#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kn6 n VAL 5 N 0.00 0.00 0.00 -4.37 3.14 -1.25 -1.16 118.33 114.69 1kn6 n VAL 5 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1kn6 n VAL 5 Cb 0.00 -0.10 0.00 0.00 -1.06 0.00 0.00 33.84 32.68 1kn6 n VAL 5 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1kn6 n ASN 6 N -0.39 0.00 -3.33 6.55 6.94 -1.26 -4.61 115.26 119.15 1kn6 n ASN 6 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.43 1kn6 n ASN 6 Cb 0.00 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.35 1kn6 n ASN 6 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1kn6 s GLU 7 N -0.40 0.54 -0.43 -3.83 2.02 0.41 -4.68 118.70 112.33 1kn6 s GLU 7 Ca 0.00 -0.39 -0.23 0.00 0.02 0.00 0.00 54.97 54.37 1kn6 s GLU 7 Cb 0.00 -0.50 0.02 0.00 0.10 0.00 0.00 34.13 33.75 1kn6 s GLU 7 CO 0.00 -1.12 0.79 -0.46 0.02 0.00 0.00 175.26 174.49 1kn6 s TRP 8 N 1.96 3.02 -0.17 1.61 -0.00 -1.04 -0.35 118.94 123.98 1kn6 s TRP 8 Ca 0.13 0.28 -0.05 0.00 -0.00 0.00 0.00 56.10 56.46 1kn6 s TRP 8 Cb -0.13 -3.60 -0.03 0.00 -0.00 0.00 0.00 33.47 29.71 1kn6 s TRP 8 CO -0.17 -0.92 -0.00 0.00 -0.00 0.00 0.00 176.95 175.86 1kn6 s ALA 9 N 3.25 3.14 -0.08 5.86 0.00 -0.67 -2.11 121.76 131.15 1kn6 s ALA 9 Ca 0.30 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 51.32 1kn6 s ALA 9 Cb -0.12 -1.69 0.03 0.00 0.00 0.00 0.00 23.12 21.34 1kn6 s ALA 9 CO 0.21 0.18 0.35 0.00 0.00 0.00 0.00 175.76 176.50 1kn6 s ALA 10 N 0.41 -0.87 -0.26 0.00 0.00 -1.15 -3.20 121.76 116.69 1kn6 s ALA 10 Ca -0.01 0.72 -0.10 0.00 0.00 0.00 0.00 51.96 52.56 1kn6 s ALA 10 Cb -0.14 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 1kn6 s ALA 10 CO 0.02 -0.21 0.17 -1.21 0.00 0.00 0.00 175.76 174.52 1kn6 s GLU 11 N -0.50 3.98 -0.12 0.00 2.02 -1.19 -0.09 118.70 122.79 1kn6 s GLU 11 Ca -0.06 -0.31 -0.02 0.00 0.02 0.00 0.00 54.97 54.60 1kn6 s GLU 11 Cb -0.04 -3.58 0.04 0.00 0.10 0.00 0.00 34.13 30.65 1kn6 s GLU 11 CO 0.02 -0.08 0.02 -1.50 0.02 0.00 0.00 175.26 173.75 1kn6 s ILE 12 N 1.44 0.39 0.05 -1.63 -1.16 0.29 -3.54 121.20 117.04 1kn6 s ILE 12 Ca 0.07 -0.12 -0.26 0.00 -0.51 0.00 0.00 60.65 59.83 1kn6 s ILE 12 Cb -0.15 -0.70 -0.17 0.00 0.61 0.00 0.00 42.46 42.05 1kn6 s ILE 12 CO 0.08 0.07 1.55 -0.65 -2.81 0.00 0.00 174.94 173.17 1kn6 h PRO 13 N 8.31 -0.24 0.00 3.50 0.11 -1.87 -3.36 132.00 138.45 1kn6 h PRO 13 Ca -0.18 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1kn6 h PRO 13 Cb 1.12 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1kn6 h PRO 13 CO 0.29 -0.04 -0.22 0.41 -0.21 0.00 0.00 178.00 178.22 1kn6 n GLY 14 N -0.80 0.78 0.81 -0.55 0.00 -1.26 -4.71 105.19 99.46 1kn6 n GLY 14 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 1.33 0.94 0.44 -0.02 0.00 -1.26 -4.22 105.19 102.40 