#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 0.13 -2.06 -2.70 132.00 128.98 2kwq h PRO -3 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2kwq h PRO -3 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kwq h PRO -3 CO 0.00 0.07 -0.04 1.98 -0.23 0.00 0.00 178.00 179.78 2kwq h MET -2 N 0.00 0.00 -0.34 0.86 4.05 -2.04 -2.10 114.93 115.36 2kwq h MET -2 Ca -0.00 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.29 2kwq h MET -2 Cb 0.53 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 2kwq h MET -2 CO 0.01 0.04 -0.32 0.78 0.23 0.00 0.00 176.91 177.65 2kwq h GLY -1 N 0.17 0.79 2.00 1.39 0.00 -1.90 -2.42 103.07 103.10 2kwq h GLY -1 Ca -0.00 -0.74 -0.07 0.00 0.00 0.00 0.00 47.33 46.53 2kwq h GLY -1 CO 0.00 0.67 -0.32 -0.33 0.00 0.00 0.00 176.54 176.56 2kwq h MET 755 N 0.62 0.00 -0.00 4.80 2.86 -1.56 -3.12 114.93 118.52 2kwq h MET 755 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2kwq h MET 755 Cb 0.84 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2kwq h MET 755 CO 0.07 0.32 -0.23 0.94 1.06 0.00 0.00 176.91 179.07 2kwq n GLN 756 N -3.34 0.06 -1.40 1.72 7.27 -0.85 -4.96 117.38 115.89 2kwq n GLN 756 Ca 0.01 -0.02 -0.29 0.00 0.07 0.00 0.00 57.00 56.77 2kwq n GLN 756 Cb 0.54 -1.50 0.18 0.00 2.41 0.00 0.00 30.24 31.87 2kwq n GLN 756 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2kwq s SER 757 N -2.95 2.58 0.33 1.69 0.15 -0.92 -5.05 113.70 109.52 2kwq s SER 757 Ca 0.14 0.82 -0.20 0.00 0.70 0.00 0.00 55.95 57.41 2kwq s SER 757 Cb 0.18 -1.25 -0.10 0.00 -1.71 0.00 0.00 66.02 63.15 2kwq s SER 757 CO 0.60 -3.11 0.84 -0.63 1.20 0.00 0.00 173.24 172.14 2kwq s ILE 758 N -3.23 4.47 0.54 6.45 1.09 -1.26 -4.99 121.20 124.26 2kwq s ILE 758 Ca 0.67 1.37 0.22 0.00 -1.10 0.00 0.00 60.65 61.81 2kwq s ILE 758 Cb -0.13 -3.74 0.30 0.00 -1.06 0.00 0.00 42.46 37.83 2kwq s ILE 758 CO 0.55 -0.08 2.18 0.08 -0.10 0.00 0.00 174.94 177.57 2kwq h ARG 759 N 2.58 0.00 -6.59 2.79 -0.00 -1.97 -3.43 114.38 107.76 2kwq h ARG 759 Ca -0.48 0.00 -0.53 0.00 -0.00 0.00 0.00 59.98 58.97 2kwq h ARG 759 Cb 1.18 0.00 0.04 0.00 -0.00 0.00 0.00 29.97 31.19 2kwq h ARG 759 CO 0.64 0.02 0.81 -1.83 -0.00 0.00 0.00 179.97 179.61 2kwq s GLU 760 N -4.83 4.26 -0.03 0.08 -1.05 -1.26 -4.85 118.70 111.01 2kwq s GLU 760 Ca -0.05 2.25 -0.04 0.00 -0.15 0.00 0.00 54.97 56.99 2kwq s GLU 760 Cb 0.16 -3.18 0.01 0.00 -0.44 0.00 0.00 34.13 30.67 2kwq s GLU 760 CO 0.62 -0.53 0.10 1.14 0.95 0.00 0.00 175.26 177.55 2kwq s GLN 761 N 1.02 0.16 0.41 -4.83 -2.07 -1.12 -4.94 119.66 108.29 2kwq s GLN 761 Ca 0.67 0.07 -0.26 0.00 -1.82 0.00 0.00 55.36 54.03 2kwq s GLN 761 Cb -0.41 0.07 -0.08 0.00 -1.09 0.00 0.00 33.01 31.50 2kwq s GLN 761 CO 0.32 -0.02 1.28 -1.12 -1.32 0.00 0.00 175.29 174.42 2kwq s SER 762 N -0.12 6.28 