#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 0.00 0.00 1.61 0.11 -2.04 -2.68 132.00 129.00 2kwq h PRO -3 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kwq h PRO -3 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kwq h PRO -3 CO 0.00 0.00 -0.02 0.52 -0.21 0.00 0.00 178.00 178.29 2kwq h MET -2 N 0.00 0.00 -0.11 1.05 2.86 -2.13 -2.46 114.93 114.14 2kwq h MET -2 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2kwq h MET -2 Cb 1.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.80 2kwq h MET -2 CO -0.00 0.02 0.00 0.41 1.06 0.00 0.00 176.91 178.40 2kwq n GLY -1 N -1.28 1.37 3.83 8.32 0.00 -1.01 -5.08 105.19 111.33 2kwq n GLY -1 Ca -0.03 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 2kwq n GLY -1 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2kwq s MET 755 N -0.80 3.31 0.42 1.61 0.00 -0.93 -5.01 119.30 117.89 2kwq s MET 755 Ca 0.10 0.96 0.04 0.00 0.00 0.00 0.00 55.69 56.79 2kwq s MET 755 Cb 0.06 -2.04 -0.02 0.00 0.00 0.00 0.00 34.83 32.83 2kwq s MET 755 CO 0.08 -0.81 0.13 -0.65 0.00 0.00 0.00 175.02 173.77 2kwq s GLN 756 N -4.74 1.95 -1.40 4.11 -0.21 -1.26 -5.06 119.66 113.05 2kwq s GLN 756 Ca 0.59 -2.19 -0.13 0.00 0.02 0.00 0.00 55.36 53.64 2kwq s GLN 756 Cb -0.13 -0.63 0.08 0.00 1.00 0.00 0.00 33.01 33.33 2kwq s GLN 756 CO 0.48 -0.49 2.11 0.43 -2.12 0.00 0.00 175.29 175.70 2kwq n SER 757 N -1.34 4.25 -4.78 5.90 7.64 -1.26 -4.99 113.62 119.05 2kwq n SER 757 Ca -0.06 -2.92 -0.35 0.00 1.01 0.00 0.00 58.87 56.55 2kwq n SER 757 Cb 0.65 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 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 2.39 3.27 -1.10 0.44 -1.09 -1.26 -4.95 121.20 118.90 2kwq s ILE 758 Ca 0.45 0.76 0.00 0.00 -2.23 0.00 0.00 60.65 59.63 2kwq s ILE 758 Cb 0.12 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 2kwq s ILE 758 CO -0.06 -0.20 0.39 -2.11 -1.23 0.00 0.00 174.94 171.73 2kwq n ARG 759 N -1.43 0.72 -4.45 2.79 1.85 -1.26 -4.53 116.66 110.34 2kwq n ARG 759 Ca 0.11 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.74 2kwq n ARG 759 Cb 0.51 -1.32 -0.16 0.00 -1.05 0.00 0.00 32.46 30.44 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 -1.10 1.23 0.02 2.89 -1.05 -1.26 -0.95 118.70 118.49 2kwq s GLU 760 Ca 0.00 -0.33 0.08 0.00 -0.15 0.00 0.00 54.97 54.57 2kwq s GLU 760 Cb 0.00 -1.10 -0.03 0.00 -0.44 0.00 0.00 34.13 32.57 2kwq s GLU 760 CO 0.00 0.07 -0.25 1.14 0.95 0.00 0.00 175.26 177.16 2kwq s GLN 761 N 0.44 1.96 0.36 -4.83 -2.07 -1.25 -4.92 119.66 109.35 2kwq s GLN 761 Ca -0.08 -1.02 -0.28 0.00 -1.82 0.00 0.00 55.36 52.16 2kwq s GLN 761 Cb -0.12 -2.03 -0.11 0.00 -1.09 0.00 0.00 33.01 29.67 2kwq s GLN 761 CO 0.02 0.54 1.42 -1.12 -1.32 0.00 0.00 175.29 174.82 2kwq s SER 762 N -0.99 6.49 0.15 12.60 0.01 -1.26 -3.35 113.70 127.35 2kwq s SER 762 Ca 0.11 2.92 -0.11 0.00 1.31 0.00 0.00 55.95 60.18 2kwq s SER 762 Cb -0.10 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.47 2kwq s SER 762 CO 0.01 -0.76 0.32 0.00 0.41 0.00 0.00 173.24 173.23 2kwq s ARG 764 N -3.91 4.24 0.21 0.00 3.52 -1.26 -1.14 118.95 120.60 2kwq s ARG 764 Ca 0.12 0.57 -0.02 0.00 -0.13 0.00 0.00 55.73 56.27 2kwq s ARG 764 Cb 0.03 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 2kwq s ARG 764 CO -0.04 0.38 0.15 0.14 -0.81 0.00 0.00 175.30 175.12 2kwq s VAL 765 N -0.14 0.00 0.01 7.11 -7.23 0.71 -4.88 120.40 115.97 2kwq s VAL 765 Ca 0.28 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.52 2kwq s VAL 765 Cb -0.17 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 2kwq s VAL 765 CO 0.14 0.00 -0.11 0.54 -0.31 0.00 0.00 175.10 175.36 2kwq s VAL 766 N -4.14 0.87 -0.25 1.32 0.11 0.38 -1.21 120.40 117.47 2kwq s VAL 766 Ca 0.38 -0.62 -0.04 0.00 -2.93 0.00 0.00 61.98 58.77 2kwq s VAL 766 Cb 0.06 -0.76 0.01 0.00 -1.53 0.00 0.00 36.38 34.17 2kwq s VAL 766 CO 0.12 0.14 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.14 2kwq s THR 767 N -0.46 3.48 -0.22 5.04 2.01 -0.06 -0.55 115.64 124.88 2kwq s THR 767 Ca 0.03 -0.69 -0.29 0.00 0.31 0.00 0.00 61.69 61.04 2kwq s THR 767 Cb -0.05 -2.71 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 2kwq s THR 767 CO 0.00 0.24 1.30 0.00 -0.69 0.00 0.00 174.62 175.47 2kwq h LYS 769 N 8.74 0.00 0.05 0.00 1.79 -1.13 -0.38 116.57 125.64 2kwq h LYS 769 Ca -0.27 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 57.99 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 0.99 0.03 -0.85 1.15 -1.08 0.00 0.00 179.45 179.69 2kwq h THR 770 N 0.00 1.39 0.00 -0.16 2.02 -1.91 -3.37 112.91 110.88 2kwq h THR 770 Ca -0.00 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.92 2kwq h THR 770 Cb 0.93 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 70.02 2kwq h THR 770 CO 0.00 0.67 -1.64 0.00 0.37 0.00 0.00 175.52 174.93 2kwq n LYS 772 N -2.02 0.00 -3.92 0.00 5.02 -0.16 -5.06 118.16 112.02 2kwq n LYS 772 Ca -0.01 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.07 2kwq n LYS 772 Cb 0.49 -2.02 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 2kwq n LYS 772 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2kwq s TYR 773 N -2.46 3.18 -0.08 2.13 -0.85 -1.20 -4.93 117.35 113.15 2kwq s TYR 773 Ca 0.00 -0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.42 2kwq s TYR 773 Cb 0.00 -1.61 -0.03 0.00 0.38 0.00 0.00 41.96 40.70 2kwq s TYR 773 CO 0.00 0.36 -0.07 0.99 -1.52 0.00 0.00 175.55 175.31 2kwq s THR 774 N -2.12 3.68 0.29 -3.49 2.01 -1.26 -1.62 115.64 113.14 2kwq s THR 774 Ca 0.36 -0.48 -0.13 0.00 0.31 0.00 0.00 61.69 61.76 2kwq s THR 774 Cb -0.08 -2.52 0.01 0.00 0.01 