1kn6 n GLY 15 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.78 -0.78 -0.62 1.61 4.20 -1.84 1.59 115.11 120.04 1kn6 h GLN 16 Ca 0.00 0.05 0.18 0.00 0.06 0.00 0.00 58.65 58.94 1kn6 h GLN 16 Cb 0.42 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1kn6 h GLN 16 CO 0.00 -0.52 0.46 0.93 -0.67 0.00 0.00 178.83 179.02 1kn6 h GLU 17 N -0.81 0.00 0.24 1.46 4.39 -2.00 0.15 114.58 118.00 1kn6 h GLU 17 Ca -0.04 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.34 1kn6 h GLU 17 Cb 0.74 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.42 1kn6 h GLU 17 CO -0.13 0.00 -1.42 0.00 -1.16 0.00 0.00 179.01 176.30 1kn6 h ALA 18 N 1.67 -0.13 0.08 3.43 0.00 -1.51 -2.67 119.26 120.14 1kn6 h ALA 18 Ca 0.30 -0.87 0.02 0.00 0.00 0.00 0.00 54.91 54.36 1kn6 h ALA 18 Cb 1.21 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1kn6 h ALA 18 CO -0.00 0.68 -0.29 0.00 0.00 0.00 0.00 179.25 179.64 1kn6 h ALA 19 N 0.13 -0.46 0.00 0.00 0.00 0.42 0.58 119.26 119.94 1kn6 h ALA 19 Ca -0.25 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1kn6 h ALA 19 Cb 2.10 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 20.37 1kn6 h ALA 19 CO 0.25 -0.82 -0.14 0.77 0.00 0.00 0.00 179.25 179.31 1kn6 h SER 20 N -0.48 0.00 0.32 0.00 0.02 -1.47 -2.51 113.55 109.43 1kn6 h SER 20 Ca 0.04 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.79 1kn6 h SER 20 Cb 0.53 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1kn6 h SER 20 CO -0.19 0.14 -0.84 0.00 -1.14 0.00 0.00 176.83 174.79 1kn6 h ALA 21 N 1.86 0.47 0.43 3.77 0.00 -0.58 -3.16 119.26 122.05 1kn6 h ALA 21 Ca -0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 1kn6 h ALA 21 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1kn6 h ALA 21 CO 0.02 0.80 -0.21 0.82 0.00 0.00 0.00 179.25 180.68 1kn6 h ILE 22 N 0.24 0.58 -1.01 0.00 2.04 0.52 0.87 117.51 120.76 1kn6 h ILE 22 Ca -0.05 -0.08 0.23 0.00 1.00 0.00 0.00 64.86 65.95 1kn6 h ILE 22 Cb 1.45 0.62 -0.11 0.00 -0.74 0.00 0.00 36.82 38.05 1kn6 h ILE 22 CO 0.14 0.02 0.62 0.00 0.00 0.00 0.00 178.15 178.93 1kn6 h ALA 23 N -0.06 1.86 0.05 1.87 0.00 -1.63 0.34 119.26 121.69 1kn6 h ALA 23 Ca -0.06 0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 1kn6 h ALA 23 Cb 0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1kn6 h ALA 23 CO 0.10 -0.28 -1.16 0.93 0.00 0.00 0.00 179.25 178.84 1kn6 h GLU 24 N 0.60 0.11 -0.10 0.00 5.08 -1.42 0.85 114.58 119.70 1kn6 h GLU 24 Ca 0.60 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.69 1kn6 h GLU 24 Cb 1.16 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1kn6 h GLU 24 CO -0.39 1.05 -0.25 1.49 -1.00 0.00 0.00 179.01 179.92 1kn6 h GLU 25 N 0.03 0.35 0.00 2.33 4.57 0.36 -3.38 114.58 118.84 1kn6 h GLU 25 Ca -0.08 -0.24 -0.19 0.00 -1.18 0.00 