0.13 12.60 0.01 -1.26 -2.68 113.70 128.65 2kwq s SER 762 Ca -0.02 2.60 -0.14 0.00 1.31 0.00 0.00 55.95 59.71 2kwq s SER 762 Cb -0.02 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.60 2kwq s SER 762 CO 0.00 -0.87 0.36 0.00 0.41 0.00 0.00 173.24 173.15 2kwq s ARG 764 N -3.85 4.82 0.22 0.00 3.52 -1.26 -0.90 118.95 121.50 2kwq s ARG 764 Ca 0.06 1.54 -0.04 0.00 -0.13 0.00 0.00 55.73 57.16 2kwq s ARG 764 Cb 0.02 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 30.12 2kwq s ARG 764 CO -0.09 0.47 0.23 0.14 -0.81 0.00 0.00 175.30 175.24 2kwq s VAL 765 N -1.18 0.00 -0.13 7.11 -7.23 0.81 -4.77 120.40 115.01 2kwq s VAL 765 Ca 0.42 -1.85 -0.14 0.00 -1.81 0.00 0.00 61.98 58.60 2kwq s VAL 765 Cb -0.27 -2.43 0.04 0.00 0.56 0.00 0.00 36.38 34.28 2kwq s VAL 765 CO 0.33 0.00 0.38 0.54 -0.31 0.00 0.00 175.10 176.04 2kwq s VAL 766 N -4.09 0.00 -0.20 1.32 0.11 0.68 -1.01 120.40 117.21 2kwq s VAL 766 Ca 0.35 -0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.34 2kwq s VAL 766 Cb 0.05 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 2kwq s VAL 766 CO 0.12 -0.02 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.87 2kwq s THR 767 N 0.06 2.84 -0.12 5.04 2.01 -0.56 -1.27 115.64 123.63 2kwq s THR 767 Ca -0.01 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.02 2kwq s THR 767 Cb -0.03 -2.26 -0.01 0.00 0.01 0.00 0.00 72.50 70.21 2kwq s THR 767 CO 0.01 0.47 1.06 0.00 -0.69 0.00 0.00 174.62 175.47 2kwq h LYS 769 N 7.26 0.00 0.06 0.00 1.79 -1.44 -0.77 116.57 123.47 2kwq h LYS 769 Ca -0.30 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.08 2kwq h LYS 769 Cb 1.13 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.79 2kwq h LYS 769 CO 0.88 0.00 -0.39 1.15 -1.08 0.00 0.00 179.45 180.01 2kwq h THR 770 N 0.00 1.63 0.00 -0.16 2.02 -1.94 -3.38 112.91 111.08 2kwq h THR 770 Ca 0.00 -2.34 -0.01 0.00 0.77 0.00 0.00 66.41 64.83 2kwq h THR 770 Cb 0.95 3.18 -0.00 0.00 -1.74 0.00 0.00 68.15 70.53 2kwq h THR 770 CO 0.00 0.64 -1.45 0.00 0.37 0.00 0.00 175.52 175.08 2kwq n LYS 772 N -2.51 -0.10 -4.03 0.00 5.02 -0.30 -5.05 118.16 111.19 2kwq n LYS 772 Ca -0.02 0.54 -0.24 0.00 -2.02 0.00 0.00 58.31 56.57 2kwq n LYS 772 Cb 0.57 -4.11 -0.04 0.00 -0.02 0.00 0.00 35.03 31.44 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 -2.06 3.29 -0.08 2.13 -0.85 -1.24 -4.97 117.35 113.58 2kwq s TYR 773 Ca 0.00 -0.01 0.05 0.00 -0.52 0.00 0.00 57.07 56.58 2kwq s TYR 773 Cb 0.00 -1.53 -0.00 0.00 0.38 0.00 0.00 41.96 40.81 2kwq s TYR 773 CO 0.00 0.50 -0.24 0.99 -1.52 0.00 0.00 175.55 175.28 2kwq s THR 774 N -1.91 1.99 0.23 -3.49 2.01 -1.26 -2.36 115.64 110.84 2kwq s THR 774 Ca 0.33 -1.