#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 -1.63 -0.48 3.04 0.00 -1.26 -5.12 121.76 116.31 2kn9 s ALA 2 Ca 0.00 0.45 -0.13 0.00 0.00 0.00 0.00 51.96 52.28 2kn9 s ALA 2 Cb 0.00 0.66 0.10 0.00 0.00 0.00 0.00 23.12 23.88 2kn9 s ALA 2 CO 0.00 -0.85 0.38 -1.58 0.00 0.00 0.00 175.76 173.71 2kn9 s HIS 3 N -3.44 3.31 -0.11 0.00 5.65 -1.26 -5.06 115.29 114.39 2kn9 s HIS 3 Ca 0.07 -1.41 -0.25 0.00 0.25 0.00 0.00 55.06 53.72 2kn9 s HIS 3 Cb -0.02 -3.39 -0.03 0.00 -1.18 0.00 0.00 32.58 27.97 2kn9 s HIS 3 CO -0.05 -0.92 0.78 -1.58 -0.65 0.00 0.00 174.74 172.32 2kn9 s HIS 4 N 1.51 3.50 0.33 3.88 2.46 -1.26 -5.04 115.29 120.67 2kn9 s HIS 4 Ca 0.04 1.28 -0.25 0.00 0.47 0.00 0.00 55.06 56.59 2kn9 s HIS 4 Cb -0.26 -2.93 -0.10 0.00 -0.13 0.00 0.00 32.58 29.16 2kn9 s HIS 4 CO 0.03 -0.08 0.94 -1.01 -2.47 0.00 0.00 174.74 172.14 2kn9 s HIS 5 N 1.48 3.65 -0.12 3.88 3.76 -1.26 -5.06 115.29 121.63 2kn9 s HIS 5 Ca 0.39 1.75 -0.03 0.00 -0.15 0.00 0.00 55.06 57.02 2kn9 s HIS 5 Cb -0.17 -2.91 0.04 0.00 1.11 0.00 0.00 32.58 30.65 2kn9 s HIS 5 CO 0.16 0.18 0.05 -3.38 -0.85 0.00 0.00 174.74 170.90 2kn9 s HIS 6 N -1.68 0.46 -0.16 1.40 -0.00 -1.26 -5.10 115.29 108.95 2kn9 s HIS 6 Ca 0.51 -0.24 -0.05 0.00 -0.00 0.00 0.00 55.06 55.28 2kn9 s HIS 6 Cb -0.17 -0.74 0.06 0.00 -0.00 0.00 0.00 32.58 31.73 2kn9 s HIS 6 CO 0.22 -0.40 0.10 -1.01 -0.00 0.00 0.00 174.74 173.66 2kn9 s HIS 7 N 2.04 0.13 -0.04 0.38 3.76 -1.26 -5.14 115.29 115.16 2kn9 s HIS 7 Ca 0.03 -0.20 0.07 0.00 -0.15 0.00 0.00 55.06 54.80 2kn9 s HIS 7 Cb -0.14 -0.64 -0.02 0.00 1.11 0.00 0.00 32.58 32.90 2kn9 s HIS 7 CO -0.06 -0.49 -0.24 -1.58 -0.85 0.00 0.00 174.74 171.51 2kn9 s HIS 8 N 2.16 2.43 -0.18 1.40 2.46 -1.26 -5.05 115.29 117.25 2kn9 s HIS 8 Ca 0.03 -0.54 -0.22 0.00 0.47 0.00 0.00 55.06 54.80 2kn9 s HIS 8 Cb -0.16 -1.57 -0.19 0.00 -0.13 0.00 0.00 32.58 30.54 2kn9 s HIS 8 CO -0.09 -0.10 0.31 0.52 -2.47 0.00 0.00 174.74 172.92 2kn9 h MET 9 N 5.76 0.00 0.00 2.88 2.86 -2.09 -3.50 114.93 120.85 2kn9 h MET 9 Ca -0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2kn9 h MET 9 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 2kn9 h MET 9 CO 0.48 0.90 0.00 0.41 1.06 0.00 0.00 176.91 179.76 2kn9 n GLY 10 N 1.50 2.09 3.77 8.32 0.00 -1.26 -5.06 105.19 114.54 2kn9 n GLY 10 Ca -0.24 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 2kn9 n GLY 10 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kn9 s THR 11 N 0.00 0.00 0.00 