#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 3.45 -0.03 3.17 0.00 -1.26 -4.91 121.76 122.19 2kn9 s ALA 2 Ca 0.00 0.97 0.04 0.00 0.00 0.00 0.00 51.96 52.97 2kn9 s ALA 2 Cb 0.00 -3.44 0.06 0.00 0.00 0.00 0.00 23.12 19.74 2kn9 s ALA 2 CO 0.00 -0.43 0.89 -2.39 0.00 0.00 0.00 175.76 173.82 2kn9 n HIS 3 N 3.01 0.00 -2.37 0.00 1.44 -1.26 -5.07 115.22 110.97 2kn9 n HIS 3 Ca 0.06 -0.33 -0.38 0.00 -2.01 0.00 0.00 57.72 55.07 2kn9 n HIS 3 Cb 0.45 -0.06 -0.03 0.00 0.12 0.00 0.00 29.99 30.47 2kn9 n HIS 3 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kn9 s HIS 4 N -0.84 3.16 0.03 -1.40 -3.43 -1.26 -5.05 115.29 106.49 2kn9 s HIS 4 Ca 0.07 1.59 0.00 0.00 -0.80 0.00 0.00 55.06 55.92 2kn9 s HIS 4 Cb 0.06 -3.32 -0.02 0.00 -1.43 0.00 0.00 32.58 27.87 2kn9 s HIS 4 CO 0.01 -1.09 -0.04 -1.01 -2.00 0.00 0.00 174.74 170.61 2kn9 s HIS 5 N -1.45 0.36 0.02 0.38 3.76 -1.26 -5.16 115.29 111.94 2kn9 s HIS 5 Ca 0.56 -0.61 0.02 0.00 -0.15 0.00 0.00 55.06 54.89 2kn9 s HIS 5 Cb -0.29 -0.25 -0.04 0.00 1.11 0.00 0.00 32.58 33.12 2kn9 s HIS 5 CO 0.36 -0.20 0.00 -1.01 -0.85 0.00 0.00 174.74 173.04 2kn9 s HIS 6 N -1.83 3.07 0.08 1.40 3.76 -1.26 -5.12 115.29 115.38 2kn9 s HIS 6 Ca -0.11 0.06 0.04 0.00 -0.15 0.00 0.00 55.06 54.90 2kn9 s HIS 6 Cb -0.07 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 31.93 2kn9 s HIS 6 CO -0.02 0.47 0.02 -1.01 -0.85 0.00 0.00 174.74 173.35 2kn9 s HIS 7 N -1.14 3.06 0.12 1.40 3.76 -1.26 -5.09 115.29 116.15 2kn9 s HIS 7 Ca 0.21 0.02 -0.30 0.00 -0.15 0.00 0.00 55.06 54.83 2kn9 s HIS 7 Cb -0.12 -1.57 -0.07 0.00 1.11 0.00 0.00 32.58 31.93 2kn9 s HIS 7 CO 0.12 0.49 1.12 -1.01 -0.85 0.00 0.00 174.74 174.61 2kn9 s HIS 8 N -1.32 3.55 -0.59 1.40 3.76 -1.26 -4.92 115.29 115.91 2kn9 s HIS 8 Ca 0.26 1.51 0.26 0.00 -0.15 0.00 0.00 55.06 56.94 2kn9 s HIS 8 Cb -0.12 -3.31 0.83 0.00 1.11 0.00 0.00 32.58 31.10 2kn9 s HIS 8 CO 0.19 -0.77 1.75 0.52 -0.85 0.00 0.00 174.74 175.58 2kn9 h MET 9 N 5.82 0.00 0.00 1.40 2.86 -2.08 -3.49 114.93 119.45 2kn9 h MET 9 Ca -0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 2kn9 h MET 9 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 2kn9 h MET 9 CO 0.75 0.00 0.00 0.41 1.06 0.00 0.00 176.91 179.13 2kn9 n GLY 10 N 0.90 1.04 3.34 8.32 0.00 -1.26 -4.88 105.19 112.64 2kn9 n GLY 10 Ca 0.04 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 2kn9 n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kn9 s THR 11 N 0.00 3.29 -0.35 2.61 -4.23 -1.26 -5.08 115.64 110.63 2kn9 s