0.00 0.00 72.50 69.92 2kwq s THR 774 CO 0.27 0.58 0.57 -2.28 -0.69 0.00 0.00 174.62 173.08 2kwq s HIS 775 N -0.61 0.35 0.28 4.92 5.04 0.28 -4.94 115.29 120.60 2kwq s HIS 775 Ca 0.09 -0.76 0.04 0.00 -1.54 0.00 0.00 55.06 52.89 2kwq s HIS 775 Cb -0.12 0.34 0.40 0.00 0.04 0.00 0.00 32.58 33.24 2kwq s HIS 775 CO 0.02 -1.16 1.68 0.74 -2.34 0.00 0.00 174.74 173.69 2kwq h PHE 776 N 2.14 0.42 -2.09 3.88 0.04 -1.90 0.11 116.94 119.54 2kwq h PHE 776 Ca -0.26 -0.11 0.01 0.00 2.80 0.00 0.00 57.97 60.40 2kwq h PHE 776 Cb 1.25 -0.09 -0.18 0.00 2.20 0.00 0.00 35.95 39.12 2kwq h PHE 776 CO 0.75 0.69 0.32 -1.59 -0.60 0.00 0.00 178.31 177.89 2kwq s LYS 777 N -4.24 0.95 0.65 1.51 -2.85 -1.26 -4.34 119.74 110.16 2kwq s LYS 777 Ca -0.06 0.03 -0.13 0.00 -1.00 0.00 0.00 55.97 54.82 2kwq s LYS 777 Cb 0.13 0.44 -0.01 0.00 -2.06 0.00 0.00 37.83 36.33 2kwq s LYS 777 CO 0.79 -0.34 1.05 -1.25 0.10 0.00 0.00 175.35 175.70 2kwq s PRO 778 N -1.86 3.14 0.70 1.78 0.04 -1.26 -4.98 135.00 132.56 2kwq s PRO 778 Ca -0.05 1.02 -0.12 0.00 0.04 0.00 0.00 61.00 61.89 2kwq s PRO 778 Cb -0.00 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.53 2kwq s PRO 778 CO 0.01 -0.94 1.08 0.15 0.04 0.00 0.00 177.00 177.34 2kwq s LYS 779 N -4.71 2.76 0.43 4.56 1.02 -1.26 -4.89 119.74 117.65 2kwq s LYS 779 Ca 0.60 1.14 0.10 0.00 0.02 0.00 0.00 55.97 57.82 2kwq s LYS 779 Cb -0.14 -1.96 0.94 0.00 -0.52 0.00 0.00 37.83 36.14 2kwq s LYS 779 CO 0.48 -1.25 2.04 1.05 -0.92 0.00 0.00 175.35 176.75 2kwq h GLU 780 N -0.52 0.33 -0.39 1.68 9.09 -1.98 -0.03 114.58 122.75 2kwq h GLU 780 Ca -0.45 -0.03 -0.16 0.00 0.05 0.00 0.00 59.36 58.77 2kwq h GLU 780 Cb 1.22 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 28.25 2kwq h GLU 780 CO 0.55 0.28 -0.39 1.79 0.05 0.00 0.00 179.01 181.29 2kwq h THR 781 N 0.33 1.27 -0.53 -1.06 1.35 -1.98 -0.43 112.91 111.86 2kwq h THR 781 Ca 0.09 -1.56 -0.06 0.00 -0.55 0.00 0.00 66.41 64.33 2kwq h THR 781 Cb 0.07 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 2kwq h THR 781 CO -0.01 0.52 0.11 0.00 -0.25 0.00 0.00 175.52 175.89 2kwq h VAL 783 N 0.75 1.28 -0.33 0.00 2.07 -1.02 -0.91 116.25 118.09 2kwq h VAL 783 Ca 0.16 -1.18 -0.09 0.00 0.82 0.00 0.00 66.70 66.41 2kwq h VAL 783 Cb 0.37 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2kwq h VAL 783 CO 0.01 0.40 -0.15 -1.28 0.02 0.00 0.00 177.57 176.56 2kwq h SER 784 N 0.57 0.70 0.32 0.57 0.87 -0.96 -2.75 113.55 112.87 2kwq h SER 784 Ca 0.10 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2kwq h SER 784 Cb 0.62 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2kwq h SER 784 CO 0.04 0.94 0.00 -0.62 -0.53 0.00 0.00 176.83 176.66 2kwq n GLU 785 N -4.37 0.52 -3.53 2.24 -0.58 -0.14 -4.94 120.64 109.85 2kwq n GLU 785 Ca -0.03 0.03 -0.19 0.00 -0.42 0.00 