#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 -0.90 0.00 -2.13 -7.23 -1.26 -4.36 120.40 104.52 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 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.94 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 0.00 -3.75 4.85 2.85 -1.26 -2.24 115.26 121.12 1kn6 n ASN 6 Ca -0.05 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.29 1kn6 n ASN 6 Cb 0.51 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.45 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 0.00 0.76 -0.20 1.20 -1.05 -1.21 -3.95 118.70 114.25 1kn6 s GLU 7 Ca 0.00 -0.34 -0.04 0.00 -0.15 0.00 0.00 54.97 54.43 1kn6 s GLU 7 Cb 0.00 0.33 -0.02 0.00 -0.44 0.00 0.00 34.13 34.00 1kn6 s GLU 7 CO 0.00 -0.23 -0.02 -0.46 0.95 0.00 0.00 175.26 175.50 1kn6 s TRP 8 N -1.97 2.99 -0.02 4.83 -0.00 -0.69 -1.21 118.94 122.86 1kn6 s TRP 8 Ca -0.09 -0.62 0.06 0.00 -0.00 0.00 0.00 56.10 55.45 1kn6 s TRP 8 Cb -0.03 -2.07 -0.02 0.00 -0.00 0.00 0.00 33.47 31.35 1kn6 s TRP 8 CO 0.00 -0.34 -0.21 0.00 -0.00 0.00 0.00 176.95 176.41 1kn6 s ALA 9 N 1.11 2.38 -0.00 5.86 0.00 -0.95 -1.59 121.76 128.57 1kn6 s ALA 9 Ca 0.02 -1.08 -0.17 0.00 0.00 0.00 0.00 51.96 50.72 1kn6 s ALA 9 Cb -0.15 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.29 1kn6 s ALA 9 CO 0.01 0.54 0.37 0.00 0.00 0.00 0.00 175.76 176.68 1kn6 s ALA 10 N -0.69 -0.92 -0.30 0.00 0.00 -0.53 -3.23 121.76 116.09 1kn6 s ALA 10 Ca 0.11 0.40 -0.20 0.00 0.00 0.00 0.00 51.96 52.28 1kn6 s ALA 10 Cb -0.10 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 1kn6 s ALA 10 CO 0.00 -0.32 0.60 -1.21 0.00 0.00 0.00 175.76 174.84 1kn6 s GLU 11 N -1.62 3.92 -0.20 0.00 2.02 -1.19 -0.19 118.70 121.44 1kn6 s GLU 11 Ca -0.11 0.28 -0.01 0.00 0.02 0.00 0.00 54.97 55.16 1kn6 s GLU 11 Cb -0.03 -3.72 0.06 0.00 0.10 0.00 0.00 34.13 30.53 1kn6 s GLU 11 CO 0.03 -0.53 -0.03 -1.50 0.02 0.00 0.00 175.26 173.25 1kn6 s ILE 12 N 2.54 1.10 0.05 -1.63 -1.16 0.29 -3.58 121.20 118.81 1kn6 s ILE 12 Ca 0.24 -0.86 -0.30 0.00 -0.51 0.00 0.00 60.65 59.23 1kn6 s ILE 12 Cb -0.15 -1.42 -0.18 0.00 0.61 0.00 0.00 42.46 41.32 1kn6 s ILE 12 CO 0.11 -0.07 1.48 -0.65 -2.81 0.00 0.00 174.94 173.00 1kn6 h PRO 13 N 8.09 -0.71 0.00 3.50 0.11 -1.85 -3.37 132.00 137.77 1kn6 h PRO 13 Ca -0.19 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1kn6 h PRO 13 Cb 1.10 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1kn6 h PRO 13 CO 0.38 -0.43 0.00 0.41 -0.21 0.00 0.00 178.00 178.16 1kn6 n GLY 14 N -1.09 0.32 1.09 -0.55 0.00 -1.26 -4.72 105.19 98.98 1kn6 n GLY 14 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.67 1.29 0.21 -0.02 0.00 -1.26 -4.28 105.19 101.81 1kn6 n GLY 15 