THR 11 Ca 0.00 -0.54 -0.10 0.00 -1.18 0.00 0.00 61.69 59.87 2kn9 s THR 11 Cb 0.00 -2.46 0.01 0.00 1.34 0.00 0.00 72.50 71.39 2kn9 s THR 11 CO 0.00 0.46 0.19 -1.48 -0.54 0.00 0.00 174.62 173.25 2kn9 s LEU 12 N 1.09 4.47 -0.87 4.79 2.34 -1.26 -5.03 118.68 124.21 2kn9 s LEU 12 Ca 0.01 -0.79 -0.25 0.00 0.06 0.00 0.00 54.13 53.16 2kn9 s LEU 12 Cb -0.15 -2.02 0.02 0.00 -0.56 0.00 0.00 46.19 43.48 2kn9 s LEU 12 CO -0.01 -0.31 1.55 -1.61 -1.06 0.00 0.00 176.35 174.91 2kn9 s GLU 13 N 1.58 3.16 0.00 1.48 2.02 -1.26 -4.77 118.70 120.91 2kn9 s GLU 13 Ca 0.03 -0.49 0.25 0.00 0.02 0.00 0.00 54.97 54.77 2kn9 s GLU 13 Cb -0.18 -4.85 0.42 0.00 0.10 0.00 0.00 34.13 29.61 2kn9 s GLU 13 CO 0.07 -2.48 1.35 0.00 0.02 0.00 0.00 175.26 174.21 2kn9 n ALA 14 N 10.49 3.56 -0.31 5.21 0.00 -1.26 -4.50 120.51 133.70 2kn9 n ALA 14 Ca 0.24 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2kn9 n ALA 14 Cb 0.50 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.98 0.00 -3.49 0.00 1.13 -1.26 -4.95 117.38 107.82 2kn9 n GLN 15 Ca 0.08 0.34 -0.19 0.00 -1.94 0.00 0.00 57.00 55.29 2kn9 n GLN 15 Cb 0.36 -1.09 0.08 0.00 0.11 0.00 0.00 30.24 29.70 2kn9 n GLN 15 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2kn9 n THR 16 N -1.53 -5.17 -2.75 5.09 -1.04 -1.26 -4.96 114.28 102.65 2kn9 n THR 16 Ca 0.00 -0.38 -0.41 0.00 -2.04 0.00 0.00 64.05 61.22 2kn9 n THR 16 Cb 0.00 -4.67 -0.05 0.00 -1.82 0.00 0.00 70.33 63.79 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 -5.63 4.73 0.00 -2.82 -0.21 -1.26 -4.97 119.66 109.50 2kn9 s GLN 17 Ca 0.14 1.43 0.00 0.00 0.02 0.00 0.00 55.36 56.96 2kn9 s GLN 17 Cb -0.06 -3.35 0.00 0.00 1.00 0.00 0.00 33.01 30.60 2kn9 s GLN 17 CO 0.74 0.31 0.00 0.41 -2.12 0.00 0.00 175.29 174.62 2kn9 n GLY 18 N 2.04 -0.95 3.71 3.09 0.00 -1.26 -5.14 105.19 106.68 2kn9 n GLY 18 Ca 0.01 0.78 -0.42 0.00 0.00 0.00 0.00 46.02 46.39 2kn9 n GLY 18 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kn9 s PRO 19 N 0.00 4.53 -0.62 1.61 0.02 -1.26 -4.97 135.00 134.30 2kn9 s PRO 19 Ca 0.00 1.54 -0.26 0.00 0.02 0.00 0.00 61.00 62.29 2kn9 s PRO 19 Cb 0.00 -3.42 -0.02 0.00 0.02 0.00 0.00 34.50 31.08 2kn9 s PRO 19 CO 0.00 -0.10 1.85 0.20 -0.33 0.00 0.00 177.00 178.63 2kn9 s GLY 20 N 0.94 0.21 -1.32 0.52 0.00 -1.26 -4.89 107.32 101.51 2kn9 s GLY 20 Ca 0.54 -0.69 -0.15 0.00 0.00 0.00 0.00 44.72 44.42 2kn9 s GLY 20 CO 0.29 3.41 1.84 1.44 0.00 0.00 0.00 173.10 180.07 2kn9 n SER 21 N 12.73 4.72 0.05 1.64 7.64 -1.26 -4.60 113.62 134.54 2kn9 n SER 