#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 0.52 0.00 1.61 0.13 -2.04 -3.47 132.00 128.75 2kwq h PRO -3 Ca 0.00 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2kwq h PRO -3 Cb 0.00 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 2kwq h PRO -3 CO 0.00 1.00 0.00 -0.12 -0.23 0.00 0.00 178.00 178.65 2kwq n MET -2 N -4.28 0.00 -3.62 0.86 1.56 -1.26 -4.82 117.12 105.56 2kwq n MET -2 Ca -0.07 0.00 -0.04 0.00 -0.27 0.00 0.00 57.70 57.32 2kwq n MET -2 Cb 0.55 -1.10 -0.03 0.00 2.15 0.00 0.00 33.22 34.78 2kwq n MET -2 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 2kwq s GLY -1 N -0.28 -0.08 0.00 -5.12 0.00 -1.26 -3.49 107.32 97.09 2kwq s GLY -1 Ca 0.00 2.33 0.00 0.00 0.00 0.00 0.00 44.72 47.05 2kwq s GLY -1 CO 0.00 0.91 0.00 1.03 0.00 0.00 0.00 173.10 175.04 2kwq n MET 755 N 0.34 0.00 0.09 2.90 2.81 0.05 -4.60 117.12 118.71 2kwq n MET 755 Ca -0.01 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.81 2kwq n MET 755 Cb 0.58 -0.81 -0.02 0.00 -0.71 0.00 0.00 33.22 32.26 2kwq n MET 755 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 2kwq h GLN 756 N 0.04 0.13 -6.32 0.03 5.75 -1.88 -3.46 115.11 109.40 2kwq h GLN 756 Ca 0.00 -0.15 -0.54 0.00 -0.15 0.00 0.00 58.65 57.81 2kwq h GLN 756 Cb 0.00 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 2kwq h GLN 756 CO 0.00 0.94 -0.25 -1.12 -2.65 0.00 0.00 178.83 175.75 2kwq s SER 757 N -6.88 6.44 0.19 -0.69 0.01 -1.26 -5.11 113.70 106.40 2kwq s SER 757 Ca -0.02 0.57 -0.14 0.00 1.31 0.00 0.00 55.95 57.67 2kwq s SER 757 Cb 0.10 -2.08 -0.07 0.00 0.21 0.00 0.00 66.02 64.18 2kwq s SER 757 CO 0.82 -0.08 0.59 -0.63 0.41 0.00 0.00 173.24 174.35 2kwq s ILE 758 N -1.91 4.82 -0.68 1.44 -1.09 -1.26 -4.97 121.20 117.55 2kwq s ILE 758 Ca 0.41 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 2kwq s ILE 758 Cb -0.11 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 2kwq s ILE 758 CO 0.28 0.12 0.37 -2.11 -1.23 0.00 0.00 174.94 172.37 2kwq n ARG 759 N 0.45 0.56 -4.02 2.79 1.85 -1.26 -4.73 116.66 112.29 2kwq n ARG 759 Ca -0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.74 2kwq n ARG 759 Cb 0.52 -1.26 -0.10 0.00 -1.05 0.00 0.00 32.46 30.57 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 -0.54 0.59 0.05 2.89 -1.05 -1.26 -0.98 118.70 118.40 2kwq s GLU 760 Ca 0.00 -1.01 0.04 0.00 -0.15 0.00 0.00 54.97 53.85 2kwq s GLU 760 Cb 0.00 0.21 -0.02 0.00 -0.44 0.00 0.00 34.13 33.88 2kwq s GLU 760 CO 0.00 -0.13 -0.11 1.14 0.95 0.00 0.00 175.26 177.11 2kwq s GLN 761 N -3.29 0.69 0.39 -4.83 -2.07 -1.26 -5.04 119.66 104.25 2kwq s GLN 761 Ca 0.01 -0.80 -0.24 0.00 -1.82 0.00 0.00 55.36 52.51 2kwq s GLN 761 Cb 0.03 -0.60 -0.10 0.00 -1.09 0.00 0.00 33.01 31.25 2kwq s GLN 761 CO -0.08 0.13 1.00 -1.54 -1.32 0.00 0.00 175.29 173.48 2kwq s SER 762 N -1.50 6.93 0.11 12.60 1.04 -1.26 -2.87 113.70 128.75 2kwq s SER 762 Ca -0.05 1.90 -0.08 0.00 0.48 0.00 0.00 55.95 58.20 2kwq s SER 762 Cb -0.09 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.45 2kwq s SER 762 CO 0.01 -0.37 0.20 0.00 0.98 0.00 0.00 173.24 174.07 2kwq s ARG 764 N -3.90 4.71 0.24 0.00 3.52 -1.26 -1.49 118.95 120.78 2kwq s ARG 764 Ca 0.09 1.56 0.05 0.00 -0.13 0.00 0.00 55.73 57.31 2kwq s ARG 764 Cb 0.05 -3.31 -0.05 0.00 -1.56 0.00 0.00 34.95 30.08 2kwq s ARG 764 CO -0.08 0.26 -0.05 0.14 -0.81 0.00 0.00 175.30 174.77 2kwq s VAL 765 N -0.50 1.36 -0.04 7.11 -7.23 0.12 -4.75 120.40 116.47 2kwq s VAL 765 Ca 0.46 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 2kwq s VAL 765 Cb -0.26 -2.32 0.02 0.00 0.56 0.00 0.00 36.38 34.38 2kwq s VAL 765 CO 0.33 -0.38 -0.04 0.54 -0.31 0.00 0.00 175.10 175.24 2kwq s VAL 766 N -3.20 0.47 -0.24 1.32 0.11 0.88 -1.35 120.40 118.39 2kwq s VAL 766 Ca 0.27 -0.11 -0.13 0.00 -2.93 0.00 0.00 61.98 59.09 2kwq s VAL 766 Cb 0.04 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 34.35 2kwq s VAL 766 CO 0.09 0.20 0.26 -0.89 -3.33 0.00 0.00 175.10 171.43 2kwq s THR 767 N 0.81 5.28 -0.15 5.04 2.01 -0.23 -1.50 115.64 126.91 2kwq s THR 767 Ca -0.10 0.37 -0.29 0.00 0.31 0.00 0.00 61.69 61.97 2kwq s THR 767 Cb -0.13 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2kwq s THR 767 CO -0.00 0.28 1.43 0.00 -0.69 0.00 0.00 174.62 175.63 2kwq h LYS 769 N 8.99 0.00 -0.01 0.00 1.79 -1.20 -0.31 116.57 125.83 2kwq h LYS 769 Ca -0.31 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.13 2kwq h LYS 769 Cb 1.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 2kwq h LYS 769 CO 0.97 0.12 -0.10 1.15 -1.08 0.00 0.00 179.45 180.52 2kwq h THR 770 N 0.00 1.54 0.00 -0.16 2.02 -1.92 -3.37 112.91 111.03 2kwq h THR 770 Ca -0.00 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.44 2kwq h THR 770 Cb 0.89 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.97 2kwq h THR 770 CO 0.02 0.46 -1.52 0.00 0.37 0.00 0.00 175.52 174.85 2kwq n LYS 772 N -2.32 -0.61 -3.97 0.00 4.01 -0.13 -5.06 118.16 110.09 2kwq n LYS 772 Ca -0.02 0.64 -0.23 0.00 -0.51 0.00 0.00 58.31 58.20 2kwq n LYS 772 Cb 0.54 -4.54 -0.02 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 -2.35 3.45 -0.04 2.13 -0.85 -1.24 -4.94 117.35 113.52 2kwq s TYR 773 Ca 0.00 0.02 0.07 0.00 -0.52 0.00 0.00 57.07 56.64 2kwq s TYR 773 Cb 0.00 -1.60 -0.02 0.00 0.38 0.00 0.00 41.96 40.73 2kwq s TYR 773 CO 0.00 0.47 -0.24 0.99 -1.52 0.00 0.00 175.55 175.24 2kwq s THR 774 N -1.90 2.15 0.33 -3.49 2.01 -1.26 -1.48 115.64 112.00 2kwq s THR 774 Ca 0.34 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 61.17 2kwq s THR 774 Cb -0.10 -1.76 0.02 0.00 0.01 0.00 0.00 72.50 70.67 2kwq s THR 774 CO 0.29 0.58 0.62 -1.00 -0.69 0.00 0.00 174.62 174.41 2kwq s HIS 775 N -0.44 0.40 0.26 4.92 3.76 -0.56 -4.80 115.29 118.83 2kwq s HIS 775 Ca 0.05 -0.85 0.03 0.00 -0.15 0.00 0.00 55.06 54.14 2kwq s HIS 775 Cb -0.12 0.41 0.34 0.00 1.11 0.00 0.00 32.58 34.33 2kwq s HIS 775 CO 0.01 -1.27 1.65 0.27 -0.85 0.00 0.00 174.74 174.54 2kwq h PHE 776 N 2.09 0.45 -3.93 1.40 -0.00 -1.85 0.25 116.94 115.35 2kwq h PHE 776 Ca -0.28 -0.13 -0.22 0.00 -0.00 0.00 0.00 57.97 57.35 2kwq h PHE 776 Cb 1.25 -0.10 -0.17 0.00 -0.00 0.00 0.00 35.95 36.93 2kwq h PHE 776 CO 1.05 0.74 -0.70 0.15 -0.00 0.00 0.00 178.31 179.54 2kwq s LYS 777 N -4.17 0.69 0.62 6.09 1.02 -1.26 -4.32 119.74 118.41 2kwq s LYS 777 Ca -0.06 -1.12 -0.17 0.00 0.02 0.00 0.00 55.97 54.65 2kwq s LYS 777 Cb 0.13 -0.15 -0.02 0.00 -0.52 0.00 0.00 37.83 37.27 2kwq s LYS 777 CO 0.80 -0.01 1.12 -2.14 -0.92 0.00 0.00 175.35 174.19 2kwq s PRO 778 N -3.09 2.99 0.82 -1.68 0.02 -1.26 -4.94 135.00 127.86 2kwq s PRO 778 Ca 0.03 1.49 -0.10 0.00 0.02 0.00 0.00 61.00 62.44 2kwq s PRO 778 Cb 0.01 -1.97 0.09 0.00 0.02 0.00 0.00 34.50 32.65 2kwq s PRO 778 CO -0.04 -1.12 1.11 0.15 -0.33 0.00 0.00 177.00 176.77 2kwq s LYS 779 N -3.77 1.81 0.32 5.54 1.02 -1.26 -4.84 119.74 118.55 2kwq s LYS 779 Ca 0.70 1.24 0.00 0.00 0.02 0.00 0.00 55.97 57.93 2kwq s LYS 779 Cb -0.22 -1.84 0.53 0.00 -0.52 0.00 0.00 37.83 35.78 2kwq s LYS 779 CO 0.36 -1.98 1.97 0.93 -0.92 0.00 0.00 175.35 175.71 2kwq h GLU 780 N -1.38 0.98 -0.62 1.68 4.39 -1.99 -1.02 114.58 116.63 2kwq h GLU 780 Ca -0.44 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 2kwq h GLU 780 Cb 1.25 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 2kwq h GLU 780 CO 0.49 0.65 0.27 1.79 -1.16 0.00 0.00 179.01 181.05 2kwq h THR 781 N 1.01 1.23 -0.35 1.13 1.35 -1.98 -0.17 112.91 115.12 2kwq h THR 781 Ca 0.30 -0.68 -0.14 0.00 -0.55 0.00 0.00 66.41 65.35 2kwq h THR 781 Cb -0.03 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 66.90 2kwq h THR 781 CO -0.08 0.27 -0.33 0.00 -0.25 0.00 0.00 175.52 175.13 2kwq h VAL 783 N 0.66 1.30 -0.34 0.00 2.07 -1.18 -1.10 116.25 117.66 2kwq h VAL 783 Ca 0.07 -1.50 -0.11 0.00 0.82 0.00 0.00 66.70 65.97 2kwq h VAL 783 Cb 0.87 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 2kwq h VAL 783 CO 0.08 0.48 -0.24 -1.28 0.02 0.00 0.00 177.57 176.63 2kwq h SER 784 N 0.44 0.79 0.76 0.57 0.87 -0.83 -2.99 113.55 113.16 2kwq h SER 784 Ca 0.04 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2kwq h SER 784 Cb 0.90 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2kwq h SER 784 CO 0.08 1.06 -0.02 -0.62 -0.53 0.00 0.00 176.83 176.80 2kwq n GLU 785 N -4.26 0.23 -3.18 2.24 1.02 0.19 -4.96 120.64 111.92 