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 2kwq s THR 774 Cb -0.09 -1.71 0.03 0.00 0.01 0.00 0.00 72.50 70.74 2kwq s THR 774 CO 0.26 0.55 0.45 1.41 -0.69 0.00 0.00 174.62 176.60 2kwq n HIS 775 N 3.32 -1.72 0.16 4.92 8.25 -0.40 -4.96 115.22 124.79 2kwq n HIS 775 Ca -0.19 -1.15 0.02 0.00 -0.26 0.00 0.00 57.72 56.14 2kwq n HIS 775 Cb 0.53 0.53 0.26 0.00 1.12 0.00 0.00 29.99 32.42 2kwq n HIS 775 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 2kwq h PHE 776 N 1.59 0.00 -2.65 4.41 0.04 -1.86 0.19 116.94 118.67 2kwq h PHE 776 Ca -0.20 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.52 2kwq h PHE 776 Cb 0.74 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 38.72 2kwq h PHE 776 CO 0.00 0.50 0.09 -1.59 -0.60 0.00 0.00 178.31 176.71 2kwq s LYS 777 N -3.71 1.07 0.60 1.51 -2.85 -1.26 -4.39 119.74 110.70 2kwq s LYS 777 Ca -0.01 -0.17 -0.15 0.00 -1.00 0.00 0.00 55.97 54.64 2kwq s LYS 777 Cb 0.12 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.35 2kwq s LYS 777 CO 0.73 -0.39 1.05 -1.25 0.10 0.00 0.00 175.35 175.59 2kwq s PRO 778 N -2.36 3.33 0.74 1.78 0.04 -1.26 -4.95 135.00 132.31 2kwq s PRO 778 Ca -0.06 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.04 2kwq s PRO 778 Cb -0.01 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.53 2kwq s PRO 778 CO -0.01 -0.80 1.09 0.15 0.04 0.00 0.00 177.00 177.47 2kwq s LYS 779 N -4.16 2.50 0.39 4.56 1.02 -1.26 -4.87 119.74 117.92 2kwq s LYS 779 Ca 0.63 1.15 0.07 0.00 0.02 0.00 0.00 55.97 57.84 2kwq s LYS 779 Cb -0.15 -1.93 0.79 0.00 -0.52 0.00 0.00 37.83 36.02 2kwq s LYS 779 CO 0.38 -1.45 2.00 0.93 -0.92 0.00 0.00 175.35 176.29 2kwq h GLU 780 N -0.85 0.49 -0.50 1.68 4.39 -1.99 -0.46 114.58 117.34 2kwq h GLU 780 Ca -0.44 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.13 2kwq h GLU 780 Cb 1.23 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.76 2kwq h GLU 780 CO 0.53 0.40 0.05 1.79 -1.16 0.00 0.00 179.01 180.62 2kwq h THR 781 N 0.50 1.26 -0.61 1.13 1.35 -1.98 -0.23 112.91 114.32 2kwq h THR 781 Ca 0.12 -1.00 -0.07 0.00 -0.55 0.00 0.00 66.41 64.91 2kwq h THR 781 Cb 0.08 0.92 -0.02 0.00 -1.73 0.00 0.00 68.15 67.40 2kwq h THR 781 CO -0.01 0.36 0.12 0.00 -0.25 0.00 0.00 175.52 175.73 2kwq h VAL 783 N 0.91 1.29 -0.20 0.00 2.07 -1.08 -0.97 116.25 118.28 2kwq h VAL 783 Ca 0.19 -1.07 -0.10 0.00 0.82 0.00 0.00 66.70 66.53 2kwq h VAL 783 Cb 0.40 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2kwq h VAL 783 CO 0.01 0.33 -0.28 -1.28 0.02 0.00 0.00 177.57 176.37 2kwq h SER 784 N 0.18 0.59 0.53 0.57 0.87 -0.91 -2.99 113.55 112.38 2kwq h SER 784 Ca 0.06 -0.52 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2kwq h SER 784 Cb 0.53 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2kwq h SER 784 CO 0.02 0.99 -0.01 -0.62 -0.53 0.00 0.00 176.83 176.68 2kwq n GLU 785 N -4.36 0.48 -2.98 2.24 -0.58 -0.04 -4.95 120.64 110.44 2kwq