#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 -2.04 -3.28 132.00 128.41 2kwq h PRO -3 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 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 0.12 0.00 -1.33 -0.23 0.00 0.00 178.00 176.56 2kwq n MET -2 N -3.19 0.78 0.00 0.86 2.81 -1.26 -4.86 117.12 112.26 2kwq n MET -2 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2kwq n MET -2 Cb 0.45 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 2kwq n MET -2 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kwq n GLY -1 N 0.53 3.58 0.64 3.03 0.00 -1.24 -1.82 105.19 109.91 2kwq n GLY -1 Ca 0.17 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 13.39 1.64 0.00 1.61 0.00 -1.26 -4.91 117.12 127.59 2kwq n MET 755 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 57.70 56.42 2kwq n MET 755 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 31.75 2kwq n MET 755 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2kwq n GLN 756 N 0.44 0.00 -3.54 3.17 6.02 -0.76 -5.08 117.38 117.63 2kwq n GLN 756 Ca 0.13 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.80 2kwq n GLN 756 Cb 0.49 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.70 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 0.00 6.58 0.34 1.08 0.01 -1.23 -4.97 113.70 115.50 2kwq s SER 757 Ca 0.00 0.77 -0.27 0.00 1.31 0.00 0.00 55.95 57.77 2kwq s SER 757 Cb 0.00 -2.17 -0.09 0.00 0.21 0.00 0.00 66.02 63.97 2kwq s SER 757 CO 0.00 0.01 1.09 -0.63 0.41 0.00 0.00 173.24 174.12 2kwq s ILE 758 N -1.70 3.51 0.00 1.44 -1.09 -1.26 -4.14 121.20 117.96 2kwq s ILE 758 Ca 0.43 1.35 0.00 0.00 -2.23 0.00 0.00 60.65 60.20 2kwq s ILE 758 Cb -0.12 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 2kwq s ILE 758 CO 0.22 0.19 1.79 -2.11 -1.23 0.00 0.00 174.94 173.80 2kwq n ARG 759 N 0.56 1.00 -3.74 2.79 1.85 -1.26 -4.71 116.66 113.14 2kwq n ARG 759 Ca 0.02 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.77 2kwq n ARG 759 Cb 0.47 -1.00 -0.06 0.00 -1.05 0.00 0.00 32.46 30.82 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 0.00 1.02 -0.05 2.89 -1.05 -1.23 -3.79 118.70 116.49 2kwq s GLU 760 Ca 0.00 -0.84 -0.15 0.00 -0.15 0.00 0.00 54.97 53.83 2kwq s GLU 760 Cb 0.00 0.42 0.03 0.00 -0.44 0.00 0.00 34.13 34.14 2kwq s GLU 760 CO 0.00 -0.38 0.34 1.14 0.95 0.00 0.00 175.26 177.31 2kwq s GLN 761 N -3.84 0.61 0.56 -4.83 -2.07 -1.23 -4.78 119.66 104.08 2kwq s GLN 761 Ca 0.05 0.04 -0.19 0.00 -1.82 0.00 0.00 55.36 53.44 2kwq s GLN 761 Cb 0.03 0.28 -0.05 0.00 -1.09 0.00 0.00 33.01 32.18 2kwq s GLN 761 CO -0.10 -0.15 1.11 -1.12 -1.32 0.00 0.00 175.29 173.71 2kwq s SER 762 N -0.86 5.69 0.13 12.60 0.01 -1.26 -2.51 113.70 127.49 2kwq s SER 762 Ca -0.09 2.11 -0.13 0.00 1.31 0.00 0.00 55.95 59.14 