2.61 -1.32 -1.26 -5.19 115.64 110.48 2kn9 s THR 11 Ca 0.00 -1.09 0.00 0.00 -1.21 0.00 0.00 61.69 59.39 2kn9 s THR 11 Cb 0.00 -2.74 0.00 0.00 -1.51 0.00 0.00 72.50 68.25 2kn9 s THR 11 CO 0.00 0.00 0.00 0.18 -2.21 0.00 0.00 174.62 172.59 2kn9 n LEU 12 N -0.52 0.00 -3.59 9.08 7.99 -1.26 -5.01 117.00 123.69 2kn9 n LEU 12 Ca -0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 56.01 55.52 2kn9 n LEU 12 Cb 0.60 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.90 2kn9 n LEU 12 CO 0.25 -0.07 2.92 -0.62 -1.51 0.00 0.00 177.39 178.36 2kn9 n GLU 13 N -0.14 3.17 0.00 3.23 4.71 -1.26 -4.50 120.64 125.85 2kn9 n GLU 13 Ca 0.00 -2.49 0.12 0.00 -0.01 0.00 0.00 57.16 54.78 2kn9 n GLU 13 Cb 0.00 -3.11 0.22 0.00 -1.01 0.00 0.00 31.44 27.54 2kn9 n GLU 13 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kn9 n ALA 14 N 5.17 3.50 0.15 0.62 0.00 -1.26 -4.48 120.51 124.22 2kn9 n ALA 14 Ca 0.61 -0.45 -0.07 0.00 0.00 0.00 0.00 53.44 53.53 2kn9 n ALA 14 Cb 0.33 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 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 0.91 -0.43 -5.69 0.00 1.08 -2.04 -3.48 115.11 105.45 2kn9 h GLN 15 Ca 0.00 0.03 -0.27 0.00 -1.45 0.00 0.00 58.65 56.96 2kn9 h GLN 15 Cb 0.54 0.10 0.13 0.00 -0.05 0.00 0.00 27.48 28.20 2kn9 h GLN 15 CO 0.00 -0.29 -0.75 2.41 -0.95 0.00 0.00 178.83 179.26 2kn9 n THR 16 N -4.68 -8.28 -2.72 -0.54 -1.04 -1.26 -4.91 114.28 90.84 2kn9 n THR 16 Ca -0.06 -1.02 -0.42 0.00 -2.04 0.00 0.00 64.05 60.51 2kn9 n THR 16 Cb 0.18 -5.90 -0.03 0.00 -1.82 0.00 0.00 70.33 62.75 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 -4.60 3.33 0.00 -2.82 0.74 -1.26 -4.84 119.66 110.21 2kn9 s GLN 17 Ca 0.37 -0.19 0.00 0.00 0.05 0.00 0.00 55.36 55.59 2kn9 s GLN 17 Cb -0.08 -4.08 0.00 0.00 1.10 0.00 0.00 33.01 29.95 2kn9 s GLN 17 CO 0.78 -1.69 0.00 0.41 -0.55 0.00 0.00 175.29 174.24 2kn9 n GLY 18 N 5.17 0.57 0.32 2.59 0.00 -1.26 -5.04 105.19 107.54 2kn9 n GLY 18 Ca 0.03 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 0.80 0.00 1.61 0.11 -1.92 -3.47 132.00 129.13 2kn9 h PRO 19 Ca 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2kn9 h PRO 19 Cb 0.00 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 30.95 2kn9 h PRO 19 CO 0.00 0.61 0.00 0.41 -0.21 0.00 0.00 178.00 178.81 2kn9 n GLY 20 N -1.22 0.76 3.56 -0.55 0.00 -1.26 -4.95 105.19 101.53 2kn9 n GLY 20 Ca 0.05 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 2kn9 