#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 2.84 -0.51 3.17 0.00 -1.26 -5.06 121.76 120.94 2kn9 s ALA 2 Ca 0.00 -2.94 -0.16 0.00 0.00 0.00 0.00 51.96 48.86 2kn9 s ALA 2 Cb 0.00 -2.04 0.09 0.00 0.00 0.00 0.00 23.12 21.17 2kn9 s ALA 2 CO 0.00 -1.99 0.49 -1.58 0.00 0.00 0.00 175.76 172.67 2kn9 s HIS 3 N 0.08 3.20 -0.21 0.00 2.46 -1.26 -5.01 115.29 114.55 2kn9 s HIS 3 Ca 0.16 -1.00 -0.04 0.00 0.47 0.00 0.00 55.06 54.65 2kn9 s HIS 3 Cb -0.25 -3.50 0.10 0.00 -0.13 0.00 0.00 32.58 28.80 2kn9 s HIS 3 CO -0.01 -0.94 0.23 -3.38 -2.47 0.00 0.00 174.74 168.16 2kn9 s HIS 4 N 1.84 -0.28 0.00 3.88 0.00 -1.26 -5.14 115.29 114.33 2kn9 s HIS 4 Ca 0.06 0.15 0.00 0.00 -3.00 0.00 0.00 55.06 52.27 2kn9 s HIS 4 Cb -0.26 -0.39 0.00 0.00 -4.00 0.00 0.00 32.58 27.94 2kn9 s HIS 4 CO 0.06 -0.64 0.00 0.72 -1.00 0.00 0.00 174.74 173.88 2kn9 n HIS 5 N 5.32 0.00 -4.35 0.38 -0.00 -1.26 -5.17 115.22 110.13 2kn9 n HIS 5 Ca -0.05 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.45 2kn9 n HIS 5 Cb 0.49 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.37 2kn9 n HIS 5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kn9 s HIS 6 N -0.63 1.90 -0.27 4.41 3.76 -1.26 -5.13 115.29 118.07 2kn9 s HIS 6 Ca 0.00 -0.46 0.01 0.00 -0.15 0.00 0.00 55.06 54.46 2kn9 s HIS 6 Cb 0.00 -0.93 0.08 0.00 1.11 0.00 0.00 32.58 32.84 2kn9 s HIS 6 CO 0.00 0.38 0.02 -1.01 -0.85 0.00 0.00 174.74 173.28 2kn9 s HIS 7 N -2.10 2.30 -0.12 1.40 3.76 -1.26 -5.10 115.29 114.17 2kn9 s HIS 7 Ca 0.18 -1.89 -0.12 0.00 -0.15 0.00 0.00 55.06 53.07 2kn9 s HIS 7 Cb -0.06 -1.82 -0.05 0.00 1.11 0.00 0.00 32.58 31.77 2kn9 s HIS 7 CO 0.07 -0.82 0.27 -3.38 -0.85 0.00 0.00 174.74 170.03 2kn9 s HIS 8 N 1.42 3.54 -1.13 1.40 -3.43 -1.26 -4.98 115.29 110.85 2kn9 s HIS 8 Ca 0.03 0.64 0.28 0.00 -0.80 0.00 0.00 55.06 55.21 2kn9 s HIS 8 Cb -0.18 -2.23 1.09 0.00 -1.43 0.00 0.00 32.58 29.82 2kn9 s HIS 8 CO -0.13 0.43 1.81 0.00 -2.00 0.00 0.00 174.74 174.85 2kn9 n MET 9 N 2.88 0.13 0.00 -0.38 0.00 -1.26 -5.00 117.12 113.50 2kn9 n MET 9 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.52 2kn9 n MET 9 Cb 0.53 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.25 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 1.45 2.41 2.94 3.17 0.00 -1.26 -4.52 105.19 109.38 2kn9 n GLY 10 Ca 0.08 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.65 0.29 2.61 2.01 -1.26 -5.15 115.64 113.49 2kn9 s THR 11 Ca 0.00 -0.09 -0.25 0.00 0.31 0.00 0.00 61.69 61.66 2kn9 s THR 11 Cb 0.00 -0.86 -0.09 0.00 0.01 0.00 0.00 72.50 71.56 2kn9 s THR 11 CO 0.00 -0.13 0.89 -0.76 -0.69 0.00 0.00 174.62 173.93 2kn9 s LEU 12 N 2.58 4.37 -1.32 4.42 1.02 -1.26 -4.96 118.68 123.53 2kn9 s LEU 12 Ca 0.13 1.74 -0.11 0.00 0.02 0.00 0.00 54.13 55.91 2kn9 s LEU 12 Cb -0.15 -3.86 0.13 0.00 0.02 0.00 0.00 