0.00 59.36 57.67 1kn6 h GLU 25 Cb 1.87 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 30.47 1kn6 h GLU 25 CO 0.15 0.85 -1.16 1.47 -1.18 0.00 0.00 179.01 179.14 1kn6 n LEU 26 N -4.47 1.85 0.00 1.64 -0.00 0.89 -5.04 117.00 111.86 1kn6 n LEU 26 Ca -0.07 0.46 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 1kn6 n LEU 26 Cb 0.44 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 42.93 1kn6 n LEU 26 CO 0.41 0.12 0.00 0.61 -0.00 0.00 0.00 177.39 178.53 1kn6 n GLY 27 N 1.46 0.01 3.27 1.47 0.00 -0.44 -5.00 105.19 105.97 1kn6 n GLY 27 Ca -0.28 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 0.63 -0.37 1.61 1.51 0.28 -4.81 117.35 116.20 1kn6 s TYR 28 Ca 0.00 -0.98 -0.12 0.00 -1.01 0.00 0.00 57.07 54.95 1kn6 s TYR 28 Cb 0.00 -0.24 0.01 0.00 -0.11 0.00 0.00 41.96 41.62 1kn6 s TYR 28 CO 0.00 -0.65 0.23 -0.51 -1.11 0.00 0.00 175.55 173.51 1kn6 s ASP 29 N -3.02 5.86 -0.21 2.29 1.01 -1.18 -4.20 116.67 117.22 1kn6 s ASP 29 Ca 0.22 -0.81 -0.21 0.00 0.71 0.00 0.00 52.55 52.46 1kn6 s ASP 29 Cb 0.05 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.88 1kn6 s ASP 29 CO 0.02 -0.35 0.63 -0.22 0.21 0.00 0.00 175.17 175.46 1kn6 s LEU 30 N 1.62 4.12 -0.30 1.23 0.20 -1.26 -1.81 118.68 122.49 1kn6 s LEU 30 Ca 0.04 0.80 0.00 0.00 0.69 0.00 0.00 54.13 55.66 1kn6 s LEU 30 Cb -0.19 -2.88 0.14 0.00 -0.43 0.00 0.00 46.19 42.83 1kn6 s LEU 30 CO 0.08 -0.30 0.30 -0.76 -0.29 0.00 0.00 176.35 175.38 1kn6 s LEU 31 N 2.08 -0.17 0.00 -0.68 2.01 0.54 -4.88 118.68 117.58 1kn6 s LEU 31 Ca 0.28 -0.94 0.00 0.00 0.01 0.00 0.00 54.13 53.48 1kn6 s LEU 31 Cb -0.16 0.48 0.00 0.00 0.01 0.00 0.00 46.19 46.52 1kn6 s LEU 31 CO 0.10 -0.37 0.00 0.61 1.01 0.00 0.00 176.35 177.70 1kn6 n GLY 32 N 5.11 1.00 3.54 -3.19 0.00 -1.26 -3.40 105.19 106.99 1kn6 n GLY 32 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1kn6 n GLY 32 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1kn6 s GLN 33 N 0.00 3.39 0.22 1.61 -2.07 0.31 -3.76 119.66 119.35 1kn6 s GLN 33 Ca 0.00 -0.14 0.22 0.00 -1.82 0.00 0.00 55.36 53.62 1kn6 s GLN 33 Cb 0.00 -3.94 0.03 0.00 -1.09 0.00 0.00 33.01 28.01 1kn6 s GLN 33 CO 0.00 -1.09 1.09 0.82 -1.32 0.00 0.00 175.29 174.79 1kn6 h ILE 34 N 5.96 0.02 0.00 3.63 5.03 -1.97 -3.48 117.51 126.69 1kn6 h ILE 34 Ca -0.25 -1.03 0.00 0.00 -0.12 0.00 0.00 64.86 63.46 1kn6 h ILE 34 Cb 1.09 1.56 0.00 0.00 -3.03 0.00 0.00 36.82 36.44 1kn6 h ILE 34 CO 0.95 0.01 0.00 0.61 -0.68 0.00 0.00 178.15 179.04 1kn6 n GLY 35 N 1.18 2.91 0.23 5.37 0.00 -1.26 -4.81 105.19 108.81 1kn6 n GLY 35 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 1kn6 n GLY 35 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1kn6 h SER 36 N 0.00 0.32 0.00 1.61 0.87 -1.99 -3.16 113.55 111.20 1kn6 h SER 36 