0.31 0.00 0.00 175.10 176.76 2kwq n GLY 830 N -0.97 -1.31 3.77 2.32 0.00 -1.26 -4.35 105.19 103.38 2kwq n GLY 830 Ca -0.07 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 2kwq n GLY 830 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2kwq s MET 831 N -5.28 3.91 0.33 1.61 1.75 -1.26 -4.81 119.30 115.56 2kwq s MET 831 Ca 0.60 1.93 -0.14 0.00 -1.25 0.00 0.00 55.69 56.83 2kwq s MET 831 Cb -0.02 -2.61 -0.08 0.00 2.84 0.00 0.00 34.83 34.96 2kwq s MET 831 CO 0.42 -0.47 0.73 -0.51 -0.65 0.00 0.00 175.02 174.54 2kwq s LEU 832 N -2.66 4.03 0.04 4.11 2.01 -1.26 -5.11 118.68 119.84 2kwq s LEU 832 Ca 0.59 1.22 0.07 0.00 0.01 0.00 0.00 54.13 56.02 2kwq s LEU 832 Cb -0.33 -4.04 -0.03 0.00 0.01 0.00 0.00 46.19 41.81 2kwq s LEU 832 CO 0.41 -0.23 -0.17 -0.54 1.01 0.00 0.00 176.35 176.82 2kwq s LYS 833 N -3.13 2.09 0.11 1.70 -0.14 -1.26 -5.15 119.74 113.95 2kwq s LYS 833 Ca 0.53 -0.98 -0.23 0.00 -1.36 0.00 0.00 55.97 53.94 2kwq s LYS 833 Cb -0.10 -2.20 0.06 0.00 -1.68 0.00 0.00 37.83 33.90 2kwq s LYS 833 CO 0.20 0.54 0.56 -1.83 -0.76 0.00 0.00 175.35 174.06 2kwq s GLU 834 N -1.48 1.17 0.18 1.68 -1.05 -1.26 -5.20 118.70 112.74 2kwq s GLU 834 Ca 0.15 -0.38 -0.24 0.00 -0.15 0.00 0.00 54.97 54.35 2kwq s GLU 834 Cb -0.11 0.53 0.05 0.00 -0.44 0.00 0.00 34.13 34.17 2kwq s GLU 834 CO 0.06 -0.47 0.81 -1.59 0.95 0.00 0.00 175.26 175.02 2kwq s LYS 835 N -3.20 1.37 0.11 -4.83 0.00 -1.26 -5.19 119.74 106.74 2kwq s LYS 835 Ca -0.01 -0.70 0.07 0.00 0.00 0.00 0.00 55.97 55.33 2kwq s LYS 835 Cb -0.00 0.50 -0.03 0.00 0.00 0.00 0.00 37.83 38.30 2kwq s LYS 835 CO -0.08 -0.62 -0.18 0.95 0.00 0.00 0.00 175.35 175.41 2kwq s THR 836 N -3.56 1.56 0.00 3.79 -4.23 -1.26 -5.15 115.64 106.78 2kwq s THR 836 Ca 0.09 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 2kwq s THR 836 Cb -0.03 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.33 2kwq s THR 836 CO 0.00 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 2kwq n GLY 837 N 0.97 0.60 3.77 3.99 0.00 -1.26 -5.04 105.19 108.23 2kwq n GLY 837 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 1.79 3.42 0.52 1.61 0.04 -1.26 -4.95 135.00 136.17 2kwq s PRO 838 Ca 0.00 1.68 0.27 0.00 0.04 0.00 0.00 61.00 63.00 2kwq s PRO 838 Cb 0.00 -2.10 1.44 0.00 0.04 0.00 0.00 34.50 33.87 2kwq s PRO 838 CO 0.00 -0.81 2.06 1.57 0.04 0.00 0.00 177.00 179.87 2kwq h LYS 839 N 1.39 0.00 0.00 4.56 2.10 -2.07 -2.91 116.57 119.64 2kwq h LYS 839 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2kwq h LYS 839 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2kwq h LYS 839 CO 0.58 0.12 -1.66 -0.11 -2.00 0.00 0.00 179.45 176.37 2kwq n LEU 840 N -3.61 0.28 0.00 7.07 7.94 -1.26 -5.10 117.00 122.31 2kwq n LEU 840 Ca -0.02 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 2kwq n LEU 840 Cb 0.24 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.17 2kwq n LEU 840 CO 0.30 -0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.17 2kwq n GLY 841 N 1.26 0.26 0.00 -3.96 0.00 -1.10 -5.23 105.19 96.42 2kwq n GLY 841 Ca -0.02 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2kwq n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93