46.19 42.33 2kn9 s LEU 12 CO -0.18 -0.02 1.91 -0.62 0.02 0.00 0.00 176.35 177.46 2kn9 n GLU 13 N 0.71 3.40 0.00 1.70 1.02 -1.26 -4.67 120.64 121.53 2kn9 n GLU 13 Ca 0.00 -3.33 0.13 0.00 -0.02 0.00 0.00 57.16 53.95 2kn9 n GLU 13 Cb 0.50 -3.05 0.46 0.00 -0.02 0.00 0.00 31.44 29.33 2kn9 n GLU 13 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kn9 n ALA 14 N 4.79 2.99 -0.29 0.62 0.00 -1.26 -4.31 120.51 123.06 2kn9 n ALA 14 Ca 0.43 -0.32 0.11 0.00 0.00 0.00 0.00 53.44 53.65 2kn9 n ALA 14 Cb 0.38 -1.23 0.25 0.00 0.00 0.00 0.00 19.45 18.85 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 0.66 0.19 -2.90 0.00 4.20 -2.03 -3.45 115.11 111.78 2kn9 h GLN 15 Ca 0.00 -0.01 -0.27 0.00 0.06 0.00 0.00 58.65 58.43 2kn9 h GLN 15 Cb 0.45 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.14 2kn9 h GLN 15 CO 0.00 0.13 -0.32 0.25 -0.67 0.00 0.00 178.83 178.22 2kn9 n THR 16 N -5.24 -0.42 0.00 -0.54 -2.24 -1.26 -3.88 114.28 100.69 2kn9 n THR 16 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 2kn9 n THR 16 Cb 0.62 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 2kn9 n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kn9 n GLN 17 N -2.51 0.00 -3.64 -0.78 3.00 -1.26 -4.75 117.38 107.43 2kn9 n GLN 17 Ca -0.15 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.76 2kn9 n GLN 17 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.78 2kn9 n GLN 17 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2kn9 s GLY 18 N 0.00 -0.35 0.53 1.08 0.00 -1.25 -5.17 107.32 102.16 2kn9 s GLY 18 Ca 0.00 0.31 -0.11 0.00 0.00 0.00 0.00 44.72 44.92 2kn9 s GLY 18 CO 0.00 0.09 0.92 2.56 0.00 0.00 0.00 173.10 176.67 2kn9 s PRO 19 N -3.53 3.69 1.15 2.90 0.04 -1.26 -4.93 135.00 133.06 2kn9 s PRO 19 Ca 0.07 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.73 2kn9 s PRO 19 Cb -0.02 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2kn9 s PRO 19 CO -0.03 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.09 2kn9 n GLY 20 N -2.13 -1.78 1.66 0.56 0.00 -1.26 -4.90 105.19 97.34 2kn9 n GLY 20 Ca 0.04 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2kn9 n GLY 20 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kn9 n SER 21 N 0.32 0.00 -0.03 1.61 2.88 -1.26 -4.95 113.62 112.19 2kn9 n SER 21 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 2kn9 n SER 21 Cb 0.00 0.33 -0.10 0.00 -0.75 0.00 0.00 64.21 63.69 2kn9 n SER 21 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 2kn9 h MET 22 N 0.00 0.19 -4.14 -1.46 2.86 -2.03 -3.50 114.93 106.85 2kn9 h MET 22 Ca 0.00 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2kn9 h MET 22 Cb 0.00 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.63 2kn9 h MET 22 CO 0.00 0.79 -0.82 -1.71 1.06 0.00 0.00 176.91 176.24 2kn9 n ASN 23 N -4.58 -2.24 -0.45 1.22 5.15 -1.26 -5.00 115.26 108.10 2kn9 n ASN 23 Ca -0.08 0.78 0.01 0.00 -0.60 0.00 0.00 54.58 54.69 2kn9 n ASN 23 Cb 0.42 -3.43 0.02 0.00 -0.53 0.00 0.00 39.78 36.26 2kn9 n ASN 23 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2kn9 n ASP 24 N 0.81 0.30 -4.85 1.20 2.03 -1.26 -5.11 116.55 109.66 2kn9 n ASP 24 Ca -0.18 -2.14 -0.33 0.00 0.52 0.00 0.00 54.79 52.67 2kn9 n ASP 24 Cb 0.27 -0.23 -0.06 0.00 -0.72 0.00 0.00 41.12 40.38 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 -0.36 3.45 0.09 -0.67 2.02 -1.26 -5.07 117.35 115.54 2kn9 s TYR 25 Ca 0.04 1.12 0.01 0.00 -0.37 0.00 0.00 57.07 57.87 2kn9 s TYR 25 Cb 0.04 -2.45 -0.04 0.00 -0.40 0.00 0.00 41.96 39.11 2kn9 s TYR 25 CO 0.00 0.21 0.22 0.15 -1.57 0.00 0.00 175.55 174.56 2kn9 s LYS 26 N -2.70 3.39 -0.40 -0.62 -0.14 -1.26 -4.32 119.74 113.69 2kn9 s LYS 26 Ca 0.49 -0.51 -0.13 0.00 -1.36 0.00 0.00 55.97 54.46 2kn9 s LYS 26 Cb -0.12 -2.99 0.03 0.00 -1.68 0.00 0.00 37.83 33.07 2kn9 s LYS 26 CO 0.19 0.58 0.25 -0.51 -0.76 0.00 0.00 175.35 175.11 2kn9 s LEU 27 N -2.71 4.94 -0.39 3.17 2.01 0.32 -1.44 118.68 124.57 2kn9 s LEU 27 Ca 0.34 -0.99 -0.20 0.00 0.01 0.00 0.00 54.13 53.29 2kn9 s LEU 27 Cb -0.12 -2.08 0.01 0.00 0.01 0.00 0.00 46.19 44.00 2kn9 s LEU 27 CO 0.28 -0.43 0.59 -0.36 1.01 0.00 0.00 176.35 177.44 2kn9 s PHE 28 N 1.60 3.13 -0.27 0.29 0.40 0.35 -0.32 117.98 123.16 2kn9 s PHE 28 Ca 0.03 0.10 -0.09 0.00 -0.60 0.00 0.00 56.93 56.38 2kn9 s PHE 28 Cb -0.19 -3.15 -0.03 0.00 0.51 0.00 0.00 43.02 40.16 2kn9 s PHE 28 CO 0.08 -0.70 0.11 0.50 0.70 0.00 0.00 175.22 175.91 2kn9 s ARG 29 N 2.63 3.66 0.06 0.44 3.52 -0.22 0.20 118.95 129.25 2kn9 s ARG 29 Ca 0.21 -0.49 -0.31 0.00 -0.13 0.00 0.00 55.73 55.02 2kn9 s ARG 29 Cb -0.15 -3.44 -0.08 0.00 -1.56 0.00 0.00 34.95 29.72 2kn9 s ARG 29 CO 0.16 -0.23 1.62 0.00 -0.81 0.00 0.00 175.30 176.04 2kn9 n ILE 31 N 4.70 0.00 0.41 0.00 -5.35 0.13 -0.11 119.36 119.15 2kn9 n ILE 31 Ca 0.15 -0.02 0.12 0.00 -0.27 0.00 0.00 62.75 62.74 2kn9 n ILE 31 Cb 0.41 -0.23 0.20 0.00 -1.74 0.00 0.00 39.64 38.28 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 0.16 0.00 0.00 6.28 1.08 -1.91 -3.43 115.11 117.29 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 0.43 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 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 -0.27 1.32 3.63 0.00 0.00 0.85 -5.04 105.19 105.67 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 1.33 -0.21 1.61 5.36 -1.25 -4.62 117.98 118.21 2kn9 s PHE 35 Ca 0.00 0.12 -0.14 0.00 -0.96 0.00 0.00 56.93 55.95 2kn9 s PHE 35 Cb 0.00 -4.07 -0.04 0.00 -0.34 0.00 0.00 43.02 38.57 2kn9 s PHE 35 CO 0.00 -4.57 0.30 -1.21 -1.46 0.00 0.00 175.22 168.27 2kn9 s GLU 36 N 5.35 4.16 -0.32 10.12 2.02 -1.26 0.17 118.70 138.93 2kn9 s GLU 36 Ca 0.92 0.02 -0.07 0.00 0.02 