2kwq s SER 762 Cb -0.04 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.63 2kwq s SER 762 CO 0.03 -1.24 0.34 0.00 0.41 0.00 0.00 173.24 172.78 2kwq s ARG 764 N -3.85 4.77 0.20 0.00 3.52 -1.26 -1.57 118.95 120.77 2kwq s ARG 764 Ca 0.06 1.41 0.00 0.00 -0.13 0.00 0.00 55.73 57.07 2kwq s ARG 764 Cb 0.03 -3.30 -0.05 0.00 -1.56 0.00 0.00 34.95 30.07 2kwq s ARG 764 CO -0.09 0.46 0.08 0.14 -0.81 0.00 0.00 175.30 175.07 2kwq s VAL 765 N -0.89 0.36 -0.01 7.11 -7.23 0.94 -4.75 120.40 115.94 2kwq s VAL 765 Ca 0.41 -1.98 -0.00 0.00 -1.81 0.00 0.00 61.98 58.60 2kwq s VAL 765 Cb -0.25 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.31 2kwq s VAL 765 CO 0.30 -0.19 0.02 0.54 -0.31 0.00 0.00 175.10 175.46 2kwq s VAL 766 N -3.89 -0.01 -0.27 1.32 0.11 0.78 -1.05 120.40 117.39 2kwq s VAL 766 Ca 0.33 0.05 -0.07 0.00 -2.93 0.00 0.00 61.98 59.35 2kwq s VAL 766 Cb 0.07 -0.04 -0.01 0.00 -1.53 0.00 0.00 36.38 34.87 2kwq s VAL 766 CO 0.09 0.02 0.08 -0.89 -3.33 0.00 0.00 175.10 171.07 2kwq s THR 767 N 0.24 4.21 -0.21 5.04 2.01 -0.25 -1.35 115.64 125.33 2kwq s THR 767 Ca -0.02 -0.39 -0.29 0.00 0.31 0.00 0.00 61.69 61.30 2kwq s THR 767 Cb -0.03 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 2kwq s THR 767 CO -0.01 0.22 1.35 0.00 -0.69 0.00 0.00 174.62 175.50 2kwq h LYS 769 N 8.97 0.00 -0.00 0.00 1.79 -1.11 -0.59 116.57 125.63 2kwq h LYS 769 Ca -0.28 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.10 2kwq h LYS 769 Cb 1.11 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.77 2kwq h LYS 769 CO 0.99 0.29 -0.33 1.15 -1.08 0.00 0.00 179.45 180.48 2kwq h THR 770 N 0.00 1.51 0.00 -0.16 2.02 -1.92 -3.36 112.91 111.00 2kwq h THR 770 Ca -0.00 -1.97 0.00 0.00 0.77 0.00 0.00 66.41 65.21 2kwq h THR 770 Cb 0.97 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 2kwq h THR 770 CO 0.04 0.55 -1.42 0.00 0.37 0.00 0.00 175.52 175.06 2kwq n LYS 772 N -2.20 -0.95 -4.23 0.00 4.01 -0.23 -5.06 118.16 109.49 2kwq n LYS 772 Ca -0.01 0.43 -0.24 0.00 -0.51 0.00 0.00 58.31 57.98 2kwq n LYS 772 Cb 0.51 -4.39 -0.07 0.00 -0.51 0.00 0.00 35.03 30.56 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 -2.51 2.82 -0.07 2.13 -0.85 -1.22 -4.98 117.35 112.66 2kwq s TYR 773 Ca 0.02 -0.17 0.05 0.00 -0.52 0.00 0.00 57.07 56.45 2kwq s TYR 773 Cb -0.01 -1.31 -0.01 0.00 0.38 0.00 0.00 41.96 41.01 2kwq s TYR 773 CO 0.03 0.56 -0.23 0.99 -1.52 0.00 0.00 175.55 175.38 2kwq s THR 774 N -2.02 2.25 0.35 -3.49 2.01 -1.26 -1.59 115.64 111.88 2kwq s THR 774 Ca 0.30 -0.99 -0.15 0.00 0.31 0.00 0.00 61.69 61.16 2kwq s THR 774 Cb -0.08 -1.84 0.06 0.00 0.01 0.00 0.00 72.50 70.65 2kwq s THR 774 CO 0.20 0.57 0.77 1.41 -0.69 0.00 0.00 174.62 176.87 2kwq n HIS 775 N 3.05 -2.18 0.24 4.92 8.25 -0.46 -4.89 115.22 