n GLU 785 Ca -0.06 -0.02 -0.11 0.00 -0.42 0.00 0.00 57.16 56.55 2kwq n GLU 785 Cb 0.46 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.87 2kwq n GLU 785 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2kwq n ASN 786 N -1.25 -3.74 -4.72 1.62 2.85 -0.64 -5.01 115.26 104.38 2kwq n ASN 786 Ca 0.15 -0.28 -0.35 0.00 -0.11 0.00 0.00 54.58 53.98 2kwq n ASN 786 Cb 0.24 -2.82 0.09 0.00 1.24 0.00 0.00 39.78 38.53 2kwq n ASN 786 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2kwq s HIS 787 N -3.17 2.00 -0.27 1.20 3.76 -0.46 -4.99 115.29 113.35 2kwq s HIS 787 Ca 0.23 1.57 -0.25 0.00 -0.15 0.00 0.00 55.06 56.46 2kwq s HIS 787 Cb -0.10 -3.58 0.00 0.00 1.11 0.00 0.00 32.58 30.01 2kwq s HIS 787 CO 0.37 -2.82 0.87 -0.51 -0.85 0.00 0.00 174.74 171.80 2kwq s ASP 788 N -1.76 6.81 0.12 1.40 1.01 -1.26 -4.93 116.67 118.06 2kwq s ASP 788 Ca 0.78 0.93 0.08 0.00 0.71 0.00 0.00 52.55 55.05 2kwq s ASP 788 Cb -0.33 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.12 2kwq s ASP 788 CO 0.44 -0.62 -0.19 0.72 0.21 0.00 0.00 175.17 175.73 2kwq s PHE 789 N 3.03 1.73 -0.23 4.23 -0.12 -1.26 -1.09 117.98 124.27 2kwq s PHE 789 Ca 0.36 -0.44 -0.03 0.00 -0.05 0.00 0.00 56.93 56.77 2kwq s PHE 789 Cb -0.14 -0.92 0.00 0.00 -0.63 0.00 0.00 43.02 41.32 2kwq s PHE 789 CO 0.10 0.22 -0.05 -1.01 -0.05 0.00 0.00 175.22 174.43 2kwq s HIS 790 N -1.45 2.98 0.34 3.49 3.76 -0.18 -4.97 115.29 119.26 2kwq s HIS 790 Ca 0.08 -1.11 -0.20 0.00 -0.15 0.00 0.00 55.06 53.69 2kwq s HIS 790 Cb -0.09 -2.09 -0.10 0.00 1.11 0.00 0.00 32.58 31.41 2kwq s HIS 790 CO 0.05 -0.60 0.84 -1.58 -0.85 0.00 0.00 174.74 172.59 2kwq s TRP 791 N 1.44 3.46 0.21 1.40 0.52 -1.26 -1.50 118.94 123.20 2kwq s TRP 791 Ca 0.05 1.47 -0.11 0.00 0.02 0.00 0.00 56.10 57.53 2kwq s TRP 791 Cb -0.15 -2.72 0.04 0.00 -1.15 0.00 0.00 33.47 29.50 2kwq s TRP 791 CO -0.04 0.09 0.56 -2.39 0.02 0.00 0.00 176.95 175.20 2kwq n HIS 792 N -0.10 -1.63 -3.91 -1.98 1.44 -0.18 -4.98 115.22 103.89 2kwq n HIS 792 Ca 0.03 -1.08 -0.32 0.00 -2.01 0.00 0.00 57.72 54.35 2kwq n HIS 792 Cb 0.52 0.54 -0.04 0.00 0.12 0.00 0.00 29.99 31.13 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 -2.41 6.37 0.00 4.39 -0.87 -1.26 -0.14 114.94 121.02 2kwq s ASN 793 Ca 0.12 0.31 0.00 0.00 -1.57 0.00 0.00 52.86 51.72 2kwq s ASN 793 Cb -0.03 -1.98 0.00 0.00 -0.02 0.00 0.00 41.25 39.22 2kwq s ASN 793 CO 0.06 0.21 0.00 0.61 -2.57 0.00 0.00 177.10 175.41 2kwq n GLY 794 N 0.57 3.81 3.24 0.66 0.00 -0.08 -4.86 105.19 108.53 2kwq n GLY 794 Ca -0.07 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.72 0.01 0.20 1.61 0.11 -1.26 -1.40 120.40 117.94 2kwq s VAL 795 Ca 0.00 -0.07 0.11 0.00 -2.93 0.00 0.00 61.98 59.08 2kwq s VAL 795 Cb 0.00 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 2kwq