#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 -2.13 0.24 -1.25 0.85 118.33 116.04 1kn6 n VAL 5 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1kn6 n VAL 5 Cb 0.00 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 1kn6 n VAL 5 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1kn6 n ASN 6 N -1.51 0.00 0.00 -1.34 6.94 -1.26 -3.02 115.26 115.08 1kn6 n ASN 6 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1kn6 n ASN 6 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1kn6 n ASN 6 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1kn6 n GLU 7 N 0.00 0.00 -3.73 -3.83 4.71 -1.21 -4.81 120.64 111.77 1kn6 n GLU 7 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.02 1kn6 n GLU 7 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 31.44 30.35 1kn6 n GLU 7 CO 0.00 0.00 0.00 -0.46 0.09 0.00 0.00 177.13 176.76 1kn6 s TRP 8 N -0.60 -0.20 -0.13 -0.32 -0.00 -1.14 -3.04 118.94 113.51 1kn6 s TRP 8 Ca 0.00 0.23 -0.14 0.00 -0.00 0.00 0.00 56.10 56.19 1kn6 s TRP 8 Cb 0.00 0.13 0.04 0.00 -0.00 0.00 0.00 33.47 33.64 1kn6 s TRP 8 CO 0.00 -0.46 0.38 0.00 -0.00 0.00 0.00 176.95 176.87 1kn6 s ALA 9 N -1.83 -0.95 0.32 5.86 0.00 -1.15 -2.47 121.76 121.55 1kn6 s ALA 9 Ca -0.10 1.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.85 1kn6 s ALA 9 Cb -0.03 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1kn6 s ALA 9 CO 0.02 -0.19 0.50 0.00 0.00 0.00 0.00 175.76 176.09 1kn6 n ALA 10 N 2.72 -0.59 -3.69 0.00 0.00 -0.94 -3.30 120.51 114.71 1kn6 n ALA 10 Ca -0.14 -1.39 -0.23 0.00 0.00 0.00 0.00 53.44 51.69 1kn6 n ALA 10 Cb 0.57 1.12 -0.18 0.00 0.00 0.00 0.00 19.45 20.96 1kn6 n ALA 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1kn6 s GLU 11 N -2.58 0.19 -0.18 0.00 2.12 -1.21 -2.23 118.70 114.82 1kn6 s GLU 11 Ca 0.23 0.15 -0.07 0.00 0.36 0.00 0.00 54.97 55.65 1kn6 s GLU 11 Cb -0.02 -1.03 0.08 0.00 0.26 0.00 0.00 34.13 33.43 1kn6 s GLU 11 CO 0.17 -0.42 0.38 0.96 -0.54 0.00 0.00 175.26 175.81 1kn6 s ILE 12 N 2.09 -0.51 0.45 -3.70 -0.00 -0.60 -3.44 121.20 115.49 1kn6 s ILE 12 Ca 0.04 0.19 0.28 0.00 -0.00 0.00 0.00 60.65 61.16 1kn6 s ILE 12 Cb -0.13 -0.60 0.48 0.00 -0.00 0.00 0.00 42.46 42.21 1kn6 s ILE 12 CO -0.05 0.08 1.73 -0.65 -0.00 0.00 0.00 174.94 176.04 1kn6 h PRO 13 N 8.06 0.18 0.00 0.37 0.11 -1.87 -3.39 132.00 135.47 1kn6 h PRO 13 Ca -0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1kn6 h PRO 13 Cb 1.12 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1kn6 h PRO 13 CO 0.15 0.12 0.00 0.41 -0.21 0.00 0.00 178.00 178.47 1kn6 n GLY 14 N -1.58 0.50 2.05 -0.55 0.00 -1.26 -4.77 105.19 99.57 1kn6 n GLY 14 Ca 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.30 