n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kn9 s SER 21 N -0.92 6.03 0.04 1.61 0.01 -1.26 -4.80 113.70 114.41 2kn9 s SER 21 Ca 0.00 -0.07 -0.01 0.00 1.31 0.00 0.00 55.95 57.18 2kn9 s SER 21 Cb 0.00 -2.55 -0.27 0.00 0.21 0.00 0.00 66.02 63.41 2kn9 s SER 21 CO 0.00 -1.86 1.01 0.24 0.41 0.00 0.00 173.24 173.04 2kn9 h MET 22 N 11.08 0.20 0.00 12.44 2.86 -1.95 -3.45 114.93 136.11 2kn9 h MET 22 Ca -0.27 -0.35 -0.28 0.00 -2.06 0.00 0.00 59.70 56.74 2kn9 h MET 22 Cb 1.08 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.83 2kn9 h MET 22 CO 1.23 1.09 -0.16 0.09 1.06 0.00 0.00 176.91 180.22 2kn9 n ASN 23 N -3.44 2.14 -4.58 1.22 3.02 -1.26 -4.98 115.26 107.39 2kn9 n ASN 23 Ca -0.11 -1.93 -0.43 0.00 -0.03 0.00 0.00 54.58 52.08 2kn9 n ASN 23 Cb 1.02 0.06 -0.00 0.00 -0.61 0.00 0.00 39.78 40.25 2kn9 n ASN 23 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kn9 n ASP 24 N -1.61 4.89 -4.42 6.41 8.00 -1.26 -4.90 116.55 123.66 2kn9 n ASP 24 Ca -0.05 -2.91 -0.21 0.00 0.71 0.00 0.00 54.79 52.33 2kn9 n ASP 24 Cb 0.29 -1.75 -0.10 0.00 -0.02 0.00 0.00 41.12 39.54 2kn9 n ASP 24 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2kn9 s TYR 25 N 4.40 1.89 0.26 1.24 2.02 -1.26 -5.07 117.35 120.82 2kn9 s TYR 25 Ca 0.54 -0.84 0.10 0.00 -0.37 0.00 0.00 57.07 56.50 2kn9 s TYR 25 Cb 0.04 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 2kn9 s TYR 25 CO 0.08 0.11 -0.02 0.15 -1.57 0.00 0.00 175.55 174.30 2kn9 s LYS 26 N -3.82 2.24 0.07 -0.62 3.01 -1.26 -4.64 119.74 114.73 2kn9 s LYS 26 Ca 0.32 -1.43 0.03 0.00 -1.01 0.00 0.00 55.97 53.88 2kn9 s LYS 26 Cb 0.06 -2.14 -0.04 0.00 -1.01 0.00 0.00 37.83 34.71 2kn9 s LYS 26 CO 0.13 0.37 0.04 -0.51 0.51 0.00 0.00 175.35 175.88 2kn9 s LEU 27 N -3.61 3.64 -0.19 3.17 1.02 -0.35 -1.46 118.68 120.91 2kn9 s LEU 27 Ca 0.31 -0.06 -0.01 0.00 0.02 0.00 0.00 54.13 54.39 2kn9 s LEU 27 Cb -0.06 -2.30 0.05 0.00 0.02 0.00 0.00 46.19 43.89 2kn9 s LEU 27 CO 0.19 0.19 -0.03 -0.36 0.02 0.00 0.00 176.35 176.37 2kn9 s PHE 28 N -1.31 1.68 -0.19 0.29 0.40 0.27 0.10 117.98 119.22 2kn9 s PHE 28 Ca 0.26 -1.17 -0.08 0.00 -0.60 0.00 0.00 56.93 55.34 2kn9 s PHE 28 Cb -0.12 -1.30 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 2kn9 s PHE 28 CO 0.19 -0.64 0.09 0.50 0.70 0.00 0.00 175.22 176.05 2kn9 s ARG 29 N 1.64 4.04 -0.12 0.44 3.52 -0.29 -0.37 118.95 127.80 2kn9 s ARG 29 Ca -0.01 -0.31 -0.29 0.00 -0.13 0.00 0.00 55.73 54.99 2kn9 s ARG 29 Cb -0.16 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 