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1kn6 h SER 36 Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1kn6 h SER 36 CO 0.00 0.56 -1.43 0.00 -0.53 0.00 0.00 176.83 175.43 1kn6 n LEU 37 N -4.16 0.05 -3.04 2.23 -0.00 -1.26 -5.05 117.00 105.76 1kn6 n LEU 37 Ca -0.01 -0.04 -0.20 0.00 -0.00 0.00 0.00 56.01 55.76 1kn6 n LEU 37 Cb 0.36 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.79 1kn6 n LEU 37 CO 0.40 0.01 -0.17 -0.62 -0.00 0.00 0.00 177.39 177.01 1kn6 n GLU 38 N -1.84 -1.09 0.00 1.47 -0.58 -1.20 -4.58 120.64 112.82 1kn6 n GLU 38 Ca -0.02 0.65 0.00 0.00 -0.42 0.00 0.00 57.16 57.37 1kn6 n GLU 38 Cb 0.29 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 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 -0.80 0.00 -4.76 1.62 0.23 -1.26 -4.80 115.26 105.50 1kn6 n ASN 39 Ca -0.15 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.49 1kn6 n ASN 39 Cb 0.44 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.11 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 3.31 -0.17 -2.53 2.46 -1.26 0.10 115.29 117.21 1kn6 s HIS 40 Ca 0.00 1.49 -0.07 0.00 0.47 0.00 0.00 55.06 56.94 1kn6 s HIS 40 Cb 0.00 -3.50 0.07 0.00 -0.13 0.00 0.00 32.58 29.02 1kn6 s HIS 40 CO 0.00 -1.32 0.38 0.71 -2.47 0.00 0.00 174.74 172.04 1kn6 s TYR 41 N -0.84 -0.64 0.03 3.88 2.02 0.87 -0.53 117.35 122.14 1kn6 s TYR 41 Ca 0.49 1.31 0.07 0.00 -0.37 0.00 0.00 57.07 58.57 1kn6 s TYR 41 Cb -0.36 0.23 -0.02 0.00 -0.40 0.00 0.00 41.96 41.41 1kn6 s TYR 41 CO 0.45 -0.39 -0.22 -1.17 -1.57 0.00 0.00 175.55 172.64 1kn6 s LEU 42 N 2.02 2.13 0.10 -1.29 0.20 -1.22 -2.93 118.68 117.69 1kn6 s LEU 42 Ca -0.05 -0.50 0.05 0.00 0.69 0.00 0.00 54.13 54.33 1kn6 s LEU 42 Cb -0.10 -1.06 -0.04 0.00 -0.43 0.00 0.00 46.19 44.56 1kn6 s LEU 42 CO -0.12 0.20 -0.01 -0.36 -0.29 0.00 0.00 176.35 175.78 1kn6 s PHE 43 N -0.72 2.96 -0.23 5.38 0.08 -0.90 0.20 117.98 124.75 1kn6 s PHE 43 Ca 0.08 -0.05 -0.03 0.00 0.12 0.00 0.00 56.93 57.05 1kn6 s PHE 43 Cb -0.09 -1.51 0.12 0.00 -0.57 0.00 0.00 43.02 40.97 1kn6 s PHE 43 CO 0.01 0.48 0.36 0.15 -0.10 0.00 0.00 175.22 176.12 1kn6 s LYS 44 N -2.37 0.32 -0.28 0.44 3.01 -0.75 -2.49 119.74 117.62 1kn6 s LYS 44 Ca 0.26 0.51 -0.16 0.00 -1.01 0.00 0.00 55.97 55.56 1kn6 s LYS 44 Cb -0.11 -0.54 0.10 0.00 -1.01 0.00 0.00 37.83 36.27 1kn6 s LYS 44 CO 0.18 -0.62 0.80 -1.58 0.51 0.00 0.00 175.35 174.64 1kn6 s HIS 45 N 2.52 -0.87 0.00 3.18 2.46 -1.26 -3.12 115.29 118.19 1kn6 s HIS 45 Ca 0.11 1.75 0.00 0.00 0.47 0.00 0.00 55.06 57.39 1kn6 s HIS 45 Cb -0.15 0.52 0.00 0.00 -0.13 0.00 0.00 32.58 32.81 1kn6 s HIS 45 CO -0.15 -0.43 0.00 0.36 -2.47 0.00 0.00 174.74 172.05 1kn6 n LYS 46 N 4.01 0.00 -1.64 2.88 -0.00 -1.26 -4.60 118.16 117.55 1kn6 n LYS 46 Ca -0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.03 