#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kn6 s VAL 5 N 0.00 -0.61 0.00 -2.13 -7.23 -1.09 -3.30 120.40 106.04 1kn6 s VAL 5 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1kn6 s VAL 5 Cb 0.00 -0.91 0.00 0.00 0.56 0.00 0.00 36.38 36.03 1kn6 s VAL 5 CO 0.00 0.00 0.00 -3.20 -0.31 0.00 0.00 175.10 171.59 1kn6 n ASN 6 N 5.41 0.02 -4.55 4.85 5.15 -0.90 -4.87 115.26 120.36 1kn6 n ASN 6 Ca -0.02 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.70 1kn6 n ASN 6 Cb 0.53 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.69 1kn6 n ASN 6 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1kn6 s GLU 7 N 4.45 1.99 -0.14 1.20 2.02 -0.53 -4.74 118.70 122.96 1kn6 s GLU 7 Ca 0.00 -1.33 -0.20 0.00 0.02 0.00 0.00 54.97 53.46 1kn6 s GLU 7 Cb 0.00 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 32.09 1kn6 s GLU 7 CO 0.00 0.42 0.58 -0.46 0.02 0.00 0.00 175.26 175.82 1kn6 s TRP 8 N -1.78 3.47 -0.03 1.61 -0.00 -1.06 -1.25 118.94 119.90 1kn6 s TRP 8 Ca 0.25 0.97 0.06 0.00 -0.00 0.00 0.00 56.10 57.38 1kn6 s TRP 8 Cb -0.08 -2.70 -0.01 0.00 -0.00 0.00 0.00 33.47 30.67 1kn6 s TRP 8 CO 0.15 0.01 -0.22 0.00 -0.00 0.00 0.00 176.95 176.89 1kn6 s ALA 9 N 1.17 1.90 0.36 5.86 0.00 -0.82 -0.00 121.76 130.23 1kn6 s ALA 9 Ca 0.29 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 1kn6 s ALA 9 Cb -0.16 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.44 1kn6 s ALA 9 CO 0.12 0.41 0.59 0.00 0.00 0.00 0.00 175.76 176.89 1kn6 s ALA 10 N -0.31 0.26 -0.20 0.00 0.00 -0.02 -3.26 121.76 118.22 1kn6 s ALA 10 Ca 0.02 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 1kn6 s ALA 10 Cb -0.11 0.98 0.06 0.00 0.00 0.00 0.00 23.12 24.05 1kn6 s ALA 10 CO 0.01 -0.86 -0.01 -1.21 0.00 0.00 0.00 175.76 173.69 1kn6 s GLU 11 N -2.73 1.13 -0.11 0.00 2.02 -1.20 -0.98 118.70 116.83 1kn6 s GLU 11 Ca 0.25 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.61 1kn6 s GLU 11 Cb -0.02 -2.26 0.02 0.00 0.10 0.00 0.00 34.13 31.97 1kn6 s GLU 11 CO 0.18 -0.59 -0.12 -1.50 0.02 0.00 0.00 175.26 173.24 1kn6 s ILE 12 N 1.65 1.30 -0.00 -1.63 -1.16 0.33 -3.47 121.20 118.23 1kn6 s ILE 12 Ca -0.02 -0.50 -0.24 0.00 -0.51 0.00 0.00 60.65 59.38 1kn6 s ILE 12 Cb -0.17 -1.23 -0.18 0.00 0.61 0.00 0.00 42.46 41.48 1kn6 s ILE 12 CO -0.07 0.41 1.27 -0.65 -2.81 0.00 0.00 174.94 173.09 1kn6 h PRO 13 N 7.71 0.14 0.00 3.50 0.11 -1.89 -3.36 132.00 138.21 1kn6 h PRO 13 Ca -0.32 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1kn6 h PRO 13 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1kn6 h PRO 13 CO 0.47 0.61 0.00 0.41 -0.21 0.00 0.00 178.00 179.28 1kn6 n GLY 14 N 0.28 0.67 1.42 -0.55 0.00 -1.26 -4.77 105.19 100.98 1kn6 n GLY 14 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1kn6 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kn6 n GLY 15 N 0.64 