#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 3.14 -0.09 -5.12 0.00 -1.26 -4.76 121.76 113.67 2kn9 s ALA 2 Ca 0.00 -1.04 0.17 0.00 0.00 0.00 0.00 51.96 51.09 2kn9 s ALA 2 Cb 0.00 -3.79 0.33 0.00 0.00 0.00 0.00 23.12 19.67 2kn9 s ALA 2 CO 0.00 -2.38 1.16 1.58 0.00 0.00 0.00 175.76 176.12 2kn9 n HIS 3 N 7.62 0.02 -2.05 0.00 -0.00 -1.26 -5.12 115.22 114.44 2kn9 n HIS 3 Ca 0.04 -0.95 -0.41 0.00 -0.00 0.00 0.00 57.72 56.40 2kn9 n HIS 3 Cb 0.48 0.19 -0.02 0.00 -0.00 0.00 0.00 29.99 30.63 2kn9 n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kn9 s HIS 4 N -0.72 3.03 -0.28 1.57 0.09 -1.26 -4.97 115.29 112.74 2kn9 s HIS 4 Ca 0.21 1.15 -0.18 0.00 -0.00 0.00 0.00 55.06 56.24 2kn9 s HIS 4 Cb 0.28 -3.77 -0.02 0.00 -0.00 0.00 0.00 32.58 29.07 2kn9 s HIS 4 CO -0.10 -2.41 0.52 -1.01 -0.00 0.00 0.00 174.74 171.74 2kn9 s HIS 5 N -0.34 3.24 -0.10 1.40 3.76 -1.26 -5.05 115.29 116.95 2kn9 s HIS 5 Ca 0.56 0.54 -0.03 0.00 -0.15 0.00 0.00 55.06 55.98 2kn9 s HIS 5 Cb -0.41 -2.77 -0.03 0.00 1.11 0.00 0.00 32.58 30.47 2kn9 s HIS 5 CO 0.46 -0.34 0.03 -3.38 -0.85 0.00 0.00 174.74 170.67 2kn9 s HIS 6 N 2.34 3.26 -0.07 1.40 -3.43 -1.26 -5.10 115.29 112.43 2kn9 s HIS 6 Ca 0.21 0.25 0.00 0.00 -0.80 0.00 0.00 55.06 54.72 2kn9 s HIS 6 Cb -0.16 -1.84 0.02 0.00 -1.43 0.00 0.00 32.58 29.18 2kn9 s HIS 6 CO 0.10 0.50 -0.05 -1.58 -2.00 0.00 0.00 174.74 171.71 2kn9 s HIS 7 N -0.82 0.98 -0.16 0.38 5.04 -1.26 -5.12 115.29 114.33 2kn9 s HIS 7 Ca 0.13 -0.36 -0.21 0.00 -1.54 0.00 0.00 55.06 53.08 2kn9 s HIS 7 Cb -0.12 -0.88 -0.03 0.00 0.04 0.00 0.00 32.58 31.59 2kn9 s HIS 7 CO 0.03 -0.31 0.62 -1.58 -2.34 0.00 0.00 174.74 171.15 2kn9 s HIS 8 N 1.36 3.44 -0.11 3.88 5.04 -1.26 -4.98 115.29 122.66 2kn9 s HIS 8 Ca -0.03 0.98 -0.26 0.00 -1.54 0.00 0.00 55.06 54.21 2kn9 s HIS 8 Cb -0.14 -2.75 -0.22 0.00 0.04 0.00 0.00 32.58 29.51 2kn9 s HIS 8 CO -0.03 -0.06 0.82 0.52 -2.34 0.00 0.00 174.74 173.65 2kn9 h MET 9 N 7.19 -0.02 0.00 2.88 0.00 -2.07 -3.49 114.93 119.42 2kn9 h MET 9 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.35 2kn9 h MET 9 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.76 2kn9 h MET 9 CO 0.77 0.77 0.00 0.41 0.00 0.00 0.00 176.91 178.86 2kn9 n GLY 10 N 1.28 4.39 3.00 8.32 0.00 -1.26 -5.15 105.19 115.76 2kn9 n GLY 10 Ca -0.09 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.15 0.77 -0.07 2.61 -4.23 -1.26 -5.15 115.64 107.17 2kn9 s THR 11 Ca 0.00 -0.35 -0.22 0.00 -1.18 0.00 0.00 61.69 59.94 2kn9 s THR 11 Cb 0.00 -0.69 0.05 0.00 1.34 0.00 0.00 72.50 73.20 2kn9 s THR 11 CO 0.00 0.24 0.49 -1.48 -0.54 0.00 0.00 174.62 173.34 2kn9 s LEU 12 N 0.21 0.10 -0.47 4.79 2.34 -1.26 -5.13 118.68 119.26 2kn9 s LEU 12 Ca -0.03 0.54 -0.20 0.00 0.06 0.00 0.00 54.13 54.50 2kn9 s LEU 12 Cb -0.09 1.85 0.04 0.00 -0.56 0.00 0.00 46.19 47.44 2kn9 s LEU 12 CO 0.00 -0.45 0.63 -1.61 -1.06 0.00 0.00 176.35 173.87 2kn9 s GLU 13 N -0.91 3.19 0.00 1.48 0.41 -1.26 -4.89 118.70 116.72 2kn9 s GLU 13 Ca -0.10 -0.65 0.25 0.00 -0.41 0.00 0.00 54.97 54.07 2kn9 s GLU 13 Cb -0.03 -4.03 0.45 0.00 -1.78 0.00 0.00 34.13 28.74 2kn9 s GLU 13 CO 0.06 -1.12 1.37 0.00 -0.49 0.00 0.00 175.26 175.08 2kn9 n ALA 14 N 6.22 3.47 0.07 5.21 0.00 -1.26 -4.53 120.51 129.69 2kn9 n ALA 14 Ca -0.04 -0.46 -0.12 0.00 0.00 0.00 0.00 53.44 52.82 2kn9 n ALA 14 Cb 0.47 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 2kn9 n ALA 14 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2kn9 h GLN 15 N 1.01 -0.17 -6.53 0.00 1.08 -2.08 -3.46 115.11 104.95 2kn9 h GLN 15 Ca 0.00 0.01 -0.51 0.00 -1.45 0.00 0.00 58.65 56.70 2kn9 h GLN 15 Cb 0.55 0.04 -0.10 0.00 -0.05 0.00 0.00 27.48 27.92 2kn9 h GLN 15 CO 0.00 -0.12 -0.84 0.25 -0.95 0.00 0.00 178.83 177.17 2kn9 n THR 16 N -5.21 -2.18 -2.90 -0.54 -2.24 -1.26 -4.93 114.28 95.02 2kn9 n THR 16 Ca -0.06 -0.22 -0.41 0.00 -2.27 0.00 0.00 64.05 61.09 2kn9 n THR 16 Cb 0.14 -2.39 -0.04 0.00 -2.10 0.00 0.00 70.33 65.94 2kn9 n THR 16 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2kn9 s GLN 17 N -6.68 4.44 0.00 -0.78 0.74 -1.26 -5.06 119.66 111.07 2kn9 s GLN 17 Ca 0.41 1.09 0.00 0.00 0.05 0.00 0.00 55.36 56.91 2kn9 s GLN 17 Cb -0.22 -3.48 0.00 0.00 1.10 0.00 0.00 33.01 30.41 2kn9 s GLN 17 CO 0.89 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.97 2kn9 n GLY 18 N 3.12 0.43 3.59 2.59 0.00 -1.26 -4.95 105.19 108.71 2kn9 n GLY 18 Ca 0.03 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 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 0.85 3.32 -1.29 1.61 0.02 -1.26 -4.91 135.00 133.34 2kn9 s PRO 19 Ca 0.00 1.14 -0.18 0.00 0.02 0.00 0.00 61.00 61.98 2kn9 s PRO 19 Cb 0.00 -4.17 0.02 0.00 0.02 0.00 0.00 34.50 30.37 2kn9 s PRO 19 CO 0.00 -1.88 1.94 0.41 -0.33 0.00 0.00 177.00 177.14 2kn9 n GLY 20 N 5.35 3.02 3.56 0.52 0.00 -1.26 -4.92 105.19 111.46 2kn9 n GLY 20 Ca 0.20 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 