0.00 57.16 56.56 2kwq n GLU 785 Cb 0.38 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.82 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 -1.19 -1.95 -4.72 1.62 3.02 -0.74 -5.00 115.26 106.31 2kwq n ASN 786 Ca 0.15 -0.71 -0.35 0.00 -0.03 0.00 0.00 54.58 53.64 2kwq n ASN 786 Cb 0.17 -4.70 0.09 0.00 -0.61 0.00 0.00 39.78 34.72 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 -3.48 2.01 0.03 3.10 3.76 -0.42 -5.03 115.29 115.26 2kwq s HIS 787 Ca 0.03 1.58 -0.23 0.00 -0.15 0.00 0.00 55.06 56.28 2kwq s HIS 787 Cb -0.01 -3.54 -0.06 0.00 1.11 0.00 0.00 32.58 30.09 2kwq s HIS 787 CO 0.76 -2.75 0.70 -0.51 -0.85 0.00 0.00 174.74 172.10 2kwq s ASP 788 N -1.85 7.13 0.04 1.40 1.01 -1.26 -4.93 116.67 118.21 2kwq s ASP 788 Ca 0.77 1.35 0.00 0.00 0.71 0.00 0.00 52.55 55.38 2kwq s ASP 788 Cb -0.32 -2.43 -0.03 0.00 1.01 0.00 0.00 42.92 41.15 2kwq s ASP 788 CO 0.44 0.06 -0.04 0.72 0.21 0.00 0.00 175.17 176.56 2kwq s PHE 789 N -0.16 0.48 -0.14 4.23 -0.12 -1.26 -0.55 117.98 120.45 2kwq s PHE 789 Ca 0.36 -0.72 -0.00 0.00 -0.05 0.00 0.00 56.93 56.51 2kwq s PHE 789 Cb -0.20 -0.32 -0.01 0.00 -0.63 0.00 0.00 43.02 41.86 2kwq s PHE 789 CO 0.21 -0.22 -0.13 -1.01 -0.05 0.00 0.00 175.22 174.03 2kwq s HIS 790 N -2.37 2.82 0.14 3.49 3.76 -0.28 -4.94 115.29 117.91 2kwq s HIS 790 Ca -0.05 -0.72 -0.11 0.00 -0.15 0.00 0.00 55.06 54.02 2kwq s HIS 790 Cb -0.03 -1.87 -0.06 0.00 1.11 0.00 0.00 32.58 31.72 2kwq s HIS 790 CO -0.04 -0.27 0.49 -1.58 -0.85 0.00 0.00 174.74 172.49 2kwq s TRP 791 N 0.50 3.56 0.30 1.40 0.52 -1.26 -0.88 118.94 123.08 2kwq s TRP 791 Ca -0.09 0.91 -0.19 0.00 0.02 0.00 0.00 56.10 56.76 2kwq s TRP 791 Cb -0.16 -2.26 0.06 0.00 -1.15 0.00 0.00 33.47 29.97 2kwq s TRP 791 CO 0.04 0.43 0.89 -3.38 0.02 0.00 0.00 176.95 174.95 2kwq s HIS 792 N -1.51 0.09 0.24 -1.98 -3.43 -0.35 -4.99 115.29 103.35 2kwq s HIS 792 Ca 0.38 -0.65 -0.03 0.00 -0.80 0.00 0.00 55.06 53.96 2kwq s HIS 792 Cb -0.14 0.78 -0.05 0.00 -1.43 0.00 0.00 32.58 31.74 2kwq s HIS 792 CO 0.19 -1.30 0.46 -0.80 -2.00 0.00 0.00 174.74 171.30 2kwq s ASN 793 N -3.20 6.42 0.00 7.38 -0.87 -1.26 -0.21 114.94 123.21 2kwq s ASN 793 Ca 0.18 0.56 0.00 0.00 -1.57 0.00 0.00 52.86 52.02 2kwq s ASN 793 Cb -0.04 -2.08 0.00 0.00 -0.02 0.00 0.00 41.25 39.11 2kwq s ASN 793 CO 0.09 -0.11 0.00 0.61 -2.57 0.00 0.00 177.10 175.12 2kwq n GLY 794 N -0.74 3.00 3.43 0.66 0.00 -0.29 -4.85 105.19 106.41 2kwq n GLY 794 Ca -0.03 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.54 -0.00 -0.09 1.61 0.11 -1.26 -1.32 120.40 116.91 2kwq s VAL 795 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 2kwq s VAL 795 Cb 0.00 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 34.07 2kwq s VAL 795 CO 0.00 0.00 -0.08 -1.59 -3.33 0.00 0.00 175.10 170.10 2kwq