1.86 0.03 -0.02 0.00 -1.26 -4.36 105.19 102.07 1kn6 n GLY 15 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1kn6 n GLY 15 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1kn6 h GLN 16 N 1.32 -0.06 -0.92 1.61 4.20 -1.87 0.91 115.11 120.31 1kn6 h GLN 16 Ca 0.00 0.00 0.27 0.00 0.06 0.00 0.00 58.65 58.98 1kn6 h GLN 16 Cb 0.76 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.52 1kn6 h GLN 16 CO 0.00 -0.04 0.72 0.93 -0.67 0.00 0.00 178.83 179.77 1kn6 h GLU 17 N -0.08 0.00 0.21 1.46 5.08 -2.01 0.30 114.58 119.54 1kn6 h GLU 17 Ca -0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 1kn6 h GLU 17 Cb 0.05 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.33 1kn6 h GLU 17 CO 0.01 0.00 -1.26 0.00 -1.00 0.00 0.00 179.01 176.76 1kn6 h ALA 18 N 1.43 -0.11 -0.39 3.43 0.00 -1.84 -2.99 119.26 118.79 1kn6 h ALA 18 Ca 0.44 -0.83 0.08 0.00 0.00 0.00 0.00 54.91 54.60 1kn6 h ALA 18 Cb 1.88 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 19.76 1kn6 h ALA 18 CO -0.00 0.60 -0.18 0.00 0.00 0.00 0.00 179.25 179.67 1kn6 h ALA 19 N 0.11 0.12 0.00 0.00 0.00 0.47 0.44 119.26 120.41 1kn6 h ALA 19 Ca -0.23 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1kn6 h ALA 19 Cb 1.97 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 20.18 1kn6 h ALA 19 CO 0.22 -0.54 -0.28 0.77 0.00 0.00 0.00 179.25 179.41 1kn6 h SER 20 N -0.11 0.00 0.90 0.00 0.02 -1.55 -2.51 113.55 110.30 1kn6 h SER 20 Ca 0.19 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.02 1kn6 h SER 20 Cb 0.40 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1kn6 h SER 20 CO -0.45 0.28 -0.57 0.00 -1.14 0.00 0.00 176.83 174.95 1kn6 h ALA 21 N 1.72 0.83 0.58 3.77 0.00 -0.35 -3.17 119.26 122.65 1kn6 h ALA 21 Ca -0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1kn6 h ALA 21 Cb 0.58 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1kn6 h ALA 21 CO 0.04 0.72 -0.28 0.82 0.00 0.00 0.00 179.25 180.54 1kn6 h ILE 22 N 0.00 0.22 -1.04 0.00 2.04 0.14 -0.21 117.51 118.67 1kn6 h ILE 22 Ca -0.01 -0.38 0.26 0.00 1.00 0.00 0.00 64.86 65.74 1kn6 h ILE 22 Cb 1.18 0.31 -0.10 0.00 -0.74 0.00 0.00 36.82 37.47 1kn6 h ILE 22 CO 0.07 0.03 0.66 0.00 0.00 0.00 0.00 178.15 178.92 1kn6 h ALA 23 N -0.91 2.19 -0.01 1.87 0.00 -1.64 0.64 119.26 121.40 1kn6 h ALA 23 Ca -0.08 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1kn6 h ALA 23 Cb 0.65 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1kn6 h ALA 23 CO 0.13 -0.60 -0.76 1.49 0.00 0.00 0.00 179.25 179.51 1kn6 h GLU 24 N 0.41 0.10 -0.01 0.00 4.81 -1.49 0.18 114.58 118.58 1kn6 h GLU 24 Ca 0.60 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.71 1kn6 h GLU 24 Cb 1.48 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.88 1kn6 h GLU 24 CO -0.31 0.80 -0.10 0.93 -0.73 0.00 0.00 179.01 179.60 1kn6 h GLU 25 N 0.06 0.08 