0.00 0.00 54.97 55.86 2kn9 s GLU 36 Cb -0.36 -3.51 0.02 0.00 0.10 0.00 0.00 34.13 30.38 2kn9 s GLU 36 CO 0.37 0.05 0.11 -0.47 0.02 0.00 0.00 175.26 175.34 2kn9 s TYR 37 N 1.05 3.20 -0.20 1.61 5.04 0.13 -4.93 117.35 123.26 2kn9 s TYR 37 Ca 0.15 -1.13 -0.29 0.00 -2.44 0.00 0.00 57.07 53.36 2kn9 s TYR 37 Cb -0.14 -2.29 0.00 0.00 0.35 0.00 0.00 41.96 39.89 2kn9 s TYR 37 CO 0.06 -0.64 1.03 -0.51 -1.34 0.00 0.00 175.55 174.15 2kn9 s ASP 38 N 1.47 7.13 0.63 4.32 1.11 -1.26 -0.49 116.67 129.58 2kn9 s ASP 38 Ca 0.01 1.41 0.39 0.00 0.18 0.00 0.00 52.55 54.54 2kn9 s ASP 38 Cb -0.18 -2.54 2.14 0.00 1.07 0.00 0.00 42.92 43.40 2kn9 s ASP 38 CO 0.03 -0.61 2.30 -0.33 1.18 0.00 0.00 175.17 177.74 2kn9 h GLU 39 N 7.36 0.00 0.00 8.23 5.08 -1.56 0.86 114.58 134.55 2kn9 h GLU 39 Ca -0.22 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 2kn9 h GLU 39 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2kn9 h GLU 39 CO 0.95 0.01 -0.33 0.00 -1.00 0.00 0.00 179.01 178.63 2kn9 h ALA 40 N 1.99 0.82 0.00 3.43 0.00 -1.90 0.20 119.26 123.80 2kn9 h ALA 40 Ca -0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 54.91 54.27 2kn9 h ALA 40 Cb 0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2kn9 h ALA 40 CO 0.00 0.29 -2.47 -0.11 0.00 0.00 0.00 179.25 176.97 2kn9 n LEU 41 N -3.11 2.33 0.00 0.00 0.00 -0.62 -4.26 117.00 111.34 2kn9 n LEU 41 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 56.01 56.17 2kn9 n LEU 41 Cb 0.63 -0.82 0.00 0.00 0.00 0.00 0.00 43.42 43.22 2kn9 n LEU 41 CO 0.37 0.71 0.00 0.61 0.00 0.00 0.00 177.39 179.08 2kn9 n GLY 42 N 1.73 -1.52 2.62 -3.96 0.00 0.20 -3.76 105.19 100.49 2kn9 n GLY 42 Ca -0.49 -1.31 -0.19 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.02 0.34 1.61 -0.11 0.14 -4.79 118.94 116.11 2kn9 s TRP 43 Ca 0.00 -1.35 0.31 0.00 1.22 0.00 0.00 56.10 56.27 2kn9 s TRP 43 Cb 0.00 -0.47 1.49 0.00 -1.50 0.00 0.00 33.47 32.99 2kn9 s TRP 43 CO 0.00 -0.97 2.06 -1.35 -4.62 0.00 0.00 176.95 172.06 2kn9 h PRO 44 N 6.14 0.00 0.00 5.86 0.11 -1.82 -0.04 132.00 142.25 2kn9 h PRO 44 Ca 0.13 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 2kn9 h PRO 44 Cb 1.01 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 2kn9 h PRO 44 CO 0.22 0.09 -0.12 0.93 -0.21 0.00 0.00 178.00 178.92 2kn9 h GLU 45 N 0.00 0.00 0.00 1.05 5.08 -1.95 -2.66 114.58 116.10 2kn9 h GLU 45 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2kn9 h GLU 45 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2kn9 h GLU 45 CO 0.01 0.12 -1.83 -3.47 -1.00 0.00 0.00 179.01 172.84 2kn9 n ASP 46 N -3.67 1.19 0.00 1.42 2.03 -0.72 -4.99 116.55 111.81 2kn9 n ASP 46 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2kn9 n ASP 46 Cb 0.24 1.55 0.00 0.00 -0.72 0.00 0.00 41.12 42.19 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 