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.95 -0.48 -0.42 1.61 4.20 -1.84 1.59 115.11 120.71 1kn6 h GLN 16 Ca 0.00 0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.87 1kn6 h GLN 16 Cb 0.61 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 1kn6 h GLN 16 CO 0.00 -0.32 0.41 0.93 -0.67 0.00 0.00 178.83 179.18 1kn6 h GLU 17 N -0.50 0.00 0.14 1.46 5.08 -2.01 0.38 114.58 119.13 1kn6 h GLU 17 Ca -0.04 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.03 1kn6 h GLU 17 Cb 0.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.65 1kn6 h GLU 17 CO 0.05 0.00 -1.31 0.00 -1.00 0.00 0.00 179.01 176.74 1kn6 h ALA 18 N 1.58 0.10 0.93 3.43 0.00 -1.71 -2.93 119.26 120.66 1kn6 h ALA 18 Ca 0.20 -0.92 -0.04 0.00 0.00 0.00 0.00 54.91 54.14 1kn6 h ALA 18 Cb 1.02 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1kn6 h ALA 18 CO -0.00 0.98 -0.49 0.00 0.00 0.00 0.00 179.25 179.74 1kn6 h ALA 19 N 0.53 -1.33 -0.08 0.00 0.00 0.65 -1.09 119.26 117.93 1kn6 h ALA 19 Ca -0.16 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1kn6 h ALA 19 Cb 2.00 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 20.34 1kn6 h ALA 19 CO 0.20 -1.26 0.12 0.66 0.00 0.00 0.00 179.25 178.98 1kn6 h SER 20 N -1.31 0.00 1.61 0.00 4.64 -1.46 0.23 113.55 117.26 1kn6 h SER 20 Ca -0.13 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1kn6 h SER 20 Cb 1.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1kn6 h SER 20 CO 0.18 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 176.08 1kn6 h ALA 21 N 1.84 0.97 0.15 5.18 0.00 -1.13 -3.15 119.26 123.12 1kn6 h ALA 21 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1kn6 h ALA 21 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1kn6 h ALA 21 CO -0.00 0.08 -0.07 0.82 0.00 0.00 0.00 179.25 180.07 1kn6 h ILE 22 N 0.00 0.00 -1.13 0.00 2.04 0.68 -2.64 117.51 116.46 1kn6 h ILE 22 Ca -0.00 -0.43 0.33 0.00 1.00 0.00 0.00 64.86 65.76 1kn6 h ILE 22 Cb 0.88 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.85 1kn6 h ILE 22 CO 0.01 0.00 0.72 0.00 0.00 0.00 0.00 178.15 178.87 1kn6 h ALA 23 N -1.48 2.36 -0.25 1.87 0.00 -1.67 0.90 119.26 120.99 1kn6 h ALA 23 Ca -0.02 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1kn6 h ALA 23 Cb 0.15 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1kn6 h ALA 23 CO 0.03 -0.86 -0.34 1.49 0.00 0.00 0.00 179.25 179.57 1kn6 h GLU 24 N 0.29 0.53 0.00 0.00 4.81 -1.62 -1.32 114.58 117.26 1kn6 h GLU 24 Ca 0.68 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1kn6 h GLU 24 Cb 1.86 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.23 1kn6 h GLU 24 CO -0.37 0.80 -0.03 0.93 -0.73 0.00 0.00 179.01 179.61 1kn6 h GLU 25 N 0.45 0.00 0.27 1.92 4.39 0.10 -3.41 114.58 118.30 1kn6 h GLU 25 