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 4.22 5.66 -0.06 1.61 0.15 -1.26 -4.83 113.70 119.19 2kn9 s SER 21 Ca 0.54 0.31 -0.19 0.00 0.70 0.00 0.00 55.95 57.31 2kn9 s SER 21 Cb 0.08 -2.54 -0.30 0.00 -1.71 0.00 0.00 66.02 61.55 2kn9 s SER 21 CO 0.03 -2.07 0.76 0.24 1.20 0.00 0.00 173.24 173.40 2kn9 h MET 22 N 13.12 0.30 -7.15 5.44 2.86 -1.99 -3.45 114.93 124.07 2kn9 h MET 22 Ca -0.27 -0.51 -0.49 0.00 -2.06 0.00 0.00 59.70 56.36 2kn9 h MET 22 Cb 1.13 0.19 0.05 0.00 0.06 0.00 0.00 31.60 33.03 2kn9 h MET 22 CO 1.20 1.25 0.24 1.21 1.06 0.00 0.00 176.91 181.87 2kn9 s ASN 23 N -7.06 6.04 -0.94 1.22 3.04 -1.26 -4.95 114.94 111.02 2kn9 s ASN 23 Ca -0.16 1.05 -0.24 0.00 0.04 0.00 0.00 52.86 53.55 2kn9 s ASN 23 Cb 0.03 -2.17 -0.00 0.00 -1.54 0.00 0.00 41.25 37.56 2kn9 s ASN 23 CO 0.82 -0.83 1.72 1.51 -3.04 0.00 0.00 177.10 177.27 2kn9 s ASP 24 N -4.19 5.74 0.29 -4.21 -4.77 -1.26 -4.92 116.67 103.34 2kn9 s ASP 24 Ca 0.52 -0.98 0.05 0.00 -3.30 0.00 0.00 52.55 48.83 2kn9 s ASP 24 Cb -0.11 -2.56 -0.06 0.00 -1.09 0.00 0.00 42.92 39.10 2kn9 s ASP 24 CO 0.48 -2.19 0.01 -0.31 0.70 0.00 0.00 175.17 173.85 2kn9 s TYR 25 N 7.81 1.85 0.18 2.11 2.02 -1.26 -5.07 117.35 124.99 2kn9 s TYR 25 Ca 0.59 -0.87 0.05 0.00 -0.37 0.00 0.00 57.07 56.48 2kn9 s TYR 25 Cb -0.04 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.35 2kn9 s TYR 25 CO -0.04 0.08 0.15 0.15 -1.57 0.00 0.00 175.55 174.31 2kn9 s LYS 26 N -3.83 2.90 -0.12 -0.62 3.01 -1.26 -2.86 119.74 116.96 2kn9 s LYS 26 Ca 0.32 -0.91 -0.00 0.00 -1.01 0.00 0.00 55.97 54.37 2kn9 s LYS 26 Cb 0.06 -2.63 -0.02 0.00 -1.01 0.00 0.00 37.83 34.24 2kn9 s LYS 26 CO 0.13 0.47 -0.12 -0.48 0.51 0.00 0.00 175.35 175.85 2kn9 s LEU 27 N -3.25 2.77 -0.38 3.17 0.05 0.10 -1.31 118.68 119.83 2kn9 s LEU 27 Ca 0.31 -0.29 -0.15 0.00 0.05 0.00 0.00 54.13 54.05 2kn9 s LEU 27 Cb -0.10 -1.62 0.00 0.00 -2.05 0.00 0.00 46.19 42.43 2kn9 s LEU 27 CO 0.24 0.19 0.35 -0.36 -0.55 0.00 0.00 176.35 176.22 2kn9 s PHE 28 N 0.22 3.21 -0.17 3.48 0.40 0.26 -0.13 117.98 125.25 2kn9 s PHE 28 Ca -0.08 -0.26 -0.08 0.00 -0.60 0.00 0.00 56.93 55.90 2kn9 s PHE 28 Cb -0.15 -2.69 -0.04 0.00 0.51 0.00 0.00 43.02 40.64 2kn9 s PHE 28 CO 0.05 -0.53 0.11 0.50 0.70 0.00 0.00 175.22 176.05 2kn9 s ARG 29 N 1.94 3.93 0.09 0.44 3.52 -0.22 -0.13 118.95 128.52 2kn9 s ARG 29 Ca 0.10 -0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 55.15 2kn9 s ARG 29 Cb -0.17 -3.29 -0.05 0.00 -1.56 0.00 0.00 34.95 29.87 2kn9 s ARG 29 CO 0.12 0.40 1.05 0.00 -0.81 0.00 0.00 175.30 176.06 2kn9 h ILE 31 N 4.27 0.00 0.00 0.00 3.07 -1.00 -0.96 117.51 122.89 2kn9 h ILE 31 Ca -0.42 -0.60 -0.16 0.00 1.55 0.00 0.00 64.86 65.22 2kn9 h ILE 31 Cb 1.21 1.34 -0.02 0.00 -0.27 0.00 0.00 36.82 39.08 2kn9 h ILE 31 CO 0.75 0.00 -0.78 1.56 -1.05 0.00 0.00 178.15 178.63 2kn9 h GLN 32 N 0.00 0.00 0.00 0.16 1.08 -1.93 -3.42 115.11 111.00 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 0.80 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 2kn9 h GLN 32 CO 0.00 0.78 -0.09 0.00 -0.95 0.00 0.00 178.83 178.56 2kn9 n GLY 34 N 1.67 0.82 3.62 0.00 0.00 -0.36 -5.05 105.19 105.87 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 -1.49 1.35 -0.37 1.61 5.36 -1.25 -4.63 117.98 118.55 2kn9 s PHE 35 Ca 0.00 0.34 -0.14 0.00 -0.96 0.00 0.00 56.93 56.18 2kn9 s PHE 35 Cb 0.00 -4.02 -0.00 0.00 -0.34 0.00 0.00 43.02 38.66 2kn9 s PHE 35 CO 0.00 -4.16 0.26 -1.21 -1.46 0.00 0.00 175.22 168.65 2kn9 s GLU 36 N 5.73 3.30 -0.49 10.12 2.02 -1.26 -0.08 118.70 138.05 2kn9 s GLU 36 Ca 0.93 -0.78 -0.18 0.00 0.02 0.00 0.00 54.97 54.96 2kn9 s GLU 36 Cb -0.33 -3.87 0.06 0.00 0.10 0.00 0.00 34.13 30.09 2kn9 s GLU 36 CO 0.36 -0.56 0.53 -0.47 0.02 0.00 0.00 175.26 175.14 2kn9 s TYR 37 N 1.71 3.13 -0.01 1.61 5.04 0.81 -4.88 117.35 124.76 2kn9 s TYR 37 Ca 0.06 -0.67 -0.20 0.00 -2.44 0.00 0.00 57.07 53.81 2kn9 s TYR 37 Cb -0.18 -3.37 -0.05 0.00 0.35 0.00 0.00 41.96 38.71 2kn9 s TYR 37 CO 0.10 -0.93 0.59 0.34 -1.34 0.00 0.00 175.55 174.32 2kn9 s ASP 38 N 2.61 6.96 0.44 4.32 2.15 -1.26 0.91 116.67 132.81 2kn9 s ASP 38 Ca 0.11 1.15 0.15 0.00 0.43 0.00 0.00 52.55 54.38 2kn9 s ASP 38 Cb -0.21 -2.36 0.99 0.00 -0.30 0.00 0.00 42.92 41.04 2kn9 s ASP 38 CO 0.10 0.10 1.98 -0.33 -0.17 0.00 0.00 175.17 176.85 2kn9 h GLU 39 N 5.67 0.00 0.04 4.34 5.08 -1.51 0.27 114.58 128.47 2kn9 h GLU 39 Ca -0.45 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.67 2kn9 h GLU 39 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2kn9 h GLU 39 CO 0.70 0.20 -1.11 0.00 -1.00 0.00 0.00 179.01 177.79 2kn9 h ALA 40 N 1.80 0.28 0.10 3.43 0.00 -1.90 0.31 119.26 123.29 2kn9 h ALA 40 Ca -0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 54.91 53.82 2kn9 h ALA 40 Cb 0.35 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.09 2kn9 h ALA 40 CO 0.03 1.17 -0.71 1.25 0.00 0.00 0.00 179.25 180.98 