s LYS 796 N 0.37 2.97 -0.03 1.54 -2.85 -1.21 -4.64 119.74 115.89 2kwq s LYS 796 Ca -0.01 -0.58 0.00 0.00 -1.00 0.00 0.00 55.97 54.38 2kwq s LYS 796 Cb -0.04 -2.62 -0.04 0.00 -2.06 0.00 0.00 37.83 33.07 2kwq s LYS 796 CO -0.00 0.52 0.01 1.03 0.10 0.00 0.00 175.35 177.00 2kwq s ARG 797 N -0.43 2.87 0.04 1.78 1.81 0.05 -3.75 118.95 121.31 2kwq s ARG 797 Ca 0.06 -0.54 0.01 0.00 -1.72 0.00 0.00 55.73 53.54 2kwq s ARG 797 Cb -0.12 -2.72 -0.04 0.00 -0.45 0.00 0.00 34.95 31.62 2kwq s ARG 797 CO 0.02 0.65 0.10 -0.06 -0.68 0.00 0.00 175.30 175.33 2kwq s PHE 798 N -1.03 3.27 0.01 -0.53 0.08 -1.22 -1.35 117.98 117.21 2kwq s PHE 798 Ca 0.18 0.16 0.02 0.00 0.12 0.00 0.00 56.93 57.40 2kwq s PHE 798 Cb -0.11 -1.69 -0.01 0.00 -0.57 0.00 0.00 43.02 40.63 2kwq s PHE 798 CO 0.08 0.54 -0.06 -0.06 -0.10 0.00 0.00 175.22 175.62 2kwq s PHE 799 N -1.32 0.54 0.00 0.36 0.40 -0.12 -0.40 117.98 117.45 2kwq s PHE 799 Ca 0.27 -0.23 0.08 0.00 -0.60 0.00 0.00 56.93 56.45 2kwq s PHE 799 Cb -0.12 -0.34 -0.02 0.00 0.51 0.00 0.00 43.02 43.05 2kwq s PHE 799 CO 0.19 -0.03 -0.25 0.21 0.70 0.00 0.00 175.22 176.04 2kwq s LYS 800 N -0.63 1.92 0.13 0.44 2.20 -0.19 -1.47 119.74 122.13 2kwq s LYS 800 Ca -0.02 -0.96 -0.05 0.00 -0.36 0.00 0.00 55.97 54.58 2kwq s LYS 800 Cb -0.05 -1.93 -0.06 0.00 -1.51 0.00 0.00 37.83 34.28 2kwq s LYS 800 CO 0.00 0.52 0.38 0.00 -0.36 0.00 0.00 175.35 175.89 2kwq h PRO 802 N 2.96 0.00 0.00 0.00 0.13 -1.88 -1.17 132.00 132.04 2kwq h PRO 802 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.72 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.49 2kwq n GLY 804 N 0.84 1.43 3.72 0.00 0.00 -0.44 -5.11 105.19 105.62 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 -1.81 4.10 0.18 1.61 2.47 -1.26 -4.77 114.94 115.46 2kwq s ASN 805 Ca 0.00 2.42 0.06 0.00 0.42 0.00 0.00 52.86 55.76 2kwq s ASN 805 Cb 0.00 -2.60 -0.05 0.00 -1.45 0.00 0.00 41.25 37.16 2kwq s ASN 805 CO 0.00 -2.33 -0.12 -0.13 -3.72 0.00 0.00 177.10 170.80 2kwq s ARG 806 N -3.86 1.20 0.37 0.43 1.81 -1.26 -1.00 118.95 116.65 2kwq s ARG 806 Ca 0.76 -1.53 -0.14 0.00 -1.72 0.00 0.00 55.73 53.10 2kwq s ARG 806 Cb -0.31 -0.89 0.05 0.00 -0.45 0.00 0.00 34.95 33.35 2kwq s ARG 806 CO 0.46 0.13 0.75 -0.08 -0.68 0.00 0.00 175.30 175.87 2kwq s THR 807 N -3.14 0.00 0.00 0.02 -1.32 -0.54 -5.00 115.64 105.66 2kwq s THR 807 Ca 0.20 -1.08 -0.02 0.00 -1.21 0.00 0.00 61.69 59.58 2kwq s THR 807 Cb 0.01 -2.80 -0.01 0.00 -1.51 0.00 0.00 72.50 68.19 2kwq s THR 807 CO 0.04 0.00 0.03 -0.63 -2.21 0.00 0.00 174.62 171.85 2kwq s ILE 808 N -2.49 0.07 0.05 5.08 1.01 -1.26 -0.94 121.20 122.71 2kwq s ILE 808 Ca 0.17 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 2kwq s ILE 808 Cb -0.05 -0.23 -0.03 0.00 0.01 0.00 0.00 42.46 42.17 2kwq s ILE 808 CO 0.12 -0.30 0.02 -0.55 0.00 0.00 0.00 174.94 174.23 2kwq s SER 809 N -0.93 0.39 0.16 3.58 0.15 -0.46 -4.92 113.70 111.67 2kwq s SER 809 Ca -0.10 -0.88 0.26 0.00 0.70 0.00 0.00 55.95 55.93 2kwq s SER 809 Cb -0.06 0.22 0.70 0.00 -1.71 0.00 0.00 66.02 65.17 2kwq s SER 809 CO -0.00 -0.60 1.64 0.18 1.20 0.00 0.00 173.24 175.66 2kwq n LEU 810 N 0.22 0.70 -4.99 3.45 4.77 -1.26 -0.77 117.00 119.12 2kwq n LEU 810 Ca -0.15 0.45 -0.18 0.00 -0.03 0.00 0.00 56.01 56.10 2kwq n LEU 810 Cb 0.61 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2kwq n LEU 810 CO 0.26 -0.12 0.11 -0.62 -1.33 0.00 0.00 177.39 175.70 2kwq s ASP 811 N -4.25 5.64 0.23 -1.43 2.15 -1.26 -4.81 116.67 112.94 2kwq s ASP 811 Ca 0.10 -0.42 0.16 0.00 0.43 0.00 0.00 52.55 52.82 2kwq s ASP 811 Cb 0.13 -0.76 0.87 0.00 -0.30 0.00 0.00 42.92 42.86 2kwq s ASP 811 CO 0.63 -0.68 1.49 -2.11 -0.17 0.00 0.00 175.17 174.33 2kwq n ARG 812 N -1.77 0.10 -3.63 4.34 1.85 -1.26 -4.66 116.66 111.64 2kwq n ARG 812 Ca 0.06 0.59 -0.13 0.00 -1.00 0.00 0.00 57.85 57.38 2kwq n ARG 812 Cb 0.59 -1.84 -0.07 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 -4.11 -0.73 0.65 2.89 2.96 -1.26 -4.94 118.68 114.14 2kwq s LEU 813 Ca -0.01 1.38 -0.13 0.00 -0.22 0.00 0.00 54.13 55.14 2kwq s LEU 813 Cb 0.05 2.38 -0.01 0.00 0.50 0.00 0.00 46.19 49.11 2kwq s LEU 813 CO 0.15 -0.24 1.06 -2.16 -1.32 0.00 0.00 176.35 173.84 2kwq s PRO 814 N 0.50 3.12 0.07 0.98 0.04 -1.26 -5.00 135.00 133.44 2kwq s PRO 814 Ca -0.01 1.06 0.14 0.00 0.04 0.00 0.00 61.00 62.24 2kwq s PRO 814 Cb -0.05 -2.01 -0.14 0.00 0.04 0.00 0.00 34.50 32.34 2kwq s PRO 814 CO -0.02 -0.96 0.92 1.57 0.04 0.00 0.00 177.00 178.55 2kwq h LYS 815 N -0.18 0.00 -6.95 4.56 2.10 -2.00 -3.49 116.57 110.61 2kwq h LYS 815 Ca -0.45 0.00 -0.46 0.00 -2.00 0.00 0.00 60.65 57.74 2kwq h LYS 815 Cb 1.21 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.52 2kwq h LYS 815 CO 0.57 0.46 0.31 -1.59 -2.00 0.00 0.00 179.45 177.20 2kwq s LYS 816 N -2.81 4.32 0.60 0.07 0.00 -1.26 -5.08 119.74 115.58 2kwq s LYS 816 Ca -0.02 1.13 -0.09 0.00 0.00 0.00 0.00 55.97 56.99 2kwq s LYS 816 Cb 0.08 -2.43 -0.03 0.00 0.00 0.00 0.00 37.83 35.46 2kwq s LYS 816 CO 0.81 0.10 0.98 -1.01 0.00 0.00 0.00 175.35 176.23 2kwq s HIS 817 N -1.95 3.54 0.36 1.78 3.76 -1.26 -4.94 115.29 116.57 2kwq s HIS 817 Ca 0.57 1.10 -0.28 0.00 -0.15 0.00 0.00 55.06 56.29 2kwq s HIS 817 Cb -0.12 -2.68 -0.11 0.00 1.11 0.00 0.00 32.58 30.77 2kwq s HIS 817 CO 0.17 -0.68 1.47 0.00 -0.85 0.00 0.00 174.74 174.85 2kwq h SER 819 N 3.26 0.00 0.00 0.00 0.02 -1.94 -3.05 113.55 111.84 2kwq h SER 819 Ca -0.50 -0.01 -0.30 0.00 -0.84 0.00 0.00 61.79 60.14 2kwq h SER 819 Cb 1.24 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.72 2kwq h SER 819 CO 0.66 0.00 -2.13 0.41 -1.14 0.00 0.00 176.83 174.63 2kwq n THR 820 N -2.64 1.14 0.00 -2.27 -1.04 -1.26 -4.80 114.28 103.41 2kwq n THR 820 Ca 0.05 -0.52 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 2kwq n THR 820 Cb 0.48 -1.