0.00 1.92 4.39 0.21 -3.40 114.58 117.83 1kn6 h GLU 25 Ca -0.02 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1kn6 h GLU 25 Cb 1.33 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1kn6 h GLU 25 CO 0.11 0.81 -0.28 1.37 -1.16 0.00 0.00 179.01 179.86 1kn6 h LEU 26 N -0.63 0.00 0.00 1.33 -0.00 -0.94 -3.50 115.31 111.57 1kn6 h LEU 26 Ca -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1kn6 h LEU 26 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.50 1kn6 h LEU 26 CO 0.02 0.65 0.00 0.61 -0.00 0.00 0.00 178.44 179.72 1kn6 n GLY 27 N 1.69 0.09 3.54 0.17 0.00 0.35 -5.02 105.19 106.01 1kn6 n GLY 27 Ca -0.04 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 1kn6 n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kn6 s TYR 28 N 0.00 0.55 -0.58 1.61 1.51 0.29 -4.90 117.35 115.83 1kn6 s TYR 28 Ca 0.00 -0.89 -0.15 0.00 -1.01 0.00 0.00 57.07 55.03 1kn6 s TYR 28 Cb 0.00 0.08 0.14 0.00 -0.11 0.00 0.00 41.96 42.08 1kn6 s TYR 28 CO 0.00 -0.99 0.53 -0.51 -1.11 0.00 0.00 175.55 173.46 1kn6 s ASP 29 N -3.07 6.22 -0.12 2.29 1.01 -0.01 -4.41 116.67 118.58 1kn6 s ASP 29 Ca 0.25 -1.96 -0.22 0.00 0.71 0.00 0.00 52.55 51.33 1kn6 s ASP 29 Cb 0.00 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.71 1kn6 s ASP 29 CO 0.11 -0.79 0.63 -0.22 0.21 0.00 0.00 175.17 175.12 1kn6 s LEU 30 N 1.32 4.25 -0.30 1.23 1.98 -1.26 -0.44 118.68 125.47 1kn6 s LEU 30 Ca 0.06 1.00 -0.01 0.00 -2.89 0.00 0.00 54.13 52.29 1kn6 s LEU 30 Cb -0.26 -2.95 0.13 0.00 0.66 0.00 0.00 46.19 43.77 1kn6 s LEU 30 CO 0.01 -0.15 0.26 -0.76 -1.89 0.00 0.00 176.35 173.82 1kn6 s LEU 31 N 1.14 -0.01 -0.43 -0.68 2.01 0.26 -4.91 118.68 116.06 1kn6 s LEU 31 Ca 0.32 -1.00 0.02 0.00 0.01 0.00 0.00 54.13 53.49 1kn6 s LEU 31 Cb -0.16 0.29 0.14 0.00 0.01 0.00 0.00 46.19 46.47 1kn6 s LEU 31 CO 0.14 -0.39 0.26 -0.83 1.01 0.00 0.00 176.35 176.54 1kn6 s GLY 32 N 2.18 1.49 -0.38 -3.19 0.00 -1.26 -2.52 107.32 103.64 1kn6 s GLY 32 Ca 0.10 -2.46 0.12 0.00 0.00 0.00 0.00 44.72 42.48 1kn6 s GLY 32 CO -0.30 1.72 1.12 -1.06 0.00 0.00 0.00 173.10 174.57 1kn6 n GLN 33 N 3.51 1.13 0.27 2.90 6.02 -1.23 -4.66 117.38 125.32 1kn6 n GLN 33 Ca 0.12 -2.49 0.13 0.00 -0.01 0.00 0.00 57.00 54.76 1kn6 n GLN 33 Cb 0.37 -0.78 0.83 0.00 1.02 0.00 0.00 30.24 31.67 1kn6 n GLN 33 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 177.06 175.21 1kn6 h ILE 34 N 2.36 0.66 0.00 5.09 -0.00 -1.93 -3.46 117.51 120.23 1kn6 h ILE 34 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.71 1kn6 h ILE 34 Cb 1.19 0.98 0.00 0.00 -0.00 0.00 0.00 36.82 38.99 1kn6 h ILE 34 CO 0.21 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.97 1kn6 n GLY 35 N -1.40 1.36 0.34 0.16 0.00 -1.26 -4.61 105.19 99.77 1kn6 n GLY 35 Ca -0.02 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.13 1kn6 n GLY 35 