2kn9 h LEU 41 N 0.02 0.45 0.00 0.00 7.12 -1.87 -3.37 115.31 117.66 2kn9 h LEU 41 Ca -0.06 -0.91 0.00 0.00 0.13 0.00 0.00 57.88 57.04 2kn9 h LEU 41 Cb 1.85 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.83 2kn9 h LEU 41 CO 0.15 1.32 0.00 0.61 -0.13 0.00 0.00 178.44 180.40 2kn9 n GLY 42 N 1.52 -0.67 2.87 3.75 0.00 0.91 -4.31 105.19 109.26 2kn9 n GLY 42 Ca -0.13 -1.14 -0.07 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.12 0.41 1.61 -0.00 -0.02 -4.70 118.94 115.11 2kn9 s TRP 43 Ca 0.00 -0.53 0.25 0.00 -0.00 0.00 0.00 56.10 55.83 2kn9 s TRP 43 Cb 0.00 0.05 1.35 0.00 -0.00 0.00 0.00 33.47 34.88 2kn9 s TRP 43 CO 0.00 -1.14 2.04 -1.35 -0.00 0.00 0.00 176.95 176.50 2kn9 h PRO 44 N 6.13 0.00 -0.04 5.86 0.11 -1.85 0.47 132.00 142.68 2kn9 h PRO 44 Ca 0.08 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 2kn9 h PRO 44 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2kn9 h PRO 44 CO 0.11 0.14 -0.13 0.93 -0.21 0.00 0.00 178.00 178.84 2kn9 h GLU 45 N 0.00 0.06 0.00 1.05 3.07 -1.95 -2.16 114.58 114.65 2kn9 h GLU 45 Ca -0.00 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.77 2kn9 h GLU 45 Cb 0.36 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2kn9 h GLU 45 CO 0.02 0.20 -1.66 -3.47 -1.40 0.00 0.00 179.01 172.70 2kn9 n ASP 46 N -4.35 0.40 0.00 1.42 2.03 -0.93 -4.96 116.55 110.16 2kn9 n ASP 46 Ca -0.02 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2kn9 n ASP 46 Cb 0.22 1.08 0.00 0.00 -0.72 0.00 0.00 41.12 41.71 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 1.33 1.46 3.43 0.27 0.00 -0.81 -5.08 105.19 105.78 2kn9 n GLY 47 Ca -0.08 0.00 -0.44 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 4.84 0.49 -0.61 -1.09 0.11 -4.95 121.20 117.99 2kn9 s ILE 48 Ca 0.00 -0.62 -0.22 0.00 -2.23 0.00 0.00 60.65 57.58 2kn9 s ILE 48 Cb 0.00 -4.36 -0.07 0.00 -1.58 0.00 0.00 42.46 36.45 2kn9 s ILE 48 CO 0.00 -0.91 1.19 0.00 -1.23 0.00 0.00 174.94 173.99 2kn9 s ALA 49 N 2.69 2.90 -0.07 9.38 0.00 -1.26 -0.84 121.76 134.55 2kn9 s ALA 49 Ca 0.14 0.98 -0.33 0.00 0.00 0.00 0.00 51.96 52.75 2kn9 s ALA 49 Cb -0.20 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.39 2kn9 s ALA 49 CO 0.10 -0.79 1.90 0.00 0.00 0.00 0.00 175.76 176.97 2kn9 n ALA 50 N -0.71 1.01 0.00 0.00 0.00 -1.26 -1.06 120.51 118.48 2kn9 n ALA 50 Ca 0.09 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2kn9 n ALA 50 Cb 0.48 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.40 