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 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 0.78 0.69 0.09 0.00 0.00 -1.15 -5.02 105.19 100.58 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 -3.67 0.99 -0.00 -1.26 -4.42 117.00 108.64 2kwq n LEU 823 Ca 0.00 -0.05 -0.30 0.00 -0.00 0.00 0.00 56.01 55.67 2kwq n LEU 823 Cb 0.00 -0.02 -0.14 0.00 -0.00 0.00 0.00 43.42 43.26 2kwq n LEU 823 CO 0.00 -0.51 -0.30 0.12 -0.00 0.00 0.00 177.39 176.69 2kwq s PHE 824 N -0.11 1.51 -0.10 1.47 5.36 -1.26 -1.00 117.98 123.85 2kwq s PHE 824 Ca 0.02 -1.84 0.24 0.00 -0.96 0.00 0.00 56.93 54.38 2kwq s PHE 824 Cb -0.00 -1.57 0.44 0.00 -0.34 0.00 0.00 43.02 41.55 2kwq s PHE 824 CO 0.01 -0.84 1.15 1.63 -1.46 0.00 0.00 175.22 175.71 2kwq n LYS 825 N 4.38 0.62 -1.80 10.12 4.76 -1.26 -5.10 118.16 129.89 2kwq n LYS 825 Ca 0.03 -2.47 -0.42 0.00 -2.87 0.00 0.00 58.31 52.58 2kwq n LYS 825 Cb 0.39 -0.53 -0.02 0.00 -1.84 0.00 0.00 35.03 33.03 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 -1.31 2.80 -0.06 2.13 0.52 -1.26 -4.45 118.94 117.31 2kwq s TRP 826 Ca 0.30 0.76 0.06 0.00 0.02 0.00 0.00 56.10 57.24 2kwq s TRP 826 Cb 0.35 -4.05 -0.01 0.00 -1.15 0.00 0.00 33.47 28.61 2kwq s TRP 826 CO -0.12 -3.58 -0.24 -2.00 0.02 0.00 0.00 176.95 171.03 2kwq s GLU 827 N -0.30 2.55 0.17 4.98 2.56 -0.15 -4.96 118.70 123.55 2kwq s GLU 827 Ca 0.64 -0.90 -0.31 0.00 0.00 0.00 0.00 54.97 54.41 2kwq s GLU 827 Cb -0.47 -2.17 -0.09 0.00 2.00 0.00 0.00 34.13 33.39 2kwq s GLU 827 CO 0.46 0.40 1.46 0.50 -0.56 0.00 0.00 175.26 177.51 2kwq s ARG 828 N -0.20 4.28 0.28 4.30 3.52 -1.26 -1.03 118.95 128.84 2kwq s ARG 828 Ca -0.03 2.22 0.02 0.00 -0.13 0.00 0.00 55.73 57.82 2kwq s ARG 828 Cb -0.13 -3.18 -0.05 0.00 -1.56 0.00 0.00 34.95 30.02 2kwq s ARG 828 CO 0.03 -0.48 0.08 0.14 -0.81 0.00 0.00 175.30 174.26 2kwq s VAL 829 N 0.79 0.78 0.22 7.11 -7.23 0.46 -4.90 120.40 117.63 2kwq s VAL 829 Ca 0.65 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.86 2kwq s VAL 829 Cb -0.40 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.84 2kwq s VAL 829 CO 0.34 -0.03 0.31 -0.83 -0.31 0.00 0.00 175.10 174.58 2kwq s GLY 830 N -3.36 1.38 -0.20 2.32 0.00 -1.26 -3.44 107.32 102.75 2kwq s GLY 830 Ca 0.37 -1.21 -0.27 0.00 0.00 0.00 0.00 44.72 43.61 2kwq s GLY 830 CO 0.14 -1.23 0.79 -0.29 0.00 0.00 0.00 173.10 172.51 2kwq s MET 831 N -3.73 0.82 0.00 2.90 0.00 -0.12 -4.97 119.30 114.19 2kwq s MET 831 Ca 0.34 0.66 0.00 0.00 0.00 0.00 0.00 55.69 56.69 2kwq s MET 831 Cb -0.09 0.39 0.00 0.00 0.00 0.00 0.00 34.83 35.13 2kwq s MET 831 CO 