2kn9 s ARG 29 CO -0.07 0.26 1.48 0.00 -0.81 0.00 0.00 175.30 176.16 2kn9 n ILE 31 N 5.52 0.00 0.28 0.00 -5.35 0.18 0.02 119.36 120.01 2kn9 n ILE 31 Ca 0.16 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.76 2kn9 n ILE 31 Cb 0.44 -0.50 0.14 0.00 -1.74 0.00 0.00 39.64 37.98 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 0.00 0.00 0.00 6.28 1.08 -1.90 -3.44 115.11 117.13 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 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 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 0.06 -0.67 3.64 0.00 0.00 0.10 -5.03 105.19 103.29 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 -0.27 1.69 -0.36 1.61 5.36 -1.25 -4.67 117.98 120.08 2kn9 s PHE 35 Ca 0.00 0.25 -0.15 0.00 -0.96 0.00 0.00 56.93 56.07 2kn9 s PHE 35 Cb 0.00 -4.03 -0.00 0.00 -0.34 0.00 0.00 43.02 38.65 2kn9 s PHE 35 CO 0.00 -3.95 0.32 -1.21 -1.46 0.00 0.00 175.22 168.92 2kn9 s GLU 36 N 4.88 3.38 -0.29 10.12 2.02 -1.26 -0.05 118.70 137.51 2kn9 s GLU 36 Ca 0.82 -0.65 -0.13 0.00 0.02 0.00 0.00 54.97 55.03 2kn9 s GLU 36 Cb -0.32 -3.86 -0.04 0.00 0.10 0.00 0.00 34.13 30.01 2kn9 s GLU 36 CO 0.33 -0.58 0.27 -0.47 0.02 0.00 0.00 175.26 174.84 2kn9 s TYR 37 N 1.86 3.23 -0.17 1.61 5.04 0.50 -4.90 117.35 124.52 2kn9 s TYR 37 Ca 0.08 0.18 -0.09 0.00 -2.44 0.00 0.00 57.07 54.81 2kn9 s TYR 37 Cb -0.17 -2.48 -0.05 0.00 0.35 0.00 0.00 41.96 39.61 2kn9 s TYR 37 CO 0.11 -0.23 0.12 0.34 -1.34 0.00 0.00 175.55 174.56 2kn9 s ASP 38 N 1.71 6.19 0.32 4.32 2.15 -1.26 0.94 116.67 131.04 2kn9 s ASP 38 Ca 0.10 0.29 -0.00 0.00 0.43 0.00 0.00 52.55 53.36 2kn9 s ASP 38 Cb -0.16 -2.06 0.51 0.00 -0.30 0.00 0.00 42.92 40.91 2kn9 s ASP 38 CO 0.11 0.25 1.97 -0.33 -0.17 0.00 0.00 175.17 177.00 2kn9 h GLU 39 N 6.14 0.96 -0.03 4.34 5.08 -1.55 0.22 114.58 129.75 2kn9 h GLU 39 Ca -0.45 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 57.65 2kn9 h GLU 39 Cb 1.18 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2kn9 h GLU 39 CO 0.70 0.66 -0.82 0.00 -1.00 0.00 0.00 179.01 178.55 2kn9 h ALA 40 N 1.51 0.55 -0.03 3.43 0.00 -1.88 0.16 119.26 123.00 2kn9 h ALA 40 Ca 0.26 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2kn9 h ALA 40 Cb -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2kn9 h ALA 40 CO -0.05 0.83 -0.15 1.25 0.00 0.00 0.00 179.25 181.14 2kn9 h LEU 41 N 0.18 0.18 0.00 0.00 7.12 -1.79 -3.24 115.31 117.76 2kn9 h LEU 41 Ca -0.04 -0.66 