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 4.44 0.64 3.69 0.00 0.00 0.11 -4.98 105.19 109.10 2kn9 n GLY 51 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 3.68 0.60 2.61 2.01 -0.23 -4.99 115.64 117.32 2kn9 s THR 52 Ca 0.00 1.10 -0.09 0.00 0.31 0.00 0.00 61.69 63.01 2kn9 s THR 52 Cb 0.00 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 2kn9 s THR 52 CO 0.00 0.02 0.98 -0.13 -0.69 0.00 0.00 174.62 174.80 2kn9 s ARG 53 N 2.08 3.40 0.57 4.92 1.81 -1.26 -4.78 118.95 125.69 2kn9 s ARG 53 Ca 0.63 0.51 0.28 0.00 -1.72 0.00 0.00 55.73 55.43 2kn9 s ARG 53 Cb -0.32 -2.15 1.68 0.00 -0.45 0.00 0.00 34.95 33.71 2kn9 s ARG 53 CO 0.27 -0.58 2.21 2.35 -0.68 0.00 0.00 175.30 178.87 2kn9 h TRP 54 N -0.25 0.00 -0.22 -0.53 2.91 -1.95 -0.40 115.95 115.51 2kn9 h TRP 54 Ca -0.45 0.00 -0.15 0.00 1.13 0.00 0.00 58.89 59.42 2kn9 h TRP 54 Cb 1.21 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.85 2kn9 h TRP 54 CO 0.60 0.03 -0.47 -0.44 -1.03 0.00 0.00 178.44 177.13 2kn9 h ASP 55 N 0.00 0.63 0.70 2.65 3.32 -2.01 -3.13 116.42 118.58 2kn9 h ASP 55 Ca -0.00 -0.31 -0.15 0.00 0.02 0.00 0.00 57.03 56.59 2kn9 h ASP 55 Cb 0.07 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2kn9 h ASP 55 CO 0.00 1.00 -0.72 0.44 -1.72 0.00 0.00 179.24 178.25 2kn9 h ASP 56 N 0.46 0.02 -2.84 6.45 3.32 -1.46 -3.44 116.42 118.95 2kn9 h ASP 56 Ca 0.03 -0.02 -0.53 0.00 0.02 0.00 0.00 57.03 56.53 2kn9 h ASP 56 Cb 1.00 -0.01 0.02 0.00 0.22 0.00 0.00 39.33 40.56 2kn9 h ASP 56 CO 0.09 0.73 0.88 -0.63 -1.72 0.00 0.00 179.24 178.59 2kn9 s ILE 57 N -3.39 3.26 0.31 0.35 1.01 -0.86 -4.94 121.20 116.94 2kn9 s ILE 57 Ca -0.01 0.77 -0.28 0.00 0.00 0.00 0.00 60.65 61.13 2kn9 s ILE 57 Cb 0.12 -3.49 -0.13 0.00 0.01 0.00 0.00 42.46 38.96 2kn9 s ILE 57 CO 0.78 0.02 1.11 -0.81 0.00 0.00 0.00 174.94 176.04 2kn9 n PRO 58 N 5.02 1.63 0.27 2.79 -0.04 -1.26 -4.86 135.00 138.55 2kn9 n PRO 58 Ca 0.14 0.57 0.13 0.00 -0.04 0.00 0.00 63.50 64.30 2kn9 n PRO 58 Cb 0.42 -2.02 0.77 0.00 -0.04 0.00 0.00 33.50 32.63 2kn9 n PRO 58 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2kn9 h ASP 59 N 2.18 0.00 -0.12 3.54 3.58 -1.92 -0.79 116.42 122.90 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 1.