#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 -1.81 -0.30 3.17 0.00 -1.26 -5.13 121.76 116.43 2kn9 s ALA 2 Ca 0.00 2.26 0.02 0.00 0.00 0.00 0.00 51.96 54.24 2kn9 s ALA 2 Cb 0.00 -1.33 0.09 0.00 0.00 0.00 0.00 23.12 21.88 2kn9 s ALA 2 CO 0.00 -0.36 0.01 -1.01 0.00 0.00 0.00 175.76 174.40 2kn9 s HIS 3 N 1.23 3.02 -0.03 0.00 4.02 -1.26 -5.10 115.29 117.17 2kn9 s HIS 3 Ca -0.07 -2.41 -0.15 0.00 1.02 0.00 0.00 55.06 53.45 2kn9 s HIS 3 Cb -0.05 -2.28 -0.05 0.00 -1.02 0.00 0.00 32.58 29.18 2kn9 s HIS 3 CO -0.13 -0.89 0.41 -1.58 1.02 0.00 0.00 174.74 173.57 2kn9 s HIS 4 N 1.17 3.67 -0.12 1.40 5.65 -1.26 -5.08 115.29 120.72 2kn9 s HIS 4 Ca 0.04 0.95 0.02 0.00 0.25 0.00 0.00 55.06 56.33 2kn9 s HIS 4 Cb -0.19 -2.34 0.01 0.00 -1.18 0.00 0.00 32.58 28.88 2kn9 s HIS 4 CO -0.10 0.53 -0.18 -1.58 -0.65 0.00 0.00 174.74 172.76 2kn9 s HIS 5 N -0.68 2.29 -0.03 3.88 2.46 -1.26 -5.10 115.29 116.85 2kn9 s HIS 5 Ca 0.24 -1.12 -0.00 0.00 0.47 0.00 0.00 55.06 54.64 2kn9 s HIS 5 Cb -0.16 -1.60 0.03 0.00 -0.13 0.00 0.00 32.58 30.71 2kn9 s HIS 5 CO 0.12 -0.54 0.02 -3.38 -2.47 0.00 0.00 174.74 168.49 2kn9 s HIS 6 N 0.92 0.21 -0.41 3.88 0.00 -1.26 -5.09 115.29 113.53 2kn9 s HIS 6 Ca -0.07 0.08 0.04 0.00 -3.00 0.00 0.00 55.06 52.12 2kn9 s HIS 6 Cb -0.15 -0.41 0.17 0.00 -4.00 0.00 0.00 32.58 28.18 2kn9 s HIS 6 CO -0.02 -0.15 0.45 -1.58 -1.00 0.00 0.00 174.74 172.44 2kn9 s HIS 7 N 1.38 -0.35 -0.47 0.38 5.04 -1.26 -5.11 115.29 114.90 2kn9 s HIS 7 Ca -0.05 -1.01 -0.29 0.00 -1.54 0.00 0.00 55.06 52.17 2kn9 s HIS 7 Cb -0.13 -0.33 0.02 0.00 0.04 0.00 0.00 32.58 32.18 2kn9 s HIS 7 CO -0.03 -1.01 1.31 -1.58 -2.34 0.00 0.00 174.74 171.09 2kn9 s HIS 8 N 1.08 2.53 -0.01 3.88 5.65 -1.26 -4.87 115.29 122.30 2kn9 s HIS 8 Ca 0.22 0.64 -0.21 0.00 0.25 0.00 0.00 55.06 55.96 2kn9 s HIS 8 Cb -0.08 -4.39 -0.22 0.00 -1.18 0.00 0.00 32.58 26.71 2kn9 s HIS 8 CO -0.06 -1.72 1.11 0.52 -0.65 0.00 0.00 174.74 173.94 2kn9 h MET 9 N 10.19 0.34 0.00 2.88 0.00 -2.07 -3.47 114.93 122.80 2kn9 h MET 9 Ca -0.26 -0.33 0.00 0.00 0.00 0.00 0.00 59.70 59.11 2kn9 h MET 9 Cb 1.08 0.09 0.00 0.00 0.00 0.00 0.00 31.60 32.77 2kn9 h MET 9 CO 1.12 1.01 0.00 0.41 0.00 0.00 0.00 176.91 179.45 2kn9 n GLY 10 N 0.96 2.14 3.19 8.32 0.00 -1.26 -4.90 105.19 113.64 2kn9 n GLY 10 Ca -0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 2kn9 n GLY 10 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kn9 n THR 11 N 0.00 -6.36 -1.84 2.61 -2.24 -1.26 -5.01 114.28 100.18 2kn9 n