124.16 2kwq n HIS 775 Ca -0.18 -1.68 0.13 0.00 -0.26 0.00 0.00 57.72 55.73 2kwq n HIS 775 Cb 0.52 0.84 0.52 0.00 1.12 0.00 0.00 29.99 32.99 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 1.93 0.00 -2.26 4.41 0.04 -1.85 0.22 116.94 119.43 2kwq h PHE 776 Ca -0.31 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.44 2kwq h PHE 776 Cb 1.15 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 39.13 2kwq h PHE 776 CO 0.00 0.14 0.25 -1.59 -0.60 0.00 0.00 178.31 176.50 2kwq s LYS 777 N -3.63 1.06 0.53 1.51 -2.85 -1.26 -4.39 119.74 110.71 2kwq s LYS 777 Ca 0.01 0.01 -0.17 0.00 -1.00 0.00 0.00 55.97 54.82 2kwq s LYS 777 Cb 0.09 0.50 -0.07 0.00 -2.06 0.00 0.00 37.83 36.29 2kwq s LYS 777 CO 0.61 -0.38 1.01 -1.25 0.10 0.00 0.00 175.35 175.44 2kwq s PRO 778 N -2.03 3.74 0.78 1.78 0.04 -1.26 -4.96 135.00 133.08 2kwq s PRO 778 Ca -0.06 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 2kwq s PRO 778 Cb -0.00 -2.10 0.06 0.00 0.04 0.00 0.00 34.50 32.50 2kwq s PRO 778 CO 0.01 -0.46 1.08 0.15 0.04 0.00 0.00 177.00 177.83 2kwq s LYS 779 N -3.90 2.25 0.28 4.56 1.02 -1.26 -4.86 119.74 117.83 2kwq s LYS 779 Ca 0.62 1.02 -0.01 0.00 0.02 0.00 0.00 55.97 57.62 2kwq s LYS 779 Cb -0.13 -1.91 0.47 0.00 -0.52 0.00 0.00 37.83 35.75 2kwq s LYS 779 CO 0.30 -1.61 1.89 0.93 -0.92 0.00 0.00 175.35 175.95 2kwq h GLU 780 N -1.09 1.07 -0.56 1.68 3.07 -1.99 -0.60 114.58 116.16 2kwq h GLU 780 Ca -0.45 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.25 2kwq h GLU 780 Cb 1.24 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.89 2kwq h GLU 780 CO 0.54 0.71 -0.05 1.79 -1.40 0.00 0.00 179.01 180.59 2kwq h THR 781 N 1.10 1.26 -0.68 1.13 1.35 -1.98 0.12 112.91 115.22 2kwq h THR 781 Ca 0.42 -1.19 -0.07 0.00 -0.55 0.00 0.00 66.41 65.02 2kwq h THR 781 Cb 0.20 0.89 -0.03 0.00 -1.73 0.00 0.00 68.15 67.48 2kwq h THR 781 CO -0.16 0.43 0.16 0.00 -0.25 0.00 0.00 175.52 175.69 2kwq h VAL 783 N 1.03 1.32 -0.14 0.00 2.07 -1.04 -0.20 116.25 119.28 2kwq h VAL 783 Ca 0.21 -1.89 -0.22 0.00 0.82 0.00 0.00 66.70 65.63 2kwq h VAL 783 Cb 0.37 2.06 0.01 0.00 -1.52 0.00 0.00 31.29 32.20 2kwq h VAL 783 CO 0.00 0.59 -0.77 0.28 0.02 0.00 0.00 177.57 177.68 2kwq h SER 784 N 0.35 0.87 1.51 0.57 0.02 -0.84 -2.76 113.55 113.28 2kwq h SER 784 Ca -0.04 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 2kwq h SER 784 Cb 1.27 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2kwq h SER 784 CO 0.13 1.37 0.00 -0.33 -1.14 0.00 0.00 176.83 176.86 2kwq h GLU 785 N 0.50 0.00 -3.65 3.45 5.08 -1.16 -3.48 114.58 115.31 2kwq h GLU 785 Ca -0.05 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 2kwq h GLU 785 Cb 1.40 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.72 2kwq h GLU 785 CO 0.16 0.00 -0.35 -1.71 -1.00 0.00 0.00 179.01 176.10 2kwq n ASN 786 N -2.67 -2.13 -4.62 1.42 2.85 -0.69 -5.03 115.26 104.39 2kwq n ASN 786 Ca 0.04 -0.28 -0.34 0.00 -0.11 0.00 0.00 54.58 53.89 2kwq n ASN 786 Cb 0.42 -2.62 0.12 0.00 1.24 0.00 0.00 39.78 38.94 2kwq n ASN 786 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2kwq n HIS 787 N -2.51 0.60 -2.83 1.20 8.25 -0.17 -5.01 115.22 114.75 2kwq n HIS 787 Ca -0.13 0.38 -0.40 0.00 -0.26 0.00 0.00 57.72 57.31 2kwq n HIS 787 Cb 0.58 -2.04 -0.05 0.00 1.12 0.00 0.00 29.99 29.59 2kwq n HIS 787 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2kwq s ASP 788 N -1.97 7.46 0.03 0.41 1.01 -1.26 -4.95 116.67 117.40 2kwq s ASP 788 Ca 0.70 1.73 -0.00 0.00 0.71 0.00 0.00 52.55 55.70 2kwq s ASP 788 Cb -0.30 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.06 2kwq s ASP 788 CO 0.54 0.05 -0.03 0.72 0.21 0.00 0.00 175.17 176.65 2kwq s PHE 789 N -0.46 0.32 -0.16 4.23 -0.12 -1.26 -0.50 117.98 120.02 2kwq s PHE 789 Ca 0.42 -0.64 -0.01 0.00 -0.05 0.00 0.00 56.93 56.65 2kwq s PHE 789 Cb -0.23 -0.23 -0.01 0.00 -0.63 0.00 0.00 43.02 41.91 2kwq s PHE 789 CO 0.28 -0.23 -0.11 -1.01 -0.05 0.00 0.00 175.22 174.10 2kwq s HIS 790 N -1.97 2.85 0.14 3.49 3.76 -0.27 -4.94 115.29 118.36 2kwq s HIS 790 Ca -0.11 -0.82 -0.06 0.00 -0.15 0.00 0.00 55.06 53.92 2kwq s HIS 790 Cb -0.06 -1.92 -0.06 0.00 1.11 0.00 0.00 32.58 31.65 2kwq s HIS 790 CO -0.03 -0.36 0.39 -1.58 -0.85 0.00 0.00 174.74 172.31 2kwq s TRP 791 N 0.75 3.48 0.02 1.40 0.52 -1.26 -1.09 118.94 122.76 2kwq s TRP 791 Ca -0.05 0.61 -0.01 0.00 0.02 0.00 0.00 56.10 56.66 2kwq s TRP 791 Cb -0.15 -2.04 0.01 0.00 -1.15 0.00 0.00 33.47 30.13 2kwq s TRP 791 CO 0.01 0.43 0.07 -2.39 0.02 0.00 0.00 176.95 175.10 2kwq n HIS 792 N 0.17 -0.87 -4.18 -1.98 1.44 -0.22 -4.99 115.22 104.60 2kwq n HIS 792 Ca -0.03 -0.12 -0.28 0.00 -2.01 0.00 0.00 57.72 55.27 2kwq n HIS 792 Cb 0.52 0.06 -0.08 0.00 0.12 0.00 0.00 29.99 30.61 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 -1.18 4.82 0.00 4.39 -0.87 -1.26 -0.04 114.94 120.80 2kwq s ASN 793 Ca 0.02 -0.31 0.00 0.00 -1.57 0.00 0.00 52.86 51.00 2kwq s ASN 793 Cb -0.00 -1.06 0.00 0.00 -0.02 0.00 0.00 41.25 40.16 2kwq s ASN 793 CO 0.01 0.14 0.00 0.61 -2.57 0.00 0.00 177.10 175.28 2kwq n GLY 794 N 0.27 2.27 2.98 0.66 0.00 -0.60 -4.85 105.19 105.91 2kwq n GLY 794 Ca -0.11 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.89 0.59 -0.01 1.61 1.01 -1.26 -1.18 120.40 118.28 2kwq s VAL 795 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.71 2kwq s VAL 795 Cb 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 2kwq s VAL 795 CO 0.00 0.18 -0.02 -1.59 0.00 0.00 0.00 175.10 173.67 2kwq s LYS 796 N 0.05 2.74 0.14 2.72 -2.85 -1.04 -4.49 119.74 117.00 2kwq s LYS 796 Ca -0.00 -0.62 0.11 0.00 -1.00 0.00 0.00 55.97 54.45 2kwq s LYS 796 Cb -0.05 -2.63 -0.04 0.00 -2.06 0.00 0.00 37.83 33.04 2kwq s LYS 796 CO -0.00 0.63 -0.23 1.03 0.10 0.00 0.00 175.35 176.87 2kwq s ARG 797 N -1.44 1.55 -0.07 1.78 1.81 0.24 -3.54 118.95 119.29 2kwq s ARG 797 Ca 0.18 -1.35 0.01 0.00 -1.72 0.00 0.00 55.73 52.85 2kwq s ARG 797 Cb -0.11 -1.95 -0.03 0.00 -0.45 0.00 0.00 34.95 32.41 2kwq s ARG 797 CO 0.08 0.44 -0.07 -0.06 -0.68 0.00 0.00 175.30 175.02 2kwq s PHE 798 N -1.25 2.94 0.06 -0.53 0.08 -1.26 -1.95 117.98 116.08 2kwq s PHE 798 Ca 0.17 0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.26 2kwq s PHE 798 Cb -0.10 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.60 2kwq s PHE 798 CO 0.08 0.32 -0.10 -0.06 -0.10 0.00 0.00 175.22 175.37 2kwq s PHE 799 N -0.76 0.88 0.00 0.36 0.40 -0.28 -0.58 117.98 117.99 2kwq s PHE 799 Ca 0.12 -0.55 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 2kwq s PHE 799 Cb -0.11 -0.51 -0.01 0.00 0.51 0.00 0.00 43.02 42.90 2kwq s PHE 799 CO 0.01 -0.04 -0.07 0.21 0.70 0.00 0.00 175.22 176.03 2kwq s LYS 800 N -2.03 0.55 0.09 0.44 2.20 -0.32 -2.07 119.74 118.60 2kwq s LYS 800 Ca -0.04 -0.32 -0.05 0.00 -0.36 0.00 0.00 55.97 55.21 2kwq s LYS 800 Cb -0.07 -0.51 -0.05 0.00 -1.51 0.00 0.00 37.83 35.69 2kwq s LYS 800 CO 0.00 0.13 0.33 0.00 -0.36 0.00 0.00 175.35 175.45 2kwq h PRO 802 N 3.22 0.00 0.00 0.00 0.13 -1.88 -1.05 132.00 132.42 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 0.71 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.48 2kwq n GLY 804 N 1.12 0.56 3.73 0.00 0.00 -0.40 -5.12 105.19 105.08 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 -2.00 4.21 0.13 1.61 2.47 -1.25 -4.79 114.94 115.32 2kwq s ASN 805 Ca 0.00 2.25 0.05 0.00 0.42 0.00 0.00 52.86 55.59 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 -2.25 -0.13 -0.13 -3.72 0.00 0.00 177.10 170.88 2kwq s ARG 806 N -4.07 1.02 0.32 0.43 1.81 -1.26 -0.94 118.95 116.25 2kwq s ARG 806 Ca 0.72 -1.29 -0.17 0.00 -1.72 0.00 0.00 55.73 53.27 2kwq s ARG 806 Cb -0.26 -0.80 0.03 0.00 -0.45 0.00 0.00 34.95 33.47 2kwq s ARG 806 CO 0.47 0.14 0.71 -0.08 -0.68 0.00 0.00 175.30 175.85 2kwq s THR 807 N -2.47 0.00 0.01 0.02 -1.32 -0.88 -5.00 115.64 106.01 2kwq s THR 807 Ca 0.11 -1.07 0.00 0.00 -1.21 0.00 0.00 61.69 59.51 2kwq s THR 807 Cb -0.03 -2.37 -0.01 0.00 -1.51 0.00 0.00 72.50 68.58 2kwq s THR 807 CO 0.02 0.00 -0.02 -0.63 -2.21 0.00 0.00 174.62 171.79 2kwq s ILE 808 N -3.31 0.06 0.13 5.08 1.01 -1.26 -1.13 121.20 121.77 2kwq s ILE 808 Ca 0.15 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.22 2kwq s ILE 808 Cb -0.05 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.28 2kwq s ILE 808 CO 0.09 -0.26 0.27 -0.55 0.00 0.00 0.00 174.94 174.50 2kwq