2kwq n GLU 785 Ca -0.03 -0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 56.95 2kwq n GLU 785 Cb 0.45 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.43 2kwq n GLU 785 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2kwq n ASN 786 N -1.37 -3.74 -4.70 1.62 5.03 -0.97 -5.02 115.26 106.10 2kwq n ASN 786 Ca 0.11 -0.42 -0.33 0.00 0.87 0.00 0.00 54.58 54.81 2kwq n ASN 786 Cb 0.29 -3.84 0.12 0.00 -1.02 0.00 0.00 39.78 35.34 2kwq n ASN 786 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2kwq s HIS 787 N -3.25 1.88 0.01 3.10 3.76 -0.46 -5.03 115.29 115.31 2kwq s HIS 787 Ca 0.23 1.67 -0.18 0.00 -0.15 0.00 0.00 55.06 56.63 2kwq s HIS 787 Cb -0.10 -3.43 -0.06 0.00 1.11 0.00 0.00 32.58 30.10 2kwq s HIS 787 CO 0.53 -2.72 0.51 -0.51 -0.85 0.00 0.00 174.74 171.71 2kwq s ASP 788 N -2.27 6.92 0.16 1.40 1.01 -1.26 -4.92 116.67 117.70 2kwq s ASP 788 Ca 0.72 1.10 0.02 0.00 0.71 0.00 0.00 52.55 55.09 2kwq s ASP 788 Cb -0.27 -2.32 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2kwq s ASP 788 CO 0.50 0.22 -0.01 0.72 0.21 0.00 0.00 175.17 176.82 2kwq s PHE 789 N -0.71 1.14 -0.01 4.23 -0.71 -1.26 -0.65 117.98 120.01 2kwq s PHE 789 Ca 0.27 -1.01 0.00 0.00 -1.04 0.00 0.00 56.93 55.15 2kwq s PHE 789 Cb -0.18 -0.65 0.01 0.00 -1.21 0.00 0.00 43.02 40.99 2kwq s PHE 789 CO 0.16 -0.21 0.00 -1.58 -1.34 0.00 0.00 175.22 172.25 2kwq s HIS 790 N -3.67 0.07 0.09 3.49 2.46 -0.17 -4.90 115.29 112.66 2kwq s HIS 790 Ca 0.22 0.02 0.02 0.00 0.47 0.00 0.00 55.06 55.79 2kwq s HIS 790 Cb 0.06 -0.10 -0.04 0.00 -0.13 0.00 0.00 32.58 32.37 2kwq s HIS 790 CO 0.02 -0.03 0.18 -1.58 -2.47 0.00 0.00 174.74 170.86 2kwq s TRP 791 N 0.29 3.38 0.12 3.88 0.52 -1.26 -1.06 118.94 124.80 2kwq s TRP 791 Ca -0.02 0.15 -0.17 0.00 0.02 0.00 0.00 56.10 56.07 2kwq s TRP 791 Cb -0.04 -1.67 0.06 0.00 -1.15 0.00 0.00 33.47 30.67 2kwq s TRP 791 CO -0.01 0.55 0.80 -2.39 0.02 0.00 0.00 176.95 175.92 2kwq n HIS 792 N 0.10 -1.05 -4.26 -1.98 1.44 -0.46 -5.00 115.22 104.01 2kwq n HIS 792 Ca -0.07 -0.90 -0.30 0.00 -2.01 0.00 0.00 57.72 54.45 2kwq n HIS 792 Cb 0.52 0.44 -0.10 0.00 0.12 0.00 0.00 29.99 30.96 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 -2.86 4.27 0.00 4.39 -0.87 -1.26 0.14 114.94 118.75 2kwq s ASN 793 Ca 0.18 -0.42 0.00 0.00 -1.57 0.00 0.00 52.86 51.04 2kwq s ASN 793 Cb -0.02 -0.77 0.00 0.00 -0.02 0.00 0.00 41.25 40.44 2kwq s ASN 793 CO 0.04 0.18 0.00 0.61 -2.57 0.00 0.00 177.10 175.36 2kwq n GLY 794 N 0.75 2.10 2.98 0.66 0.00 -0.55 -4.87 105.19 106.26 2kwq n GLY 794 Ca -0.14 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 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 0.75 0.36 1.61 1.01 -1.26 -1.33 120.40 118.64 2kwq s VAL 795 Ca 0.00 