THR 11 Ca 0.00 0.57 -0.17 0.00 -2.27 0.00 0.00 64.05 62.18 2kn9 n THR 11 Cb 0.00 -4.81 0.11 0.00 -2.10 0.00 0.00 70.33 63.53 2kn9 n THR 11 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kn9 n LEU 12 N 0.15 0.00 -4.68 3.22 4.77 -1.26 -5.01 117.00 114.20 2kn9 n LEU 12 Ca -0.01 -1.01 -0.43 0.00 -0.03 0.00 0.00 56.01 54.54 2kn9 n LEU 12 Cb 0.52 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 2kn9 n LEU 12 CO 0.42 -0.99 0.87 -0.70 -1.33 0.00 0.00 177.39 175.66 2kn9 s GLU 13 N -4.55 4.35 0.54 3.23 -6.30 -1.26 -4.92 118.70 109.80 2kn9 s GLU 13 Ca 0.44 1.43 0.23 0.00 -2.50 0.00 0.00 54.97 54.57 2kn9 s GLU 13 Cb -0.02 -3.59 1.42 0.00 0.00 0.00 0.00 34.13 31.94 2kn9 s GLU 13 CO 0.30 -0.45 2.07 0.00 0.02 0.00 0.00 175.26 177.20 2kn9 h ALA 14 N 7.31 2.19 0.00 6.30 0.00 -2.03 -3.22 119.26 129.81 2kn9 h ALA 14 Ca -0.27 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 2kn9 h ALA 14 Cb 1.12 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2kn9 h ALA 14 CO 0.90 -0.37 -1.29 1.04 0.00 0.00 0.00 179.25 179.54 2kn9 n GLN 15 N -4.30 0.12 -2.31 0.00 1.13 -1.26 -5.02 117.38 105.74 2kn9 n GLN 15 Ca 0.04 0.04 -0.12 0.00 -1.94 0.00 0.00 57.00 55.01 2kn9 n GLN 15 Cb 0.38 -0.95 -0.00 0.00 0.11 0.00 0.00 30.24 29.78 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 -2.86 -0.67 -3.96 5.09 -1.04 -1.22 -5.00 114.28 104.61 2kn9 n THR 16 Ca -0.09 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.57 2kn9 n THR 16 Cb 0.59 -2.01 -0.14 0.00 -1.82 0.00 0.00 70.33 66.94 2kn9 n THR 16 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2kn9 s GLN 17 N -4.70 3.18 0.32 -2.82 0.74 -1.26 -5.11 119.66 110.01 2kn9 s GLN 17 Ca 0.03 -0.74 0.01 0.00 0.05 0.00 0.00 55.36 54.71 2kn9 s GLN 17 Cb -0.01 -2.91 0.06 0.00 1.10 0.00 0.00 33.01 31.24 2kn9 s GLN 17 CO 0.04 -0.24 0.44 0.41 -0.55 0.00 0.00 175.29 175.38 2kn9 n GLY 18 N 4.73 1.03 0.17 2.59 0.00 -1.26 -5.05 105.19 107.41 2kn9 n GLY 18 Ca -0.18 -2.04 -0.12 0.00 0.00 0.00 0.00 46.02 43.67 2kn9 n GLY 18 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kn9 h PRO 19 N 0.00 -0.33 0.00 1.61 0.11 -1.98 -3.50 132.00 127.90 2kn9 h PRO 19 Ca -0.15 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2kn9 h PRO 19 Cb 0.57 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.76 2kn9 h PRO 19 CO 0.17 0.02 0.00 0.41 -0.21 0.00 0.00 178.00 178.39 2kn9 n GLY 20 N 0.01 0.04 2.98 -0.55 0.00 -1.26 -5.06 105.19 101.35 2kn9 n GLY 20 Ca -0.09 -1.