#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 0.00 0.00 -2.13 0.11 -1.25 -3.88 120.40 113.25 1kn6 s VAL 5 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1kn6 s VAL 5 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1kn6 s VAL 5 CO 0.00 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.57 1kn6 n ASN 6 N 0.42 0.00 -3.68 3.54 2.85 -0.72 -2.34 115.26 115.33 1kn6 n ASN 6 Ca 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.37 1kn6 n ASN 6 Cb 0.58 0.03 -0.11 0.00 1.24 0.00 0.00 39.78 41.52 1kn6 n ASN 6 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1kn6 s GLU 7 N -0.18 0.30 -0.41 1.20 -1.05 -1.20 -4.72 118.70 112.64 1kn6 s GLU 7 Ca 0.00 0.87 -0.22 0.00 -0.15 0.00 0.00 54.97 55.46 1kn6 s GLU 7 Cb 0.00 0.12 0.02 0.00 -0.44 0.00 0.00 34.13 33.83 1kn6 s GLU 7 CO 0.00 -0.22 0.75 -0.46 0.95 0.00 0.00 175.26 176.27 1kn6 s TRP 8 N 2.10 3.06 -0.08 4.83 -0.00 0.47 -0.76 118.94 128.55 1kn6 s TRP 8 Ca -0.04 0.28 -0.01 0.00 -0.00 0.00 0.00 56.10 56.32 1kn6 s TRP 8 Cb -0.11 -3.48 -0.03 0.00 -0.00 0.00 0.00 33.47 29.85 1kn6 s TRP 8 CO -0.12 -0.85 -0.01 0.00 -0.00 0.00 0.00 176.95 175.97 1kn6 s ALA 9 N 3.10 3.23 0.21 5.86 0.00 -0.67 0.16 121.76 133.66 1kn6 s ALA 9 Ca 0.29 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 1kn6 s ALA 9 Cb -0.13 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.55 1kn6 s ALA 9 CO 0.20 0.58 0.43 0.00 0.00 0.00 0.00 175.76 176.96 1kn6 s ALA 10 N -0.85 -0.28 -0.12 0.00 0.00 0.39 -3.19 121.76 117.71 1kn6 s ALA 10 Ca 0.13 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1kn6 s ALA 10 Cb -0.11 0.98 0.02 0.00 0.00 0.00 0.00 23.12 24.01 1kn6 s ALA 10 CO 0.02 -0.78 -0.11 -1.21 0.00 0.00 0.00 175.76 173.68 1kn6 s GLU 11 N -3.98 1.84 -0.25 0.00 2.02 -1.20 0.13 118.70 117.27 1kn6 s GLU 11 Ca 0.19 -0.39 -0.02 0.00 0.02 0.00 0.00 54.97 54.77 1kn6 s GLU 11 Cb 0.00 -1.76 0.13 0.00 0.10 0.00 0.00 34.13 32.61 1kn6 s GLU 11 CO 0.04 -0.21 0.36 -1.50 0.02 0.00 0.00 175.26 173.97 1kn6 s ILE 12 N 1.48 -0.57 -0.53 -1.63 -1.16 -0.87 -3.37 121.20 114.55 1kn6 s ILE 12 Ca 0.02 -0.12 -0.05 0.00 -0.51 0.00 0.00 60.65 59.99 1kn6 s ILE 12 Cb -0.13 -0.83 -0.05 0.00 0.61 0.00 0.00 42.46 42.06 1kn6 s ILE 12 CO -0.07 -0.17 1.66 -0.81 -2.81 0.00 0.00 174.94 172.74 1kn6 n PRO 13 N 5.36 1.20 0.00 3.50 -0.04 -1.20 -3.56 135.00 140.25 1kn6 n PRO 13 Ca -0.03 -1.10 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1kn6 n PRO 13 Cb 0.50 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 1kn6 n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kn6 n GLY 14 N 3.93 -0.66 2.40 0.55 0.00 -0.63 -4.95 105.19 105.84 1kn6 n GLY 14 Ca 0.28 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 -0.21 0.00 -0.02 0.00 -1.26 -4.78 105.19 98.92 1kn6 n GLY 