s SER 809 N -0.76 0.02 0.38 3.58 0.15 -0.82 -4.97 113.70 111.28 2kwq s SER 809 Ca -0.08 -0.68 0.21 0.00 0.70 0.00 0.00 55.95 56.10 2kwq s SER 809 Cb -0.05 0.41 0.24 0.00 -1.71 0.00 0.00 66.02 64.91 2kwq s SER 809 CO -0.01 -0.82 1.49 -0.07 1.20 0.00 0.00 173.24 175.03 2kwq h LEU 810 N 2.59 0.00-10.39 3.45 3.38 -1.87 0.72 115.31 113.20 2kwq h LEU 810 Ca -0.33 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.17 2kwq h LEU 810 Cb 1.22 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.01 2kwq h LEU 810 CO 0.51 0.10 0.07 -0.62 0.09 0.00 0.00 178.44 178.58 2kwq s ASP 811 N -6.14 5.77 0.07 -0.43 2.15 -1.26 -4.76 116.67 112.07 2kwq s ASP 811 Ca 0.05 0.58 0.09 0.00 0.43 0.00 0.00 52.55 53.71 2kwq s ASP 811 Cb 0.06 -1.71 0.44 0.00 -0.30 0.00 0.00 42.92 41.41 2kwq s ASP 811 CO 0.70 -0.86 1.29 -2.11 -0.17 0.00 0.00 175.17 174.02 2kwq n ARG 812 N -2.35 0.04 -3.67 4.34 -4.01 -1.26 -4.63 116.66 105.13 2kwq n ARG 812 Ca 0.03 0.45 -0.11 0.00 -1.04 0.00 0.00 57.85 57.18 2kwq n ARG 812 Cb 0.57 -1.61 -0.08 0.00 -3.04 0.00 0.00 32.46 28.30 2kwq n ARG 812 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 2kwq s LEU 813 N -3.37 -0.44 0.70 2.89 2.96 -1.26 -4.91 118.68 115.25 2kwq s LEU 813 Ca 0.02 1.23 -0.13 0.00 -0.22 0.00 0.00 54.13 55.03 2kwq s LEU 813 Cb 0.04 2.01 0.02 0.00 0.50 0.00 0.00 46.19 48.76 2kwq s LEU 813 CO 0.14 -0.21 1.10 -2.16 -1.32 0.00 0.00 176.35 173.89 2kwq s PRO 814 N 0.92 2.59 0.17 0.98 0.04 -1.26 -4.99 135.00 133.44 2kwq s PRO 814 Ca -0.05 1.30 0.24 0.00 0.04 0.00 0.00 61.00 62.53 2kwq s PRO 814 Cb -0.05 -1.93 0.23 0.00 0.04 0.00 0.00 34.50 32.79 2kwq s PRO 814 CO -0.08 -1.40 1.25 1.57 0.04 0.00 0.00 177.00 178.38 2kwq h LYS 815 N -0.43 0.00 -6.03 4.56 -0.00 -1.99 -3.48 116.57 109.20 2kwq h LYS 815 Ca -0.45 0.00 -0.61 0.00 -0.00 0.00 0.00 60.65 59.58 2kwq h LYS 815 Cb 1.24 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 33.41 2kwq h LYS 815 CO 0.53 0.00 -0.53 -1.59 -0.00 0.00 0.00 179.45 177.86 2kwq s LYS 816 N -3.24 3.23 0.64 0.07 0.00 -1.26 -5.13 119.74 114.06 2kwq s LYS 816 Ca 0.04 -0.56 -0.10 0.00 0.00 0.00 0.00 55.97 55.35 2kwq s LYS 816 Cb 0.12 -2.91 -0.01 0.00 0.00 0.00 0.00 37.83 35.03 2kwq s LYS 816 CO 0.74 0.58 1.02 -1.01 0.00 0.00 0.00 175.35 176.68 2kwq s HIS 817 N -1.51 3.42 0.33 1.78 3.76 -1.26 -4.96 115.29 116.84 2kwq s HIS 817 Ca 0.33 1.03 -0.29 0.00 -0.15 0.00 0.00 55.06 55.98 2kwq s HIS 817 Cb -0.12 -2.86 -0.11 0.00 1.11 0.00 0.00 32.58 30.60 2kwq s HIS 817 CO 0.26 -0.91 1.49 0.00 -0.85 0.00 0.00 174.74 174.72 2kwq n SER 819 N 1.28 0.31 -0.10 0.00 3.41 -1.26 -2.82 113.62 114.43 2kwq n SER 819 Ca 0.04 0.06 -0.15 0.00 -0.26 0.00 0.00 58.87 58.56 2kwq n SER 819 Cb 0.39 -0.06 -0.09 0.00 -0.26 0.00 0.00 64.21 64.19 2kwq n