1.67 1.04 3.65 0.27 0.00 -0.74 -5.09 105.19 105.99 2kn9 n GLY 47 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 4.08 0.25 -0.61 -1.09 -0.11 -4.89 121.20 116.84 2kn9 s ILE 48 Ca 0.00 1.29 -0.15 0.00 -2.23 0.00 0.00 60.65 59.55 2kn9 s ILE 48 Cb 0.00 -3.92 -0.08 0.00 -1.58 0.00 0.00 42.46 36.88 2kn9 s ILE 48 CO 0.00 -0.21 0.67 0.00 -1.23 0.00 0.00 174.94 174.17 2kn9 s ALA 49 N 3.96 3.43 0.02 9.38 0.00 -1.26 -0.68 121.76 136.60 2kn9 s ALA 49 Ca 0.60 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 52.25 2kn9 s ALA 49 Cb -0.23 -2.69 -0.08 0.00 0.00 0.00 0.00 23.12 20.13 2kn9 s ALA 49 CO 0.20 0.38 1.88 0.00 0.00 0.00 0.00 175.76 178.22 2kn9 s ALA 50 N -1.76 3.60 0.00 0.00 0.00 -1.25 -1.21 121.76 121.15 2kn9 s ALA 50 Ca 0.48 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.67 2kn9 s ALA 50 Cb -0.13 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2kn9 s ALA 50 CO 0.19 -1.51 0.00 0.41 0.00 0.00 0.00 175.76 174.86 2kn9 n GLY 51 N 4.42 1.34 3.64 0.00 0.00 0.71 -4.96 105.19 110.34 2kn9 n GLY 51 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.18 3.54 0.61 2.61 2.01 -0.35 -4.98 115.64 116.90 2kn9 s THR 52 Ca 0.00 0.62 -0.17 0.00 0.31 0.00 0.00 61.69 62.46 2kn9 s THR 52 Cb 0.00 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 2kn9 s THR 52 CO 0.00 -0.18 1.11 -0.13 -0.69 0.00 0.00 174.62 174.72 2kn9 s ARG 53 N 4.67 3.06 0.28 4.92 1.81 -1.26 -4.80 118.95 127.62 2kn9 s ARG 53 Ca 0.76 1.44 0.01 0.00 -1.72 0.00 0.00 55.73 56.22 2kn9 s ARG 53 Cb -0.29 -1.98 0.60 0.00 -0.45 0.00 0.00 34.95 32.82 2kn9 s ARG 53 CO 0.31 -1.05 1.76 2.35 -0.68 0.00 0.00 175.30 177.99 2kn9 h TRP 54 N 0.48 0.85 0.00 -0.53 2.91 -1.94 0.54 115.95 118.26 2kn9 h TRP 54 Ca -0.48 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.58 2kn9 h TRP 54 Cb 1.25 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.66 2kn9 h TRP 54 CO 0.54 0.19 0.00 -0.25 -1.03 0.00 0.00 178.44 177.89 2kn9 n ASP 55 N -4.85 0.74 0.05 2.65 8.00 -1.26 -1.76 116.55 120.13 2kn9 n ASP 55 Ca 0.19 0.65 0.12 0.00 0.71 0.00 0.00 54.79 56.46 2kn9 n ASP 55 Cb 0.48 -0.82 0.21 0.00 -0.02 0.00 0.00 41.12 40.97 2kn9 n ASP 55 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2kn9 n ASP 56 N -2.28 0.64 -4.70 -2.24 2.03 0.16 -4.79 116.55 105.36 2kn9 n ASP 56 Ca 0.03 0.09 -0.40 0.00 0.52 0.00 0.00 54.79 55.02 2kn9 n ASP 56 Cb 0.29 0.12 -0.05 0.00 -0.72 0.00 0.00 41.12 40.76 2kn9 n ASP 56 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2kn9 s ILE 57 N -3.13 5.00 0.30 5.18 1.01 -0.72 -4.98 121.20 123.86 2kn9 s ILE 57 Ca 0.08 1.47 -0.30 0.00 0.00 0.00 0.00 60.65 61.90 2kn9 s ILE 57 Cb 0.14 -4.06 -0.12 0.00 0.01 0.00 0.00 42.46 38.43 2kn9 s ILE 57 CO 0.70 0.18 1.42 -0.81 0.00 0.00 0.00 174.94 176.43 2kn9 n PRO 58 N 4.30 2.28 0.00 2.79 -0.04 -1.26 -4.86 135.00 138.20 2kn9 n PRO 58 Ca 0.00 0.80 0.10 0.00 -0.04 0.00 0.00 63.50 64.36 2kn9 n PRO 58 Cb 0.50 -2.47 0.56 0.00 -0.04 0.00 0.00 33.50 32.06 2kn9 n PRO 58 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kn9 n ASP 59 N 1.51 0.00 0.14 3.54 9.92 -1.26 -1.23 116.55 129.18 2kn9 n ASP 59 Ca 0.07 -0.55 0.03 0.00 -0.53 0.00 0.00 54.79 53.81 2kn9 n ASP 59 Cb 0.35 -0.02 0.05 0.00 -0.64 0.00 0.00 41.12 40.85 2kn9 n ASP 59 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2kn9 h ASP 60 N 0.00 0.00 -3.09 -2.24 3.58 -2.03 -3.42 116.42 109.21 2kn9 h ASP 60 Ca 0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.92 2kn9 h ASP 60 Cb 0.01 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.07 2kn9 h ASP 60 CO 0.00 0.49 0.65 0.86 -2.88 0.00 0.00 179.24 178.36 2kn9 s TRP 61 N -3.00 3.29 0.41 0.28 -0.00 -0.36 -5.00 118.94 114.56 2kn9 s TRP 61 Ca 0.04 1.13 0.07 0.00 -0.00 0.00 0.00 56.10 57.34 2kn9 s TRP 61 Cb 0.08 -3.53 -0.07 0.00 -0.00 0.00 0.00 33.47 29.94 2kn9 s TRP 61 CO 0.74 -1.77 0.05 -1.12 -0.00 0.00 0.00 176.95 174.86 2kn9 s SER 62 N 1.20 4.02 -0.23 5.86 0.01 -1.26 -3.75 113.70 119.56 2kn9 s SER 62 Ca 0.61 -1.29 -0.37 0.00 1.31 0.00 0.00 55.95 56.21 2kn9 s SER 62 Cb -0.32 -0.42 -0.13 0.00 0.21 0.00 0.00 66.02 65.36 2kn9 s SER 62 CO 0.29 -0.47 1.89 0.00 0.41 0.00 0.00 173.24 175.35 2kn9 n PRO 64 N 6.44 0.09 -0.08 0.00 -0.02 -1.26 -1.00 135.00 139.16 2kn9 n PRO 64 Ca 0.28 0.24 -0.12 0.00 -2.02 0.00 0.00 63.50 61.88 2kn9 n PRO 64 Cb 0.21 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.12 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 0.00 0.00 2.55 3.58 -1.98 -3.46 116.42 117.11 2kn9 h ASP 65 Ca 0.00 -0.42 -0.04 0.00 0.42 0.00 0.00 57.03 56.99 2kn9 h ASP 65 Cb 0.14 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 2kn9 h ASP 65 CO 0.00 1.02 -0.66 0.00 -2.88 0.00 0.00 179.24 176.72 2kn9 n GLY 67 N 2.84 -0.40 3.74 0.00 0.00 -0.17 -4.98 105.19 106.22 2kn9 n GLY 67 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.42 3.55 1.08 4.61 0.00 -1.26 -4.51 121.76 124.80 2kn9 s ALA 68 Ca 0.00 1.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 2kn9 s ALA 68 Cb 0.00 -3.50 0.24 0.00 0.00 0.00 0.00 23.12 19.86 2kn9 s ALA 68 CO 0.00 -0.58 1.19 0.00 0.00 0.00 0.00 175.76 176.37 2kn9 s ALA 69 N 0.02 1.35 0.44 0.00 0.00 -1.26 0.62 121.76 122.93 2kn9 s ALA 69 Ca 0.57 -0.99 0.14 0.00 0.00 0.00 0.00 51.96 51.68 2kn9 s ALA 69 Cb -0.38 -2.86 1.04 0.00 0.00 0.00 0.00 23.12 20.92 2kn9 s ALA 69 CO 0.40 -3.00 1.98 0.87 0.00 0.00 0.00 175.76 176.01 2kn9 h LYS 70 N -2.10 0.38 0.00 0.00 1.57 -1.82 0.18 116.57 114.78 2kn9 h LYS 70 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2kn9 h LYS 70 Cb 1.28 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2kn9 h LYS 70 CO 0.39 0.25 0.00 1.03 -0.57 