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kn6 h SER 36 N 0.00 -0.41 0.00 1.61 0.02 -2.05 -1.63 113.55 111.09 1kn6 h SER 36 Ca 0.00 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1kn6 h SER 36 Cb 0.00 0.46 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1kn6 h SER 36 CO 0.00 -0.35 -0.38 0.00 -1.14 0.00 0.00 176.83 174.96 1kn6 n LEU 37 N -5.46 0.14 -2.14 5.07 -0.00 -1.26 -5.09 117.00 108.26 1kn6 n LEU 37 Ca 0.24 -0.40 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1kn6 n LEU 37 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.21 1kn6 n LEU 37 CO -0.06 0.04 -0.11 -1.84 -0.00 0.00 0.00 177.39 175.42 1kn6 n GLU 38 N -1.20 -0.64 0.00 1.47 0.28 -0.62 -4.78 120.64 115.16 1kn6 n GLU 38 Ca 0.00 0.73 0.00 0.00 -0.16 0.00 0.00 57.16 57.73 1kn6 n GLU 38 Cb 0.07 -0.58 0.00 0.00 1.43 0.00 0.00 31.44 32.35 1kn6 n GLU 38 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1kn6 n ASN 39 N 1.81 0.00 -4.77 -1.84 0.23 -1.26 -4.85 115.26 104.59 1kn6 n ASN 39 Ca 0.00 0.00 -0.39 0.00 -0.53 0.00 0.00 54.58 53.66 1kn6 n ASN 39 Cb 0.11 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 37.82 1kn6 n ASN 39 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1kn6 s HIS 40 N 0.00 2.57 -0.13 -2.53 2.46 -1.26 0.12 115.29 116.53 1kn6 s HIS 40 Ca 0.00 1.33 -0.09 0.00 0.47 0.00 0.00 55.06 56.77 1kn6 s HIS 40 Cb 0.00 -3.81 0.04 0.00 -0.13 0.00 0.00 32.58 28.68 1kn6 s HIS 40 CO 0.00 -2.61 0.32 0.71 -2.47 0.00 0.00 174.74 170.69 1kn6 s TYR 41 N -1.24 -0.42 0.09 3.88 1.51 -0.15 -3.47 117.35 117.55 1kn6 s TYR 41 Ca 0.61 0.96 0.03 0.00 -1.01 0.00 0.00 57.07 57.66 1kn6 s TYR 41 Cb -0.41 0.14 -0.03 0.00 -0.11 0.00 0.00 41.96 41.54 1kn6 s TYR 41 CO 0.52 -0.24 -0.10 -0.48 -1.11 0.00 0.00 175.55 174.15 1kn6 s LEU 42 N 0.89 2.39 0.22 -1.29 2.34 -1.05 -0.84 118.68 121.34 1kn6 s LEU 42 Ca -0.06 -0.79 0.09 0.00 0.06 0.00 0.00 54.13 53.43 1kn6 s LEU 42 Cb -0.07 -0.27 -0.04 0.00 -0.56 0.00 0.00 46.19 45.25 1kn6 s LEU 42 CO -0.06 -0.27 -0.02 -0.36 -1.06 0.00 0.00 176.35 174.57 1kn6 s PHE 43 N -2.39 2.71 -0.21 3.48 0.40 0.99 0.89 117.98 123.86 1kn6 s PHE 43 Ca 0.04 -0.20 -0.05 0.00 -0.60 0.00 0.00 56.93 56.12 1kn6 s PHE 43 Cb -0.03 -1.26 0.10 0.00 0.51 0.00 0.00 43.02 42.35 1kn6 s PHE 43 CO -0.00 0.57 0.37 0.15 0.70 0.00 0.00 175.22 177.01 1kn6 s LYS 44 N -3.31 0.30 -0.32 0.44 3.01 0.42 -2.56 119.74 117.72 1kn6 s LYS 44 Ca 0.29 0.76 0.05 0.00 -1.01 0.00 0.00 55.97 56.06 1kn6 s LYS 44 Cb -0.08 -0.11 0.21 0.00 -1.01 0.00 0.00 37.83 36.84 1kn6 s LYS 44 CO 0.18 -0.43 1.17 1.58 0.51 0.00 0.00 175.35 178.36 1kn6 n HIS 45 N 5.37 -1.26 -3.18 3.18 -0.00 -1.26 -0.83 115.22 117.24 1kn6 n HIS 45 Ca -0.06 -1.19 -0.44 0.00 0.46 0.00 0.00 57.72 56.49 1kn6 n HIS 45 Cb 0.50 1.32 -0.06 0.00 -0.12 0.00 0.00 29.99 31.63 1kn6 n HIS 45 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1kn6 