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.37 2kn9 h ASP 59 CO 0.61 0.08 0.00 -0.67 -2.88 0.00 0.00 179.24 176.39 2kn9 n ASP 60 N -3.78 1.43 -4.73 2.28 2.03 -1.26 -4.80 116.55 107.73 2kn9 n ASP 60 Ca -0.02 -1.62 -0.42 0.00 0.52 0.00 0.00 54.79 53.25 2kn9 n ASP 60 Cb 0.19 -0.07 -0.03 0.00 -0.72 0.00 0.00 41.12 40.48 2kn9 n ASP 60 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 2kn9 s TRP 61 N -1.86 3.39 0.19 -0.67 -0.00 -0.30 -5.04 118.94 114.65 2kn9 s TRP 61 Ca 0.33 1.29 0.07 0.00 -0.00 0.00 0.00 56.10 57.80 2kn9 s TRP 61 Cb 0.18 -3.48 -0.04 0.00 -0.00 0.00 0.00 33.47 30.13 2kn9 s TRP 61 CO 0.27 -1.46 0.03 -1.54 -0.00 0.00 0.00 176.95 174.25 2kn9 s SER 62 N 0.63 4.88 -0.04 5.86 1.04 -1.26 -4.23 113.70 120.57 2kn9 s SER 62 Ca 0.57 -0.38 -0.29 0.00 0.48 0.00 0.00 55.95 56.33 2kn9 s SER 62 Cb -0.32 -1.07 -0.08 0.00 0.10 0.00 0.00 66.02 64.65 2kn9 s SER 62 CO 0.33 0.07 2.03 0.00 0.98 0.00 0.00 173.24 176.65 2kn9 h PRO 64 N 11.87 0.00 0.00 0.00 0.11 -1.96 0.93 132.00 142.95 2kn9 h PRO 64 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kn9 h PRO 64 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2kn9 h PRO 64 CO 0.95 0.00 -0.38 0.22 -0.21 0.00 0.00 178.00 178.58 2kn9 h ASP 65 N 0.00 0.00 0.00 -2.05 3.58 -1.98 -3.42 116.42 112.55 2kn9 h ASP 65 Ca 0.00 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2kn9 h ASP 65 Cb 0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2kn9 h ASP 65 CO 0.00 0.02 0.00 0.00 -2.88 0.00 0.00 179.24 176.38 2kn9 n GLY 67 N -0.27 0.91 3.75 0.00 0.00 0.32 -5.00 105.19 104.91 2kn9 n GLY 67 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 2.71 0.84 4.61 0.00 -1.25 -4.45 121.76 122.22 2kn9 s ALA 68 Ca 0.00 1.22 -0.07 0.00 0.00 0.00 0.00 51.96 53.12 2kn9 s ALA 68 Cb 0.00 -3.53 0.17 0.00 0.00 0.00 0.00 23.12 19.76 2kn9 s ALA 68 CO 0.00 -1.31 1.07 0.00 0.00 0.00 0.00 175.76 175.51 2kn9 n ALA 69 N -1.21 -0.50 0.24 0.00 0.00 -1.26 0.48 120.51 118.25 2kn9 n ALA 69 Ca 0.12 -1.74 0.07 0.00 0.00 0.00 0.00 53.44 51.89 2kn9 n ALA 69 Cb 0.47 0.14 0.59 0.00 0.00 0.00 0.00 19.45 20.65 2kn9 n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2kn9 h LYS 70 N 0.00 0.00 0.00 0.00 1.57 -1.87 -0.11 116.57 116.16 2kn9 h LYS 70 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2kn9 h LYS 70 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2kn9 h LYS 70 CO 0.31 0.10 0.00 -1.13 -0.57 0.00 0.00 179.45 178.16 2kn9 n SER 71 N -4.34 0.00 -1.08 0.86 3.41 -1.26 -1.15 113.62 110.07 2kn9 n SER 71 Ca -0.03 0.35 0.12 0.00 -0.26 0.00 0.00 58.87 59.06 2kn9 n SER 71 Cb 0.18 -0.42 0.19 0.00 -0.26 0.00 0.00 64.21 