0.00 0.00 0.13 0.00 0.00 57.88 57.30 2kn9 h LEU 41 Cb 1.42 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.50 2kn9 h LEU 41 CO 0.13 0.81 0.00 0.61 -0.13 0.00 0.00 178.44 179.87 2kn9 n GLY 42 N 0.72 -1.75 2.46 3.75 0.00 0.74 -4.18 105.19 106.92 2kn9 n GLY 42 Ca -0.09 -1.34 -0.19 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.15 -1.70 0.46 1.61 -0.00 -0.01 -4.73 117.44 112.92 2kn9 n TRP 43 Ca 0.00 -2.77 0.06 0.00 -0.00 0.00 0.00 57.50 54.79 2kn9 n TRP 43 Cb 0.00 0.53 0.27 0.00 -0.00 0.00 0.00 31.31 32.11 2kn9 n TRP 43 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2kn9 n PRO 44 N 2.35 0.05 0.07 5.87 -0.04 -0.98 -1.59 135.00 140.74 2kn9 n PRO 44 Ca 0.23 0.26 -0.05 0.00 -0.04 0.00 0.00 63.50 63.90 2kn9 n PRO 44 Cb 0.53 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.63 2kn9 n PRO 44 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kn9 h GLU 45 N 0.00 0.32 0.00 0.54 5.08 -1.94 -3.09 114.58 115.48 2kn9 h GLU 45 Ca 0.00 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 2kn9 h GLU 45 Cb 0.18 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2kn9 h GLU 45 CO 0.00 0.75 -1.64 -3.47 -1.00 0.00 0.00 179.01 173.65 2kn9 n ASP 46 N -3.96 0.43 0.00 1.42 2.03 -0.84 -4.97 116.55 110.66 2kn9 n ASP 46 Ca -0.02 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.46 2kn9 n ASP 46 Cb 0.55 1.04 0.00 0.00 -0.72 0.00 0.00 41.12 42.00 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 1.40 3.58 0.27 0.00 -0.99 -5.08 105.19 105.70 2kn9 n GLY 47 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.43 3.33 0.47 -0.61 -1.09 -0.62 -4.82 121.20 116.42 2kn9 s ILE 48 Ca 0.00 0.30 -0.22 0.00 -2.23 0.00 0.00 60.65 58.50 2kn9 s ILE 48 Cb 0.00 -3.55 -0.08 0.00 -1.58 0.00 0.00 42.46 37.25 2kn9 s ILE 48 CO 0.00 -0.43 1.10 0.00 -1.23 0.00 0.00 174.94 174.39 2kn9 s ALA 49 N 8.26 2.93 -0.09 9.38 0.00 -1.26 -0.83 121.76 140.15 2kn9 s ALA 49 Ca 0.82 0.79 -0.31 0.00 0.00 0.00 0.00 51.96 53.26 2kn9 s ALA 49 Cb -0.21 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 2kn9 s ALA 49 CO 0.30 -0.50 2.03 0.00 0.00 0.00 0.00 175.76 177.59 2kn9 n ALA 50 N -0.63 1.39 0.00 0.00 0.00 -1.26 -1.03 120.51 118.98 2kn9 n ALA 50 Ca 0.08 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2kn9 n ALA 50 Cb 0.50 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.27 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 4.96 0.70 3.67 0.00 0.00 0.55 -4.95 105.19 110.12 2kn9 n GLY 51 