SER 819 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2kwq n THR 820 N -1.52 1.20 0.00 6.66 -1.04 -1.26 -4.84 114.28 113.48 2kwq n THR 820 Ca 0.06 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 2kwq n THR 820 Cb 0.34 -1.29 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 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 1.17 0.63 0.40 0.00 0.00 -1.13 -5.02 105.19 101.25 2kwq n GLY 822 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.45 117.00 108.60 2kwq n LEU 823 Ca 0.00 -0.20 -0.30 0.00 -0.00 0.00 0.00 56.01 55.52 2kwq n LEU 823 Cb 0.00 -0.08 -0.14 0.00 -0.00 0.00 0.00 43.42 43.20 2kwq n LEU 823 CO 0.00 -0.57 -0.30 0.12 -0.00 0.00 0.00 177.39 176.65 2kwq s PHE 824 N -0.49 1.65 -0.03 1.47 5.36 -1.26 -1.06 117.98 123.61 2kwq s PHE 824 Ca 0.07 -1.98 0.25 0.00 -0.96 0.00 0.00 56.93 54.32 2kwq s PHE 824 Cb -0.00 -1.65 0.43 0.00 -0.34 0.00 0.00 43.02 41.46 2kwq s PHE 824 CO 0.05 -0.83 1.16 1.63 -1.46 0.00 0.00 175.22 175.77 2kwq n LYS 825 N 4.23 0.19 -1.71 10.12 4.76 -1.26 -5.10 118.16 129.39 2kwq n LYS 825 Ca 0.04 -2.16 -0.43 0.00 -2.87 0.00 0.00 58.31 52.90 2kwq n LYS 825 Cb 0.38 -0.17 -0.03 0.00 -1.84 0.00 0.00 35.03 33.37 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 0.37 2.68 -4.38 2.13 7.02 -1.26 -4.45 117.44 119.56 2kwq n TRP 826 Ca 0.06 0.10 -0.34 0.00 -1.02 0.00 0.00 57.50 56.30 2kwq n TRP 826 Cb 1.11 -2.64 -0.11 0.00 -2.42 0.00 0.00 31.31 27.24 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 0.93 3.49 -0.12 -0.99 2.12 0.02 -4.95 118.70 119.20 2kwq s GLU 827 Ca 0.74 -0.48 -0.30 0.00 0.36 0.00 0.00 54.97 55.30 2kwq s GLU 827 Cb -0.53 -2.89 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 2kwq s GLU 827 CO 0.35 0.37 1.21 0.50 -0.54 0.00 0.00 175.26 177.16 2kwq s ARG 828 N 0.02 4.29 0.33 4.30 3.52 -1.26 -1.18 118.95 128.97 2kwq s ARG 828 Ca 0.01 1.64 0.08 0.00 -0.13 0.00 0.00 55.73 57.33 2kwq s ARG 828 Cb -0.13 -3.66 -0.06 0.00 -1.56 0.00 0.00 34.95 29.53 2kwq s ARG 828 CO 0.02 -0.58 -0.05 0.14 -0.81 0.00 0.00 175.30 174.02 2kwq s VAL 829 N 2.87 1.92 -0.03 7.11 -7.23 0.25 -4.96 120.40 120.33 2kwq s VAL 829 Ca 0.54 -2.13 -0.17 0.00 -1.81 0.00 0.00 61.98 58.41 2kwq s VAL 829 Cb -0.22 -2.65 -0.05 0.00 0.56 0.00 0.00 36.38 34.01 2kwq s VAL 829 CO 0.17 -0.19 0.48 -0.83 -0.31 0.00 0.00 175.10 174.43 2kwq s GLY 830 N -3.56 2.50 0.13 2.32 0.00 -1.26 -4.19 107.32 103.25 2kwq s GLY 830 Ca 0.32 -0.14 -0.18 0.00 0.00 0.00 0.00 44.72 44.72 2kwq s GLY 830 CO 0.15 0.49 0.46 -0.29 0.00 0.00 0.00 173.10 173.91 2kwq s MET 831 N -0.38 1.11 0.28 2.90 -2.45 -1.25 -5.07 119.30 114.44 2kwq s MET 831 Ca 0.26 -0.62 0.08 0.00 -1.25 0.00 0.00 55.69 54.17 2kwq s MET 831 Cb -0.17 0.50 -0.06 0.00 1.25 0.00 0.00 34.83 36.35 2kwq s MET 831 