#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kn9 s ALA 2 N 0.00 -2.01 -0.47 3.04 0.00 -1.26 -5.11 121.76 115.95 2kn9 s ALA 2 Ca 0.00 0.84 -0.27 0.00 0.00 0.00 0.00 51.96 52.53 2kn9 s ALA 2 Cb 0.00 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 2kn9 s ALA 2 CO 0.00 -1.77 1.84 -1.01 0.00 0.00 0.00 175.76 174.82 2kn9 s HIS 3 N 2.74 1.73 -0.18 0.00 0.09 -1.26 -4.96 115.29 113.46 2kn9 s HIS 3 Ca 0.11 0.75 -0.07 0.00 -0.00 0.00 0.00 55.06 55.85 2kn9 s HIS 3 Cb -0.11 -4.09 -0.04 0.00 -0.00 0.00 0.00 32.58 28.34 2kn9 s HIS 3 CO -0.27 -2.58 0.04 -1.01 -0.00 0.00 0.00 174.74 170.92 2kn9 s HIS 4 N 8.10 3.20 -0.40 1.40 4.02 -1.26 -5.04 115.29 125.31 2kn9 s HIS 4 Ca 0.74 -0.00 0.01 0.00 1.02 0.00 0.00 55.06 56.83 2kn9 s HIS 4 Cb -0.17 -2.05 0.14 0.00 -1.02 0.00 0.00 32.58 29.48 2kn9 s HIS 4 CO 0.27 0.12 0.23 -1.01 1.02 0.00 0.00 174.74 175.37 2kn9 s HIS 5 N 0.35 1.44 -0.35 1.40 0.09 -1.26 -5.09 115.29 111.88 2kn9 s HIS 5 Ca 0.01 -2.08 -0.28 0.00 -0.00 0.00 0.00 55.06 52.71 2kn9 s HIS 5 Cb -0.13 -1.47 -0.04 0.00 -0.00 0.00 0.00 32.58 30.95 2kn9 s HIS 5 CO 0.01 -0.80 2.05 -3.38 -0.00 0.00 0.00 174.74 172.61 2kn9 s HIS 6 N 0.65 1.45 -0.35 1.40 -3.43 -1.26 -4.94 115.29 108.82 2kn9 s HIS 6 Ca 0.18 0.76 -0.04 0.00 -0.80 0.00 0.00 55.06 55.16 2kn9 s HIS 6 Cb -0.23 -3.97 0.06 0.00 -1.43 0.00 0.00 32.58 27.01 2kn9 s HIS 6 CO 0.00 -3.21 0.10 -3.38 -2.00 0.00 0.00 174.74 166.25 2kn9 s HIS 7 N 8.46 3.34 -0.27 0.38 -3.43 -1.26 -5.04 115.29 117.46 2kn9 s HIS 7 Ca 0.88 -1.82 0.02 0.00 -0.80 0.00 0.00 55.06 53.34 2kn9 s HIS 7 Cb -0.24 -2.47 0.07 0.00 -1.43 0.00 0.00 32.58 28.51 2kn9 s HIS 7 CO 0.31 -0.82 -0.02 -1.58 -2.00 0.00 0.00 174.74 170.63 2kn9 s HIS 8 N 1.29 2.81 -0.13 0.38 5.04 -1.26 -4.98 115.29 118.45 2kn9 s HIS 8 Ca -0.01 -2.17 0.19 0.00 -1.54 0.00 0.00 55.06 51.53 2kn9 s HIS 8 Cb -0.21 -1.99 -0.22 0.00 0.04 0.00 0.00 32.58 30.21 2kn9 s HIS 8 CO -0.00 -0.85 0.52 -1.33 -2.34 0.00 0.00 174.74 170.73 2kn9 n MET 9 N 4.54 0.65 0.00 2.88 0.00 -1.26 -5.09 117.12 118.84 2kn9 n MET 9 Ca -0.07 0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.66 2kn9 n MET 9 Cb 0.43 -1.65 0.00 0.00 0.00 0.00 0.00 33.22 32.00 2kn9 n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2kn9 n GLY 10 N 1.46 -1.10 2.79 3.03 0.00 -1.26 -4.95 105.19 105.15 2kn9 n GLY 10 Ca -0.15 -2.14 -0.29 0.00 0.00 0.00 0.00 46.02 43.44 2kn9 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kn9 s THR 11 N 0.00 0.95 -0.65 2.61 2.01 -1.26 -5.07 115.64 114.23 2kn9 s THR 11 Ca 0.00 -1.14 -0.23 