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 4.51 -0.28 0.40 -0.02 0.00 -1.26 -4.77 105.19 103.77 1kn6 n GLY 15 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -0.95 0.00 1.61 4.20 -1.90 0.95 115.11 119.02 1kn6 h GLN 16 Ca -0.04 0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1kn6 h GLN 16 Cb 0.74 0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.73 1kn6 h GLN 16 CO 0.06 -0.63 -0.10 0.93 -0.67 0.00 0.00 178.83 178.42 1kn6 h GLU 17 N -1.21 0.00 0.00 1.46 5.08 -1.99 -3.16 114.58 114.76 1kn6 h GLU 17 Ca -0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1kn6 h GLU 17 Cb 0.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1kn6 h GLU 17 CO 0.16 0.05 -0.12 0.00 -1.00 0.00 0.00 179.01 178.10 1kn6 h ALA 18 N 1.95 0.02 0.45 3.43 0.00 -1.92 -2.93 119.26 120.27 1kn6 h ALA 18 Ca -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1kn6 h ALA 18 Cb 1.04 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1kn6 h ALA 18 CO 0.01 0.07 -0.44 0.00 0.00 0.00 0.00 179.25 178.88 1kn6 h ALA 19 N -0.21 -1.11 -0.19 0.00 0.00 0.83 -0.03 119.26 118.56 1kn6 h ALA 19 Ca -0.03 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1kn6 h ALA 19 Cb 0.87 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1kn6 h ALA 19 CO -0.02 -1.13 0.25 0.77 0.00 0.00 0.00 179.25 179.12 1kn6 h SER 20 N -0.89 0.00 1.12 0.00 0.02 -1.67 0.12 113.55 112.25 1kn6 h SER 20 Ca -0.06 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.76 1kn6 h SER 20 Cb 0.77 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 1kn6 h SER 20 CO -0.05 0.00 -0.66 0.00 -1.14 0.00 0.00 176.83 174.98 1kn6 h ALA 21 N 1.67 0.65 0.23 3.77 0.00 -0.94 -3.19 119.26 121.45 1kn6 h ALA 21 Ca 0.09 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1kn6 h ALA 21 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1kn6 h ALA 21 CO -0.00 0.82 -0.11 0.82 0.00 0.00 0.00 179.25 180.78 1kn6 h ILE 22 N 0.00 0.28 -0.91 0.00 2.04 0.10 -1.01 117.51 118.02 1kn6 h ILE 22 Ca -0.01 -0.91 0.24 0.00 1.00 0.00 0.00 64.86 65.19 1kn6 h ILE 22 Cb 1.40 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 1kn6 h ILE 22 CO 0.09 0.08 0.63 0.00 0.00 0.00 0.00 178.15 178.95 1kn6 h ALA 23 N -0.86 2.61 0.00 1.87 0.00 -1.68 0.51 119.26 121.71 1kn6 h ALA 23 Ca -0.03 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1kn6 h ALA 23 Cb 0.36 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1kn6 h ALA 23 CO 0.05 -0.88 -0.98 0.93 0.00 0.00 0.00 179.25 178.37 1kn6 h GLU 24 N 0.15 0.00 0.00 0.00 5.08 -1.59 0.20 114.58 118.43 1kn6 h GLU 24 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1kn6 h GLU 24 Cb 