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.71 2kwq s VAL 795 Cb 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 2kwq s VAL 795 CO 0.00 0.24 0.52 -1.59 0.00 0.00 0.00 175.10 174.27 2kwq s LYS 796 N 0.36 3.14 -0.07 2.72 -2.85 -1.14 -4.77 119.74 117.13 2kwq s LYS 796 Ca -0.06 -0.83 0.00 0.00 -1.00 0.00 0.00 55.97 54.08 2kwq s LYS 796 Cb -0.10 -2.75 0.02 0.00 -2.06 0.00 0.00 37.83 32.94 2kwq s LYS 796 CO 0.01 0.01 -0.04 1.03 0.10 0.00 0.00 175.35 176.45 2kwq s ARG 797 N -4.26 0.96 -0.09 1.78 1.81 0.46 -4.46 118.95 115.15 2kwq s ARG 797 Ca 0.45 -0.09 -0.09 0.00 -1.72 0.00 0.00 55.73 54.27 2kwq s ARG 797 Cb -0.10 -1.06 -0.04 0.00 -0.45 0.00 0.00 34.95 33.29 2kwq s ARG 797 CO 0.33 -0.17 0.22 -0.06 -0.68 0.00 0.00 175.30 174.93 2kwq s PHE 798 N 1.36 3.63 0.09 -0.53 0.08 -1.25 -1.19 117.98 120.16 2kwq s PHE 798 Ca -0.04 0.65 0.04 0.00 0.12 0.00 0.00 56.93 57.70 2kwq s PHE 798 Cb -0.13 -2.05 -0.03 0.00 -0.57 0.00 0.00 43.02 40.23 2kwq s PHE 798 CO -0.03 0.69 -0.11 -0.06 -0.10 0.00 0.00 175.22 175.61 2kwq s PHE 799 N -0.96 1.04 0.02 0.36 0.08 -0.27 -0.89 117.98 117.36 2kwq s PHE 799 Ca 0.17 -0.60 0.03 0.00 0.12 0.00 0.00 56.93 56.65 2kwq s PHE 799 Cb -0.13 -0.58 -0.01 0.00 -0.57 0.00 0.00 43.02 41.73 2kwq s PHE 799 CO 0.06 0.00 -0.10 0.21 -0.10 0.00 0.00 175.22 175.30 2kwq s LYS 800 N -2.46 0.70 0.03 0.44 2.20 -0.43 -2.13 119.74 118.09 2kwq s LYS 800 Ca 0.02 -0.51 -0.00 0.00 -0.36 0.00 0.00 55.97 55.12 2kwq s LYS 800 Cb -0.05 -0.64 -0.04 0.00 -1.51 0.00 0.00 37.83 35.59 2kwq s LYS 800 CO 0.00 0.16 0.15 0.00 -0.36 0.00 0.00 175.35 175.31 2kwq h PRO 802 N 3.55 0.00 0.00 0.00 0.13 -1.88 -1.09 132.00 132.71 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 0.69 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.46 2kwq n GLY 804 N 0.88 0.45 3.75 0.00 0.00 -0.41 -5.11 105.19 104.75 2kwq n GLY 804 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.02 4.78 0.14 1.61 2.47 -1.25 -4.81 114.94 115.85 2kwq s ASN 805 Ca 0.00 2.21 0.07 0.00 0.42 0.00 0.00 52.86 55.55 2kwq s ASN 805 Cb 0.00 -2.57 -0.04 0.00 -1.45 0.00 0.00 41.25 37.19 2kwq s ASN 805 CO 0.00 -1.86 -0.15 -0.13 -3.72 0.00 0.00 177.10 171.24 2kwq s ARG 806 N -3.87 1.12 0.33 0.43 1.81 -1.26 -1.01 118.95 116.50 2kwq s ARG 806 Ca 0.72 -1.31 -0.15 0.00 -1.72 0.00 0.00 55.73 53.26 2kwq s ARG 806 Cb -0.25 -1.05 0.03 0.00 -0.45 0.00 0.00 34.95 33.22 2kwq s ARG 806 CO 0.41 0.20 0.68 -0.08 -0.68 0.00 0.00 175.30 175.84 2kwq s THR 807 N -2.17 0.00 0.01 0.02 -1.32 -0.90 -5.00 115.64 106.28 2kwq s THR 807 Ca 0.12 -1.14 -0.01 0.00 -1.21 0.00 0.00 61.69 59.45 2kwq s THR 807 Cb -0.05 -2.48 -0.01 0.00 -1.51 0.00 0.00 72.50 68.45 2kwq s THR 807 CO 0.04 0.00 0.01 -0.63 -2.21 0.00 0.00 174.62 171.83 2kwq s ILE 808 N -3.14 0.07 0.29 