0.00 0.31 0.00 0.00 61.69 60.63 2kn9 s THR 11 Cb 0.00 -1.53 0.06 0.00 0.01 0.00 0.00 72.50 71.04 2kn9 s THR 11 CO 0.00 -0.41 0.99 -0.22 -0.69 0.00 0.00 174.62 174.29 2kn9 s LEU 12 N 1.62 4.21 -0.35 4.42 2.96 -1.26 -5.00 118.68 125.28 2kn9 s LEU 12 Ca 0.03 -0.82 -0.09 0.00 -0.22 0.00 0.00 54.13 53.03 2kn9 s LEU 12 Cb -0.18 -2.50 0.03 0.00 0.50 0.00 0.00 46.19 44.04 2kn9 s LEU 12 CO -0.15 -1.45 0.16 -1.61 -1.32 0.00 0.00 176.35 171.98 2kn9 s GLU 13 N 4.22 2.82 0.04 1.98 2.02 -1.26 -4.89 118.70 123.63 2kn9 s GLU 13 Ca 0.25 -1.07 0.23 0.00 0.02 0.00 0.00 54.97 54.40 2kn9 s GLU 13 Cb -0.15 -3.60 0.18 0.00 0.10 0.00 0.00 34.13 30.66 2kn9 s GLU 13 CO 0.12 -0.64 1.15 0.00 0.02 0.00 0.00 175.26 175.91 2kn9 n ALA 14 N 4.92 3.48 0.03 5.21 0.00 -1.26 -4.63 120.51 128.26 2kn9 n ALA 14 Ca -0.12 -0.38 -0.02 0.00 0.00 0.00 0.00 53.44 52.92 2kn9 n ALA 14 Cb 0.46 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.88 2kn9 n ALA 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2kn9 n GLN 15 N -1.84 0.09 -1.84 0.00 6.02 -1.26 -5.01 117.38 113.54 2kn9 n GLN 15 Ca 0.03 0.03 -0.15 0.00 -0.01 0.00 0.00 57.00 56.90 2kn9 n GLN 15 Cb 0.40 -0.65 -0.04 0.00 1.02 0.00 0.00 30.24 30.97 2kn9 n GLN 15 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2kn9 n THR 16 N -3.64 -0.34 -3.40 5.09 -1.04 -1.26 -4.99 114.28 104.70 2kn9 n THR 16 Ca -0.02 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.65 2kn9 n THR 16 Cb 0.10 -1.94 -0.06 0.00 -1.82 0.00 0.00 70.33 66.61 2kn9 n THR 16 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2kn9 s GLN 17 N -3.98 3.89 -0.01 -2.82 -0.21 -1.26 -5.04 119.66 110.22 2kn9 s GLN 17 Ca 0.00 0.37 -0.00 0.00 0.02 0.00 0.00 55.36 55.75 2kn9 s GLN 17 Cb 0.00 -2.81 -0.00 0.00 1.00 0.00 0.00 33.01 31.20 2kn9 s GLN 17 CO 0.00 0.41 0.06 0.78 -2.12 0.00 0.00 175.29 174.42 2kn9 h GLY 18 N 3.12 -0.01 0.00 3.09 0.00 -1.96 -3.48 103.07 103.83 2kn9 h GLY 18 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2kn9 h GLY 18 CO 0.67 -0.00 0.00 -1.55 0.00 0.00 0.00 176.54 175.66 2kn9 n PRO 19 N -2.20 3.03 0.00 4.80 -0.04 -1.26 -5.00 135.00 134.33 2kn9 n PRO 19 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2kn9 n PRO 19 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2kn9 n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kn9 n GLY 20 N 5.00 5.17 2.67 0.55 0.00 -1.26 -5.08 105.19 112.24 2kn9 n GLY 20 Ca 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 46.02 45.12 2kn9 n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kn9 n SER 21 