CO 0.14 -0.45 -0.11 -0.51 1.05 0.00 0.00 175.02 175.14 2kwq s LEU 832 N -2.73 2.56 0.60 4.11 2.01 -1.26 -3.48 118.68 120.49 2kwq s LEU 832 Ca 0.02 -1.13 -0.17 0.00 0.01 0.00 0.00 54.13 52.85 2kwq s LEU 832 Cb 0.01 -0.79 -0.03 0.00 0.01 0.00 0.00 46.19 45.39 2kwq s LEU 832 CO -0.12 -0.22 1.12 -1.59 1.01 0.00 0.00 176.35 176.56 2kwq s LYS 833 N -3.65 3.10 0.06 1.70 -2.85 -1.26 -5.03 119.74 111.81 2kwq s LYS 833 Ca 0.29 1.52 -0.04 0.00 -1.00 0.00 0.00 55.97 56.73 2kwq s LYS 833 Cb 0.01 -1.98 -0.02 0.00 -2.06 0.00 0.00 37.83 33.78 2kwq s LYS 833 CO 0.12 -1.04 0.06 -1.21 0.10 0.00 0.00 175.35 173.39 2kwq s GLU 834 N -3.65 0.69 0.47 1.78 2.02 -1.26 -5.16 118.70 113.60 2kwq s GLU 834 Ca 0.70 -1.08 -0.24 0.00 0.02 0.00 0.00 54.97 54.37 2kwq s GLU 834 Cb -0.22 0.26 -0.07 0.00 0.10 0.00 0.00 34.13 34.19 2kwq s GLU 834 CO 0.34 -0.17 1.36 0.15 0.02 0.00 0.00 175.26 176.96 2kwq s LYS 835 N -3.78 3.58 0.29 1.61 1.02 -1.26 -5.06 119.74 116.14 2kwq s LYS 835 Ca 0.05 2.27 0.08 0.00 0.02 0.00 0.00 55.97 58.39 2kwq s LYS 835 Cb 0.06 -2.54 -0.06 0.00 -0.52 0.00 0.00 37.83 34.78 2kwq s LYS 835 CO -0.10 -0.85 -0.10 0.95 -0.92 0.00 0.00 175.35 174.33 2kwq s THR 836 N -1.27 1.95 0.00 2.17 -4.23 -1.26 -5.18 115.64 107.82 2kwq s THR 836 Ca 0.64 -2.20 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 2kwq s THR 836 Cb -0.41 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.01 2kwq s THR 836 CO 0.51 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 2kwq n GLY 837 N -0.62 0.20 3.66 3.99 0.00 -1.26 -5.06 105.19 106.09 2kwq n GLY 837 Ca -0.06 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 2kwq n GLY 837 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kwq n PRO 838 N -0.89 1.28 -2.84 1.61 -0.02 -1.26 -4.93 135.00 127.95 2kwq n PRO 838 Ca 0.00 0.48 -0.43 0.00 -2.02 0.00 0.00 63.50 61.52 2kwq n PRO 838 Cb 0.00 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.18 2kwq n PRO 838 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2kwq s LYS 839 N -2.62 3.77 0.24 -0.52 1.02 -1.26 -4.83 119.74 115.53 2kwq s LYS 839 Ca 0.71 -1.90 0.11 0.00 0.02 0.00 0.00 55.97 54.91 2kwq s LYS 839 Cb -0.45 -5.09 0.20 0.00 -0.52 0.00 0.00 37.83 31.97 2kwq s LYS 839 CO 0.50 -1.89 1.51 -0.07 -0.92 0.00 0.00 175.35 174.49 2kwq h LEU 840 N 10.81 0.00 0.00 3.17 4.07 -2.06 -3.45 115.31 127.84 2kwq h LEU 840 Ca 0.23 0.00 -0.41 0.00 0.08 0.00 0.00 57.88 57.79 2kwq h LEU 840 Cb 0.97 0.00 0.12 0.00 1.08 0.00 0.00 40.66 42.82 2kwq h LEU 840 CO 1.23 0.70 0.24 0.61 -1.08 0.00 0.00 178.44 180.14 2kwq n GLY 841 N 0.66 -0.38 0.00 0.83 0.00 -1.26 -5.34 105.19 99.69 2kwq n GLY 841 Ca -0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 2kwq n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93