15 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1kn6 n GLY 15 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kn6 n GLN 16 N -1.83 0.00 0.30 1.61 6.02 -1.26 0.13 117.38 122.35 1kn6 n GLN 16 Ca 0.04 0.18 0.20 0.00 -0.01 0.00 0.00 57.00 57.41 1kn6 n GLN 16 Cb 0.22 -1.05 0.94 0.00 1.02 0.00 0.00 30.24 31.37 1kn6 n GLN 16 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1kn6 h GLU 17 N 0.00 0.00 0.00 -1.09 3.07 -1.99 -2.75 114.58 111.82 1kn6 h GLU 17 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1kn6 h GLU 17 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1kn6 h GLU 17 CO 0.00 0.00 -0.02 0.00 -1.40 0.00 0.00 179.01 177.59 1kn6 h ALA 18 N 2.01 0.00 -0.72 3.43 0.00 -1.92 -2.25 119.26 119.81 1kn6 h ALA 18 Ca 0.00 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.05 1kn6 h ALA 18 Cb 0.24 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.93 1kn6 h ALA 18 CO 0.00 0.02 0.03 0.00 0.00 0.00 0.00 179.25 179.30 1kn6 h ALA 19 N -1.00 0.77 0.00 0.00 0.00 0.10 1.05 119.26 120.19 1kn6 h ALA 19 Ca -0.00 0.22 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1kn6 h ALA 19 Cb 0.02 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1kn6 h ALA 19 CO -0.00 -0.41 -0.44 1.03 0.00 0.00 0.00 179.25 179.43 1kn6 h SER 20 N 0.13 0.00 0.89 0.00 0.87 -1.63 -2.67 113.55 111.14 1kn6 h SER 20 Ca 0.39 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.82 1kn6 h SER 20 Cb 0.68 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 1kn6 h SER 20 CO -0.61 0.44 -0.64 0.00 -0.53 0.00 0.00 176.83 175.49 1kn6 h ALA 21 N 1.56 0.78 0.60 6.23 0.00 0.14 -3.16 119.26 125.42 1kn6 h ALA 21 Ca -0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1kn6 h ALA 21 Cb 0.80 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1kn6 h ALA 21 CO 0.06 0.80 -0.29 0.82 0.00 0.00 0.00 179.25 180.63 1kn6 h ILE 22 N 0.00 0.01 -1.09 0.00 2.04 0.87 -1.17 117.51 118.16 1kn6 h ILE 22 Ca -0.01 -0.41 0.32 0.00 1.00 0.00 0.00 64.86 65.76 1kn6 h ILE 22 Cb 1.25 0.01 -0.12 0.00 -0.74 0.00 0.00 36.82 37.23 1kn6 h ILE 22 CO 0.08 0.00 0.68 0.00 0.00 0.00 0.00 178.15 178.92 1kn6 h ALA 23 N -1.21 2.24 -0.02 1.87 0.00 -1.63 1.18 119.26 121.70 1kn6 h ALA 23 Ca -0.08 0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1kn6 h ALA 23 Cb 0.62 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1kn6 h ALA 23 CO 0.14 -0.76 -0.73 0.93 0.00 0.00 0.00 179.25 178.83 1kn6 h GLU 24 N 0.32 0.11 0.00 0.00 5.08 -1.50 1.03 114.58 119.63 1kn6 h GLU 24 Ca 0.69 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1kn6 h GLU 24 Cb 1.77 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.04 1kn6 h GLU 24 CO -0.41 0.79 -0.00 1.49 -1.00 0.00 0.00 179.01 179.87 1kn6 h GLU 25 N 0.07 0.00 0.00 2.33 4.57 0.25 -3.37 