N 0.00 -0.75 -0.07 1.61 7.64 -1.26 -4.94 113.62 115.85 2kn9 n SER 21 Ca 0.00 -2.17 -0.05 0.00 1.01 0.00 0.00 58.87 57.66 2kn9 n SER 21 Cb 0.00 0.41 -0.02 0.00 -1.01 0.00 0.00 64.21 63.59 2kn9 n SER 21 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2kn9 n MET 22 N -1.30 0.46 -0.20 1.43 0.00 -1.26 -0.52 117.12 115.73 2kn9 n MET 22 Ca -0.12 0.51 0.00 0.00 0.00 0.00 0.00 57.70 58.08 2kn9 n MET 22 Cb 0.86 -1.68 0.00 0.00 0.00 0.00 0.00 33.22 32.40 2kn9 n MET 22 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2kn9 n ASN 23 N -4.60 0.00 -0.20 6.12 5.15 -1.26 -2.92 115.26 117.54 2kn9 n ASN 23 Ca -0.08 -0.57 0.00 0.00 -0.60 0.00 0.00 54.58 53.34 2kn9 n ASN 23 Cb 0.28 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 2kn9 n ASN 23 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2kn9 n ASP 24 N 0.00 0.00 -4.79 1.20 5.75 -1.26 -5.06 116.55 112.39 2kn9 n ASP 24 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.47 2kn9 n ASP 24 Cb 0.28 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.45 2kn9 n ASP 24 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2kn9 s TYR 25 N 3.37 2.80 0.65 2.11 1.51 -1.26 -4.91 117.35 121.62 2kn9 s TYR 25 Ca 0.00 1.42 -0.08 0.00 -1.01 0.00 0.00 57.07 57.40 2kn9 s TYR 25 Cb 0.00 -3.00 0.02 0.00 -0.11 0.00 0.00 41.96 38.87 2kn9 s TYR 25 CO 0.00 -1.63 0.99 0.15 -1.11 0.00 0.00 175.55 173.95 2kn9 s LYS 26 N -4.99 2.75 0.10 -0.62 -0.14 -1.26 -4.78 119.74 110.79 2kn9 s LYS 26 Ca 0.60 0.11 0.09 0.00 -1.36 0.00 0.00 55.97 55.41 2kn9 s LYS 26 Cb -0.16 -2.17 -0.04 0.00 -1.68 0.00 0.00 37.83 33.79 2kn9 s LYS 26 CO 0.55 -0.92 -0.22 -0.51 -0.76 0.00 0.00 175.35 173.50 2kn9 s LEU 27 N -5.17 2.51 -0.03 3.17 1.43 -0.48 -1.37 118.68 118.74 2kn9 s LEU 27 Ca 0.56 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2kn9 s LEU 27 Cb -0.11 -1.41 0.01 0.00 0.03 0.00 0.00 46.19 44.71 2kn9 s LEU 27 CO 0.47 0.20 -0.07 -0.36 0.23 0.00 0.00 176.35 176.82 2kn9 s PHE 28 N -1.05 0.82 -0.05 0.29 0.40 0.47 0.54 117.98 119.40 2kn9 s PHE 28 Ca 0.16 -0.21 0.04 0.00 -0.60 0.00 0.00 56.93 56.31 2kn9 s PHE 28 Cb -0.10 -0.63 0.00 0.00 0.51 0.00 0.00 43.02 42.80 2kn9 s PHE 28 CO 0.07 -0.13 -0.16 0.50 0.70 0.00 0.00 175.22 176.21 2kn9 s ARG 29 N 0.44 1.73 -0.01 0.44 3.52 -0.37 0.85 118.95 125.55 2kn9 s ARG 29 Ca -0.06 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 54.68 2kn9 s ARG 29 Cb -0.10 -1.49 -0.04 0.00 -1.56 0.00 0.00 34.95 31.76 2kn9 s ARG 29 CO 0.00 0.19 1.15 0.00 -0.81 0.00 0.00 175.30 175.84 2kn9 n ILE 31 N 4.27 0.16 0.73 0.00 -5.35 0.14 -0.57 119.36 118.74 2kn9 n ILE 31 Ca 0.09 -0.09 0.13 0.00 -0.27 0.00 0.00 62.75 62.61 2kn9 n ILE 31 Cb 0.47 -0.26 0.38 0.00 -1.74 0.00 0.00 39.64 38.49 2kn9 n ILE 31 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kn9 n GLN 32 N -1.73 0.19 0.00 6.28 1.13 -1.26 -4.67 117.38 117.32 2kn9 n GLN 32 Ca 0.06 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 2kn9 n GLN 32 Cb 0.37 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 29.04 2kn9 n GLN 32 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kn9 n GLY 34 N -0.56 0.79 3.65 0.00 0.00 0.26 -5.05 105.19 104.27 2kn9 n GLY 34 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 2kn9 n GLY 34 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kn9 n PHE 35 N 0.00 2.30 -4.06 1.61 7.35 -1.25 -4.62 117.46 118.79 2kn9 n PHE 35 Ca 0.00 -0.13 -0.36 0.00 -0.76 0.00 0.00 57.45 56.21 2kn9 n PHE 35 Cb 0.00 -2.71 -0.08 0.00 0.35 0.00 0.00 39.48 37.04 2kn9 n PHE 35 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2kn9 s GLU 36 N 4.66 3.47 -0.15 -4.13 2.02 -1.26 0.37 118.70 123.68 2kn9 s GLU 36 Ca 0.94 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 55.66 2kn9 s GLU 36 Cb -0.57 -3.08 0.02 0.00 0.10 0.00 0.00 34.13 30.59 2kn9 s GLU 36 CO 0.46 0.61 -0.16 -0.47 0.02 0.00 0.00 175.26 175.72 2kn9 s TYR 37 N -0.57 2.28 -0.16 1.61 5.04 0.25 -4.99 117.35 120.81 2kn9 s TYR 37 Ca 0.11 -1.27 -0.16 0.00 -2.44 0.00 0.00 57.07 53.31 2kn9 s TYR 37 Cb -0.12 -1.65 -0.04 0.00 0.35 0.00 0.00 41.96 40.50 2kn9 s TYR 37 CO 0.02 -0.67 0.40 -0.51 -1.34 0.00 0.00 175.55 173.45 2kn9 s ASP 38 N 1.37 6.54 0.56 4.32 1.01 -1.26 -0.39 116.67 128.81 2kn9 s ASP 38 Ca 0.03 0.63 0.30 0.00 0.71 0.00 0.00 52.55 54.23 2kn9 s ASP 38 Cb -0.13 -2.24 1.64 0.00 1.01 0.00 0.00 42.92 43.20 2kn9 s ASP 38 CO -0.10 0.01 2.14 -0.33 0.21 0.00 0.00 175.17 177.10 2kn9 h GLU 39 N 6.90 0.00 0.00 8.23 5.08 -1.53 0.77 114.58 134.02 2kn9 h GLU 39 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2kn9 h GLU 39 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kn9 h GLU 39 CO 0.75 0.07 -0.42 0.00 -1.00 0.00 0.00 179.01 178.41 2kn9 n ALA 40 N -2.25 3.11 -0.12 3.43 0.00 -1.26 -0.64 120.51 122.78 2kn9 n ALA 40 Ca -0.02 -0.26 -0.18 0.00 0.00 0.00 0.00 53.44 52.98 2kn9 n ALA 40 Cb 0.19 -1.21 -0.11 0.00 0.00 0.00 0.00 19.45 18.32 2kn9 n ALA 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2kn9 n LEU 41 N -1.69 2.85 0.00 0.00 7.94 -0.46 -4.46 117.00 121.18 2kn9 n LEU 41 Ca 0.05 -0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 