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.01 2kn9 n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kn9 s SER 21 N -4.00 0.67 -0.01 1.61 0.15 -1.21 -4.44 113.70 106.46 2kn9 s SER 21 Ca 0.00 -0.18 -0.02 0.00 0.70 0.00 0.00 55.95 56.45 2kn9 s SER 21 Cb 0.00 -0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.26 2kn9 s SER 21 CO 0.00 0.01 -0.03 0.23 1.20 0.00 0.00 173.24 174.65 2kn9 n MET 22 N 2.66 0.04 -3.30 5.44 2.81 -1.26 -4.73 117.12 118.78 2kn9 n MET 22 Ca -0.15 0.02 -0.35 0.00 -1.81 0.00 0.00 57.70 55.41 2kn9 n MET 22 Cb 0.57 -0.39 -0.04 0.00 -0.71 0.00 0.00 33.22 32.66 2kn9 n MET 22 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2kn9 n ASN 23 N -2.74 4.85 -3.39 7.83 3.02 -1.26 -4.87 115.26 118.70 2kn9 n ASN 23 Ca -0.01 -3.38 -0.11 0.00 -0.03 0.00 0.00 54.58 51.04 2kn9 n ASN 23 Cb 0.04 -0.96 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 2kn9 n ASN 23 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2kn9 n ASP 24 N 1.28 -6.45 -4.67 6.41 2.03 -1.26 -5.00 116.55 108.89 2kn9 n ASP 24 Ca 0.27 -0.47 -0.31 0.00 0.52 0.00 0.00 54.79 54.79 2kn9 n ASP 24 Cb 0.37 -3.64 -0.09 0.00 -0.72 0.00 0.00 41.12 37.05 2kn9 n ASP 24 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2kn9 s TYR 25 N -2.98 3.00 0.31 -0.67 2.02 -1.26 -5.10 117.35 112.67 2kn9 s TYR 25 Ca 0.01 0.01 0.07 0.00 -0.37 0.00 0.00 57.07 56.79 2kn9 s TYR 25 Cb -0.00 -1.60 -0.03 0.00 -0.40 0.00 0.00 41.96 39.93 2kn9 s TYR 25 CO 0.82 0.45 0.29 0.15 -1.57 0.00 0.00 175.55 175.69 2kn9 s LYS 26 N -1.87 2.86 -0.10 -0.62 3.01 -1.26 -4.38 119.74 117.38 2kn9 s LYS 26 Ca 0.22 -1.16 -0.00 0.00 -1.01 0.00 0.00 55.97 54.01 2kn9 s LYS 26 Cb -0.12 -2.56 -0.03 0.00 -1.01 0.00 0.00 37.83 34.12 2kn9 s LYS 26 CO 0.13 0.20 -0.08 -1.17 0.51 0.00 0.00 175.35 174.94 2kn9 s LEU 27 N -3.97 3.05 -0.18 3.17 0.20 -0.30 -1.42 118.68 119.23 2kn9 s LEU 27 Ca 0.39 -0.13 0.01 0.00 0.69 0.00 0.00 54.13 55.09 2kn9 s LEU 27 Cb -0.07 -1.68 0.02 0.00 -0.43 0.00 0.00 46.19 44.03 2kn9 s LEU 27 CO 0.27 0.27 -0.18 -0.36 -0.29 0.00 0.00 176.35 176.06 2kn9 s PHE 28 N -0.28 2.65 -0.17 5.38 0.40 0.18 0.98 117.98 127.12 2kn9 s PHE 28 Ca 0.03 -1.57 -0.06 0.00 -0.60 0.00 0.00 56.93 54.73 2kn9 s PHE 28 Cb -0.13 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 2kn9 s PHE 28 CO 0.03 -0.78 0.04 0.50 0.70 0.00 0.00 175.22 175.71 2kn9 s ARG 29 N 1.33 3.86 -0.00 0.44 3.52 -0.22 -0.12 118.95 127.77 2kn9 s ARG 29 Ca 0.05 -0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 54.97 2kn9 s ARG 29 Cb -0.13 -3.14 -0.06 0.00 -1.56 0.00 0.00 34.95 30.06 2kn9 s ARG 29 CO -0.12 0.30 1.47 0.00 -0.81 0.00 0.00 175.30 176.14 2kn9 n ILE 31 N 4.80 0.00 0.29 0.00 -5.35 0.11 -0.59 119.36 118.62 2kn9 n ILE 31 Ca 0.14 -0.03 0.12 0.00 -0.27 0.00 0.00 62.75 62.71 2kn9 n ILE 31 Cb 0.43 -0.20 0.07 0.00 -1.74 0.00 0.00 39.64 38.20 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 0.27 0.00 0.00 6.28 1.08 -1.91 -3.43 115.11 117.41 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 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 2kn9 h GLN 32 CO 0.00 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.88 2kn9 n GLY 34 N 1.32 0.33 3.61 0.00 0.00 0.24 -5.05 105.19 105.64 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 -1.11 1.41 -0.26 1.61 5.36 -1.24 -4.67 117.98 119.08 2kn9 s PHE 35 Ca 0.00 0.47 -0.14 0.00 -0.96 0.00 0.00 56.93 56.30 2kn9 s PHE 35 Cb 0.00 -4.01 -0.04 0.00 -0.34 0.00 0.00 43.02 38.62 2kn9 s PHE 35 CO 0.00 -3.85 0.31 -1.21 -1.46 0.00 0.00 175.22 169.01 2kn9 s GLU 36 N 5.86 4.03 -0.21 10.12 2.02 -1.26 0.02 118.70 139.28 2kn9 s GLU 36 Ca 0.92 -0.06 -0.03 0.00 0.02 0.00 0.00 54.97 55.82 2kn9 s GLU 36 Cb -0.31 -3.62 -0.00 0.00 0.10 0.00 0.00 34.13 30.30 2kn9 s GLU 36 CO 0.35 -0.18 -0.06 -0.47 0.02 0.00 0.00 175.26 174.92 2kn9 s TYR 37 N 1.76 2.93 -0.06 1.61 5.04 0.83 -4.94 117.35 124.53 2kn9 s TYR 37 Ca 0.13 -1.03 -0.20 0.00 -2.44 0.00 0.00 57.07 53.53 2kn9 s TYR 37 Cb -0.15 -2.08 -0.05 0.00 0.35 0.00 0.00 41.96 40.03 2kn9 s TYR 37 CO 0.09 -0.58 0.57 -0.51 -1.34 0.00 0.00 175.55 173.78 2kn9 s ASP 38 N 1.45 6.88 0.38 4.32 1.11 -1.26 0.52 116.67 130.05 2kn9 s ASP 38 Ca 0.06 1.05 0.06 0.00 0.18 0.00 0.00 52.55 53.89 2kn9 s ASP 38 Cb -0.14 -2.35 0.76 0.00 1.07 0.00 0.00 42.92 42.27 2kn9 s ASP 38 CO -0.05 0.03 2.01 -0.33 1.18 0.00 0.00 175.17 178.01 2kn9 h GLU 39 N 6.22 0.68 0.00 8.23 5.08 -1.53 -1.04 114.58 132.22 2kn9 h GLU 39 Ca -0.43 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 57.82 2kn9 h GLU 39 Cb 1.19 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2kn9 h GLU 39 CO 0.73 0.45 -0.34 0.00 -1.00 0.00 0.00 179.01 178.85 2kn9 h ALA 40 N 1.65 1.08 0.03 3.43 0.00 -1.81 0.70 119.26 124.34 2kn9 h ALA 40 Ca 0.23 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2kn9 h ALA 40 Cb 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kn9 h ALA 40 CO -0.06 0.42 -0.47 1.25 0.00 0.00 0.00 179.25 180.38 2kn9 h LEU 41 N 0.00 0.09 0.00 0.00 5.85 -1.64 -3.32 115.31 116.29 2kn9 h LEU 41 Ca -0.00 -0.88 0.00 0.00 0.84 0.00 0.00 57.88 57.84 2kn9 h LEU 41 Cb 0.79 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2kn9 h LEU 41 CO 0.04 1.20 0.00 0.61 -0.34 0.00 0.00 178.44 179.95 2kn9 n GLY 42 N 1.59 -1.92 2.67 3.75 0.00 -0.47 -4.04 105.19 106.77 2kn9 n GLY 42 Ca -0.16 -1.37 -0.17 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.18 0.40 1.61 -0.11 0.39 -4.84 118.94 116.21 2kn9 s TRP 43 Ca 0.00 -1.16 0.32 0.00 1.22 0.00 0.00 56.10 56.48 2kn9 s TRP 43 Cb 0.00 -0.41 1.61 0.00 -1.50 0.00 0.00 33.47 33.17 2kn9 s TRP 43 CO 0.00 -0.99 2.11 -1.35 -4.62 0.00 0.00 176.95 172.10 2kn9 h PRO 44 N 6.36 0.00 -0.47 5.86 0.11 -1.84 0.13 132.00 142.15 2kn9 h PRO 44 Ca 0.11 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.25 2kn9 h PRO 44 Cb 1.03 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 2kn9 h PRO 44 CO 0.21 0.08 0.26 0.93 -0.21 0.00 0.00 178.00 179.27 2kn9 h GLU 45 N 0.00 0.51 0.00 1.05 4.39 -1.94 -2.79 114.58 115.80 2kn9 h GLU 45 Ca -0.00 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 2kn9 h GLU 45 Cb 0.31 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2kn9 h GLU 45 CO 0.01 0.34 -0.96 0.22 -1.16 0.00 0.00 179.01 177.45 2kn9 h ASP 46 N 0.52 0.00 0.00 1.42 3.58 -1.83 -3.47 116.42 116.65 2kn9 h ASP 46 Ca 0.19 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.64 2kn9 h ASP 46 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2kn9 h ASP 46 CO -0.11 0.22 0.00 0.61 -2.88 0.00 0.00 179.24 177.08 2kn9 n GLY 47 N 1.24 1.27 3.61 -0.78 0.00 -0.57 -5.09 105.19 104.87 2kn9 n GLY 47 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 4.53 0.50 -0.61 -1.09 0.36 -4.90 121.20 117.98 2kn9 s ILE 48 Ca 0.00 1.36 -0.19 0.00 -2.23 0.00 0.00 60.65 59.59 2kn9 s ILE 48 Cb 0.00 -4.38 -0.08 0.00 -1.58 0.00 0.00 42.46 36.42 2kn9 s ILE 48 CO 0.00 -0.55 1.03 0.00 -1.23 0.00 0.00 174.94 174.18 2kn9 s ALA 49 N 3.60 2.88 -0.05 9.38 0.00 -1.26 -0.46 121.76 135.85 2kn9 s ALA 49 Ca 0.41 0.53 -0.29 0.00 0.00 0.00 0.00 51.96 52.60 2kn9 s ALA 49 Cb -0.12 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 2kn9 s ALA 49 CO 0.19 -0.33 1.92 0.00 0.00 0.00 0.00 175.76 177.53 2kn9 s ALA 50 N -2.11 3.40 0.00 0.00 0.00 -1.26 -1.19 121.76 120.60 2kn9 s ALA 50 Ca 0.66 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.68 2kn9 s ALA 50 Cb -0.15 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.10 2kn9 s ALA 50 CO 0.22 -1.80 0.00 0.41 0.00 0.00 0.00 175.76 174.59 2kn9 n GLY 51 N 4.70 0.67 3.66 0.00 