Ca 0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1kn6 h GLU 25 Cb 0.81 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1kn6 h GLU 25 CO 0.07 0.00 -0.16 -0.07 -1.16 0.00 0.00 179.01 177.69 1kn6 h LEU 26 N -0.62 -0.40 0.00 1.33 3.38 -0.82 -3.48 115.31 114.70 1kn6 h LEU 26 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1kn6 h LEU 26 Cb 0.03 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1kn6 h LEU 26 CO 0.00 -0.25 0.00 0.61 0.09 0.00 0.00 178.44 178.89 1kn6 n GLY 27 N -1.20 0.06 3.39 0.83 0.00 -0.55 -4.90 105.19 102.82 1kn6 n GLY 27 Ca -0.05 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 0.87 -0.31 1.61 1.51 -0.88 -4.79 117.35 115.36 1kn6 s TYR 28 Ca 0.00 -1.13 -0.21 0.00 -1.01 0.00 0.00 57.07 54.72 1kn6 s TYR 28 Cb 0.00 -0.22 -0.00 0.00 -0.11 0.00 0.00 41.96 41.63 1kn6 s TYR 28 CO 0.00 -0.85 0.68 -0.51 -1.11 0.00 0.00 175.55 173.76 1kn6 s ASP 29 N -3.13 6.53 0.01 2.29 1.11 -1.18 -4.54 116.67 117.77 1kn6 s ASP 29 Ca 0.32 0.45 -0.23 0.00 0.18 0.00 0.00 52.55 53.27 1kn6 s ASP 29 Cb 0.03 -2.35 -0.05 0.00 1.07 0.00 0.00 42.92 41.61 1kn6 s ASP 29 CO 0.13 -0.54 0.69 -0.22 1.18 0.00 0.00 175.17 176.41 1kn6 s LEU 30 N 2.73 4.42 -0.30 1.23 1.98 -1.26 -2.18 118.68 125.30 1kn6 s LEU 30 Ca 0.27 1.29 -0.01 0.00 -2.89 0.00 0.00 54.13 52.80 1kn6 s LEU 30 Cb -0.15 -3.08 0.13 0.00 0.66 0.00 0.00 46.19 43.75 1kn6 s LEU 30 CO 0.12 0.03 0.27 -0.76 -1.89 0.00 0.00 176.35 174.13 1kn6 s LEU 31 N 0.02 -0.03 -1.19 -0.68 2.01 0.15 -4.94 118.68 114.01 1kn6 s LEU 31 Ca 0.35 -1.02 -0.05 0.00 0.01 0.00 0.00 54.13 53.43 1kn6 s LEU 31 Cb -0.19 0.33 0.22 0.00 0.01 0.00 0.00 46.19 46.56 1kn6 s LEU 31 CO 0.20 -0.38 1.97 0.61 1.01 0.00 0.00 176.35 179.76 1kn6 n GLY 32 N 5.11 5.38 2.97 -3.19 0.00 -1.26 -1.33 105.19 112.87 1kn6 n GLY 32 Ca -0.00 -2.32 -0.09 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.02 0.35 -0.15 1.61 1.03 -0.52 -4.56 119.66 115.40 1kn6 s GLN 33 Ca 0.43 0.62 0.17 0.00 0.04 0.00 0.00 55.36 56.61 1kn6 s GLN 33 Cb 0.14 -0.34 -0.24 0.00 0.03 0.00 0.00 33.01 32.60 1kn6 s GLN 33 CO -0.05 -0.59 0.25 0.44 -2.54 0.00 0.00 175.29 172.81 1kn6 n ILE 34 N 5.37 1.43 0.00 3.63 -6.64 -1.26 -5.01 119.36 116.88 1kn6 n ILE 34 Ca -0.04 -0.83 0.00 0.00 -1.77 0.00 0.00 62.75 60.10 1kn6 n ILE 34 Cb 0.50 -0.62 0.00 0.00 -1.44 0.00 0.00 39.64 38.08 1kn6 n ILE 34 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1kn6 n GLY 35 N 1.68 2.52 0.12 3.28 0.00 -1.26 -4.90 105.19 106.63 1kn6 n GLY 35 Ca -0.28 -0.77 -0.04 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.44 0.00 1.61 0.02 -2.04 -3.45 113.55 109.25 1kn6 h SER 36 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1kn6 h SER 36 Cb 0.00 