5.08 1.01 -1.26 -1.12 121.20 122.13 2kwq s ILE 808 Ca 0.17 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.20 2kwq s ILE 808 Cb -0.04 -0.22 -0.02 0.00 0.01 0.00 0.00 42.46 42.19 2kwq s ILE 808 CO 0.11 -0.34 0.32 -0.55 0.00 0.00 0.00 174.94 174.48 2kwq s SER 809 N -1.02 0.80 0.11 3.58 0.15 -0.34 -4.99 113.70 112.00 2kwq s SER 809 Ca -0.11 -1.47 0.22 0.00 0.70 0.00 0.00 55.95 55.29 2kwq s SER 809 Cb -0.07 0.54 -0.07 0.00 -1.71 0.00 0.00 66.02 64.71 2kwq s SER 809 CO -0.00 -1.08 0.90 0.18 1.20 0.00 0.00 173.24 174.43 2kwq n LEU 810 N -0.48 0.57 -4.93 3.45 4.77 -1.26 -0.40 117.00 118.72 2kwq n LEU 810 Ca 0.03 0.17 -0.25 0.00 -0.03 0.00 0.00 56.01 55.92 2kwq n LEU 810 Cb 0.63 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.71 2kwq n LEU 810 CO 0.30 -0.09 0.52 -0.62 -1.33 0.00 0.00 177.39 176.17 2kwq s ASP 811 N -4.81 5.31 0.18 -1.43 2.15 -1.26 -4.77 116.67 112.05 2kwq s ASP 811 Ca -0.01 0.49 0.19 0.00 0.43 0.00 0.00 52.55 53.65 2kwq s ASP 811 Cb 0.12 -1.38 0.83 0.00 -0.30 0.00 0.00 42.92 42.19 2kwq s ASP 811 CO 0.82 -1.22 1.57 -2.11 -0.17 0.00 0.00 175.17 174.06 2kwq n ARG 812 N -2.62 0.12 -3.64 4.34 1.85 -1.26 -4.68 116.66 110.78 2kwq n ARG 812 Ca 0.06 0.44 -0.10 0.00 -1.00 0.00 0.00 57.85 57.24 2kwq n ARG 812 Cb 0.59 -1.77 -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 -3.99 -0.69 0.62 2.89 2.96 -1.26 -4.92 118.68 114.29 2kwq s LEU 813 Ca 0.03 1.25 -0.15 0.00 -0.22 0.00 0.00 54.13 55.04 2kwq s LEU 813 Cb 0.08 2.23 -0.02 0.00 0.50 0.00 0.00 46.19 48.97 2kwq s LEU 813 CO 0.28 -0.21 1.07 -2.16 -1.32 0.00 0.00 176.35 174.01 2kwq s PRO 814 N 0.70 3.18 0.04 0.98 0.04 -1.26 -5.00 135.00 133.68 2kwq s PRO 814 Ca -0.02 1.21 0.22 0.00 0.04 0.00 0.00 61.00 62.45 2kwq s PRO 814 Cb -0.05 -2.01 -0.15 0.00 0.04 0.00 0.00 34.50 32.32 2kwq s PRO 814 CO -0.07 -0.92 0.79 0.36 0.04 0.00 0.00 177.00 177.19 2kwq n LYS 815 N -2.23 0.48 -2.24 4.56 0.00 -1.26 -4.99 118.16 112.49 2kwq n LYS 815 Ca 0.09 -0.06 -0.37 0.00 -0.00 0.00 0.00 58.31 57.96 2kwq n LYS 815 Cb 0.53 -1.60 -0.01 0.00 -0.00 0.00 0.00 35.03 33.95 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 -3.35 3.78 0.67 -1.58 -2.85 -1.26 -5.07 119.74 110.08 2kwq s LYS 816 Ca -0.02 1.81 -0.11 0.00 -1.00 0.00 0.00 55.97 56.65 2kwq s LYS 816 Cb 0.13 -2.45 -0.01 0.00 -2.06 0.00 0.00 37.83 33.44 2kwq s LYS 816 CO 0.85 -0.54 1.07 -1.01 0.10 0.00 0.00 175.35 175.82 2kwq s HIS 817 N -1.51 3.45 0.35 1.78 3.76 -1.26 -4.93 115.29 116.93 2kwq s HIS 817 Ca 0.63 1.16 -0.28 0.00 -0.15 0.00 0.00 55.06 56.41 2kwq s HIS 817 Cb -0.30 -2.92 -0.11 0.00 1.11 0.00 0.00 32.58 30.37 2kwq s HIS 817 CO 0.36 -0.97 1.38 0.00 -0.85 0.00 0.00 174.74 174.66 2kwq n SER 819 N 0.63 0.30 -0.12 0.00 7.64 -1.26 -2.94 113.62 117.88 