0.00 0.24 -4.94 105.19 109.53 2kn9 n GLY 51 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 3.50 0.57 2.61 2.01 -0.33 -4.92 115.64 117.07 2kn9 s THR 52 Ca 0.00 0.65 -0.16 0.00 0.31 0.00 0.00 61.69 62.49 2kn9 s THR 52 Cb 0.00 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 2kn9 s THR 52 CO 0.00 -0.05 1.03 -0.13 -0.69 0.00 0.00 174.62 174.78 2kn9 s ARG 53 N 3.88 3.57 0.62 4.92 1.81 -1.26 -4.73 118.95 127.76 2kn9 s ARG 53 Ca 0.74 1.08 0.35 0.00 -1.72 0.00 0.00 55.73 56.18 2kn9 s ARG 53 Cb -0.35 -2.07 2.02 0.00 -0.45 0.00 0.00 34.95 34.10 2kn9 s ARG 53 CO 0.31 -0.60 2.26 2.35 -0.68 0.00 0.00 175.30 178.94 2kn9 h TRP 54 N 0.55 0.00 -0.01 -0.53 2.91 -1.93 0.14 115.95 117.08 2kn9 h TRP 54 Ca -0.47 0.00 -0.16 0.00 1.13 0.00 0.00 58.89 59.40 2kn9 h TRP 54 Cb 1.20 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.84 2kn9 h TRP 54 CO 0.61 0.00 -0.73 -0.44 -1.03 0.00 0.00 178.44 176.85 2kn9 h ASP 55 N 0.00 0.08 0.68 2.65 3.32 -2.01 -3.23 116.42 117.91 2kn9 h ASP 55 Ca 0.01 -0.06 -0.26 0.00 0.02 0.00 0.00 57.03 56.74 2kn9 h ASP 55 Cb 0.10 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 2kn9 h ASP 55 CO -0.00 0.78 -1.41 0.44 -1.72 0.00 0.00 179.24 177.33 2kn9 h ASP 56 N 0.04 0.06 -2.59 6.45 3.32 -1.37 -3.46 116.42 118.87 2kn9 h ASP 56 Ca -0.01 -0.09 -0.52 0.00 0.02 0.00 0.00 57.03 56.42 2kn9 h ASP 56 Cb 1.29 -0.02 0.04 0.00 0.22 0.00 0.00 39.33 40.86 2kn9 h ASP 56 CO 0.10 1.08 1.07 -0.63 -1.72 0.00 0.00 179.24 179.13 2kn9 s ILE 57 N -2.64 2.47 0.03 0.35 1.01 -0.67 -4.88 121.20 116.87 2kn9 s ILE 57 Ca -0.03 0.11 -0.38 0.00 0.00 0.00 0.00 60.65 60.34 2kn9 s ILE 57 Cb 0.09 -3.07 -0.18 0.00 0.01 0.00 0.00 42.46 39.31 2kn9 s ILE 57 CO 0.83 0.00 1.27 -2.65 0.00 0.00 0.00 174.94 174.39 2kn9 n PRO 58 N 5.19 0.73 0.00 2.79 -0.02 -1.26 -4.82 135.00 137.62 2kn9 n PRO 58 Ca 0.17 0.26 0.09 0.00 -2.02 0.00 0.00 63.50 62.01 2kn9 n PRO 58 Cb 0.38 -1.86 0.52 0.00 -0.02 0.00 0.00 33.50 32.52 2kn9 n PRO 58 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2kn9 n ASP 59 N 2.32 0.00 -0.85 2.55 8.00 -1.26 -0.91 116.55 126.40 2kn9 n ASP 59 Ca 0.20 -0.25 0.10 0.00 0.71 0.00 0.00 54.79 55.54 2kn9 n ASP 59 Cb 0.15 -0.16 0.11 0.00 -0.02 0.00 0.00 41.12 41.19 2kn9 n ASP 59 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2kn9 n ASP 60 N -1.16 2.80 -4.70 -2.24 5.75 -1.26 -4.61 116.55 111.12 2kn9 n ASP 60 Ca 0.11 -1.86 -0.42 0.00 -0.01 0.00 0.00 54.79 52.61 2kn9 n ASP 60 Cb 0.11 -0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.13 