2kn9 n LEU 41 Cb 0.37 -0.83 0.00 0.00 0.53 0.00 0.00 43.42 43.48 2kn9 n LEU 41 CO 0.34 0.86 0.00 0.61 -1.11 0.00 0.00 177.39 178.09 2kn9 n GLY 42 N 2.24 -0.59 2.75 -3.96 0.00 0.14 -3.96 105.19 101.81 2kn9 n GLY 42 Ca -0.43 -1.12 -0.05 0.00 0.00 0.00 0.00 46.02 44.42 2kn9 n GLY 42 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2kn9 n TRP 43 N 0.00 -3.72 0.30 1.61 -0.00 0.15 -4.67 117.44 111.11 2kn9 n TRP 43 Ca 0.00 -1.45 0.19 0.00 -0.00 0.00 0.00 57.50 56.24 2kn9 n TRP 43 Cb 0.00 1.46 0.88 0.00 -0.00 0.00 0.00 31.31 33.64 2kn9 n TRP 43 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 2kn9 h PRO 44 N 4.93 0.00 -0.90 5.87 0.11 -1.78 0.35 132.00 140.58 2kn9 h PRO 44 Ca 0.05 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.28 2kn9 h PRO 44 Cb 1.10 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 2kn9 h PRO 44 CO 0.05 0.00 0.53 0.93 -0.21 0.00 0.00 178.00 179.30 2kn9 h GLU 45 N 0.00 0.81 0.00 1.05 4.39 -1.95 -2.95 114.58 115.94 2kn9 h GLU 45 Ca 0.00 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 2kn9 h GLU 45 Cb 0.28 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 2kn9 h GLU 45 CO 0.00 0.54 -2.02 -3.47 -1.16 0.00 0.00 179.01 172.90 2kn9 n ASP 46 N -4.72 0.38 0.00 1.42 2.03 -0.67 -4.98 116.55 110.01 2kn9 n ASP 46 Ca 0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2kn9 n ASP 46 Cb 0.34 1.68 0.00 0.00 -0.72 0.00 0.00 41.12 42.42 2kn9 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kn9 n GLY 47 N 1.48 0.72 3.71 0.27 0.00 -0.47 -5.11 105.19 105.79 2kn9 n GLY 47 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2kn9 n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kn9 s ILE 48 N -1.63 4.21 0.15 -0.61 -1.09 -0.01 -4.86 121.20 117.36 2kn9 s ILE 48 Ca 0.00 1.58 -0.07 0.00 -2.23 0.00 0.00 60.65 59.93 2kn9 s ILE 48 Cb 0.00 -4.01 -0.06 0.00 -1.58 0.00 0.00 42.46 36.81 2kn9 s ILE 48 CO 0.00 0.09 0.41 0.00 -1.23 0.00 0.00 174.94 174.21 2kn9 s ALA 49 N 1.36 3.74 -0.06 9.38 0.00 -1.26 -0.68 121.76 134.24 2kn9 s ALA 49 Ca 0.57 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 51.76 2kn9 s ALA 49 Cb -0.27 -2.21 -0.08 0.00 0.00 0.00 0.00 23.12 20.56 2kn9 s ALA 49 CO 0.27 0.62 2.07 0.00 0.00 0.00 0.00 175.76 178.72 2kn9 n ALA 50 N 0.21 1.64 0.00 0.00 0.00 -1.25 -1.23 120.51 119.87 2kn9 n ALA 50 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2kn9 n ALA 50 Cb 0.52 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.20 2kn9 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kn9 n GLY 51 N 4.99 0.67 3.69 0.00 