s VAL 795 CO 0.00 -0.04 -0.23 -1.59 -3.33 0.00 0.00 175.10 169.91 2kwq s LYS 796 N -0.06 1.48 0.10 1.54 -2.85 -1.09 -4.51 119.74 114.35 2kwq s LYS 796 Ca -0.02 -1.52 0.04 0.00 -1.00 0.00 0.00 55.97 53.46 2kwq s LYS 796 Cb -0.03 -1.74 -0.04 0.00 -2.06 0.00 0.00 37.83 33.97 2kwq s LYS 796 CO 0.01 0.37 -0.11 -0.98 0.10 0.00 0.00 175.35 174.74 2kwq s ARG 797 N -2.77 0.88 -0.05 1.78 3.03 -0.16 -2.79 118.95 118.86 2kwq s ARG 797 Ca 0.21 -1.18 0.05 0.00 2.03 0.00 0.00 55.73 56.84 2kwq s ARG 797 Cb -0.07 -0.58 -0.02 0.00 -1.03 0.00 0.00 34.95 33.25 2kwq s ARG 797 CO 0.10 0.09 -0.20 -0.06 -1.13 0.00 0.00 175.30 174.10 2kwq s PHE 798 N -2.44 2.55 0.05 5.89 0.08 -1.26 -1.58 117.98 121.26 2kwq s PHE 798 Ca 0.06 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 56.71 2kwq s PHE 798 Cb -0.03 -1.61 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 2kwq s PHE 798 CO 0.00 -0.02 -0.08 -0.06 -0.10 0.00 0.00 175.22 174.97 2kwq s PHE 799 N -0.45 0.72 0.04 0.36 0.40 -0.38 -0.73 117.98 117.94 2kwq s PHE 799 Ca 0.05 -0.52 0.05 0.00 -0.60 0.00 0.00 56.93 55.91 2kwq s PHE 799 Cb -0.12 -0.43 -0.02 0.00 0.51 0.00 0.00 43.02 42.96 2kwq s PHE 799 CO 0.01 -0.08 -0.15 0.21 0.70 0.00 0.00 175.22 175.91 2kwq s LYS 800 N -1.74 1.00 0.12 0.44 2.20 -0.07 -1.72 119.74 119.97 2kwq s LYS 800 Ca -0.08 -0.78 -0.02 0.00 -0.36 0.00 0.00 55.97 54.73 2kwq s LYS 800 Cb -0.09 -1.03 -0.05 0.00 -1.51 0.00 0.00 37.83 35.16 2kwq s LYS 800 CO 0.00 0.26 0.31 0.00 -0.36 0.00 0.00 175.35 175.56 2kwq h PRO 802 N 2.78 0.00 0.00 0.00 0.13 -1.89 -1.12 132.00 131.90 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 0.73 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.50 2kwq n GLY 804 N 0.86 1.70 3.71 0.00 0.00 -0.42 -5.11 105.19 105.92 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 -1.74 3.90 0.15 1.61 2.47 -1.26 -4.74 114.94 115.33 2kwq s ASN 805 Ca 0.00 2.43 0.06 0.00 0.42 0.00 0.00 52.86 55.77 2kwq s ASN 805 Cb 0.00 -2.60 -0.04 0.00 -1.45 0.00 0.00 41.25 37.16 2kwq s ASN 805 CO 0.00 -2.47 -0.13 -0.13 -3.72 0.00 0.00 177.10 170.66 2kwq s ARG 806 N -3.93 1.09 0.33 0.43 1.81 -1.26 -0.84 118.95 116.58 2kwq s ARG 806 Ca 0.76 -1.38 -0.16 0.00 -1.72 0.00 0.00 55.73 53.22 2kwq s ARG 806 Cb -0.31 -0.84 0.03 0.00 -0.45 0.00 0.00 34.95 33.38 2kwq s ARG 806 CO 0.47 0.14 0.70 -0.08 -0.68 0.00 0.00 175.30 175.86 2kwq s THR 807 N -2.73 0.00 0.02 0.02 -1.32 -0.70 -5.00 115.64 105.93 2kwq s THR 807 Ca 0.14 -1.09 0.01 0.00 -1.21 0.00 0.00 61.69 59.54 2kwq s THR 807 Cb -0.01 -2.45 -0.01 0.00 -1.51 0.00 0.00 72.50 68.52 2kwq s THR 807 CO 0.03 0.00 -0.05 -0.63 -2.21 0.00 0.00 174.62 171.76 2kwq s ILE 808 N -3.18 0.32 0.05 5.08 1.01 -1.26 -1.25 121.20 121.97 2kwq s ILE 808 Ca 0.16 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 