s LYS 46 N 0.10 3.07 0.00 1.57 -0.14 -1.26 -4.74 119.74 118.34 1kn6 s LYS 46 Ca 0.10 -1.12 0.03 0.00 -1.36 0.00 0.00 55.97 53.63 1kn6 s LYS 46 Cb 0.21 -4.16 0.06 0.00 -1.68 0.00 0.00 37.83 32.26 1kn6 s LYS 46 CO -0.05 -1.30 0.88 0.45 -0.76 0.00 0.00 175.35 174.58 1kn6 n SER 47 N 6.04 -0.37 0.04 2.83 2.88 -1.26 -4.98 113.62 118.80 1kn6 n SER 47 Ca -0.09 -1.72 0.00 0.00 -1.33 0.00 0.00 58.87 55.74 1kn6 n SER 47 Cb 0.44 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1kn6 n SER 47 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1kn6 n HIS 48 N 0.07 -0.20 -1.24 0.66 8.25 -1.26 -5.10 115.22 116.39 1kn6 n HIS 48 Ca -0.13 0.03 -0.20 0.00 -0.26 0.00 0.00 57.72 57.16 1kn6 n HIS 48 Cb 0.70 0.07 0.15 0.00 1.12 0.00 0.00 29.99 32.04 1kn6 n HIS 48 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1kn6 n PRO 49 N -3.25 -1.66 -2.85 -0.41 -0.02 -1.26 -5.03 135.00 120.52 1kn6 n PRO 49 Ca 0.00 -1.27 -0.19 0.00 -2.02 0.00 0.00 63.50 60.02 1kn6 n PRO 49 Cb 0.19 -1.01 -0.01 0.00 -0.02 0.00 0.00 33.50 32.65 1kn6 n PRO 49 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1kn6 n ARG 50 N -3.31 1.94 -3.57 -0.52 1.74 -1.26 -4.98 116.66 106.70 1kn6 n ARG 50 Ca 0.11 -3.85 -0.18 0.00 -0.77 0.00 0.00 57.85 53.16 1kn6 n ARG 50 Cb 0.39 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1kn6 n ARG 50 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1kn6 n ARG 51 N -0.07 -1.44 0.00 5.56 1.85 -1.26 -4.60 116.66 116.70 1kn6 n ARG 51 Ca 0.24 0.96 0.00 0.00 -1.00 0.00 0.00 57.85 58.05 1kn6 n ARG 51 Cb 0.65 -3.45 0.00 0.00 -1.05 0.00 0.00 32.46 28.61 1kn6 n ARG 51 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1kn6 n SER 52 N -2.35 0.00 -4.58 2.89 7.64 -1.21 -3.36 113.62 112.66 1kn6 n SER 52 Ca -0.21 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.25 1kn6 n SER 52 Cb 0.63 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.82 1kn6 n SER 52 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1kn6 s ARG 53 N 0.00 3.86 0.23 1.43 3.52 -1.26 -4.94 118.95 121.79 1kn6 s ARG 53 Ca 0.00 -1.82 -0.32 0.00 -0.13 0.00 0.00 55.73 53.46 1kn6 s ARG 53 Cb 0.00 -5.50 -0.12 0.00 -1.56 0.00 0.00 34.95 27.77 1kn6 s ARG 53 CO 0.00 -2.32 1.65 2.89 -0.81 0.00 0.00 175.30 176.70 1kn6 n ARG 54 N 8.48 2.64 0.00 5.12 -4.01 -1.26 -4.70 116.66 122.93 1kn6 n ARG 54 Ca 0.46 0.95 0.00 0.00 -1.04 0.00 0.00 57.85 58.22 1kn6 n ARG 54 Cb 0.47 -2.76 0.00 0.00 -3.04 0.00 0.00 32.46 27.13 1kn6 n ARG 54 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 1kn6 n SER 55 N 3.20 0.00 -3.68 2.89 2.88 -1.26 -5.06 113.62 112.58 1kn6 n SER 55 Ca 0.13 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.45 1kn6 n SER 55 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 1kn6 n SER 55 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kn6 