114.58 118.44 1kn6 h GLU 25 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1kn6 h GLU 25 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1kn6 h GLU 25 CO 0.10 0.00 0.00 1.47 -1.18 0.00 0.00 179.01 179.40 1kn6 n LEU 26 N -2.71 0.18 -1.02 1.64 -0.00 0.70 -4.92 117.00 110.86 1kn6 n LEU 26 Ca -0.00 0.54 0.00 0.00 -0.00 0.00 0.00 56.01 56.55 1kn6 n LEU 26 Cb 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 42.91 1kn6 n LEU 26 CO 0.00 -0.31 0.00 0.61 -0.00 0.00 0.00 177.39 177.69 1kn6 n GLY 27 N 0.08 0.41 3.48 1.47 0.00 -0.67 -4.75 105.19 105.21 1kn6 n GLY 27 Ca 0.03 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 1kn6 n GLY 27 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1kn6 n TYR 28 N -0.82 -1.62 -3.69 1.61 4.02 0.35 -4.88 117.16 112.13 1kn6 n TYR 28 Ca 0.00 -2.31 -0.38 0.00 -0.01 0.00 0.00 57.90 55.20 1kn6 n TYR 28 Cb 0.34 0.62 -0.11 0.00 -0.02 0.00 0.00 39.34 40.17 1kn6 n TYR 28 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1kn6 s ASP 29 N -3.19 5.44 -0.14 7.72 1.01 -1.18 -4.18 116.67 122.15 1kn6 s ASP 29 Ca 0.27 -1.62 -0.21 0.00 0.71 0.00 0.00 52.55 51.70 1kn6 s ASP 29 Cb -0.02 -1.91 -0.03 0.00 1.01 0.00 0.00 42.92 41.97 1kn6 s ASP 29 CO 0.20 -0.50 0.62 -0.22 0.21 0.00 0.00 175.17 175.47 1kn6 s LEU 30 N 1.33 4.23 -0.30 1.23 1.98 -1.26 -2.03 118.68 123.86 1kn6 s LEU 30 Ca 0.03 0.95 -0.01 0.00 -2.89 0.00 0.00 54.13 52.21 1kn6 s LEU 30 Cb -0.23 -2.91 0.13 0.00 0.66 0.00 0.00 46.19 43.84 1kn6 s LEU 30 CO -0.00 -0.17 0.26 -0.76 -1.89 0.00 0.00 176.35 173.79 1kn6 s LEU 31 N 1.29 0.02 -0.26 -0.68 2.01 0.12 -4.90 118.68 116.28 1kn6 s LEU 31 Ca 0.31 -1.04 0.03 0.00 0.01 0.00 0.00 54.13 53.44 1kn6 s LEU 31 Cb -0.16 0.27 0.06 0.00 0.01 0.00 0.00 46.19 46.37 1kn6 s LEU 31 CO 0.13 -0.38 -0.08 -0.83 1.01 0.00 0.00 176.35 176.19 1kn6 s GLY 32 N 2.14 1.63 -0.46 -3.19 0.00 -1.25 -1.80 107.32 104.38 1kn6 s GLY 32 Ca 0.10 -1.79 0.06 0.00 0.00 0.00 0.00 44.72 43.10 1kn6 s GLY 32 CO -0.29 0.70 0.67 -0.18 0.00 0.00 0.00 173.10 174.00 1kn6 n GLN 33 N 4.45 0.62 -0.32 2.90 7.27 -0.40 -4.77 117.38 127.12 1kn6 n GLN 33 Ca -0.12 -2.41 0.15 0.00 0.07 0.00 0.00 57.00 54.70 1kn6 n GLN 33 Cb 0.42 -1.43 0.31 0.00 2.41 0.00 0.00 30.24 31.95 1kn6 n GLN 33 CO 0.00 0.00 0.00 -0.84 0.07 0.00 0.00 177.06 176.29 1kn6 h ILE 34 N 3.41 0.11 0.00 1.69 -0.00 -1.84 -3.45 117.51 117.43 1kn6 h ILE 34 Ca 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1kn6 h ILE 34 Cb 0.99 0.04 0.00 0.00 -0.00 0.00 0.00 36.82 37.85 1kn6 h ILE 34 CO 0.30 0.01 0.00 0.61 -0.00 0.00 0.00 178.15 179.07 1kn6 n GLY 35 N -1.44 1.50 0.56 0.16 0.00 -1.26 -4.98 105.19 99.72 1kn6 n GLY 35 Ca 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.21 1kn6 n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kn6 