0.00 0.19 -4.94 105.19 109.79 2kn9 n GLY 51 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2kn9 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kn9 s THR 52 N -2.00 3.58 0.48 2.61 2.01 -0.37 -5.00 115.64 116.95 2kn9 s THR 52 Ca 0.00 0.97 -0.22 0.00 0.31 0.00 0.00 61.69 62.75 2kn9 s THR 52 Cb 0.00 -3.63 -0.07 0.00 0.01 0.00 0.00 72.50 68.81 2kn9 s THR 52 CO 0.00 -0.00 1.14 -0.13 -0.69 0.00 0.00 174.62 174.94 2kn9 s ARG 53 N 2.46 3.68 0.39 4.92 1.81 -1.26 -4.85 118.95 126.09 2kn9 s ARG 53 Ca 0.66 1.69 0.10 0.00 -1.72 0.00 0.00 55.73 56.46 2kn9 s ARG 53 Cb -0.33 -2.29 0.87 0.00 -0.45 0.00 0.00 34.95 32.75 2kn9 s ARG 53 CO 0.28 -0.60 1.94 2.35 -0.68 0.00 0.00 175.30 178.59 2kn9 h TRP 54 N 1.83 0.66 0.00 -0.53 2.91 -1.94 0.76 115.95 119.64 2kn9 h TRP 54 Ca -0.49 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 59.49 2kn9 h TRP 54 Cb 1.25 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.68 2kn9 h TRP 54 CO 0.53 0.30 -0.24 -0.44 -1.03 0.00 0.00 178.44 177.57 2kn9 h ASP 55 N 0.61 0.00 1.39 2.65 3.32 -2.01 -2.83 116.42 119.55 2kn9 h ASP 55 Ca 0.35 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.31 2kn9 h ASP 55 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2kn9 h ASP 55 CO -0.12 0.24 -0.63 -0.78 -1.72 0.00 0.00 179.24 176.23 2kn9 h ASP 56 N 0.00 0.00 -3.01 6.45 3.58 -1.24 -3.44 116.42 118.76 2kn9 h ASP 56 Ca -0.00 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.91 2kn9 h ASP 56 Cb 0.70 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.76 2kn9 h ASP 56 CO 0.03 0.39 0.73 -0.63 -2.88 0.00 0.00 179.24 176.88 2kn9 s ILE 57 N -3.03 3.64 0.18 2.25 1.01 -0.80 -4.96 121.20 119.49 2kn9 s ILE 57 Ca 0.03 1.13 -0.33 0.00 0.00 0.00 0.00 60.65 61.47 2kn9 s ILE 57 Cb 0.07 -3.72 -0.15 0.00 0.01 0.00 0.00 42.46 38.67 2kn9 s ILE 57 CO 0.75 0.05 1.36 -0.81 0.00 0.00 0.00 174.94 176.29 2kn9 n PRO 58 N 4.54 1.65 0.03 2.79 -0.04 -1.26 -4.85 135.00 137.87 2kn9 n PRO 58 Ca 0.12 0.59 0.09 0.00 -0.04 0.00 0.00 63.50 64.26 2kn9 n PRO 58 Cb 0.44 -2.22 0.40 0.00 -0.04 0.00 0.00 33.50 32.07 2kn9 n PRO 58 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kn9 n ASP 59 N 2.45 0.19 0.11 3.54 2.03 -1.26 -1.06 116.55 122.55 2kn9 n ASP 59 Ca 0.15 0.54 0.13 0.00 0.52 0.00 0.00 54.79 56.13 2kn9 n ASP 59 Cb 0.27 -0.58 0.35 0.00 -0.72 0.00 0.00 41.12 40.44 2kn9 n ASP 59 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2kn9 h ASP 60 N 0.00 0.00 -2.94 1.67 3.58 -2.03 -3.42 116.42 113.28 2kn9 h ASP 60 Ca 0.00 -0.02 -0.52 0.00 0.42 0.00 0.00 57.03 56.90 