2kwq s ILE 808 Cb -0.05 -0.35 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 2kwq s ILE 808 CO 0.10 -0.18 0.04 -0.55 0.00 0.00 0.00 174.94 174.35 2kwq s SER 809 N -0.82 0.30 0.15 3.58 0.15 -0.62 -4.93 113.70 111.51 2kwq s SER 809 Ca -0.06 -0.72 0.26 0.00 0.70 0.00 0.00 55.95 56.13 2kwq s SER 809 Cb -0.06 0.21 0.72 0.00 -1.71 0.00 0.00 66.02 65.19 2kwq s SER 809 CO -0.00 -0.54 1.66 0.18 1.20 0.00 0.00 173.24 175.74 2kwq n LEU 810 N 0.53 0.68 -4.99 3.45 4.77 -1.26 -0.99 117.00 119.19 2kwq n LEU 810 Ca -0.17 0.45 -0.18 0.00 -0.03 0.00 0.00 56.01 56.08 2kwq n LEU 810 Cb 0.59 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2kwq n LEU 810 CO 0.24 -0.11 0.13 -0.62 -1.33 0.00 0.00 177.39 175.70 2kwq s ASP 811 N -4.21 5.58 0.00 -1.43 2.15 -1.26 -4.78 116.67 112.72 2kwq s ASP 811 Ca 0.10 -0.46 0.11 0.00 0.43 0.00 0.00 52.55 52.73 2kwq s ASP 811 Cb 0.14 -0.66 0.54 0.00 -0.30 0.00 0.00 42.92 42.64 2kwq s ASP 811 CO 0.63 -0.74 1.24 -2.11 -0.17 0.00 0.00 175.17 174.02 2kwq n ARG 812 N -1.81 0.14 -3.64 4.34 1.85 -1.26 -4.63 116.66 111.65 2kwq n ARG 812 Ca 0.07 0.19 -0.12 0.00 -1.00 0.00 0.00 57.85 56.99 2kwq n ARG 812 Cb 0.59 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.43 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 -2.60 -0.65 0.67 2.89 2.96 -1.26 -4.96 118.68 115.73 2kwq s LEU 813 Ca 0.10 1.38 -0.15 0.00 -0.22 0.00 0.00 54.13 55.24 2kwq s LEU 813 Cb 0.07 2.31 0.00 0.00 0.50 0.00 0.00 46.19 49.08 2kwq s LEU 813 CO 0.17 -0.24 1.11 -2.16 -1.32 0.00 0.00 176.35 173.91 2kwq s PRO 814 N 0.66 2.74 0.21 0.98 0.04 -1.26 -4.99 135.00 133.38 2kwq s PRO 814 Ca -0.02 1.39 0.23 0.00 0.04 0.00 0.00 61.00 62.64 2kwq s PRO 814 Cb -0.05 -1.94 0.25 0.00 0.04 0.00 0.00 34.50 32.80 2kwq s PRO 814 CO -0.04 -1.30 1.30 1.57 0.04 0.00 0.00 177.00 178.58 2kwq h LYS 815 N -0.05 0.00 -6.17 4.56 -0.00 -1.98 -3.48 116.57 109.44 2kwq h LYS 815 Ca -0.47 0.00 -0.61 0.00 -0.00 0.00 0.00 60.65 59.58 2kwq h LYS 815 Cb 1.25 0.00 -0.08 0.00 -0.00 0.00 0.00 32.23 33.40 2kwq h LYS 815 CO 0.54 0.00 -0.58 -1.59 -0.00 0.00 0.00 179.45 177.82 2kwq s LYS 816 N -3.24 2.93 0.70 0.07 0.00 -1.26 -5.13 119.74 113.81 2kwq s LYS 816 Ca 0.04 -0.75 -0.11 0.00 0.00 0.00 0.00 55.97 55.14 2kwq s LYS 816 Cb 0.10 -2.71 0.01 0.00 0.00 0.00 0.00 37.83 35.23 2kwq s LYS 816 CO 0.73 0.53 1.09 -1.01 0.00 0.00 0.00 175.35 176.69 2kwq s HIS 817 N -1.56 3.34 0.36 1.78 3.76 -1.26 -4.96 115.29 116.74 2kwq s HIS 817 Ca 0.30 1.06 -0.28 0.00 -0.15 0.00 0.00 55.06 55.99 2kwq s HIS 817 Cb -0.11 -3.05 -0.11 0.00 1.11 0.00 0.00 32.58 30.42 2kwq s HIS 817 CO 0.23 -1.16 1.48 0.00 -0.85 0.00 0.00 174.74 174.44 2kwq h SER 819 N 3.32 0.00 0.00 0.00 0.02 -1.95 -3.07 113.55 111.88 2kwq h SER 819 Ca -0.50 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.22 