21 Ca 0.21 -2.94 -0.02 0.00 1.01 0.00 0.00 58.87 57.13 2kn9 n SER 21 Cb 0.52 -1.65 -0.08 0.00 -1.01 0.00 0.00 64.21 61.99 2kn9 n SER 21 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2kn9 h MET 22 N 6.76 0.00 -6.41 1.43 4.05 -2.01 -3.46 114.93 115.29 2kn9 h MET 22 Ca 0.45 0.00 -0.62 0.00 -0.28 0.00 0.00 59.70 59.25 2kn9 h MET 22 Cb 0.77 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.43 2kn9 h MET 22 CO 1.56 0.44 -0.72 1.21 0.23 0.00 0.00 176.91 179.64 2kn9 s ASN 23 N -6.07 4.28 -0.92 1.39 3.84 -1.26 -5.05 114.94 111.16 2kn9 s ASN 23 Ca -0.01 -0.59 -0.24 0.00 0.21 0.00 0.00 52.86 52.23 2kn9 s ASN 23 Cb 0.08 -0.73 -0.01 0.00 -0.55 0.00 0.00 41.25 40.04 2kn9 s ASN 23 CO 0.80 0.09 1.77 -0.62 -2.79 0.00 0.00 177.10 176.36 2kn9 s ASP 24 N -2.91 5.59 0.32 -4.21 2.15 -1.26 -4.95 116.67 111.40 2kn9 s ASP 24 Ca 0.26 -0.84 0.05 0.00 0.43 0.00 0.00 52.55 52.45 2kn9 s ASP 24 Cb -0.09 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 39.96 2kn9 s ASP 24 CO 0.16 -2.32 0.46 -0.31 -0.17 0.00 0.00 175.17 172.99 2kn9 s TYR 25 N 8.35 3.25 0.35 -5.34 2.02 -1.26 -5.11 117.35 119.60 2kn9 s TYR 25 Ca 0.62 -0.09 0.08 0.00 -0.37 0.00 0.00 57.07 57.31 2kn9 s TYR 25 Cb -0.05 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.57 2kn9 s TYR 25 CO -0.02 0.10 0.13 0.15 -1.57 0.00 0.00 175.55 174.34 2kn9 s LYS 26 N -4.16 2.32 -0.03 -0.62 -0.14 -1.26 -4.64 119.74 111.21 2kn9 s LYS 26 Ca 0.42 -1.60 -0.00 0.00 -1.36 0.00 0.00 55.97 53.42 2kn9 s LYS 26 Cb -0.09 -2.13 -0.04 0.00 -1.68 0.00 0.00 37.83 33.89 2kn9 s LYS 26 CO 0.31 0.08 0.02 -0.51 -0.76 0.00 0.00 175.35 174.50 2kn9 s LEU 27 N -3.84 3.62 -0.19 3.17 1.43 -0.35 -1.48 118.68 121.05 2kn9 s LEU 27 Ca 0.38 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.55 2kn9 s LEU 27 Cb -0.02 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.25 2kn9 s LEU 27 CO 0.22 0.31 -0.04 -0.36 0.23 0.00 0.00 176.35 176.72 2kn9 s PHE 28 N -1.04 1.76 -0.17 0.29 0.40 0.16 0.81 117.98 120.18 2kn9 s PHE 28 Ca 0.18 -1.21 -0.03 0.00 -0.60 0.00 0.00 56.93 55.27 2kn9 s PHE 28 Cb -0.12 -1.33 -0.02 0.00 0.51 0.00 0.00 43.02 42.06 2kn9 s PHE 28 CO 0.08 -0.65 -0.05 0.50 0.70 0.00 0.00 175.22 175.80 2kn9 s ARG 29 N 1.61 3.55 0.16 0.44 3.52 -0.27 0.42 118.95 128.39 2kn9 s ARG 29 Ca -0.01 -0.57 -0.31 0.00 -0.13 0.00 0.00 55.73 54.71 2kn9 s ARG 29 Cb -0.16 -2.92 -0.09 0.00 -1.56 0.00 0.00 34.95 30.22 2kn9 s ARG 29 CO -0.07 0.10 1.37 0.00 -0.81 0.00 0.00 175.30 175.89 2kn9 n ILE 31 N 3.26 0.00 0.11 0.00 -5.35 0.16 -0.90 119.36 116.64 2kn9 n ILE 31 Ca 0.09 -0.04 0.05 0.00 -0.27 0.00 0.00 62.75 62.59 2kn9 n ILE 31 Cb 0.42 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 2kn9 n ILE 31 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2kn9 h GLN 32 N 0.35 0.00 0.00 6.28 1.08 -1.91 -3.43 115.11 117.48 2kn9 h GLN 32 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2kn9 h GLN 32 Cb 0.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 2kn9 h GLN 32 CO 0.00 0.23 0.00 0.00 -0.95 0.00 0.00 178.83 178.11 2kn9 n GLY 34 N 1.18 1.53 3.62 0.00 0.00 -0.08 -5.05 105.19 106.40 2kn9 n GLY 34 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2kn9 n GLY 34 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kn9 s PHE 35 N -2.00 1.46 -0.32 1.61 5.36 -1.25 -4.69 117.98 118.15 2kn9 s PHE 35 Ca 0.00 0.28 -0.12 0.00 -0.96 0.00 0.00 56.93 56.13 2kn9 s PHE 35 Cb 0.00 -4.04 -0.03 0.00 -0.34 0.00 0.00 43.02 38.61 2kn9 s PHE 35 CO 0.00 -4.13 0.23 -1.21 -1.46 0.00 0.00 175.22 168.64 2kn9 s GLU 36 N 5.42 3.66 -0.19 10.12 2.02 -1.26 0.01 118.70 138.49 2kn9 s GLU 36 Ca 0.89 -0.52 -0.09 0.00 0.02 0.00 0.00 54.97 55.27 2kn9 s GLU 36 Cb -0.33 -3.75 -0.05 0.00 0.10 0.00 0.00 34.13 30.10 2kn9 s GLU 36 CO 0.35 -0.35 0.12 -0.47 0.02 0.00 0.00 175.26 174.93 2kn9 s TYR 37 N 1.74 3.41 -0.21 1.61 5.04 0.17 -4.93 117.35 124.18 2kn9 s TYR 37 Ca 0.07 0.31 -0.06 0.00 -2.44 0.00 0.00 57.07 54.95 2kn9 s TYR 37 Cb -0.17 -2.11 -0.03 0.00 0.35 0.00 0.00 41.96 40.00 2kn9 s TYR 37 CO 0.11 0.33 0.03 0.34 -1.34 0.00 0.00 175.55 175.02 2kn9 s ASP 38 N 0.17 5.11 0.52 4.32 -1.08 -1.26 0.39 116.67 124.84 2kn9 s ASP 38 Ca 0.08 -0.13 0.25 0.00 -0.52 0.00 0.00 52.55 52.23 2kn9 s ASP 38 Cb -0.11 -1.89 1.42 0.00 -1.46 0.00 0.00 42.92 40.88 2kn9 s ASP 38 CO -0.01 0.07 2.09 -0.33 0.52 0.00 0.00 175.17 177.51 2kn9 h GLU 39 N 7.48 0.00 0.00 4.34 5.08 -1.55 0.94 114.58 130.87 2kn9 h GLU 39 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2kn9 h GLU 39 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kn9 h GLU 39 CO 0.62 0.11 -0.50 0.00 -1.00 0.00 0.00 179.01 178.24 2kn9 h ALA 40 N 1.89 0.71 0.08 3.43 0.00 -1.87 0.23 119.26 123.73 2kn9 h ALA 40 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 2kn9 h ALA 40 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2kn9 h ALA 40 CO 0.01 0.00 -1.85 -0.11 0.00 0.00 0.00 179.25 177.30 2kn9 n LEU 41 N -2.51 2.42 0.00 0.00 7.94 -0.64 -4.11 117.00 120.10 2kn9 n LEU 41 Ca 0.03 0.25 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 