2kn9 h ASP 60 Cb 0.33 0.00 0.05 0.00 1.72 0.00 0.00 39.33 41.43 2kn9 h ASP 60 CO 0.00 0.01 0.85 0.86 -2.88 0.00 0.00 179.24 178.09 2kn9 s TRP 61 N -3.12 3.05 0.24 0.28 -0.00 -0.22 -4.99 118.94 114.18 2kn9 s TRP 61 Ca 0.10 0.71 0.09 0.00 -0.00 0.00 0.00 56.10 57.00 2kn9 s TRP 61 Cb 0.12 -3.91 -0.04 0.00 -0.00 0.00 0.00 33.47 29.64 2kn9 s TRP 61 CO 0.62 -3.26 0.01 -1.12 -0.00 0.00 0.00 176.95 173.20 2kn9 s SER 62 N 0.98 4.67 -0.05 5.86 0.01 -1.26 -3.97 113.70 119.94 2kn9 s SER 62 Ca 0.68 -0.55 -0.31 0.00 1.31 0.00 0.00 55.95 57.08 2kn9 s SER 62 Cb -0.43 -0.93 -0.09 0.00 0.21 0.00 0.00 66.02 64.78 2kn9 s SER 62 CO 0.34 0.02 2.02 0.00 0.41 0.00 0.00 173.24 176.03 2kn9 n PRO 64 N 7.66 0.06 -0.06 0.00 -0.02 -1.26 0.56 135.00 141.93 2kn9 n PRO 64 Ca 0.23 0.54 -0.20 0.00 -2.02 0.00 0.00 63.50 62.06 2kn9 n PRO 64 Cb 0.39 -1.72 -0.13 0.00 -0.02 0.00 0.00 33.50 32.03 2kn9 n PRO 64 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2kn9 h ASP 65 N 0.00 0.11 0.00 2.55 3.58 -1.97 -3.43 116.42 117.26 2kn9 h ASP 65 Ca 0.00 -0.74 0.00 0.00 0.42 0.00 0.00 57.03 56.71 2kn9 h ASP 65 Cb 0.07 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2kn9 h ASP 65 CO 0.00 1.39 0.00 0.00 -2.88 0.00 0.00 179.24 177.75 2kn9 n GLY 67 N -0.04 0.93 3.79 0.00 0.00 0.19 -4.98 105.19 105.09 2kn9 n GLY 67 Ca 0.00 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 2kn9 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kn9 s ALA 68 N -2.21 2.73 0.80 4.61 0.00 -1.25 -4.56 121.76 121.86 2kn9 s ALA 68 Ca 0.00 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 52.45 2kn9 s ALA 68 Cb 0.00 -3.29 0.07 0.00 0.00 0.00 0.00 23.12 19.90 2kn9 s ALA 68 CO 0.00 -0.71 1.16 0.00 0.00 0.00 0.00 175.76 176.20 2kn9 s ALA 69 N -2.09 2.62 0.49 0.00 0.00 -1.26 0.67 121.76 122.19 2kn9 s ALA 69 Ca 0.68 -0.56 0.18 0.00 0.00 0.00 0.00 51.96 52.26 2kn9 s ALA 69 Cb -0.19 -2.98 1.25 0.00 0.00 0.00 0.00 23.12 21.20 2kn9 s ALA 69 CO 0.29 -1.61 2.10 0.87 0.00 0.00 0.00 175.76 177.41 2kn9 h LYS 70 N -1.01 0.00 0.00 0.00 1.57 -1.81 0.44 116.57 115.76 2kn9 h LYS 70 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2kn9 h LYS 70 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2kn9 h LYS 70 CO 0.65 0.08 0.00 0.43 -0.57 0.00 0.00 179.45 180.04 2kn9 n SER 71 N -4.30 0.07 -1.50 0.86 7.64 -1.26 -0.95 113.62 114.18 2kn9 n SER 71 Ca -0.03 0.52 0.08 0.00 1.01 0.00 0.00 58.87 60.45 2kn9 n SER 71 Cb 0.16 -0.53 0.33 0.00 -1.01 0.00 0.00 64.21 63.15 2kn9 n SER 71 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kn9 