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1kn6 h GLU 24 CO -0.08 0.98 0.00 0.39 -1.00 0.00 0.00 179.01 179.29 1kn6 n GLU 25 N -3.34 0.00 0.20 2.33 4.71 0.17 -4.54 120.64 120.17 1kn6 n GLU 25 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.02 1kn6 n GLU 25 Cb 0.93 -0.64 -0.07 0.00 -1.01 0.00 0.00 31.44 30.65 1kn6 n GLU 25 CO 0.00 0.00 0.00 1.37 0.09 0.00 0.00 177.13 178.59 1kn6 h LEU 26 N 0.00 -1.04 0.00 -4.62 -0.00 -1.60 -3.47 115.31 104.58 1kn6 h LEU 26 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 1kn6 h LEU 26 Cb 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1kn6 h LEU 26 CO 0.00 -0.48 0.00 0.61 -0.00 0.00 0.00 178.44 178.57 1kn6 n GLY 27 N -1.40 -0.21 2.42 0.17 0.00 -1.18 -5.02 105.19 99.97 1kn6 n GLY 27 Ca -0.08 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -1.28 -4.01 1.61 4.02 0.70 -4.72 117.16 113.49 1kn6 n TYR 28 Ca 0.00 -1.60 -0.35 0.00 -0.01 0.00 0.00 57.90 55.94 1kn6 n TYR 28 Cb 0.00 0.43 -0.12 0.00 -0.02 0.00 0.00 39.34 39.63 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 -2.52 5.13 -0.14 7.72 1.01 -1.20 -4.37 116.67 122.31 1kn6 s ASP 29 Ca 0.19 -0.12 -0.23 0.00 0.71 0.00 0.00 52.55 53.10 1kn6 s ASP 29 Cb -0.01 -1.89 -0.03 0.00 1.01 0.00 0.00 42.92 42.00 1kn6 s ASP 29 CO 0.14 0.08 0.70 -0.22 0.21 0.00 0.00 175.17 176.08 1kn6 s LEU 30 N 0.94 4.22 -0.33 1.23 1.98 -1.26 -2.70 118.68 122.77 1kn6 s LEU 30 Ca 0.03 1.06 0.02 0.00 -2.89 0.00 0.00 54.13 52.34 1kn6 s LEU 30 Cb -0.14 -3.05 0.15 0.00 0.66 0.00 0.00 46.19 43.81 1kn6 s LEU 30 CO 0.02 -0.23 0.35 -0.76 -1.89 0.00 0.00 176.35 173.84 1kn6 s LEU 31 N 1.49 -0.24 -0.65 -0.68 2.01 0.16 -4.96 118.68 115.80 1kn6 s LEU 31 Ca 0.34 -1.08 0.05 0.00 0.01 0.00 0.00 54.13 53.46 1kn6 s LEU 31 Cb -0.17 0.62 0.26 0.00 0.01 0.00 0.00 46.19 46.92 1kn6 s LEU 31 CO 0.14 -0.32 0.81 0.61 1.01 0.00 0.00 176.35 178.59 1kn6 n GLY 32 N 4.83 4.94 2.77 -3.19 0.00 -1.26 -2.44 105.19 110.84 1kn6 n GLY 32 Ca 0.04 -2.78 -0.14 0.00 0.00 0.00 0.00 46.02 43.15 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 -2.62 0.78 -0.14 1.61 -2.07 -1.25 -4.67 119.66 111.31 1kn6 s GLN 33 Ca 0.41 -1.02 0.02 0.00 -1.82 0.00 0.00 55.36 52.94 1kn6 s GLN 33 Cb 0.16 -0.61 -0.24 0.00 -1.09 0.00 0.00 33.01 31.23 1kn6 s GLN 33 CO -0.02 -1.25 0.29 0.44 -1.32 0.00 0.00 175.29 173.43 1kn6 n ILE 34 N 3.82 1.65 -1.16 3.63 -0.00 -1.26 -5.05 119.36 120.99 1kn6 n ILE 34 Ca 0.15 -0.69 0.00 0.00 -0.00 0.00 0.00 62.75 62.21 1kn6 n ILE 34 Cb 0.49 -1.40 0.00 0.00 -0.00 0.00 0.00 39.64 38.73 1kn6 n ILE 34 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1kn6 n GLY 35 N 1.93 -0.29 0.00 3.28 0.00 -1.26 -4.97 105.19 103.88 1kn6 n GLY 35 Ca -0.31 