2kwq n SER 819 Ca 0.01 0.09 -0.18 0.00 1.01 0.00 0.00 58.87 59.79 2kwq n SER 819 Cb 0.41 -0.08 -0.10 0.00 -1.01 0.00 0.00 64.21 63.42 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 -1.54 1.32 0.00 0.44 -1.04 -1.26 -4.81 114.28 107.40 2kwq n THR 820 Ca 0.06 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 2kwq n THR 820 Cb 0.34 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 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 1.43 0.85 0.10 0.00 0.00 -1.15 -5.03 105.19 101.40 2kwq n GLY 822 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.80 0.99 -0.00 -1.26 -4.50 117.00 108.43 2kwq n LEU 823 Ca 0.00 -0.05 -0.30 0.00 -0.00 0.00 0.00 56.01 55.66 2kwq n LEU 823 Cb 0.00 -0.02 -0.15 0.00 -0.00 0.00 0.00 43.42 43.25 2kwq n LEU 823 CO 0.00 -0.51 -0.34 0.12 -0.00 0.00 0.00 177.39 176.66 2kwq s PHE 824 N 0.05 2.11 0.00 1.47 5.36 -1.26 -1.14 117.98 124.57 2kwq s PHE 824 Ca 0.02 -1.93 0.18 0.00 -0.96 0.00 0.00 56.93 54.24 2kwq s PHE 824 Cb -0.00 -1.89 0.30 0.00 -0.34 0.00 0.00 43.02 41.08 2kwq s PHE 824 CO 0.01 -0.87 1.11 1.63 -1.46 0.00 0.00 175.22 175.64 2kwq n LYS 825 N 4.73 0.00 -1.75 10.12 4.76 -1.26 -5.10 118.16 129.66 2kwq n LYS 825 Ca -0.02 -1.67 -0.42 0.00 -2.87 0.00 0.00 58.31 53.33 2kwq n LYS 825 Cb 0.42 0.10 -0.01 0.00 -1.84 0.00 0.00 35.03 33.70 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 0.35 2.84 -5.03 2.13 7.02 -1.26 -4.42 117.44 119.06 2kwq n TRP 826 Ca -0.03 0.37 -0.29 0.00 -1.02 0.00 0.00 57.50 56.53 2kwq n TRP 826 Cb 1.01 -2.55 -0.16 0.00 -2.42 0.00 0.00 31.31 27.18 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 -1.31 2.35 0.04 -0.99 2.12 0.02 -4.96 118.70 115.97 2kwq s GLU 827 Ca 0.59 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.87 2kwq s GLU 827 Cb -0.50 -1.91 -0.07 0.00 0.26 0.00 0.00 34.13 31.90 2kwq s GLU 827 CO 0.56 0.23 1.54 0.50 -0.54 0.00 0.00 175.26 177.56 2kwq s ARG 828 N 0.15 4.23 0.38 4.30 6.06 -1.26 -1.31 118.95 131.51 2kwq s ARG 828 Ca -0.10 2.18 0.04 0.00 -2.50 0.00 0.00 55.73 55.35 2kwq s ARG 828 Cb -0.15 -3.57 -0.03 0.00 0.06 0.00 0.00 34.95 31.26 2kwq s ARG 828 CO 0.05 -0.66 0.13 0.14 -2.50 0.00 0.00 175.30 172.46 2kwq s VAL 829 N 2.49 0.59 0.45 7.11 -7.23 -0.06 -4.94 120.40 118.81 2kwq s VAL 829 Ca 0.69 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.93 2kwq s VAL 829 Cb -0.36 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 2kwq s VAL 829 CO 0.30 0.00 0.34 -0.83 -0.31 0.00 0.00 175.10 174.60 2kwq s GLY 830 N -3.55 2.25 -0.30 2.32 0.00 -1.26 -3.95 107.32 102.83 2kwq s GLY 830 Ca 0.27 -1.77 -0.08 0.00 0.00 0.00 0.00 44.72 43.14 2kwq s GLY 830 CO 0.16 -1.82 0.74 -0.29 0.00 0.00 0.00 173.10 171.88 2kwq s MET 831 N -4.13 0.48 -0.05 2.90 0.00 -0.15 -4.98 119.30 113.38 