n SER 36 N 0.00 1.41 0.00 1.61 7.64 -1.26 -5.10 113.62 117.92 1kn6 n SER 36 Ca 0.00 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1kn6 n SER 36 Cb 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1kn6 n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kn6 n LEU 37 N -3.87 0.00 -2.79 -3.43 -0.00 -1.26 -5.09 117.00 100.56 1kn6 n LEU 37 Ca -0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.84 1kn6 n LEU 37 Cb 0.24 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.73 1kn6 n LEU 37 CO 0.10 0.00 0.23 -0.62 -0.00 0.00 0.00 177.39 177.10 1kn6 n GLU 38 N 0.00 0.94 -1.75 1.47 -0.58 -1.26 -4.68 120.64 114.77 1kn6 n GLU 38 Ca 0.00 -2.05 0.00 0.00 -0.42 0.00 0.00 57.16 54.69 1kn6 n GLU 38 Cb 0.00 -1.21 0.06 0.00 -0.57 0.00 0.00 31.44 29.72 1kn6 n GLU 38 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1kn6 n ASN 39 N 0.74 1.73 -3.38 1.62 0.23 -1.23 -1.60 115.26 113.36 1kn6 n ASN 39 Ca 0.09 -2.56 -0.12 0.00 -0.53 0.00 0.00 54.58 51.46 1kn6 n ASN 39 Cb 0.67 -0.40 -0.09 0.00 -2.08 0.00 0.00 39.78 37.89 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 -2.03 -0.68 0.01 -2.53 2.46 -1.26 -2.06 115.29 109.21 1kn6 s HIS 40 Ca 0.35 0.46 0.04 0.00 0.47 0.00 0.00 55.06 56.38 1kn6 s HIS 40 Cb 0.37 -0.17 -0.01 0.00 -0.13 0.00 0.00 32.58 32.64 1kn6 s HIS 40 CO -0.09 -0.77 -0.13 0.71 -2.47 0.00 0.00 174.74 171.99 1kn6 s TYR 41 N 2.47 1.16 0.13 3.88 1.51 0.35 -1.28 117.35 125.57 1kn6 s TYR 41 Ca 0.10 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 1kn6 s TYR 41 Cb -0.15 -0.73 -0.04 0.00 -0.11 0.00 0.00 41.96 40.93 1kn6 s TYR 41 CO -0.20 -0.00 -0.03 -0.48 -1.11 0.00 0.00 175.55 173.72 1kn6 s LEU 42 N -0.57 2.32 0.06 -1.29 2.34 -0.75 0.15 118.68 120.93 1kn6 s LEU 42 Ca 0.04 -1.08 0.05 0.00 0.06 0.00 0.00 54.13 53.20 1kn6 s LEU 42 Cb -0.06 -0.03 -0.03 0.00 -0.56 0.00 0.00 46.19 45.51 1kn6 s LEU 42 CO 0.00 -0.52 -0.14 -0.36 -1.06 0.00 0.00 176.35 174.26 1kn6 s PHE 43 N -3.67 1.23 -0.25 3.48 0.40 0.42 0.13 117.98 119.72 1kn6 s PHE 43 Ca 0.17 -0.41 -0.02 0.00 -0.60 0.00 0.00 56.93 56.07 1kn6 s PHE 43 Cb 0.06 -0.71 0.14 0.00 0.51 0.00 0.00 43.02 43.01 1kn6 s PHE 43 CO -0.01 0.05 0.37 0.15 0.70 0.00 0.00 175.22 176.48 1kn6 s LYS 44 N -1.49 0.35 -0.31 0.44 3.01 -0.86 -0.39 119.74 120.49 1kn6 s LYS 44 Ca -0.00 0.38 -0.08 0.00 -1.01 0.00 0.00 55.97 55.26 1kn6 s LYS 44 Cb -0.09 -0.51 0.19 0.00 -1.01 0.00 0.00 37.83 36.41 1kn6 s LYS 44 CO 0.02 -0.75 0.97 -1.58 0.51 0.00 0.00 175.35 174.52 1kn6 s HIS 45 N 2.52 -0.68 0.00 3.18 2.46 -1.26 -3.13 115.29 118.37 1kn6 s HIS 45 Ca 0.11 0.33 0.00 0.00 0.47 0.00 0.00 55.06 55.98 1kn6 s HIS 45 Cb -0.15 0.12 0.00 0.00 -0.13 0.00 0.00 32.58 32.42 1kn6 s HIS 45 CO -0.20 -0.41 0.00 1.63 -2.47 0.00 0.00 174.74 