2kwq h SER 819 Cb 1.23 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.73 2kwq h SER 819 CO 0.67 0.00 -1.85 0.41 -1.14 0.00 0.00 176.83 174.91 2kwq n THR 820 N -2.60 0.86 0.00 -2.27 -1.04 -1.26 -4.80 114.28 103.17 2kwq n THR 820 Ca 0.05 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 2kwq n THR 820 Cb 0.45 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 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 0.91 0.96 0.07 0.00 0.00 -1.16 -5.02 105.19 100.96 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 -3.68 0.99 -0.00 -1.26 -4.48 117.00 108.57 2kwq n LEU 823 Ca 0.00 -0.04 -0.30 0.00 -0.00 0.00 0.00 56.01 55.68 2kwq n LEU 823 Cb 0.00 -0.01 -0.14 0.00 -0.00 0.00 0.00 43.42 43.27 2kwq n LEU 823 CO 0.00 -0.51 -0.31 0.12 -0.00 0.00 0.00 177.39 176.69 2kwq s PHE 824 N -0.09 1.54 -0.06 1.47 5.36 -1.26 -1.14 117.98 123.80 2kwq s PHE 824 Ca 0.01 -1.84 0.24 0.00 -0.96 0.00 0.00 56.93 54.39 2kwq s PHE 824 Cb -0.00 -1.59 0.43 0.00 -0.34 0.00 0.00 43.02 41.52 2kwq s PHE 824 CO 0.01 -0.84 1.16 1.63 -1.46 0.00 0.00 175.22 175.71 2kwq n LYS 825 N 4.42 0.37 -1.78 10.12 4.76 -1.26 -5.10 118.16 129.69 2kwq n LYS 825 Ca 0.02 -2.27 -0.41 0.00 -2.87 0.00 0.00 58.31 52.79 2kwq n LYS 825 Cb 0.39 -0.31 0.00 0.00 -1.84 0.00 0.00 35.03 33.27 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 0.23 3.00 -4.47 2.13 7.02 -1.26 -4.44 117.44 119.65 2kwq n TRP 826 Ca 0.05 0.44 -0.21 0.00 -1.02 0.00 0.00 57.50 56.76 2kwq n TRP 826 Cb 1.06 -2.53 -0.16 0.00 -2.42 0.00 0.00 31.31 27.26 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 -2.15 1.10 0.13 -0.99 2.56 -0.21 -4.96 118.70 114.17 2kwq s GLU 827 Ca 0.54 -0.36 -0.30 0.00 0.00 0.00 0.00 54.97 54.84 2kwq s GLU 827 Cb -0.47 -1.01 -0.07 0.00 2.00 0.00 0.00 34.13 34.58 2kwq s GLU 827 CO 0.63 0.15 1.18 0.50 -0.56 0.00 0.00 175.26 177.16 2kwq s ARG 828 N 0.13 4.49 0.47 4.30 3.52 -1.26 -0.90 118.95 129.70 2kwq s ARG 828 Ca -0.03 1.80 0.03 0.00 -0.13 0.00 0.00 55.73 57.40 2kwq s ARG 828 Cb -0.09 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 29.98 2kwq s ARG 828 CO 0.01 -0.12 0.02 0.14 -0.81 0.00 0.00 175.30 174.54 2kwq s VAL 829 N 0.35 1.26 0.00 7.11 -7.23 0.09 -4.92 120.40 117.06 2kwq s VAL 829 Ca 0.54 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 2kwq s VAL 829 Cb -0.31 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.25 2kwq s VAL 829 CO 0.33 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 2kwq n GLY 830 N -1.14 -1.73 3.66 2.32 0.00 -1.26 -4.55 105.19 102.50 2kwq n GLY 830 Ca -0.14 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.88 4.21 0.81 1.61 1.75 -1.26 -4.84 119.30 118.70 2kwq s MET 831 Ca 0.00 1.96 -0.11 0.00 -1.25 0.00 0.00 55.69 56.29 2kwq s MET 831 Cb 0.00 -3.85 