1kn6 n LYS 46 Cb 0.58 -0.08 -0.02 0.00 -0.00 0.00 0.00 35.03 35.51 1kn6 n LYS 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1kn6 n SER 47 N -0.78 -3.67 -2.68 -5.58 2.88 -1.26 -4.87 113.62 97.66 1kn6 n SER 47 Ca 0.00 0.13 -0.05 0.00 -1.33 0.00 0.00 58.87 57.61 1kn6 n SER 47 Cb 0.00 -2.38 0.06 0.00 -0.75 0.00 0.00 64.21 61.14 1kn6 n SER 47 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kn6 n HIS 48 N -3.27 -1.44 -1.35 0.66 -0.00 -1.26 -5.06 115.22 103.50 1kn6 n HIS 48 Ca -0.10 -1.32 -0.42 0.00 -0.00 0.00 0.00 57.72 55.89 1kn6 n HIS 48 Cb 0.41 1.39 -0.05 0.00 -0.00 0.00 0.00 29.99 31.74 1kn6 n HIS 48 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1kn6 n PRO 49 N -0.33 1.74 -0.86 -1.40 -0.04 -1.26 -4.58 135.00 128.27 1kn6 n PRO 49 Ca -0.12 -2.04 0.04 0.00 -0.04 0.00 0.00 63.50 61.33 1kn6 n PRO 49 Cb 0.74 -3.06 0.35 0.00 -0.04 0.00 0.00 33.50 31.50 1kn6 n PRO 49 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1kn6 n ARG 50 N 7.03 4.22 -4.07 0.54 5.12 -1.26 -4.93 116.66 123.31 1kn6 n ARG 50 Ca 0.50 -3.10 -0.34 0.00 -1.93 0.00 0.00 57.85 52.97 1kn6 n ARG 50 Cb 0.41 -2.18 -0.02 0.00 -1.16 0.00 0.00 32.46 29.51 1kn6 n ARG 50 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1kn6 n ARG 51 N 0.19 -3.27 0.00 5.56 0.63 -1.25 -4.63 116.66 113.88 1kn6 n ARG 51 Ca 0.31 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 1kn6 n ARG 51 Cb 1.20 -5.12 0.00 0.00 0.45 0.00 0.00 32.46 28.99 1kn6 n ARG 51 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1kn6 n SER 52 N -2.59 0.00 -3.64 6.15 3.41 -0.31 -3.09 113.62 113.55 1kn6 n SER 52 Ca 0.07 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.38 1kn6 n SER 52 Cb 0.50 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.31 1kn6 n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1kn6 s ARG 53 N 0.00 0.77 0.31 4.33 3.00 -0.83 -5.04 118.95 121.49 1kn6 s ARG 53 Ca 0.00 -1.32 -0.29 0.00 0.00 0.00 0.00 55.73 54.12 1kn6 s ARG 53 Cb 0.00 -1.83 -0.13 0.00 0.00 0.00 0.00 34.95 33.00 1kn6 s ARG 53 CO 0.00 -1.09 1.35 0.54 0.00 0.00 0.00 175.30 176.11 1kn6 n ARG 54 N 4.36 2.16 0.00 3.54 5.12 -1.26 -4.68 116.66 125.91 1kn6 n ARG 54 Ca 0.03 0.76 0.00 0.00 -1.93 0.00 0.00 57.85 56.72 1kn6 n ARG 54 Cb 0.39 -2.39 0.00 0.00 -1.16 0.00 0.00 32.46 29.30 1kn6 n ARG 54 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1kn6 n SER 55 N 1.29 3.00 -3.10 0.55 2.88 -1.26 -5.07 113.62 111.92 1kn6 n SER 55 Ca 0.07 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.52 1kn6 n SER 55 Cb 0.35 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.85 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 -2.42 -0.10 -1.46 0.00 -1.26 -4.99 120.51 107.29 1kn6 n ALA 56 Ca 0.00 0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.33 