173.29 1kn6 n LYS 46 N 4.85 0.00 -1.13 2.88 4.01 -1.26 -4.93 118.16 122.58 1kn6 n LYS 46 Ca 0.08 0.05 -0.05 0.00 -0.51 0.00 0.00 58.31 57.88 1kn6 n LYS 46 Cb 0.58 -0.32 -0.02 0.00 -0.51 0.00 0.00 35.03 34.76 1kn6 n LYS 46 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1kn6 n SER 47 N -1.37 -5.07 0.00 4.39 7.64 -1.26 -4.17 113.62 113.77 1kn6 n SER 47 Ca 0.00 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1kn6 n SER 47 Cb 0.00 -2.98 0.00 0.00 -1.01 0.00 0.00 64.21 60.22 1kn6 n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kn6 n HIS 48 N -2.36 0.00 -3.47 1.43 1.44 -1.26 -5.15 115.22 105.85 1kn6 n HIS 48 Ca -0.05 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.32 1kn6 n HIS 48 Cb 0.40 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.46 1kn6 n HIS 48 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1kn6 s PRO 49 N 0.00 3.86 0.15 -1.40 0.05 -1.26 -5.07 135.00 131.32 1kn6 s PRO 49 Ca 0.00 0.32 0.09 0.00 0.05 0.00 0.00 61.00 61.46 1kn6 s PRO 49 Cb 0.00 -2.95 -0.04 0.00 0.05 0.00 0.00 34.50 31.56 1kn6 s PRO 49 CO 0.00 0.51 -0.20 1.03 0.05 0.00 0.00 177.00 178.38 1kn6 s ARG 50 N -1.99 1.27 -0.30 4.56 3.00 -1.26 -4.78 118.95 119.45 1kn6 s ARG 50 Ca 0.36 -1.34 -0.37 0.00 0.00 0.00 0.00 55.73 54.37 1kn6 s ARG 50 Cb -0.14 -1.46 -0.13 0.00 0.00 0.00 0.00 34.95 33.22 1kn6 s ARG 50 CO 0.19 0.32 1.99 0.54 0.00 0.00 0.00 175.30 178.33 1kn6 n ARG 51 N 0.57 1.21 -2.32 3.54 3.00 -0.99 -2.11 116.66 119.56 1kn6 n ARG 51 Ca -0.15 0.40 -0.01 0.00 -0.01 0.00 0.00 57.85 58.07 1kn6 n ARG 51 Cb 0.56 -2.31 0.00 0.00 0.00 0.00 0.00 32.46 30.70 1kn6 n ARG 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1kn6 n SER 52 N 7.70 -5.96 0.00 0.55 2.88 -1.26 -4.59 113.62 112.94 1kn6 n SER 52 Ca 0.34 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1kn6 n SER 52 Cb 0.19 -3.87 0.00 0.00 -0.75 0.00 0.00 64.21 59.78 1kn6 n SER 52 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1kn6 n ARG 53 N 0.24 0.00 -3.64 -1.46 1.74 -1.19 -4.52 116.66 107.84 1kn6 n ARG 53 Ca 0.02 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.00 1kn6 n ARG 53 Cb 0.08 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.45 1kn6 n ARG 53 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1kn6 s ARG 54 N -1.66 0.68 1.05 5.56 1.70 -1.26 -4.75 118.95 120.27 1kn6 s ARG 54 Ca 0.00 0.90 -0.13 0.00 -0.47 0.00 0.00 55.73 56.03 1kn6 s ARG 54 Cb 0.00 0.28 0.16 0.00 -0.57 0.00 0.00 34.95 34.83 1kn6 s ARG 54 CO 0.00 -0.10 0.72 0.45 -1.08 0.00 0.00 175.30 175.29 1kn6 n SER 55 N 2.95 -1.39 -3.96 -2.89 2.88 -1.26 -2.50 113.62 107.45 1kn6 n SER 55 Ca -0.15 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1kn6 n SER 55 Cb 0.56 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 