2kn9 n ASP 60 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 2kn9 s TRP 61 N -1.60 2.76 0.10 2.11 -0.00 -0.08 -4.77 118.94 117.45 2kn9 s TRP 61 Ca 0.26 0.50 0.05 0.00 -0.00 0.00 0.00 56.10 56.91 2kn9 s TRP 61 Cb 0.17 -3.93 -0.04 0.00 -0.00 0.00 0.00 33.47 29.68 2kn9 s TRP 61 CO 0.26 -3.57 -0.01 -1.12 -0.00 0.00 0.00 176.95 172.51 2kn9 s SER 62 N 1.76 4.94 0.01 5.86 0.01 -1.26 -1.47 113.70 123.55 2kn9 s SER 62 Ca 0.72 -0.21 -0.31 0.00 1.31 0.00 0.00 55.95 57.45 2kn9 s SER 62 Cb -0.41 -1.14 -0.10 0.00 0.21 0.00 0.00 66.02 64.58 2kn9 s SER 62 CO 0.32 0.17 1.95 0.00 0.41 0.00 0.00 173.24 176.08 2kn9 n PRO 64 N 7.25 0.02 -0.10 0.00 -0.02 -1.26 0.66 135.00 141.55 2kn9 n PRO 64 Ca 0.20 0.35 -0.11 0.00 -2.02 0.00 0.00 63.50 61.92 2kn9 n PRO 64 Cb 0.38 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.21 2kn9 n PRO 64 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2kn9 n ASP 65 N -1.38 0.46 0.00 2.55 5.75 -1.26 -4.74 116.55 117.93 2kn9 n ASP 65 Ca 0.01 0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 2kn9 n ASP 65 Cb 0.02 0.62 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 2kn9 n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kn9 n GLY 67 N 0.27 0.51 3.74 0.00 0.00 0.21 -4.97 105.19 104.95 2kn9 n GLY 67 Ca 0.00 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.99 2.38 0.79 4.61 0.00 -1.25 -4.54 121.76 121.76 2kn9 s ALA 68 Ca 0.00 0.94 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 2kn9 s ALA 68 Cb 0.00 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 19.73 2kn9 s ALA 68 CO 0.00 -1.46 1.12 0.00 0.00 0.00 0.00 175.76 175.42 2kn9 s ALA 69 N -1.78 2.39 0.34 0.00 0.00 -1.26 0.75 121.76 122.20 2kn9 s ALA 69 Ca 0.76 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.38 2kn9 s ALA 69 Cb -0.30 -3.05 0.60 0.00 0.00 0.00 0.00 23.12 20.37 2kn9 s ALA 69 CO 0.39 -1.66 2.00 -0.22 0.00 0.00 0.00 175.76 176.27 2kn9 h LYS 70 N -1.04 0.88 0.00 0.00 3.64 -1.51 -0.21 116.57 118.33 2kn9 h LYS 70 Ca -0.47 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2kn9 h LYS 70 Cb 1.28 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2kn9 h LYS 70 CO 0.62 0.58 0.00 0.45 -2.27 0.00 0.00 179.45 178.83 2kn9 n SER 71 N -4.43 0.40 -0.30 4.20 2.88 -1.26 -1.24 113.62 113.86 2kn9 n SER 71 Ca 0.07 0.63 0.12 0.00 -1.33 0.00 0.00 58.87 58.36 2kn9 n SER 71 Cb 0.04 -0.70 0.54 0.00 -0.75 0.00 0.00 64.21 63.34 2kn9 n SER 71 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kn9 