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1kn6 h SER 36 CO 0.00 -0.12 0.00 0.00 -1.14 0.00 0.00 176.83 175.57 1kn6 n LEU 37 N -3.30 0.00 -3.31 5.07 -0.00 -1.26 -5.13 117.00 109.07 1kn6 n LEU 37 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.90 1kn6 n LEU 37 Cb 0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.46 1kn6 n LEU 37 CO 0.02 0.00 -0.07 -1.61 -0.00 0.00 0.00 177.39 175.73 1kn6 s GLU 38 N 3.59 0.43 0.00 1.47 2.02 -1.26 -4.47 118.70 120.48 1kn6 s GLU 38 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.06 1kn6 s GLU 38 Cb 0.00 -0.32 0.00 0.00 0.10 0.00 0.00 34.13 33.91 1kn6 s GLU 38 CO 0.00 -1.05 0.00 0.27 0.02 0.00 0.00 175.26 174.50 1kn6 n ASN 39 N 5.29 0.00 -4.65 -0.19 0.23 -1.26 -4.89 115.26 109.78 1kn6 n ASN 39 Ca 0.01 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.64 1kn6 n ASN 39 Cb 0.49 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.17 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 -0.41 2.16 0.10 -2.53 2.46 -1.26 -0.55 115.29 115.26 1kn6 s HIS 40 Ca 0.00 0.41 0.10 0.00 0.47 0.00 0.00 55.06 56.04 1kn6 s HIS 40 Cb 0.00 -3.85 -0.04 0.00 -0.13 0.00 0.00 32.58 28.56 1kn6 s HIS 40 CO 0.00 -3.28 -0.26 0.71 -2.47 0.00 0.00 174.74 169.45 1kn6 s TYR 41 N 4.18 2.23 0.14 3.88 1.51 0.74 -1.44 117.35 128.60 1kn6 s TYR 41 Ca 0.70 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 56.23 1kn6 s TYR 41 Cb -0.29 -1.26 0.01 0.00 -0.11 0.00 0.00 41.96 40.31 1kn6 s TYR 41 CO 0.27 0.24 0.35 -0.48 -1.11 0.00 0.00 175.55 174.82 1kn6 s LEU 42 N -1.73 0.68 0.12 -1.29 -0.00 -0.44 -1.45 118.68 114.57 1kn6 s LEU 42 Ca 0.12 -0.57 0.06 0.00 -0.00 0.00 0.00 54.13 53.74 1kn6 s LEU 42 Cb -0.10 1.57 -0.04 0.00 -0.00 0.00 0.00 46.19 47.63 1kn6 s LEU 42 CO 0.04 -0.88 -0.14 -0.36 -0.00 0.00 0.00 176.35 175.01 1kn6 s PHE 43 N -3.87 1.40 -0.22 3.48 0.08 -0.62 0.32 117.98 118.54 1kn6 s PHE 43 Ca 0.08 -0.56 -0.04 0.00 0.12 0.00 0.00 56.93 56.53 1kn6 s PHE 43 Cb 0.02 -0.73 0.11 0.00 -0.57 0.00 0.00 43.02 41.86 1kn6 s PHE 43 CO -0.07 0.14 0.35 0.15 -0.10 0.00 0.00 175.22 175.70 1kn6 s LYS 44 N -2.73 0.30 -0.30 0.44 3.01 -0.93 -1.71 119.74 117.82 1kn6 s LYS 44 Ca 0.09 0.60 0.05 0.00 -1.01 0.00 0.00 55.97 55.71 1kn6 s LYS 44 Cb -0.04 -0.38 0.20 0.00 -1.01 0.00 0.00 37.83 36.59 1kn6 s LYS 44 CO 0.03 -0.53 0.63 -1.58 0.51 0.00 0.00 175.35 174.41 1kn6 s HIS 45 N 2.51 -1.75 -1.02 3.18 2.46 -1.25 -3.12 115.29 116.30 1kn6 s HIS 45 Ca 0.08 0.96 -0.03 0.00 0.47 0.00 0.00 55.06 56.54 1kn6 s HIS 45 Cb -0.14 0.30 0.30 0.00 -0.13 0.00 0.00 32.58 32.91 1kn6 s HIS 45 CO -0.14 -1.03 1.39 1.63 -2.47 0.00 0.00 174.74 174.12 1kn6 n LYS 46 N 5.31 4.24 0.18 2.88 4.01 -1.26 -4.75 118.16 128.78 1kn6 n LYS 46 Ca 0.06 -4.57 0.08 0.00 -0.51 