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1kn6 n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kn6 n SER 36 N -0.49 0.00 -0.00 1.61 2.88 -1.26 -4.94 113.62 111.42 1kn6 n SER 36 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1kn6 n SER 36 Cb 0.10 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.54 1kn6 n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kn6 n LEU 37 N 0.00 0.03 -2.97 2.46 -0.00 -1.26 -5.08 117.00 110.19 1kn6 n LEU 37 Ca 0.00 -0.15 -0.23 0.00 -0.00 0.00 0.00 56.01 55.63 1kn6 n LEU 37 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 1kn6 n LEU 37 CO 0.00 0.01 -0.28 -1.84 -0.00 0.00 0.00 177.39 175.27 1kn6 n GLU 38 N -1.43 -1.19 0.00 1.47 0.28 -1.26 -4.72 120.64 113.79 1kn6 n GLU 38 Ca -0.00 1.01 0.00 0.00 -0.16 0.00 0.00 57.16 58.01 1kn6 n GLU 38 Cb 0.06 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 31.53 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 0.41 0.00 -4.77 -1.84 0.23 -1.26 -4.78 115.26 103.25 1kn6 n ASN 39 Ca -0.05 0.00 -0.39 0.00 -0.53 0.00 0.00 54.58 53.61 1kn6 n ASN 39 Cb 0.52 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 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 2.71 -0.14 -2.53 2.46 -1.26 -1.56 115.29 114.97 1kn6 s HIS 40 Ca 0.00 1.39 -0.11 0.00 0.47 0.00 0.00 55.06 56.81 1kn6 s HIS 40 Cb 0.00 -3.70 0.04 0.00 -0.13 0.00 0.00 32.58 28.79 1kn6 s HIS 40 CO 0.00 -2.27 0.37 0.71 -2.47 0.00 0.00 174.74 171.08 1kn6 s TYR 41 N -1.28 -0.45 0.19 3.88 1.51 -0.95 -3.80 117.35 116.46 1kn6 s TYR 41 Ca 0.60 1.05 -0.11 0.00 -1.01 0.00 0.00 57.07 57.59 1kn6 s TYR 41 Cb -0.38 0.16 -0.00 0.00 -0.11 0.00 0.00 41.96 41.63 1kn6 s TYR 41 CO 0.49 -0.23 0.37 -0.48 -1.11 0.00 0.00 175.55 174.59 1kn6 s LEU 42 N 0.55 0.64 0.08 -1.29 -0.00 -1.02 -2.22 118.68 115.42 1kn6 s LEU 42 Ca -0.03 -0.80 0.03 0.00 -0.00 0.00 0.00 54.13 53.33 1kn6 s LEU 42 Cb -0.04 1.50 -0.03 0.00 -0.00 0.00 0.00 46.19 47.61 1kn6 s LEU 42 CO -0.03 -0.98 -0.09 -0.36 -0.00 0.00 0.00 176.35 174.89 1kn6 s PHE 43 N -3.96 0.96 -0.17 3.48 0.08 -1.03 0.35 117.98 117.69 1kn6 s PHE 43 Ca 0.17 -0.66 -0.07 0.00 0.12 0.00 0.00 56.93 56.49 1kn6 s PHE 43 Cb 0.02 -0.54 0.07 0.00 -0.57 0.00 0.00 43.02 42.00 1kn6 s PHE 43 CO 0.01 -0.04 0.38 0.15 -0.10 0.00 0.00 175.22 175.62 1kn6 s LYS 44 N -2.65 0.32 -0.30 0.44 1.02 -1.10 -2.87 119.74 114.60 1kn6 s LYS 44 Ca 0.03 0.86 0.05 0.00 0.02 0.00 0.00 55.97 56.93 1kn6 s LYS 44 Cb -0.03 0.10 0.20 0.00 -0.52 0.00 0.00 37.83 37.57 1kn6 s LYS 44 CO -0.01 -0.21 0.62 -1.58 -0.92 0.00 0.00 175.35 173.25 1kn6 s HIS 45 N 1.98 -1.79 -0.49 3.18 2.46 -1.26 -3.21 115.29 116.15 1kn6 s HIS 45 Ca -0.05 0.97 -0.18 0.00 0.47 0.00 