n ASP 72 N -1.98 0.92 -4.86 -3.46 8.00 -0.09 -4.80 116.55 110.27 2kn9 n ASP 72 Ca 0.01 -1.48 -0.36 0.00 0.71 0.00 0.00 54.79 53.67 2kn9 n ASP 72 Cb 0.13 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 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 -1.92 3.62 0.06 1.24 0.40 -0.37 0.05 117.98 121.05 2kn9 s PHE 73 Ca 0.35 0.77 0.06 0.00 -0.60 0.00 0.00 56.93 57.50 2kn9 s PHE 73 Cb 0.18 -2.14 -0.04 0.00 0.51 0.00 0.00 43.02 41.53 2kn9 s PHE 73 CO 0.28 0.59 -0.09 -1.83 0.70 0.00 0.00 175.22 174.87 2kn9 s GLU 74 N -1.57 2.30 -0.39 0.44 -1.05 0.13 -4.85 118.70 113.72 2kn9 s GLU 74 Ca 0.28 -0.90 -0.26 0.00 -0.15 0.00 0.00 54.97 53.93 2kn9 s GLU 74 Cb -0.14 -2.38 0.02 0.00 -0.44 0.00 0.00 34.13 31.19 2kn9 s GLU 74 CO 0.15 0.55 0.95 1.41 0.95 0.00 0.00 175.26 179.27 2kn9 s MET 75 N -1.85 3.81 -0.29 -4.83 -2.45 -1.26 -1.06 119.30 111.37 2kn9 s MET 75 Ca 0.19 0.55 -0.07 0.00 -1.25 0.00 0.00 55.69 55.12 2kn9 s MET 75 Cb -0.11 -3.82 0.00 0.00 1.25 0.00 0.00 34.83 32.15 2kn9 s MET 75 CO 0.11 -1.02 0.08 0.08 1.05 0.00 0.00 175.02 175.32 2kn9 s VAL 76 N 3.61 4.06 0.17 10.11 1.01 0.27 -5.00 120.40 134.62 2kn9 s VAL 76 Ca 0.39 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 2kn9 s VAL 76 Cb -0.11 -3.05 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 2kn9 s VAL 76 CO 0.21 0.13 1.32 -1.83 0.00 0.00 0.00 175.10 174.93 2kn9 s GLU 77 N 1.53 4.37 -0.33 2.72 -1.05 -1.26 -1.15 118.70 123.53 2kn9 s GLU 77 Ca 0.04 2.04 -0.19 0.00 -0.15 0.00 0.00 54.97 56.70 2kn9 s GLU 77 Cb -0.17 -3.22 -0.01 0.00 -0.44 0.00 0.00 34.13 30.30 2kn9 s GLU 77 CO 0.03 -0.31 0.58 0.08 0.95 0.00 0.00 175.26 176.59 2kn9 s VAL 78 N 0.46 4.97 -0.96 1.83 1.01 -1.26 -4.90 120.40 121.55 2kn9 s VAL 78 Ca 0.59 0.60 0.17 0.00 0.00 0.00 0.00 61.98 63.34 2kn9 s VAL 78 Cb -0.36 -3.99 0.75 0.00 0.00 0.00 0.00 36.38 32.78 2kn9 s VAL 78 CO 0.35 -0.19 1.66 0.00 0.00 0.00 0.00 175.10 176.92 2kn9 n ALA 79 N 5.84 3.28 -3.44 5.51 0.00 -1.26 -4.74 120.51 125.70 2kn9 n ALA 79 Ca -0.03 -1.65 -0.42 0.00 0.00 0.00 0.00 53.44 51.34 2kn9 n ALA 79 Cb 0.49 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 2kn9 n ALA 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2kn9 s ARG 80 N -2.05 3.83 0.00 0.00 3.52 -1.26 -5.13 118.95 117.86 2kn9 s ARG 80 Ca 0.52 -3.17 0.00 0.00 -0.13 0.00 0.00 55.73 52.95 2kn9 s ARG 80 Cb 0.35 -4.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.40 2kn9 s ARG 80 CO 0.23 -1.25 0.00 0.43 -0.81 0.00 0.00 175.30 173.90