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 3.83 0.48 2.61 2.01 -0.20 -4.92 115.64 117.45 2kn9 s THR 52 Ca 0.00 1.07 -0.23 0.00 0.31 0.00 0.00 61.69 62.84 2kn9 s THR 52 Cb 0.00 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 2kn9 s THR 52 CO 0.00 -0.07 1.27 -0.13 -0.69 0.00 0.00 174.62 175.01 2kn9 s ARG 53 N 3.39 3.57 0.57 4.92 1.81 -1.26 -4.74 118.95 127.20 2kn9 s ARG 53 Ca 0.65 2.05 0.31 0.00 -1.72 0.00 0.00 55.73 57.01 2kn9 s ARG 53 Cb -0.29 -2.43 1.71 0.00 -0.45 0.00 0.00 34.95 33.48 2kn9 s ARG 53 CO 0.24 -0.79 2.17 2.35 -0.68 0.00 0.00 175.30 178.59 2kn9 h TRP 54 N 1.97 0.00 -0.23 -0.53 2.91 -1.93 -0.20 115.95 117.93 2kn9 h TRP 54 Ca -0.50 0.00 -0.13 0.00 1.13 0.00 0.00 58.89 59.39 2kn9 h TRP 54 Cb 1.27 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.91 2kn9 h TRP 54 CO 0.50 0.06 -0.41 -0.44 -1.03 0.00 0.00 178.44 177.13 2kn9 h ASP 55 N 0.00 0.58 0.70 2.65 5.19 -2.02 -3.22 116.42 120.29 2kn9 h ASP 55 Ca -0.00 -0.26 -0.23 0.00 -0.62 0.00 0.00 57.03 55.93 2kn9 h ASP 55 Cb 0.19 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 2kn9 h ASP 55 CO 0.01 0.92 -1.03 -0.78 -3.12 0.00 0.00 179.24 175.23 2kn9 h ASP 56 N 0.45 0.25 -2.63 6.45 3.58 -1.42 -3.44 116.42 119.66 2kn9 h ASP 56 Ca 0.04 -0.24 -0.55 0.00 0.42 0.00 0.00 57.03 56.70 2kn9 h ASP 56 Cb 0.90 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 2kn9 h ASP 56 CO 0.08 1.13 1.07 -0.63 -2.88 0.00 0.00 179.24 178.01 2kn9 s ILE 57 N -2.90 3.55 0.59 2.25 1.01 -0.75 -4.97 121.20 119.99 2kn9 s ILE 57 Ca -0.02 0.70 -0.20 0.00 0.00 0.00 0.00 60.65 61.13 2kn9 s ILE 57 Cb 0.09 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 2kn9 s ILE 57 CO 0.85 -0.06 1.33 -2.16 0.00 0.00 0.00 174.94 174.90 2kn9 s PRO 58 N 3.86 2.86 0.30 2.79 0.04 -1.26 -4.89 135.00 138.70 2kn9 s PRO 58 Ca 0.73 2.15 0.24 0.00 0.04 0.00 0.00 61.00 64.16 2kn9 s PRO 58 Cb -0.34 -2.06 1.08 0.00 0.04 0.00 0.00 34.50 33.23 2kn9 s PRO 58 CO 0.30 -1.39 1.72 0.38 0.04 0.00 0.00 177.00 178.05 2kn9 h ASP 59 N 1.02 0.00 1.19 6.66 2.03 -1.94 -0.67 116.42 124.70 2kn9 h ASP 59 Ca -0.51 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 55.75 2kn9 h ASP 59 Cb 1.32 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.81 2kn9 h ASP 59 CO 0.55 0.00 -0.21 0.44 -1.03 0.00 0.00 179.24 178.99 2kn9 h ASP 60 N 0.00 0.00 -2.73 4.15 3.32 -2.02 -3.41 116.42 115.73 2kn9 h ASP 60 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 2kn9 h ASP 60 Cb 0.