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 -4.40 0.00 0.05 -1.46 0.00 -1.25 -4.89 120.51 108.55 1kn6 n ALA 56 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1kn6 n ALA 56 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1kn6 n ALA 56 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1kn6 n LEU 57 N 0.00 -0.82 0.13 0.00 -0.00 -1.26 -4.96 117.00 110.09 1kn6 n LEU 57 Ca 0.00 0.47 0.06 0.00 -0.00 0.00 0.00 56.01 56.54 1kn6 n LEU 57 Cb 0.00 1.07 0.03 0.00 -0.00 0.00 0.00 43.42 44.53 1kn6 n LEU 57 CO 0.00 0.04 0.31 -0.74 -0.00 0.00 0.00 177.39 177.00 1kn6 h HIS 58 N 0.00 0.00 -0.32 1.47 2.76 -1.96 -3.25 115.15 113.86 1kn6 h HIS 58 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1kn6 h HIS 58 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1kn6 h HIS 58 CO 0.00 0.29 0.00 -0.89 -1.30 0.00 0.00 177.93 176.03 1kn6 n ILE 59 N -3.01 0.41 -1.47 6.26 2.08 -1.26 -3.97 119.36 118.39 1kn6 n ILE 59 Ca -0.00 -0.52 -0.18 0.00 0.56 0.00 0.00 62.75 62.60 1kn6 n ILE 59 Cb 0.67 0.46 0.14 0.00 -0.75 0.00 0.00 39.64 40.16 1kn6 n ILE 59 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1kn6 n THR 60 N 0.74 2.93 0.10 1.39 -1.04 -1.23 -4.19 114.28 112.97 1kn6 n THR 60 Ca 0.16 -2.85 0.00 0.00 -2.04 0.00 0.00 64.05 59.33 1kn6 n THR 60 Cb 0.40 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 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 -1.02 0.00 0.16 -2.82 -0.00 -1.25 -4.84 118.16 108.39 1kn6 n LYS 61 Ca 0.47 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.84 1kn6 n LYS 61 Cb 1.09 -0.04 0.07 0.00 -0.00 0.00 0.00 35.03 36.15 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 0.16 -1.58 2.47 -1.83 -3.05 114.38 110.54 1kn6 h ARG 62 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 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 0.30 -0.07 1.25 0.56 0.00 0.00 179.97 182.00 1kn6 h LEU 63 N 0.00 -0.18 -0.56 3.04 5.85 -1.88 -2.38 115.31 119.20 1kn6 h LEU 63 Ca -0.01 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.56 1kn6 h LEU 63 Cb 1.24 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 1kn6 h LEU 63 CO 0.04 0.38 0.27 0.77 -0.34 0.00 0.00 178.44 179.55 1kn6 h SER 64 N -1.00 0.37 -0.60 1.25 4.64 -1.78 2.09 113.55 118.51 1kn6 h SER 64 Ca -0.02 0.04 0.06 0.00 -0.47 0.00 0.00 61.79 61.40 1kn6 h SER 64 Cb 0.37 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.39 1kn6 h SER 64 CO 0.04 0.24 0.30 -0.78 -0.87 0.00 0.00 176.83 175.76 1kn6 h ASP 65 N 0.51 0.42 1.87 4.97 1.82 -1.65 -0.89 116.42 123.47 1kn6 h ASP 65 Ca 0.26 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.93 1kn6 h ASP 65 Cb 0.20 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1kn6 h ASP 65 CO -0.19 0.28 -0.13 0.44 -1.61 0.00 0.00 179.24 178.02 1kn6 h ASP 66 