2kwq s MET 831 Ca 0.43 1.07 -0.30 0.00 0.00 0.00 0.00 55.69 56.88 2kwq s MET 831 Cb -0.01 0.63 0.11 0.00 0.00 0.00 0.00 34.83 35.55 2kwq s MET 831 CO 0.25 -0.32 1.00 -1.17 0.00 0.00 0.00 175.02 174.78 2kwq s LEU 832 N 2.81 -0.27 0.13 4.11 2.96 -1.26 -4.40 118.68 122.75 2kwq s LEU 832 Ca 0.04 -0.04 0.25 0.00 -0.22 0.00 0.00 54.13 54.16 2kwq s LEU 832 Cb -0.12 1.83 0.93 0.00 0.50 0.00 0.00 46.19 49.33 2kwq s LEU 832 CO -0.19 -0.52 1.76 2.29 -1.32 0.00 0.00 176.35 178.37 2kwq n LYS 833 N -0.23 0.14 -2.85 1.98 2.85 -1.26 -4.68 118.16 114.10 2kwq n LYS 833 Ca -0.06 0.21 -0.41 0.00 -1.05 0.00 0.00 58.31 57.00 2kwq n LYS 833 Cb 0.61 -1.69 -0.04 0.00 -0.65 0.00 0.00 35.03 33.26 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 -3.10 4.44 0.52 -1.58 8.01 -1.26 -4.89 118.70 120.83 2kwq s GLU 834 Ca 0.10 1.16 -0.21 0.00 0.01 0.00 0.00 54.97 56.02 2kwq s GLU 834 Cb 0.13 -3.49 -0.06 0.00 -4.31 0.00 0.00 34.13 26.40 2kwq s GLU 834 CO 0.48 -0.12 1.20 -1.59 0.01 0.00 0.00 175.26 175.24 2kwq s LYS 835 N 1.35 3.41 0.33 1.61 -2.85 -1.23 -4.79 119.74 117.57 2kwq s LYS 835 Ca 0.44 1.82 0.17 0.00 -1.00 0.00 0.00 55.97 57.40 2kwq s LYS 835 Cb -0.19 -2.19 0.31 0.00 -2.06 0.00 0.00 37.83 33.70 2kwq s LYS 835 CO 0.20 -0.86 1.56 1.79 0.10 0.00 0.00 175.35 178.14 2kwq h THR 836 N 1.45 0.76 0.00 3.79 1.35 -1.95 0.19 112.91 118.50 2kwq h THR 836 Ca -0.50 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.49 2kwq h THR 836 Cb 1.27 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.92 2kwq h THR 836 CO 0.58 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.86 2kwq n GLY 837 N 0.91 0.59 3.78 5.82 0.00 -1.26 -4.67 105.19 110.36 2kwq n GLY 837 Ca 0.02 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 3.39 0.09 1.61 0.04 -1.26 -4.97 135.00 133.90 2kwq s PRO 838 Ca 0.00 1.53 0.27 0.00 0.04 0.00 0.00 61.00 62.83 2kwq s PRO 838 Cb 0.00 -2.02 0.82 0.00 0.04 0.00 0.00 34.50 33.34 2kwq s PRO 838 CO 0.00 -0.80 1.68 1.63 0.04 0.00 0.00 177.00 179.56 2kwq n LYS 839 N -1.36 0.14 -2.14 4.56 5.02 -1.26 -4.94 118.16 118.18 2kwq n LYS 839 Ca 0.11 0.09 -0.34 0.00 -2.02 0.00 0.00 58.31 56.15 2kwq n LYS 839 Cb 0.51 -1.64 0.01 0.00 -0.02 0.00 0.00 35.03 33.90 2kwq n LYS 839 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kwq s LEU 840 N -3.74 3.64 0.00 -0.35 2.01 -1.26 -4.01 118.68 114.96 2kwq s LEU 840 Ca 0.11 2.05 0.00 0.00 0.01 0.00 0.00 54.13 56.30 2kwq s LEU 840 Cb 0.16 -4.56 0.00 0.00 0.01 0.00 0.00 46.19 41.79 2kwq s LEU 840 CO 0.61 -1.26 0.00 0.61 1.01 0.00 0.00 176.35 177.33 2kwq n GLY 841 N -0.23 0.88 0.00 -3.19 0.00 -1.26 -5.20 105.19 96.19 2kwq n GLY 841 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2kwq n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93