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 2kn9 h ASP 60 CO 0.00 0.21 1.09 0.86 -1.72 0.00 0.00 179.24 179.69 2kn9 s TRP 61 N -3.47 2.14 0.28 4.55 -0.00 -0.26 -4.99 118.94 117.19 2kn9 s TRP 61 Ca 0.02 0.49 0.07 0.00 -0.00 0.00 0.00 56.10 56.68 2kn9 s TRP 61 Cb 0.09 -3.91 -0.03 0.00 -0.00 0.00 0.00 33.47 29.62 2kn9 s TRP 61 CO 0.65 -3.09 0.27 -1.12 -0.00 0.00 0.00 176.95 173.66 2kn9 s SER 62 N 3.76 5.63 -0.21 5.86 0.01 -1.26 -4.32 113.70 123.17 2kn9 s SER 62 Ca 0.70 -0.26 -0.34 0.00 1.31 0.00 0.00 55.95 57.37 2kn9 s SER 62 Cb -0.27 -1.35 -0.11 0.00 0.21 0.00 0.00 66.02 64.50 2kn9 s SER 62 CO 0.28 -0.16 2.03 0.00 0.41 0.00 0.00 173.24 175.79 2kn9 h PRO 64 N 11.07 0.00 0.06 0.00 0.11 -1.96 0.16 132.00 141.45 2kn9 h PRO 64 Ca -0.40 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.46 2kn9 h PRO 64 Cb 1.29 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.40 2kn9 h PRO 64 CO 0.97 0.00 -1.08 0.22 -0.21 0.00 0.00 178.00 177.90 2kn9 h ASP 65 N 0.00 0.51 0.00 -2.05 3.58 -1.98 -3.45 116.42 113.03 2kn9 h ASP 65 Ca 0.00 -0.47 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2kn9 h ASP 65 Cb 0.09 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2kn9 h ASP 65 CO 0.00 1.30 0.00 0.00 -2.88 0.00 0.00 179.24 177.66 2kn9 n GLY 67 N 1.46 -0.28 3.76 0.00 0.00 0.48 -4.97 105.19 105.63 2kn9 n GLY 67 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.62 2.68 0.87 4.61 0.00 -1.26 -4.49 121.76 123.55 2kn9 s ALA 68 Ca 0.00 1.03 -0.13 0.00 0.00 0.00 0.00 51.96 52.86 2kn9 s ALA 68 Cb 0.00 -3.45 0.12 0.00 0.00 0.00 0.00 23.12 19.79 2kn9 s ALA 68 CO 0.00 -1.07 1.20 0.00 0.00 0.00 0.00 175.76 175.89 2kn9 s ALA 69 N -1.55 2.34 0.47 0.00 0.00 -1.26 -0.21 121.76 121.56 2kn9 s ALA 69 Ca 0.73 -0.73 0.12 0.00 0.00 0.00 0.00 51.96 52.09 2kn9 s ALA 69 Cb -0.31 -2.94 1.08 0.00 0.00 0.00 0.00 23.12 20.95 2kn9 s ALA 69 CO 0.35 -1.99 2.09 0.87 0.00 0.00 0.00 175.76 177.09 2kn9 h LYS 70 N -1.29 0.21 0.00 0.00 1.57 -1.80 -0.38 116.57 114.88 2kn9 h LYS 70 Ca -0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2kn9 h LYS 70 Cb 1.31 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2kn9 h LYS 70 CO 0.59 0.16 0.00 1.03 -0.57 0.00 0.00 179.45 180.66 2kn9 h SER 71 N 0.21 0.00 -0.51 0.86 0.87 -1.94 -0.55 113.55 112.50 2kn9 h SER 71 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2kn9 h SER 71 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2kn9 h SER 71 CO -0.01 