0.00 0.00 58.31 53.37 1kn6 n LYS 46 Cb 0.55 -2.48 0.11 0.00 -0.51 0.00 0.00 35.03 32.69 1kn6 n LYS 46 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1kn6 h SER 47 N 5.27 0.00 0.00 4.39 0.87 -1.97 -3.41 113.55 118.69 1kn6 h SER 47 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1kn6 h SER 47 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1kn6 h SER 47 CO 1.27 0.19 -0.30 0.00 -0.53 0.00 0.00 176.83 177.46 1kn6 n HIS 48 N -3.12 0.00 -0.75 2.24 -0.00 -1.26 -5.08 115.22 107.25 1kn6 n HIS 48 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 1kn6 n HIS 48 Cb 0.61 -0.15 0.00 0.00 -0.00 0.00 0.00 29.99 30.45 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 -3.24 0.19 -2.94 -1.40 -0.04 -1.26 -5.09 135.00 121.22 1kn6 n PRO 49 Ca -0.04 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.36 1kn6 n PRO 49 Cb 0.16 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.61 1kn6 n PRO 49 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1kn6 s ARG 50 N -2.31 0.99 -0.63 0.54 1.70 -1.26 -4.87 118.95 113.12 1kn6 s ARG 50 Ca 0.00 -1.02 -0.09 0.00 -0.47 0.00 0.00 55.73 54.15 1kn6 s ARG 50 Cb 0.00 -0.20 0.01 0.00 -0.57 0.00 0.00 34.95 34.20 1kn6 s ARG 50 CO 0.00 -1.30 0.17 2.89 -1.08 0.00 0.00 175.30 175.97 1kn6 n ARG 51 N 3.26 -0.80 0.00 3.89 1.85 -0.95 -4.09 116.66 119.81 1kn6 n ARG 51 Ca 0.18 -0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 1kn6 n ARG 51 Cb 0.55 -1.07 0.00 0.00 -1.05 0.00 0.00 32.46 30.89 1kn6 n ARG 51 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1kn6 n SER 52 N -0.78 0.00 -4.69 2.89 2.88 -1.26 -3.97 113.62 108.69 1kn6 n SER 52 Ca -0.10 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.02 1kn6 n SER 52 Cb 0.28 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.72 1kn6 n SER 52 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1kn6 s ARG 53 N 0.00 4.24 0.26 -1.46 3.52 -1.26 -2.71 118.95 121.54 1kn6 s ARG 53 Ca 0.00 2.12 -0.31 0.00 -0.13 0.00 0.00 55.73 57.41 1kn6 s ARG 53 Cb 0.00 -3.62 -0.12 0.00 -1.56 0.00 0.00 34.95 29.65 1kn6 s ARG 53 CO 0.00 -0.66 1.63 0.54 -0.81 0.00 0.00 175.30 176.00 1kn6 n ARG 54 N 5.62 2.68 0.00 5.12 1.74 -1.26 -4.51 116.66 126.05 1kn6 n ARG 54 Ca 0.15 0.96 0.00 0.00 -0.77 0.00 0.00 57.85 58.18 1kn6 n ARG 54 Cb 0.42 -2.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.11 1kn6 n ARG 54 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1kn6 n SER 55 N 2.76 3.16 -2.02 0.55 7.64 -1.26 -4.97 113.62 119.49 1kn6 n SER 55 Ca 0.11 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.97 1kn6 n SER 55 Cb 0.36 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.54 1kn6 n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kn6 n ALA 56 N -3.00 -3.34 0.02 -0.43 0.00 -1.26 -5.07 120.51 107.43 1kn6 n ALA 56 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 53.44 54.51 1kn6 n ALA 56 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.35 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 0.75 0.21 0.25 0.00 -0.00 -1.26 -4.70 117.00 112.26 1kn6 n LEU 57 Ca -0.18 0.05 0.17 0.00 -0.00 0.00 0.00 56.01 56.04 1kn6 n LEU 57 Cb 0.28 -0.05 0.84 0.00 -0.00 0.00 0.00 43.42 44.50 1kn6 n LEU 57 CO 0.19 -0.56 1.00 1.12 -0.00 0.00 0.00 177.39 179.14 1kn6 h HIS 58 N 0.00 0.00 -0.27 1.47 2.07 -1.98 0.14 115.15 116.58 1kn6 h HIS 58 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1kn6 h HIS 58 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1kn6 h HIS 58 CO 0.00 0.00 0.00 1.51 -3.07 0.00 0.00 177.93 176.37 1kn6 n ILE 59 N -2.72 0.36 -1.43 6.12 0.00 -1.26 -3.58 119.36 116.84 1kn6 n ILE 59 Ca -0.01 -0.38 0.07 0.00 0.00 0.00 0.00 62.75 62.43 1kn6 n ILE 59 Cb 0.12 0.21 0.19 0.00 0.00 0.00 0.00 39.64 40.16 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 0.33 2.13 0.00 9.51 -1.04 0.49 -4.38 114.28 121.32 1kn6 n THR 60 Ca 0.11 -2.93 0.00 0.00 -2.04 0.00 0.00 64.05 59.19 1kn6 n THR 60 Cb 0.26 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 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 -1.21 0.00 0.00 -2.82 -0.00 -1.23 -4.76 118.16 108.14 1kn6 n LYS 61 Ca 0.19 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.57 1kn6 n LYS 61 Cb 0.69 0.00 0.39 0.00 -0.00 0.00 0.00 35.03 36.10 1kn6 n LYS 61 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1kn6 n ARG 62 N -1.61 0.16 0.11 -1.58 3.00 -1.26 -1.82 116.66 113.65 1kn6 n ARG 62 Ca 0.00 0.16 -0.05 0.00 -0.00 0.00 0.00 57.85 57.97 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 -0.26 -0.84 6.15 7.12 -1.83 -0.74 115.31 124.90 1kn6 h LEU 63 Ca 0.00 0.01 -0.11 0.00 0.13 0.00 0.00 57.88 57.91 1kn6 h LEU 63 Cb 0.19 0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.38 1kn6 h LEU 63 CO 0.00 -0.02 -0.37 0.77 -0.13 0.00 0.00 178.44 178.70 1kn6 h SER 64 N -0.66 0.44 -0.49 1.25 4.64 -1.83 0.65 113.55 117.54 1kn6 h SER 64 Ca -0.03 -0.18 0.04 0.00 -0.47 0.00 0.00 61.79 61.15 1kn6 h SER 64 Cb 0.24 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.17 1kn6 h SER 64 CO 0.05 0.77 0.26 0.44 -0.87 0.00 0.00 176.83 177.48 1kn6 h ASP 65 N 0.36 0.38 1.82 4.97 3.32 -1.46 -1.01 116.42 124.80 1kn6 h ASP 65 Ca 0.04 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1kn6 h ASP 65 Cb 0.81 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1kn6 h ASP 65 CO 0.07 0.27 -0.17 -0.78 -1.72 0.00 0.00 179.24 176.91 1kn6 h ASP 66 N 0.51 0.00 0.00 6.45 1.82 -0.81 -3.25 116.42 121.14 1kn6 h ASP 66 Ca 0.21 