0.00 0.00 179.45 180.55 2kn9 h SER 71 N 0.40 0.00 -0.20 0.86 0.87 -1.93 -0.91 113.55 112.63 2kn9 h SER 71 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2kn9 h SER 71 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2kn9 h SER 71 CO -0.08 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 176.69 2kn9 n ASP 72 N -2.32 2.01 -4.77 6.23 8.00 0.05 -4.85 116.55 120.91 2kn9 n ASP 72 Ca 0.01 -1.77 -0.35 0.00 0.71 0.00 0.00 54.79 53.39 2kn9 n ASP 72 Cb 0.16 -0.13 -0.08 0.00 -0.02 0.00 0.00 41.12 41.05 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 -1.75 3.31 0.10 1.24 0.40 -0.35 0.20 117.98 121.14 2kn9 s PHE 73 Ca 0.33 0.28 0.07 0.00 -0.60 0.00 0.00 56.93 57.01 2kn9 s PHE 73 Cb 0.18 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 2kn9 s PHE 73 CO 0.27 0.56 -0.09 -1.83 0.70 0.00 0.00 175.22 174.84 2kn9 s GLU 74 N -1.22 2.19 -0.53 0.44 -1.05 -0.39 -4.86 118.70 113.28 2kn9 s GLU 74 Ca 0.17 -0.99 -0.21 0.00 -0.15 0.00 0.00 54.97 53.79 2kn9 s GLU 74 Cb -0.12 -2.34 0.05 0.00 -0.44 0.00 0.00 34.13 31.29 2kn9 s GLU 74 CO 0.07 0.52 0.78 1.41 0.95 0.00 0.00 175.26 178.98 2kn9 s MET 75 N -2.16 3.22 -0.29 -4.83 -2.45 -1.26 -1.05 119.30 110.48 2kn9 s MET 75 Ca 0.21 -0.61 0.03 0.00 -1.25 0.00 0.00 55.69 54.08 2kn9 s MET 75 Cb -0.11 -4.08 0.07 0.00 1.25 0.00 0.00 34.83 31.96 2kn9 s MET 75 CO 0.14 -1.36 -0.06 0.08 1.05 0.00 0.00 175.02 174.87 2kn9 s VAL 76 N 3.27 2.24 0.02 10.11 1.01 0.56 -4.96 120.40 132.65 2kn9 s VAL 76 Ca 0.22 -1.84 -0.13 0.00 0.00 0.00 0.00 61.98 60.24 2kn9 s VAL 76 Cb -0.16 -2.42 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 2kn9 s VAL 76 CO 0.15 -0.20 0.39 -1.83 0.00 0.00 0.00 175.10 173.61 2kn9 s GLU 77 N 1.05 3.83 -0.40 2.72 -1.05 -1.26 -0.52 118.70 123.07 2kn9 s GLU 77 Ca -0.03 0.30 -0.23 0.00 -0.15 0.00 0.00 54.97 54.86 2kn9 s GLU 77 Cb -0.20 -3.14 0.02 0.00 -0.44 0.00 0.00 34.13 30.37 2kn9 s GLU 77 CO -0.06 0.65 0.77 0.08 0.95 0.00 0.00 175.26 177.65 2kn9 s VAL 78 N -1.19 4.72 -2.18 1.83 1.01 -1.26 -4.89 120.40 118.43 2kn9 s VAL 78 Ca 0.27 0.67 0.19 0.00 0.00 0.00 0.00 61.98 63.10 2kn9 s VAL 78 Cb -0.15 -4.24 0.44 0.00 0.00 0.00 0.00 36.38 32.43 2kn9 s VAL 78 CO 0.14 -0.54 1.53 0.00 0.00 0.00 0.00 175.10 176.24 2kn9 n ALA 79 N 6.50 2.53 -2.48 5.51 0.00 -1.26 -4.82 120.51 126.49 2kn9 n ALA 79 Ca 0.02 -0.43 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 2kn9 n ALA 79 Cb 0.48 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 2kn9 n ALA 79 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kn9 s ARG 80 N -1.81 3.99 0.00 0.00 0.52 -1.26 -5.25 118.95 115.14 2kn9 s ARG 80 Ca 0.29 1.24 0.00 0.00 -0.52 0.00 0.00 55.73 56.74 2kn9 s ARG 80 Cb 0.15 -3.83 0.00 0.00 0.52 0.00 0.00 34.95 31.80 2kn9 s ARG 80 CO 0.23 -1.01 0.00 0.43 0.02 0.00 0.00 175.30 174.97