1kn6 n ALA 56 Cb 0.00 -3.94 -0.07 0.00 0.00 0.00 0.00 19.45 15.44 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 -2.59 1.53 0.22 0.00 -0.00 -1.26 -4.47 117.00 110.43 1kn6 n LEU 57 Ca -0.04 0.26 0.15 0.00 -0.00 0.00 0.00 56.01 56.39 1kn6 n LEU 57 Cb 0.57 -0.62 0.78 0.00 -0.00 0.00 0.00 43.42 44.15 1kn6 n LEU 57 CO 0.54 0.28 0.96 -0.74 -0.00 0.00 0.00 177.39 178.43 1kn6 h HIS 58 N -0.76 0.00 -0.31 1.47 2.76 -1.96 0.19 115.15 116.54 1kn6 h HIS 58 Ca -0.43 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 1kn6 h HIS 58 Cb 1.33 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.29 1kn6 h HIS 58 CO -0.12 0.00 0.00 1.51 -1.30 0.00 0.00 177.93 178.02 1kn6 n ILE 59 N -2.59 0.44 -1.37 6.26 0.00 -1.26 -3.87 119.36 116.97 1kn6 n ILE 59 Ca -0.01 -0.42 -0.16 0.00 0.00 0.00 0.00 62.75 62.16 1kn6 n ILE 59 Cb 0.10 0.20 0.18 0.00 0.00 0.00 0.00 39.64 40.11 1kn6 n ILE 59 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1kn6 n THR 60 N 0.42 2.91 0.00 9.51 -2.24 0.05 -4.12 114.28 120.82 1kn6 n THR 60 Ca 0.11 -2.44 0.00 0.00 -2.27 0.00 0.00 64.05 59.44 1kn6 n THR 60 Cb 0.27 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1kn6 n THR 60 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1kn6 n LYS 61 N -1.12 0.00 0.00 -0.78 2.85 -1.25 -4.81 118.16 113.06 1kn6 n LYS 61 Ca 0.47 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.82 1kn6 n LYS 61 Cb 1.30 0.00 0.39 0.00 -0.65 0.00 0.00 35.03 36.07 1kn6 n LYS 61 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1kn6 n ARG 62 N -1.26 0.05 0.10 -1.58 3.00 -1.26 -1.70 116.66 114.01 1kn6 n ARG 62 Ca 0.00 0.18 -0.05 0.00 -0.00 0.00 0.00 57.85 57.99 1kn6 n ARG 62 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 32.46 30.94 1kn6 n ARG 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1kn6 h LEU 63 N 0.00 -0.27 -0.78 6.15 7.12 -1.89 -0.74 115.31 124.91 1kn6 h LEU 63 Ca 0.00 0.01 -0.10 0.00 0.13 0.00 0.00 57.88 57.92 1kn6 h LEU 63 Cb 0.27 0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.45 1kn6 h LEU 63 CO 0.00 0.00 -0.10 0.77 -0.13 0.00 0.00 178.44 178.98 1kn6 h SER 64 N -0.70 0.81 -0.58 1.25 4.64 -1.80 0.96 113.55 118.13 1kn6 h SER 64 Ca -0.03 -0.24 0.05 0.00 -0.47 0.00 0.00 61.79 61.10 1kn6 h SER 64 Cb 0.24 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.06 1kn6 h SER 64 CO 0.05 0.93 0.30 -0.78 -0.87 0.00 0.00 176.83 176.46 1kn6 h ASP 65 N 0.74 0.42 1.63 4.97 3.58 -1.44 -1.00 116.42 125.32 1kn6 h ASP 65 Ca 0.12 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.56 1kn6 h ASP 65 Cb 0.60 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 1kn6 h ASP 65 CO 0.04 0.28 -0.38 0.44 -2.88 0.00 0.00 179.24 176.74 1kn6 h ASP 66 N 0.56 0.00 0.00 2.28 5.19 -0.74 -3.27 116.42 