N 0.56 0.00 0.23 2.28 3.32 -0.76 -3.24 116.42 118.81 1kn6 h ASP 66 Ca 0.27 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1kn6 h ASP 66 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1kn6 h ASP 66 CO -0.20 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 176.65 1kn6 n ASP 67 N -3.04 0.09 -0.41 6.45 2.03 0.70 -3.16 116.55 119.21 1kn6 n ASP 67 Ca 0.04 0.53 0.39 0.00 0.52 0.00 0.00 54.79 56.27 1kn6 n ASP 67 Cb 0.53 -0.55 0.71 0.00 -0.72 0.00 0.00 41.12 41.10 1kn6 n ASP 67 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1kn6 h ARG 68 N 0.00 0.00 -0.96 -0.67 -0.00 -1.57 -1.32 114.38 109.86 1kn6 h ARG 68 Ca 0.00 0.00 0.11 0.00 -0.50 0.00 0.00 59.98 59.59 1kn6 h ARG 68 Cb 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 29.97 29.95 1kn6 h ARG 68 CO 0.00 0.00 -0.50 1.33 0.00 0.00 0.00 179.97 180.80 1kn6 n VAL 69 N -3.84 -0.60 0.00 2.04 0.24 -1.19 -4.79 118.33 110.19 1kn6 n VAL 69 Ca 0.31 2.30 0.00 0.00 -2.04 0.00 0.00 64.34 64.90 1kn6 n VAL 69 Cb 1.54 -2.91 0.00 0.00 -1.47 0.00 0.00 33.84 31.01 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 -5.28 0.00 -3.75 3.34 -1.04 -0.50 -4.88 114.28 102.18 1kn6 n THR 70 Ca 0.05 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.92 1kn6 n THR 70 Cb 0.30 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.72 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 -0.28 -0.25 -0.16 -1.42 1.48 -1.22 -5.09 118.94 112.01 1kn6 s TRP 71 Ca 0.00 0.45 -0.04 0.00 -1.06 0.00 0.00 56.10 55.45 1kn6 s TRP 71 Cb 0.00 0.12 0.07 0.00 -1.16 0.00 0.00 33.47 32.50 1kn6 s TRP 71 CO 0.00 -0.36 0.18 0.00 -4.06 0.00 0.00 176.95 172.71 1kn6 s ALA 72 N -1.02 -0.12 0.07 2.67 0.00 -1.26 -3.25 121.76 118.85 1kn6 s ALA 72 Ca -0.11 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.14 1kn6 s ALA 72 Cb -0.04 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 1kn6 s ALA 72 CO 0.04 -1.00 -0.08 -2.00 0.00 0.00 0.00 175.76 172.71 1kn6 s GLU 73 N 2.29 0.71 0.18 0.00 2.12 -1.19 -4.99 118.70 117.81 1kn6 s GLU 73 Ca 0.05 -1.05 0.10 0.00 0.36 0.00 0.00 54.97 54.43 1kn6 s GLU 73 Cb -0.15 -0.33 -0.04 0.00 0.26 0.00 0.00 34.13 33.88 1kn6 s GLU 73 CO -0.10 0.04 -0.16 -1.14 -0.54 0.00 0.00 175.26 173.36 1kn6 s GLN 74 N -2.61 1.81 0.05 4.30 0.74 -1.26 -1.66 119.66 121.02 1kn6 s GLN 74 Ca 0.01 -1.36 -0.06 0.00 0.05 0.00 0.00 55.36 54.00 1kn6 s GLN 74 Cb -0.03 -2.03 -0.05 0.00 1.10 0.00 0.00 33.01 32.00 1kn6 s GLN 74 CO -0.01 0.42 0.30 -0.65 -0.55 0.00 0.00 175.29 174.80 1kn6 s GLN 75 N -2.69 3.60 0.00 1.67 -1.52 0.06 -4.91 119.66 115.87 1kn6 s GLN 75 Ca 0.22 -0.08 0.00 0.00 -1.95 0.00 0.00 55.36 53.55 1kn6 s GLN 75 Cb -0.09 -3.01 0.00 0.00 -0.22 0.00 0.00 33.01 29.69 1kn6 s GLN 75 CO 0.12 0.59 0.00 0.66 -0.25 0.00 0.00 175.29 176.42