0.00 55.06 56.27 1kn6 s HIS 45 Cb -0.10 0.31 0.06 0.00 -0.13 0.00 0.00 32.58 32.71 1kn6 s HIS 45 CO -0.12 -1.06 0.57 0.15 -2.47 0.00 0.00 174.74 171.81 1kn6 s LYS 46 N 2.74 3.10 -0.35 2.88 3.01 -1.26 -4.89 119.74 124.97 1kn6 s LYS 46 Ca 0.11 -0.96 0.15 0.00 -1.01 0.00 0.00 55.97 54.26 1kn6 s LYS 46 Cb -0.09 -4.09 0.41 0.00 -1.01 0.00 0.00 37.83 33.05 1kn6 s LYS 46 CO -0.24 -1.15 0.92 0.43 0.51 0.00 0.00 175.35 175.81 1kn6 n SER 47 N 5.93 0.86 0.00 2.83 7.64 -1.26 -4.88 113.62 124.74 1kn6 n SER 47 Ca -0.08 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 56.98 1kn6 n SER 47 Cb 0.45 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 0.03 0.00 -0.58 1.43 1.44 -1.26 -5.16 115.22 111.11 1kn6 n HIS 48 Ca 0.13 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.54 1kn6 n HIS 48 Cb 0.77 0.00 0.21 0.00 0.12 0.00 0.00 29.99 31.09 1kn6 n HIS 48 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 1kn6 n PRO 49 N 0.00 -1.59 0.00 -1.40 -0.02 -1.26 -5.03 135.00 125.70 1kn6 n PRO 49 Ca 0.00 -0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.06 1kn6 n PRO 49 Cb 0.00 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 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 -4.13 0.00 -3.23 -0.52 1.74 -1.26 -5.11 116.66 104.15 1kn6 n ARG 50 Ca 0.06 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.18 1kn6 n ARG 50 Cb 0.54 -0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.96 1kn6 n ARG 50 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1kn6 s ARG 51 N -0.03 0.30 -1.01 5.56 3.03 -1.26 -4.94 118.95 120.59 1kn6 s ARG 51 Ca 0.00 0.61 -0.00 0.00 2.03 0.00 0.00 55.73 58.36 1kn6 s ARG 51 Cb 0.00 0.35 0.00 0.00 -1.03 0.00 0.00 34.95 34.27 1kn6 s ARG 51 CO 0.00 -0.25 0.05 0.45 -1.13 0.00 0.00 175.30 174.41 1kn6 n SER 52 N 5.31 -3.88 -0.06 -2.89 2.88 0.25 -4.90 113.62 110.34 1kn6 n SER 52 Ca -0.07 -0.03 0.08 0.00 -1.33 0.00 0.00 58.87 57.53 1kn6 n SER 52 Cb 0.53 -3.05 0.46 0.00 -0.75 0.00 0.00 64.21 61.40 1kn6 n SER 52 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1kn6 h ARG 53 N -0.11 0.48 -5.86 -1.46 9.65 -1.73 -3.47 114.38 111.88 1kn6 h ARG 53 Ca -0.29 -0.03 -0.35 0.00 -1.10 0.00 0.00 59.98 58.22 1kn6 h ARG 53 Cb 1.21 -0.11 0.14 0.00 -1.39 0.00 0.00 29.97 29.82 1kn6 h ARG 53 CO 0.34 0.32 -0.90 0.54 2.80 0.00 0.00 179.97 183.06 1kn6 n ARG 54 N -4.47 -1.70 0.00 0.20 1.74 -1.01 -4.99 116.66 106.43 1kn6 n ARG 54 Ca 0.07 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 1kn6 n ARG 54 Cb 0.23 -4.92 0.00 0.00 -1.02 0.00 0.00 32.46 26.75 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 -2.93 0.00 0.00 0.55 7.64 -1.25 -5.07 113.62 112.56 1kn6 n SER 55 