n ALA 56 N -3.00 -2.74 -0.02 -1.46 0.00 -1.26 -4.95 120.51 107.08 1kn6 n ALA 56 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 53.44 53.18 1kn6 n ALA 56 Cb 0.00 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 1kn6 n ALA 56 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1kn6 h LEU 57 N -0.36 0.00 -0.59 0.00 8.10 -1.97 -3.34 115.31 117.14 1kn6 h LEU 57 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.45 1kn6 h LEU 57 Cb 1.33 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.55 1kn6 h LEU 57 CO 0.37 0.19 0.00 0.00 -4.11 0.00 0.00 178.44 174.89 1kn6 n HIS 58 N -2.86 0.53 0.98 0.17 1.44 -1.26 -1.29 115.22 112.94 1kn6 n HIS 58 Ca -0.02 0.22 0.10 0.00 -2.01 0.00 0.00 57.72 56.02 1kn6 n HIS 58 Cb 0.06 -0.86 0.31 0.00 0.12 0.00 0.00 29.99 29.62 1kn6 n HIS 58 CO 0.00 0.00 0.00 1.51 -2.81 0.00 0.00 176.34 175.04 1kn6 n ILE 59 N -2.00 0.31 -2.02 0.61 0.00 -1.26 -3.91 119.36 111.09 1kn6 n ILE 59 Ca 0.02 -0.45 -0.20 0.00 0.00 0.00 0.00 62.75 62.12 1kn6 n ILE 59 Cb 0.16 0.47 0.04 0.00 0.00 0.00 0.00 39.64 40.31 1kn6 n ILE 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1kn6 n THR 60 N 0.59 2.43 0.00 9.51 -1.04 -0.41 -4.49 114.28 120.87 1kn6 n THR 60 Ca 0.16 -4.05 0.00 0.00 -2.04 0.00 0.00 64.05 58.12 1kn6 n THR 60 Cb 0.38 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 1kn6 n THR 60 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1kn6 n LYS 61 N -0.74 0.00 0.24 -2.82 -0.00 -1.25 -4.80 118.16 108.79 1kn6 n LYS 61 Ca 0.40 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.83 1kn6 n LYS 61 Cb 0.94 0.00 0.53 0.00 -0.00 0.00 0.00 35.03 36.50 1kn6 n LYS 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1kn6 h ARG 62 N 0.00 0.00 0.45 -1.58 2.47 -1.88 -1.42 114.38 112.42 1kn6 h ARG 62 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1kn6 h ARG 62 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1kn6 h ARG 62 CO 0.00 0.16 -0.21 1.25 0.56 0.00 0.00 179.97 181.72 1kn6 h LEU 63 N 0.00 -0.51 -1.16 3.04 5.85 -1.86 0.87 115.31 121.54 1kn6 h LEU 63 Ca -0.00 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1kn6 h LEU 63 Cb 0.66 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1kn6 h LEU 63 CO 0.02 -0.11 0.15 0.77 -0.34 0.00 0.00 178.44 178.93 1kn6 h SER 64 N -0.99 0.68 -0.14 1.25 4.64 -1.82 1.05 113.55 118.21 1kn6 h SER 64 Ca -0.06 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.11 1kn6 h SER 64 Cb 0.57 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1kn6 h SER 64 CO 0.10 0.65 -0.09 0.44 -0.87 0.00 0.00 176.83 177.06 1kn6 h ASP 65 N 0.72 0.33 0.13 4.97 5.19 -1.20 -2.57 116.42 123.98 1kn6 h ASP 65 Ca 0.17 -0.44 -0.19 0.00 -0.62 0.00 0.00 57.03 55.95 1kn6 h ASP 65 Cb 0.22 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 39.66 1kn6 h ASP 65 CO -0.01 0.70 -0.89 0.44 -3.12 0.00 0.00 179.24 176.36 1kn6 h ASP 66 N -0.03 0.42 0.00 6.45 3.32 0.99 -3.28 116.42 124.29 1kn6 h ASP 66 Ca 0.03 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.15 1kn6 h ASP 66 Cb 0.58 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1kn6 h ASP 66 CO 0.03 1.42 0.00 -0.67 -1.72 0.00 0.00 179.24 178.29 1kn6 n ASP 67 N -4.12 0.00 -0.10 6.45 -0.08 0.36 -3.38 116.55 115.68 1kn6 n ASP 67 Ca -0.16 -0.73 0.26 0.00 -1.51 0.00 0.00 54.79 52.65 1kn6 n ASP 67 Cb 0.82 0.00 0.65 0.00 2.34 0.00 0.00 41.12 44.93 1kn6 n ASP 67 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1kn6 h ARG 68 N 0.00 0.00 -0.16 -0.67 3.08 -1.52 -2.74 114.38 112.38 1kn6 h ARG 68 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1kn6 h ARG 68 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1kn6 h ARG 68 CO 0.00 0.00 -0.09 1.33 -1.07 0.00 0.00 179.97 180.14 1kn6 n VAL 69 N -3.63 -0.11 0.00 2.04 0.24 -1.22 -4.46 118.33 111.19 1kn6 n VAL 69 Ca 0.17 0.44 0.00 0.00 -2.04 0.00 0.00 64.34 62.91 1kn6 n VAL 69 Cb 1.06 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 1kn6 n VAL 69 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1kn6 n THR 70 N -3.79 0.00 -3.72 3.34 -1.04 -1.03 -4.92 114.28 103.13 1kn6 n THR 70 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.89 1kn6 n THR 70 Cb 0.04 -0.07 -0.07 0.00 -1.82 0.00 0.00 70.33 68.41 1kn6 n THR 70 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 1kn6 s TRP 71 N -0.56 -0.20 -0.24 -1.42 1.48 -1.23 -5.09 118.94 111.69 1kn6 s TRP 71 Ca 0.00 0.18 -0.02 0.00 -1.06 0.00 0.00 56.10 55.20 1kn6 s TRP 71 Cb 0.00 0.15 0.13 0.00 -1.16 0.00 0.00 33.47 32.59 1kn6 s TRP 71 CO 0.00 -0.50 0.36 0.00 -4.06 0.00 0.00 176.95 172.75 1kn6 s ALA 72 N -2.15 -0.96 0.05 2.67 0.00 -1.26 -3.23 121.76 116.87 1kn6 s ALA 72 Ca -0.08 0.70 0.07 0.00 0.00 0.00 0.00 51.96 52.65 1kn6 s ALA 72 Cb -0.02 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 1kn6 s ALA 72 CO -0.00 -1.32 -0.18 -2.00 0.00 0.00 0.00 175.76 172.25 1kn6 s GLU 73 N 2.51 1.18 0.44 0.00 2.56 -1.20 -4.95 118.70 119.23 1kn6 s GLU 73 Ca 0.12 -0.92 -0.03 0.00 0.00 0.00 0.00 54.97 54.13 1kn6 s GLU 73 Cb -0.15 -1.28 -0.03 0.00 2.00 0.00 0.00 34.13 34.67 1kn6 s GLU 73 CO -0.17 0.32 0.71 -0.65 -0.56 0.00 0.00 175.26 174.91 1kn6 s GLN 74 N -1.30 3.49 -0.09 4.30 1.11 -1.26 -1.95 119.66 123.96 1kn6 s GLN 74 Ca 0.05 0.01 0.01 0.00 0.01 0.00 0.00 55.36 55.44 1kn6 s GLN 74 Cb -0.09 -2.46 0.02 0.00 -1.01 0.00 0.00 33.01 29.47 1kn6 s GLN 74 CO 0.02 -0.12 -0.10 -1.14 0.01 0.00 0.00 175.29 173.97 1kn6 s GLN 75 N -4.62 1.56 0.00 2.91 0.74 -0.38 -4.81 119.66 115.07 1kn6 s GLN 75 Ca 0.45 -0.32 0.09 0.00 0.05 0.00 0.00 55.36 55.63 1kn6 s GLN 75 Cb -0.10 -1.45 0.07 0.00 1.10 0.00 0.00 33.01 32.62 1kn6 s GLN 75 CO 0.42 -0.12 0.78 0.66 -0.55 0.00 0.00 175.29 176.48