0.28 -0.16 0.00 1.47 0.00 0.00 0.00 175.02 176.61 2kwq n LEU 832 N 1.97 0.00 0.00 4.11 -0.00 -1.26 -4.07 117.00 117.75 2kwq n LEU 832 Ca -0.15 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 55.94 2kwq n LEU 832 Cb 0.56 0.00 0.41 0.00 -0.00 0.00 0.00 43.42 44.39 2kwq n LEU 832 CO 0.10 0.00 0.69 0.29 -0.00 0.00 0.00 177.39 178.46 2kwq n LYS 833 N 0.00 0.33 -2.89 1.47 4.76 -1.26 -4.74 118.16 115.83 2kwq n LYS 833 Ca 0.00 0.08 -0.33 0.00 -2.87 0.00 0.00 58.31 55.19 2kwq n LYS 833 Cb 0.00 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.62 2kwq n LYS 833 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2kwq s GLU 834 N -2.33 4.23 0.00 1.97 -1.05 -1.26 -4.73 118.70 115.53 2kwq s GLU 834 Ca 0.18 1.04 0.00 0.00 -0.15 0.00 0.00 54.97 56.04 2kwq s GLU 834 Cb 0.10 -2.33 0.00 0.00 -0.44 0.00 0.00 34.13 31.46 2kwq s GLU 834 CO 0.21 0.06 0.00 1.63 0.95 0.00 0.00 175.26 178.11 2kwq n LYS 835 N -0.39 0.00 0.00 -4.83 4.76 -1.26 -4.81 118.16 111.63 2kwq n LYS 835 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2kwq n LYS 835 Cb 0.53 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.72 2kwq n LYS 835 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2kwq n THR 836 N 0.00 0.00 -4.47 -0.18 -2.24 -1.26 -4.78 114.28 101.35 2kwq n THR 836 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 2kwq n THR 836 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 2kwq n THR 836 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2kwq s GLY 837 N 0.00 2.52 0.44 3.38 0.00 -1.26 -5.07 107.32 107.33 2kwq s GLY 837 Ca 0.00 -1.41 0.24 0.00 0.00 0.00 0.00 44.72 43.56 2kwq s GLY 837 CO 0.00 -1.76 1.82 -0.56 0.00 0.00 0.00 173.10 172.60 2kwq h PRO 838 N 1.88 0.00 -3.73 2.90 0.13 -2.01 -3.46 132.00 127.71 2kwq h PRO 838 Ca -0.34 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.71 2kwq h PRO 838 Cb 1.27 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.26 2kwq h PRO 838 CO 0.54 0.21 -0.31 -1.59 -0.23 0.00 0.00 178.00 176.62 2kwq s LYS 839 N -3.62 0.90 0.21 0.86 -2.85 -1.26 -5.16 119.74 108.82 2kwq s LYS 839 Ca 0.01 -0.92 -0.16 0.00 -1.00 0.00 0.00 55.97 53.90 2kwq s LYS 839 Cb 0.10 0.37 -0.08 0.00 -2.06 0.00 0.00 37.83 36.16 2kwq s LYS 839 CO 0.63 -0.30 0.65 -1.17 0.10 0.00 0.00 175.35 175.26 2kwq s LEU 840 N -2.85 4.30 0.00 2.77 0.20 -1.26 -4.98 118.68 116.85 2kwq s LEU 840 Ca 0.05 1.25 0.00 0.00 0.69 0.00 0.00 54.13 56.12 2kwq s LEU 840 Cb 0.04 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.27 2kwq s LEU 840 CO -0.11 0.02 0.00 0.61 -0.29 0.00 0.00 176.35 176.58 2kwq n GLY 841 N 0.56 -0.70 0.00 7.98 0.00 -1.26 -5.21 105.19 106.56 2kwq n GLY 841 Ca -0.03 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.27 2kwq n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93