120.43 1kn6 h ASP 66 Ca 0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1kn6 h ASP 66 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1kn6 h ASP 66 CO -0.18 0.21 0.14 -0.78 -3.12 0.00 0.00 179.24 175.51 1kn6 h ASP 67 N 0.00 0.00 -0.92 6.45 3.58 0.24 -2.72 116.42 123.05 1kn6 h ASP 67 Ca -0.01 0.00 0.27 0.00 0.42 0.00 0.00 57.03 57.70 1kn6 h ASP 67 Cb 1.17 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.18 1kn6 h ASP 67 CO 0.03 0.00 0.94 0.08 -2.88 0.00 0.00 179.24 177.40 1kn6 h ARG 68 N 0.00 0.00 -0.62 0.28 0.11 -1.60 -1.21 114.38 111.35 1kn6 h ARG 68 Ca 0.00 0.00 0.10 0.00 0.10 0.00 0.00 59.98 60.18 1kn6 h ARG 68 Cb 0.29 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 31.26 1kn6 h ARG 68 CO 0.00 0.00 -0.40 -0.39 0.10 0.00 0.00 179.97 179.28 1kn6 h VAL 69 N 0.00 0.11 0.00 0.08 -1.51 -1.81 -3.45 116.25 109.67 1kn6 h VAL 69 Ca 0.44 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.91 1kn6 h VAL 69 Cb 2.30 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 1kn6 h VAL 69 CO -0.00 0.00 0.00 0.41 -1.23 0.00 0.00 177.57 176.75 1kn6 n THR 70 N -5.42 0.00 -3.74 7.19 -1.04 -0.46 -4.79 114.28 106.03 1kn6 n THR 70 Ca 0.03 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.91 1kn6 n THR 70 Cb 0.35 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.77 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 -0.59 -0.32 -0.05 -1.42 1.48 -1.23 -5.08 118.94 111.73 1kn6 s TRP 71 Ca 0.00 0.67 -0.02 0.00 -1.06 0.00 0.00 56.10 55.69 1kn6 s TRP 71 Cb 0.00 0.14 0.04 0.00 -1.16 0.00 0.00 33.47 32.48 1kn6 s TRP 71 CO 0.00 -0.32 0.10 0.00 -4.06 0.00 0.00 176.95 172.67 1kn6 s ALA 72 N -0.62 -0.07 -0.04 2.67 0.00 -1.26 -3.19 121.76 119.26 1kn6 s ALA 72 Ca -0.07 0.47 -0.09 0.00 0.00 0.00 0.00 51.96 52.27 1kn6 s ALA 72 Cb -0.04 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.63 1kn6 s ALA 72 CO 0.03 -0.25 0.20 -2.00 0.00 0.00 0.00 175.76 173.74 1kn6 s GLU 73 N 1.45 0.41 0.49 0.00 2.56 -1.19 -5.03 118.70 117.38 1kn6 s GLU 73 Ca -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 54.97 54.85 1kn6 s GLU 73 Cb -0.12 0.18 -0.00 0.00 2.00 0.00 0.00 34.13 36.19 1kn6 s GLU 73 CO -0.05 -0.09 0.73 1.14 -0.56 0.00 0.00 175.26 176.44 1kn6 s GLN 74 N -0.69 3.06 -0.26 4.30 -2.07 -1.26 -1.67 119.66 121.07 1kn6 s GLN 74 Ca -0.08 -0.32 -0.01 0.00 -1.82 0.00 0.00 55.36 53.13 1kn6 s GLN 74 Cb -0.04 -2.48 0.14 0.00 -1.09 0.00 0.00 33.01 29.54 1kn6 s GLN 74 CO 0.01 -0.37 0.38 -1.14 -1.32 0.00 0.00 175.29 172.86 1kn6 s GLN 75 N -4.67 0.37 0.00 9.60 -0.44 0.53 -4.84 119.66 120.21 1kn6 s GLN 75 Ca 0.49 0.34 0.28 0.00 -2.50 0.00 0.00 55.36 53.98 1kn6 s GLN 75 Cb -0.10 -0.43 1.12 0.00 -1.64 0.00 0.00 33.01 31.96 1kn6 s GLN 75 CO 0.40 -0.81 1.79 0.66 0.50 0.00 0.00 175.29 177.83