63.90 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 -1.42 3.27 -4.69 4.04 8.00 -0.05 -4.92 116.55 120.77 2kn9 n ASP 72 Ca 0.04 -1.98 -0.30 0.00 0.71 0.00 0.00 54.79 53.26 2kn9 n ASP 72 Cb 0.14 -0.17 -0.08 0.00 -0.02 0.00 0.00 41.12 40.99 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 2.99 0.06 1.24 0.40 -0.30 -0.30 117.98 120.41 2kn9 s PHE 73 Ca 0.36 -0.03 0.05 0.00 -0.60 0.00 0.00 56.93 56.70 2kn9 s PHE 73 Cb 0.22 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 42.19 2kn9 s PHE 73 CO 0.31 0.48 -0.13 -1.83 0.70 0.00 0.00 175.22 174.75 2kn9 s GLU 74 N -2.37 0.81 -0.37 0.44 -1.05 -0.25 -4.92 118.70 110.99 2kn9 s GLU 74 Ca 0.26 -0.87 -0.24 0.00 -0.15 0.00 0.00 54.97 53.97 2kn9 s GLU 74 Cb -0.12 -0.79 0.01 0.00 -0.44 0.00 0.00 34.13 32.79 2kn9 s GLU 74 CO 0.19 0.18 0.83 1.41 0.95 0.00 0.00 175.26 178.82 2kn9 s MET 75 N -1.55 3.76 -0.25 -4.83 -2.45 -1.26 -1.06 119.30 111.66 2kn9 s MET 75 Ca -0.02 0.37 0.02 0.00 -1.25 0.00 0.00 55.69 54.81 2kn9 s MET 75 Cb -0.09 -3.81 0.05 0.00 1.25 0.00 0.00 34.83 32.22 2kn9 s MET 75 CO 0.02 -0.90 -0.10 0.08 1.05 0.00 0.00 175.02 175.17 2kn9 s VAL 76 N 3.24 2.34 0.24 10.11 1.01 0.82 -4.98 120.40 133.18 2kn9 s VAL 76 Ca 0.33 -1.45 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 2kn9 s VAL 76 Cb -0.13 -2.30 -0.10 0.00 0.00 0.00 0.00 36.38 33.85 2kn9 s VAL 76 CO 0.18 0.06 1.38 -1.83 0.00 0.00 0.00 175.10 174.88 2kn9 s GLU 77 N 1.17 4.32 -0.20 2.72 -1.05 -1.26 0.03 118.70 124.42 2kn9 s GLU 77 Ca -0.06 2.21 -0.29 0.00 -0.15 0.00 0.00 54.97 56.68 2kn9 s GLU 77 Cb -0.19 -3.13 -0.02 0.00 -0.44 0.00 0.00 34.13 30.35 2kn9 s GLU 77 CO -0.05 -0.33 1.51 0.08 0.95 0.00 0.00 175.26 177.42 2kn9 s VAL 78 N -0.13 3.85 -1.88 1.83 1.01 -1.13 -4.85 120.40 119.10 2kn9 s VAL 78 Ca 0.57 0.97 0.32 0.00 0.00 0.00 0.00 61.98 63.84 2kn9 s VAL 78 Cb -0.40 -3.80 0.82 0.00 0.00 0.00 0.00 36.38 33.00 2kn9 s VAL 78 CO 0.43 -0.27 2.19 0.00 0.00 0.00 0.00 175.10 177.44 2kn9 n ALA 79 N 7.85 2.64 -3.90 5.51 0.00 -1.26 -4.90 120.51 126.44 2kn9 n ALA 79 Ca 0.17 -0.19 -0.25 0.00 0.00 0.00 0.00 53.44 53.17 2kn9 n ALA 79 Cb 0.45 -1.51 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.05 -3.51 0.00 0.00 1.74 -1.26 -5.23 116.66 107.35 2kn9 n ARG 80 Ca 0.22 0.44 0.07 0.00 -0.77 0.00 0.00 57.85 57.80 2kn9 n ARG 80 Cb 0.14 -4.62 0.39 0.00 -1.02 0.00 0.00 32.46 27.35 2kn9 n ARG 80 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54