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1kn6 n SER 55 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.35 0.00 0.03 -0.43 0.00 -1.26 -4.61 120.51 113.90 1kn6 n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1kn6 n ALA 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.59 0.19 0.00 -0.00 -1.26 -4.95 117.00 110.40 1kn6 n LEU 57 Ca 0.00 0.14 0.12 0.00 -0.00 0.00 0.00 56.01 56.27 1kn6 n LEU 57 Cb 0.00 0.91 0.18 0.00 -0.00 0.00 0.00 43.42 44.52 1kn6 n LEU 57 CO 0.00 -0.31 0.73 1.12 -0.00 0.00 0.00 177.39 178.92 1kn6 h HIS 58 N 0.00 0.00 -0.43 1.47 2.07 -1.99 -3.05 115.15 113.22 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 -2.92 0.90 -1.73 6.12 0.00 -1.26 -3.87 119.36 116.61 1kn6 n ILE 59 Ca 0.04 -0.67 0.06 0.00 0.00 0.00 0.00 62.75 62.17 1kn6 n ILE 59 Cb 0.52 0.12 0.12 0.00 0.00 0.00 0.00 39.64 40.40 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 0.71 1.34 0.09 9.51 -1.04 -1.15 -4.54 114.28 119.20 1kn6 n THR 60 Ca 0.16 -2.07 0.00 0.00 -2.04 0.00 0.00 64.05 60.09 1kn6 n THR 60 Cb 0.51 0.14 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 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 -0.68 0.00 0.00 -2.82 0.00 -1.25 -4.71 118.16 108.69 1kn6 n LYS 61 Ca 0.13 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.58 1kn6 n LYS 61 Cb 0.78 -0.17 0.65 0.00 -0.00 0.00 0.00 35.03 36.29 1kn6 n LYS 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1kn6 n ARG 62 N -3.31 0.31 -0.01 -1.58 5.12 -1.26 -3.21 116.66 112.73 1kn6 n ARG 62 Ca 0.00 -0.04 -0.00 0.00 -1.93 0.00 0.00 57.85 55.87 1kn6 n ARG 62 Cb 0.04 -1.50 -0.00 0.00 -1.16 0.00 0.00 32.46 29.84 1kn6 n ARG 62 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1kn6 h LEU 63 N 0.11 -0.02 -0.82 0.55 7.12 -1.83 -3.07 115.31 117.34 1kn6 h LEU 63 Ca 0.00 0.00 0.12 0.00 0.13 0.00 0.00 57.88 58.13 1kn6 h LEU 63 Cb 0.38 0.01 -0.08 0.00 -0.53 0.00 0.00 40.66 40.44 1kn6 h LEU 63 CO 0.00 0.16 0.44 0.77 -0.13 0.00 0.00 178.44 179.69 1kn6 h SER 64 N -0.39 0.59 -0.62 1.25 4.64 -1.85 1.35 113.55 118.52 1kn6 h SER 64 Ca -0.00 0.07 0.11 0.00 -0.47 0.00 0.00 61.79 61.49 1kn6 h SER 64 Cb 0.02 -0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 61.99 1kn6 h SER 64 CO 0.00 0.30 0.19 -0.78 -0.87 0.00 0.00 176.83 175.68 1kn6 h ASP 65 N 0.70 0.12 1.65 4.97 1.82 -1.71 0.11 116.42 124.09 1kn6 h ASP 65 Ca 0.42 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 57.16 1kn6 h ASP 65 Cb 0.48 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.60 1kn6 h ASP 65 CO -0.30 0.07 -0.24 0.44 -1.61 0.00 0.00 179.24 177.60 1kn6 h ASP 66 N 0.34 0.00 0.00 2.28 5.19 -0.90 -3.30 116.42 120.03 1kn6 h ASP 66 Ca 0.33 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 1kn6 h ASP 66 Cb 0.