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 176.76 2kn9 n ASP 72 N -2.72 3.83 -4.85 6.23 8.00 -0.15 -4.87 116.55 122.01 2kn9 n ASP 72 Ca -0.00 -2.35 -0.29 0.00 0.71 0.00 0.00 54.79 52.86 2kn9 n ASP 72 Cb 0.18 -0.51 -0.05 0.00 -0.02 0.00 0.00 41.12 40.72 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 -1.78 3.33 -0.08 1.24 0.40 -0.22 -0.65 117.98 120.22 2kn9 s PHE 73 Ca 0.40 0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.85 2kn9 s PHE 73 Cb 0.26 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 42.12 2kn9 s PHE 73 CO 0.19 0.54 -0.11 -1.83 0.70 0.00 0.00 175.22 174.71 2kn9 s GLU 74 N -2.75 2.84 -0.49 0.44 -1.05 0.13 -4.89 118.70 112.93 2kn9 s GLU 74 Ca 0.32 -0.63 -0.28 0.00 -0.15 0.00 0.00 54.97 54.23 2kn9 s GLU 74 Cb -0.12 -2.54 0.01 0.00 -0.44 0.00 0.00 34.13 31.04 2kn9 s GLU 74 CO 0.25 0.53 1.49 1.41 0.95 0.00 0.00 175.26 179.89 2kn9 s MET 75 N -0.46 3.34 -0.50 -4.83 -2.45 -1.26 -1.14 119.30 111.99 2kn9 s MET 75 Ca 0.06 0.74 -0.19 0.00 -1.25 0.00 0.00 55.69 55.05 2kn9 s MET 75 Cb -0.12 -4.12 0.06 0.00 1.25 0.00 0.00 34.83 31.90 2kn9 s MET 75 CO 0.02 -1.87 0.61 0.08 1.05 0.00 0.00 175.02 174.91 2kn9 s VAL 76 N 6.19 4.90 0.25 10.11 1.01 0.28 -4.98 120.40 138.16 2kn9 s VAL 76 Ca 0.60 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 2kn9 s VAL 76 Cb -0.13 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 2kn9 s VAL 76 CO 0.28 -0.79 1.16 -1.83 0.00 0.00 0.00 175.10 173.92 2kn9 s GLU 77 N 2.56 4.55 -0.19 2.72 -1.05 -1.26 -1.21 118.70 124.83 2kn9 s GLU 77 Ca 0.14 1.88 -0.07 0.00 -0.15 0.00 0.00 54.97 56.77 2kn9 s GLU 77 Cb -0.20 -3.19 -0.04 0.00 -0.44 0.00 0.00 34.13 30.26 2kn9 s GLU 77 CO 0.11 0.06 0.04 0.54 0.95 0.00 0.00 175.26 176.96 2kn9 s VAL 78 N -0.76 4.54 -2.62 1.83 0.11 -1.26 -4.95 120.40 117.29 2kn9 s VAL 78 Ca 0.48 -0.12 0.24 0.00 -2.93 0.00 0.00 61.98 59.65 2kn9 s VAL 78 Cb -0.33 -3.05 0.37 0.00 -1.53 0.00 0.00 36.38 31.84 2kn9 s VAL 78 CO 0.41 0.45 1.41 0.00 -3.33 0.00 0.00 175.10 174.03 2kn9 n ALA 79 N 3.72 2.46 -2.60 1.54 0.00 -1.26 -4.86 120.51 119.51 2kn9 n ALA 79 Ca -0.17 -0.79 -0.43 0.00 0.00 0.00 0.00 53.44 52.05 2kn9 n ALA 79 Cb 0.52 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.74 3.75 0.00 0.00 3.00 -1.26 -5.24 118.95 117.46 2kn9 s ARG 80 Ca 0.34 0.55 0.00 0.00 -1.00 0.00 0.00 55.73 55.62 2kn9 s ARG 80 Cb 0.21 -3.87 0.00 0.00 0.00 0.00 0.00 34.95 31.29 2kn9 s ARG 80 CO 0.31 -1.21 0.24 -1.13 0.00 0.00 0.00 175.30 173.51