2kn9 n LEU 41 Cb 0.49 -1.05 0.00 0.00 0.53 0.00 0.00 43.42 43.39 2kn9 n LEU 41 CO 0.36 0.69 0.00 0.61 -1.11 0.00 0.00 177.39 177.94 2kn9 n GLY 42 N 1.83 -1.91 2.65 -3.96 0.00 0.23 -4.06 105.19 99.96 2kn9 n GLY 42 Ca -0.34 -1.38 -0.18 0.00 0.00 0.00 0.00 46.02 44.13 2kn9 n GLY 42 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kn9 s TRP 43 N 0.00 -0.11 -0.09 1.61 -0.11 0.63 -4.74 118.94 116.13 2kn9 s TRP 43 Ca 0.00 -1.25 0.30 0.00 1.22 0.00 0.00 56.10 56.37 2kn9 s TRP 43 Cb 0.00 -0.43 1.30 0.00 -1.50 0.00 0.00 33.47 32.84 2kn9 s TRP 43 CO 0.00 -0.98 1.90 -1.35 -4.62 0.00 0.00 176.95 171.89 2kn9 h PRO 44 N 6.25 0.00 -0.30 5.86 0.11 -1.84 0.08 132.00 142.16 2kn9 h PRO 44 Ca 0.12 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 2kn9 h PRO 44 Cb 1.02 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 2kn9 h PRO 44 CO 0.21 0.00 -0.06 0.93 -0.21 0.00 0.00 178.00 178.87 2kn9 h GLU 45 N 0.00 0.48 0.00 1.05 4.39 -1.95 -2.92 114.58 115.63 2kn9 h GLU 45 Ca 0.00 -0.11 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 2kn9 h GLU 45 Cb 0.38 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2kn9 h GLU 45 CO 0.00 0.55 -1.77 -3.47 -1.16 0.00 0.00 179.01 173.16 2kn9 n ASP 46 N -4.25 0.31 0.00 1.42 -0.08 -0.82 -4.97 116.55 108.16 2kn9 n ASP 46 Ca 0.01 0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2kn9 n ASP 46 Cb 0.28 1.22 0.00 0.00 2.34 0.00 0.00 41.12 44.96 2kn9 n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kn9 n GLY 47 N 1.35 0.96 3.63 0.27 0.00 -0.80 -5.08 105.19 105.52 2kn9 n GLY 47 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.00 3.89 0.43 -0.61 -1.09 -0.05 -4.88 121.20 116.89 2kn9 s ILE 48 Ca 0.00 1.00 -0.19 0.00 -2.23 0.00 0.00 60.65 59.23 2kn9 s ILE 48 Cb 0.00 -3.94 -0.10 0.00 -1.58 0.00 0.00 42.46 36.84 2kn9 s ILE 48 CO 0.00 -0.41 0.91 0.00 -1.23 0.00 0.00 174.94 174.21 2kn9 s ALA 49 N 4.93 3.11 0.01 9.38 0.00 -1.26 -0.27 121.76 137.66 2kn9 s ALA 49 Ca 0.64 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 2kn9 s ALA 49 Cb -0.20 -3.06 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 2kn9 s ALA 49 CO 0.27 0.09 1.98 0.00 0.00 0.00 0.00 175.76 178.10 2kn9 s ALA 50 N -2.23 3.51 0.00 0.00 0.00 -1.26 -1.11 121.76 120.67 2kn9 s ALA 50 Ca 0.60 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.83 2kn9 s ALA 50 Cb -0.09 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.16 2kn9 s ALA 50 CO 0.18 -1.67 0.00 0.41 0.00 0.00 0.00 175.76 174.68 2kn9 n