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 1kn6 h ASP 66 Cb 0.10 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.11 1kn6 h ASP 66 CO -0.14 0.00 0.17 -0.78 -1.61 0.00 0.00 179.24 176.88 1kn6 h ASP 67 N 0.00 0.00 -1.01 2.28 3.58 0.17 -2.35 116.42 119.09 1kn6 h ASP 67 Ca 0.00 0.00 0.29 0.00 0.42 0.00 0.00 57.03 57.74 1kn6 h ASP 67 Cb 0.99 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.00 1kn6 h ASP 67 CO 0.00 0.00 0.92 0.08 -2.88 0.00 0.00 179.24 177.36 1kn6 h ARG 68 N 0.00 0.00 -0.68 0.28 0.11 -1.58 -1.14 114.38 111.37 1kn6 h ARG 68 Ca 0.00 0.00 0.09 0.00 0.10 0.00 0.00 59.98 60.17 1kn6 h ARG 68 Cb 0.34 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 31.31 1kn6 h ARG 68 CO 0.00 0.00 -0.48 -0.39 0.10 0.00 0.00 179.97 179.20 1kn6 h VAL 69 N 0.00 0.05 0.00 0.08 -1.51 -1.74 -3.45 116.25 109.67 1kn6 h VAL 69 Ca 0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.95 1kn6 h VAL 69 Cb 2.31 0.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 1kn6 h VAL 69 CO -0.01 0.00 0.00 0.41 -1.23 0.00 0.00 177.57 176.74 1kn6 n THR 70 N -5.38 0.00 -3.87 7.19 -1.04 -0.43 -4.72 114.28 106.03 1kn6 n THR 70 Ca 0.02 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.92 1kn6 n THR 70 Cb 0.34 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.75 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 -0.27 0.03 -0.04 -1.42 1.48 -1.24 -5.07 118.94 112.40 1kn6 s TRP 71 Ca 0.00 -0.09 -0.02 0.00 -1.06 0.00 0.00 56.10 54.94 1kn6 s TRP 71 Cb 0.00 -0.04 0.03 0.00 -1.16 0.00 0.00 33.47 32.30 1kn6 s TRP 71 CO 0.00 -0.26 0.08 0.00 -4.06 0.00 0.00 176.95 172.71 1kn6 s ALA 72 N -1.22 0.05 -0.01 2.67 0.00 -1.26 -3.15 121.76 118.83 1kn6 s ALA 72 Ca -0.13 0.36 -0.10 0.00 0.00 0.00 0.00 51.96 52.09 1kn6 s ALA 72 Cb -0.07 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.55 1kn6 s ALA 72 CO 0.01 -0.34 0.21 -2.00 0.00 0.00 0.00 175.76 173.65 1kn6 s GLU 73 N 1.71 0.52 0.65 0.00 2.12 -1.20 -5.04 118.70 117.46 1kn6 s GLU 73 Ca -0.02 -0.24 -0.02 0.00 0.36 0.00 0.00 54.97 55.05 1kn6 s GLU 73 Cb -0.12 0.23 0.06 0.00 0.26 0.00 0.00 34.13 34.56 1kn6 s GLU 73 CO -0.04 -0.13 0.91 -0.65 -0.54 0.00 0.00 175.26 174.81 1kn6 s GLN 74 N -1.18 2.22 -0.42 4.30 1.11 -1.26 -2.24 119.66 122.19 1kn6 s GLN 74 Ca -0.13 -0.63 0.05 0.00 0.01 0.00 0.00 55.36 54.66 1kn6 s GLN 74 Cb -0.06 -2.33 0.17 0.00 -1.01 0.00 0.00 33.01 29.78 1kn6 s GLN 74 CO 0.02 -1.07 0.48 -1.14 0.01 0.00 0.00 175.29 173.59 1kn6 s GLN 75 N -5.03 0.83 0.00 2.91 2.00 -0.35 -4.83 119.66 115.19 1kn6 s GLN 75 Ca 0.60 -1.17 0.31 0.00 -2.00 0.00 0.00 55.36 53.10 1kn6 s GLN 75 Cb -0.09 -0.66 1.70 0.00 0.80 0.00 0.00 33.01 34.76 1kn6 s GLN 75 CO 0.42 -1.28 2.11 0.66 -0.50 0.00 0.00 175.29 176.70