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1kn6 h ASP 66 CO -0.37 0.01 0.10 -0.78 -3.12 0.00 0.00 179.24 175.08 1kn6 h ASP 67 N 0.00 0.00 -0.59 6.45 3.58 0.44 -2.82 116.42 123.48 1kn6 h ASP 67 Ca 0.00 0.00 0.17 0.00 0.42 0.00 0.00 57.03 57.62 1kn6 h ASP 67 Cb 0.94 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.97 1kn6 h ASP 67 CO 0.00 0.00 0.80 0.03 -2.88 0.00 0.00 179.24 177.19 1kn6 h ARG 68 N 0.00 0.00 -0.44 0.28 -0.00 -1.63 -1.49 114.38 111.10 1kn6 h ARG 68 Ca 0.00 0.00 0.08 0.00 -0.50 0.00 0.00 59.98 59.56 1kn6 h ARG 68 Cb 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 29.97 30.07 1kn6 h ARG 68 CO 0.00 0.00 -0.40 -0.39 0.00 0.00 0.00 179.97 179.18 1kn6 h VAL 69 N 0.00 0.13 0.00 2.04 -1.51 -1.83 -3.45 116.25 111.62 1kn6 h VAL 69 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.75 1kn6 h VAL 69 Cb 1.89 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 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 -3.85 7.19 -1.04 -0.56 -4.85 114.28 105.75 1kn6 n THR 70 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.90 1kn6 n THR 70 Cb 0.35 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.76 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 0.00 -0.02 -0.15 -1.42 1.48 -1.22 -5.07 118.94 112.53 1kn6 s TRP 71 Ca 0.00 0.01 -0.11 0.00 -1.06 0.00 0.00 56.10 54.94 1kn6 s TRP 71 Cb 0.00 -0.02 0.05 0.00 -1.16 0.00 0.00 33.47 32.34 1kn6 s TRP 71 CO 0.00 -0.26 0.39 0.00 -4.06 0.00 0.00 176.95 173.02 1kn6 s ALA 72 N -1.10 -0.96 -0.07 2.67 0.00 -1.26 -3.32 121.76 117.71 1kn6 s ALA 72 Ca -0.12 1.26 -0.15 0.00 0.00 0.00 0.00 51.96 52.95 1kn6 s ALA 72 Cb -0.06 -0.75 0.03 0.00 0.00 0.00 0.00 23.12 22.34 1kn6 s ALA 72 CO 0.02 -0.22 0.35 -2.00 0.00 0.00 0.00 175.76 173.91 1kn6 s GLU 73 N 0.74 0.57 0.51 0.00 2.56 -1.21 -4.99 118.70 116.88 1kn6 s GLU 73 Ca -0.04 0.15 -0.01 0.00 0.00 0.00 0.00 54.97 55.07 1kn6 s GLU 73 Cb -0.05 0.26 0.01 0.00 2.00 0.00 0.00 34.13 36.35 1kn6 s GLU 73 CO -0.05 -0.13 0.74 1.14 -0.56 0.00 0.00 175.26 176.40 1kn6 s GLN 74 N -0.63 2.88 0.00 4.30 -2.07 -1.26 -2.94 119.66 119.94 1kn6 s GLN 74 Ca -0.07 -0.48 0.00 0.00 -1.82 0.00 0.00 55.36 52.98 1kn6 s GLN 74 Cb -0.04 -2.48 0.00 0.00 -1.09 0.00 0.00 33.01 29.40 1kn6 s GLN 74 CO 0.03 -0.48 0.00 0.94 -1.32 0.00 0.00 175.29 174.46 1kn6 n GLN 75 N -2.25 0.00 -0.37 9.60 -0.06 -1.17 -4.97 117.38 118.16 1kn6 n GLN 75 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.04 1kn6 n GLN 75 Cb 0.58 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.76 1kn6 n GLN 75 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52