GLY 51 N 4.63 0.67 3.69 0.00 0.00 0.07 -4.94 105.19 109.30 2kn9 n GLY 51 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 3.99 0.53 2.61 2.01 -0.26 -4.96 115.64 117.56 2kn9 s THR 52 Ca 0.00 1.34 -0.13 0.00 0.31 0.00 0.00 61.69 63.21 2kn9 s THR 52 Cb 0.00 -3.86 -0.06 0.00 0.01 0.00 0.00 72.50 68.59 2kn9 s THR 52 CO 0.00 -0.01 0.95 -0.13 -0.69 0.00 0.00 174.62 174.75 2kn9 s ARG 53 N 2.36 3.77 0.56 4.92 1.81 -1.26 -4.73 118.95 126.37 2kn9 s ARG 53 Ca 0.60 0.75 0.25 0.00 -1.72 0.00 0.00 55.73 55.61 2kn9 s ARG 53 Cb -0.28 -2.17 1.52 0.00 -0.45 0.00 0.00 34.95 33.57 2kn9 s ARG 53 CO 0.24 -0.34 2.09 2.35 -0.68 0.00 0.00 175.30 178.96 2kn9 h TRP 54 N 0.47 0.00 -0.03 -0.53 2.91 -1.95 0.29 115.95 117.10 2kn9 h TRP 54 Ca -0.46 0.00 -0.13 0.00 1.13 0.00 0.00 58.89 59.43 2kn9 h TRP 54 Cb 1.19 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.82 2kn9 h TRP 54 CO 0.64 0.00 -0.59 -0.44 -1.03 0.00 0.00 178.44 177.02 2kn9 h ASP 55 N 0.00 0.11 1.56 2.65 5.19 -2.01 -3.04 116.42 120.87 2kn9 h ASP 55 Ca 0.11 -0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.42 2kn9 h ASP 55 Cb 0.52 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 2kn9 h ASP 55 CO -0.00 0.67 -0.45 -0.78 -3.12 0.00 0.00 179.24 175.56 2kn9 h ASP 56 N 0.07 0.00 -2.89 6.45 3.58 -1.33 -3.45 116.42 118.86 2kn9 h ASP 56 Ca -0.01 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.90 2kn9 h ASP 56 Cb 1.06 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 2kn9 h ASP 56 CO 0.08 0.16 0.86 -0.63 -2.88 0.00 0.00 179.24 176.83 2kn9 s ILE 57 N -3.17 3.79 0.35 2.25 1.01 -0.83 -4.96 121.20 119.65 2kn9 s ILE 57 Ca 0.04 1.13 -0.26 0.00 0.00 0.00 0.00 60.65 61.56 2kn9 s ILE 57 Cb 0.07 -3.73 -0.12 0.00 0.01 0.00 0.00 42.46 38.69 2kn9 s ILE 57 CO 0.73 -0.02 1.01 -2.65 0.00 0.00 0.00 174.94 174.00 2kn9 n PRO 58 N 5.68 1.39 0.25 2.79 -0.02 -1.26 -4.88 135.00 138.94 2kn9 n PRO 58 Ca 0.13 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 62.20 2kn9 n PRO 58 Cb 0.44 -1.95 0.63 0.00 -0.02 0.00 0.00 33.50 32.60 2kn9 n PRO 58 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2kn9 h ASP 59 N 1.81 0.00 -0.02 2.55 3.58 -1.93 -0.71 116.42 121.69 2kn9 h ASP 59 Ca -0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.03 2kn9 h ASP 59 Cb 1.