n ASP 72 N -1.58 4.44 -4.68 6.43 8.00 0.14 -4.91 116.55 124.40 2kn9 n ASP 72 Ca 0.02 -2.47 -0.31 0.00 0.71 0.00 0.00 54.79 52.74 2kn9 n ASP 72 Cb 0.10 -0.57 -0.08 0.00 -0.02 0.00 0.00 41.12 40.55 2kn9 n ASP 72 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2kn9 s PHE 73 N -1.95 2.99 0.07 1.24 0.40 -0.12 0.26 117.98 120.87 2kn9 s PHE 73 Ca 0.46 -0.01 0.06 0.00 -0.60 0.00 0.00 56.93 56.84 2kn9 s PHE 73 Cb 0.31 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.23 2kn9 s PHE 73 CO 0.20 0.47 -0.09 -1.83 0.70 0.00 0.00 175.22 174.67 2kn9 s GLU 74 N -2.07 2.27 -0.26 0.44 -1.05 0.16 -4.90 118.70 113.29 2kn9 s GLU 74 Ca 0.24 -0.92 -0.18 0.00 -0.15 0.00 0.00 54.97 53.95 2kn9 s GLU 74 Cb -0.12 -2.36 -0.02 0.00 -0.44 0.00 0.00 34.13 31.19 2kn9 s GLU 74 CO 0.16 0.54 0.54 1.41 0.95 0.00 0.00 175.26 178.86 2kn9 s MET 75 N -1.90 4.07 -0.31 -4.83 -2.45 -1.26 -1.24 119.30 111.37 2kn9 s MET 75 Ca 0.20 0.36 -0.10 0.00 -1.25 0.00 0.00 55.69 54.90 2kn9 s MET 75 Cb -0.11 -3.66 -0.01 0.00 1.25 0.00 0.00 34.83 32.31 2kn9 s MET 75 CO 0.11 -0.38 0.16 0.08 1.05 0.00 0.00 175.02 176.05 2kn9 s VAL 76 N 2.36 4.65 0.31 10.11 1.01 0.19 -5.00 120.40 134.03 2kn9 s VAL 76 Ca 0.22 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.56 2kn9 s VAL 76 Cb -0.16 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.75 2kn9 s VAL 76 CO 0.09 0.06 0.87 -1.61 0.00 0.00 0.00 175.10 174.51 2kn9 s GLU 77 N 1.62 4.42 0.53 2.72 0.41 -1.26 -1.38 118.70 125.76 2kn9 s GLU 77 Ca 0.05 1.14 -0.20 0.00 -0.41 0.00 0.00 54.97 55.55 2kn9 s GLU 77 Cb -0.17 -2.73 -0.06 0.00 -1.78 0.00 0.00 34.13 29.39 2kn9 s GLU 77 CO 0.07 0.27 1.11 0.14 -0.49 0.00 0.00 175.26 176.36 2kn9 s VAL 78 N -1.68 3.27 -0.67 2.63 -7.23 -1.26 -4.94 120.40 110.53 2kn9 s VAL 78 Ca 0.50 0.80 -0.19 0.00 -1.81 0.00 0.00 61.98 61.27 2kn9 s VAL 78 Cb -0.16 -3.32 0.11 0.00 0.56 0.00 0.00 36.38 33.56 2kn9 s VAL 78 CO 0.21 -0.17 0.81 0.00 -0.31 0.00 0.00 175.10 175.65 2kn9 s ALA 79 N -1.80 3.40 -0.07 1.32 0.00 0.32 -4.94 121.76 119.99 2kn9 s ALA 79 Ca 0.72 -2.31 -0.33 0.00 0.00 0.00 0.00 51.96 50.03 2kn9 s ALA 79 Cb -0.23 -3.66 -0.11 0.00 0.00 0.00 0.00 23.12 19.12 2kn9 s ALA 79 CO 0.26 -2.51 1.90 0.54 0.00 0.00 0.00 175.76 175.95 2kn9 n ARG 80 N 6.44 2.30 0.00 0.00 1.74 -1.19 -4.35 116.66 121.60 2kn9 n ARG 80 Ca -0.02 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.90 2kn9 n ARG 80 Cb 0.44 -2.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.17 2kn9 n ARG 80 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56