0.08 0.00 2.84 0.00 0.00 34.83 33.90 2kwq s MET 831 CO 0.00 -0.76 1.11 -0.48 -0.65 0.00 0.00 175.02 174.24 2kwq s LEU 832 N 3.63 3.01 0.04 4.11 2.34 -1.26 -5.11 118.68 125.44 2kwq s LEU 832 Ca 0.65 1.97 0.07 0.00 0.06 0.00 0.00 54.13 56.87 2kwq s LEU 832 Cb -0.29 -4.54 -0.02 0.00 -0.56 0.00 0.00 46.19 40.78 2kwq s LEU 832 CO 0.23 -2.34 -0.19 -1.59 -1.06 0.00 0.00 176.35 171.41 2kwq s LYS 833 N -4.74 1.26 1.07 1.48 -2.85 -1.26 -5.17 119.74 109.53 2kwq s LYS 833 Ca 0.64 -0.89 -0.14 0.00 -1.00 0.00 0.00 55.97 54.58 2kwq s LYS 833 Cb -0.19 -1.34 0.22 0.00 -2.06 0.00 0.00 37.83 34.46 2kwq s LYS 833 CO 0.55 0.34 1.09 -1.21 0.10 0.00 0.00 175.35 176.23 2kwq s GLU 834 N -1.16 -0.13 0.47 1.78 8.01 -1.26 -5.05 118.70 121.36 2kwq s GLU 834 Ca 0.06 0.35 -0.23 0.00 0.01 0.00 0.00 54.97 55.15 2kwq s GLU 834 Cb -0.08 -1.69 -0.07 0.00 -4.31 0.00 0.00 34.13 27.98 2kwq s GLU 834 CO 0.02 -3.07 1.25 0.15 0.01 0.00 0.00 175.26 173.61 2kwq s LYS 835 N -5.07 3.64 0.75 1.61 1.02 -1.26 -5.04 119.74 115.39 2kwq s LYS 835 Ca 0.67 1.98 -0.11 0.00 0.02 0.00 0.00 55.97 58.53 2kwq s LYS 835 Cb -0.17 -2.45 0.04 0.00 -0.52 0.00 0.00 37.83 34.74 2kwq s LYS 835 CO 0.57 -0.71 1.09 0.95 -0.92 0.00 0.00 175.35 176.34 2kwq s THR 836 N -1.41 3.34 0.20 2.17 -4.23 -1.26 -5.11 115.64 109.34 2kwq s THR 836 Ca 0.64 0.44 -0.02 0.00 -1.18 0.00 0.00 61.69 61.57 2kwq s THR 836 Cb -0.34 -3.29 0.01 0.00 1.34 0.00 0.00 72.50 70.22 2kwq s THR 836 CO 0.41 -0.57 0.31 0.61 -0.54 0.00 0.00 174.62 174.84 2kwq n GLY 837 N -2.47 2.36 0.00 3.99 0.00 -1.26 -5.06 105.19 102.75 2kwq n GLY 837 Ca 0.07 -1.45 0.14 0.00 0.00 0.00 0.00 46.02 44.78 2kwq n GLY 837 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kwq n PRO 838 N -0.33 0.38 -1.96 1.61 -0.04 -1.26 -4.93 135.00 128.48 2kwq n PRO 838 Ca -0.01 0.01 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 2kwq n PRO 838 Cb 0.34 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.32 2kwq n PRO 838 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kwq s LYS 839 N -2.61 3.42 0.47 0.54 1.02 -1.26 -5.02 119.74 116.29 2kwq s LYS 839 Ca 0.27 2.08 -0.20 0.00 0.02 0.00 0.00 55.97 58.14 2kwq s LYS 839 Cb 0.20 -2.35 -0.09 0.00 -0.52 0.00 0.00 37.83 35.06 2kwq s LYS 839 CO 0.46 -0.92 1.00 -1.17 -0.92 0.00 0.00 175.35 173.80 2kwq s LEU 840 N -3.26 3.87 0.00 3.17 2.96 -1.26 -5.09 118.68 119.07 2kwq s LEU 840 Ca 0.68 1.83 0.00 0.00 -0.22 0.00 0.00 54.13 56.41 2kwq s LEU 840 Cb -0.36 -4.55 0.00 0.00 0.50 0.00 0.00 46.19 41.77 2kwq s LEU 840 CO 0.44 -0.62 0.00 0.61 -1.32 0.00 0.00 176.35 175.46 2kwq n GLY 841 N -0.43 -0.40 0.00 7.98 0.00 -1.26 -5.22 105.19 105.86 2kwq n GLY 841 Ca 0.08 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2kwq n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93