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.39 2kn9 h ASP 59 CO 0.59 0.15 0.00 0.47 -2.88 0.00 0.00 179.24 177.57 2kn9 n ASP 60 N -3.92 0.52 -4.74 2.28 9.92 -1.26 -4.76 116.55 114.60 2kn9 n ASP 60 Ca -0.02 -1.29 -0.41 0.00 -0.53 0.00 0.00 54.79 52.54 2kn9 n ASP 60 Cb 0.25 -0.01 -0.04 0.00 -0.64 0.00 0.00 41.12 40.68 2kn9 n ASP 60 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2kn9 s TRP 61 N -1.98 3.55 0.24 1.24 -0.00 -0.28 -5.04 118.94 116.68 2kn9 s TRP 61 Ca 0.39 1.55 0.11 0.00 -0.00 0.00 0.00 56.10 58.15 2kn9 s TRP 61 Cb 0.19 -3.31 -0.05 0.00 -0.00 0.00 0.00 33.47 30.30 2kn9 s TRP 61 CO 0.31 -0.76 -0.17 -1.54 -0.00 0.00 0.00 176.95 174.80 2kn9 s SER 62 N 0.04 3.79 -0.18 5.86 1.04 -1.26 -4.15 113.70 118.83 2kn9 s SER 62 Ca 0.51 -0.86 -0.32 0.00 0.48 0.00 0.00 55.95 55.76 2kn9 s SER 62 Cb -0.30 -0.43 -0.09 0.00 0.10 0.00 0.00 66.02 65.30 2kn9 s SER 62 CO 0.35 0.07 2.09 0.00 0.98 0.00 0.00 173.24 176.72 2kn9 n PRO 64 N 7.88 0.12 0.10 0.00 -0.02 -1.26 0.11 135.00 141.92 2kn9 n PRO 64 Ca 0.29 0.60 -0.20 0.00 -2.02 0.00 0.00 63.50 62.18 2kn9 n PRO 64 Cb 0.35 -1.88 -0.15 0.00 -0.02 0.00 0.00 33.50 31.80 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 0.58 0.00 2.55 3.58 -1.98 -3.43 116.42 117.73 2kn9 h ASP 65 Ca 0.00 -0.72 0.00 0.00 0.42 0.00 0.00 57.03 56.73 2kn9 h ASP 65 Cb 0.02 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.88 2kn9 h ASP 65 CO 0.00 1.59 0.00 0.00 -2.88 0.00 0.00 179.24 177.95 2kn9 n GLY 67 N 0.00 0.62 3.76 0.00 0.00 0.30 -4.99 105.19 104.88 2kn9 n GLY 67 Ca 0.00 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.00 2.35 0.78 4.61 0.00 -1.25 -4.56 121.76 121.69 2kn9 s ALA 68 Ca 0.00 0.53 -0.09 0.00 0.00 0.00 0.00 51.96 52.40 2kn9 s ALA 68 Cb 0.00 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.89 2kn9 s ALA 68 CO 0.00 -1.49 1.11 0.00 0.00 0.00 0.00 175.76 175.38 2kn9 s ALA 69 N -2.42 2.91 0.40 0.00 0.00 -1.26 0.23 121.76 121.61 2kn9 s ALA 69 Ca 0.67 -1.01 0.09 0.00 0.00 0.00 0.00 51.96 51.71 2kn9 s ALA 69 Cb -0.21 -2.65 0.82 0.00 0.00 0.00 0.00 23.12 21.08 2kn9 s ALA 69 CO 0.45 -1.64 1.95 0.87 0.00 0.00 0.00 175.76 177.40 2kn9 h LYS 70 N -0.91 0.29 0.00 0.00 1.57 -1.86 -0.35 116.57 115.31 2kn9 h LYS 70 Ca -0.44 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2kn9 h LYS 70 Cb 1.30 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2kn9 h LYS 70 CO 0.55 0.36 0.00 -1.13 -0.57 0.00 0.00 179.45 178.66 2kn9 n SER 71 N -4.33 0.00 -0.71 0.86 3.41 -1.26 -1.05 113.62 110.53 2kn9 n SER 71 Ca -0.00 0.11 0.10 0.00 -0.26 0.00 0.00 58.87 58.82 2kn9 n SER 71 Cb 0.22 -0.31 0.30 0.00 -0.26 0.00 0.00 64.21 64.16 2kn9 n SER 71 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kn9 n ASP 72 N -1.31 2.13 -4.77 4.04 8.00 -0.14 -4.89 116.55 119.61 2kn9 n ASP 72 Ca 0.07 -1.82 -0.31 0.00 0.71 0.00 0.00 54.79 53.43 2kn9 n ASP 72 Cb 0.14 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.00 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 -1.66 3.21 0.04 1.24 0.40 -0.22 0.39 117.98 121.38 2kn9 s PHE 73 Ca 0.33 0.11 0.05 0.00 -0.60 0.00 0.00 56.93 56.82 2kn9 s PHE 73 Cb 0.18 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 2kn9 s PHE 73 CO 0.26 0.52 -0.10 -1.83 0.70 0.00 0.00 175.22 174.77 2kn9 s GLU 74 N -2.14 2.31 -0.46 0.44 -1.05 0.84 -4.88 118.70 113.76 2kn9 s GLU 74 Ca 0.27 -0.87 -0.24 0.00 -0.15 0.00 0.00 54.97 53.97 2kn9 s GLU 74 Cb -0.12 -2.37 0.03 0.00 -0.44 0.00 0.00 34.13 31.23 2kn9 s GLU 74 CO 0.19 0.56 0.84 1.41 0.95 0.00 0.00 175.26 179.21 2kn9 s MET 75 N -1.65 3.43 -0.24 -4.83 -2.45 -1.26 -1.11 119.30 111.19 2kn9 s MET 75 Ca 0.18 -0.05 -0.10 0.00 -1.25 0.00 0.00 55.69 54.47 2kn9 s MET 75 Cb -0.11 -3.95 -0.05 0.00 1.25 0.00 0.00 34.83 31.98 2kn9 s MET 75 CO 0.09 -1.18 0.15 0.08 1.05 0.00 0.00 175.02 175.21 2kn9 s VAL 76 N 3.48 5.30 0.47 10.11 1.01 0.24 -4.97 120.40 136.04 2kn9 s VAL 76 Ca 0.32 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.24 2kn9 s VAL 76 Cb -0.12 -3.47 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 2kn9 s VAL 76 CO 0.23 0.35 1.11 -1.83 0.00 0.00 0.00 175.10 174.96 2kn9 s GLU 77 N 1.02 3.76 -0.36 2.72 -1.05 -1.26 -1.21 118.70 122.33 2kn9 s GLU 77 Ca 0.07 1.60 -0.14 0.00 -0.15 0.00 0.00 54.97 56.35 2kn9 s GLU 77 Cb -0.13 -2.28 -0.01 0.00 -0.44 0.00 0.00 34.13 31.26 2kn9 s GLU 77 CO 0.04 -0.51 0.27 0.08 0.95 0.00 0.00 175.26 176.10 2kn9 s VAL 78 N -1.71 5.26 -0.30 1.83 1.01 -1.26 -4.87 120.40 120.37 2kn9 s VAL 78 Ca 0.65 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.36 2kn9 s VAL 78 Cb -0.24 -3.78 0.40 0.00 0.00 0.00 0.00 36.38 32.77 2kn9 s VAL 78 CO 0.28 -0.09 1.63 0.00 0.00 0.00 0.00 175.10 176.92 2kn9 n ALA 79 N 5.16 4.58 -1.83 5.51 0.00 -1.26 -4.68 120.51 127.99 2kn9 n ALA 79 Ca -0.12 -1.87 -0.41 0.00 0.00 0.00 0.00 53.44 51.05 2kn9 n ALA 79 Cb 0.49 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 2kn9 n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kn9 n ARG 80 N -0.47 3.81 0.00 0.00 1.74 -1.26 -5.31 116.66 115.17 2kn9 n ARG 80 Ca 0.38 -2.96 0.00 0.00 -0.77 0.00 0.00 57.85 54.50 2kn9 n ARG 80 Cb 1.16 -2.86 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 2kn9 n ARG 80 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98