#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw9 n GLY 2 N 0.00 -0.98 3.59 -5.12 0.00 -1.26 -5.10 105.19 96.31 2kw9 n GLY 2 Ca 0.00 0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 2kw9 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kw9 s HIS 3 N 0.00 1.60 -0.09 1.61 4.02 -1.26 -4.94 115.29 116.23 2kw9 s HIS 3 Ca 0.00 0.69 -0.29 0.00 1.02 0.00 0.00 55.06 56.47 2kw9 s HIS 3 Cb 0.00 -4.04 -0.05 0.00 -1.02 0.00 0.00 32.58 27.47 2kw9 s HIS 3 CO 0.00 -3.11 1.65 -1.01 1.02 0.00 0.00 174.74 173.29 2kw9 s HIS 4 N 7.79 2.01 0.63 1.40 4.02 -1.26 -4.97 115.29 124.90 2kw9 s HIS 4 Ca 0.84 0.30 -0.14 0.00 1.02 0.00 0.00 55.06 57.08 2kw9 s HIS 4 Cb -0.23 -3.92 -0.02 0.00 -1.02 0.00 0.00 32.58 27.39 2kw9 s HIS 4 CO 0.32 -3.61 1.05 -3.38 1.02 0.00 0.00 174.74 170.14 2kw9 s HIS 5 N 4.37 3.09 0.21 1.40 0.00 -1.26 -5.09 115.29 118.01 2kw9 s HIS 5 Ca 0.73 1.46 0.07 0.00 -3.00 0.00 0.00 55.06 54.33 2kw9 s HIS 5 Cb -0.31 -2.93 -0.05 0.00 -4.00 0.00 0.00 32.58 25.29 2kw9 s HIS 5 CO 0.29 -1.09 -0.12 -3.38 -1.00 0.00 0.00 174.74 169.44 2kw9 s HIS 6 N -2.73 1.70 -0.25 0.38 0.00 -1.26 -5.16 115.29 107.97 2kw9 s HIS 6 Ca 0.61 -0.62 -0.13 0.00 -3.00 0.00 0.00 55.06 51.92 2kw9 s HIS 6 Cb -0.15 -0.84 0.08 0.00 -4.00 0.00 0.00 32.58 27.68 2kw9 s HIS 6 CO 0.44 0.31 0.59 -3.38 -1.00 0.00 0.00 174.74 171.70 2kw9 s HIS 7 N -3.03 -0.96 0.15 0.38 0.00 -1.26 -5.15 115.29 105.42 2kw9 s HIS 7 Ca 0.23 1.89 -0.30 0.00 -3.00 0.00 0.00 55.06 53.89 2kw9 s HIS 7 Cb 0.01 0.54 -0.07 0.00 -4.00 0.00 0.00 32.58 29.06 2kw9 s HIS 7 CO 0.07 -0.49 1.01 -3.38 -1.00 0.00 0.00 174.74 170.94 2kw9 s HIS 8 N 1.81 3.76 -0.05 0.38 0.00 -1.26 -5.06 115.29 114.87 2kw9 s HIS 8 Ca -0.09 1.74 -0.00 0.00 -3.00 0.00 0.00 55.06 53.71 2kw9 s HIS 8 Cb -0.07 -3.12 0.03 0.00 -4.00 0.00 0.00 32.58 25.41 2kw9 s HIS 8 CO -0.17 -0.04 -0.01 -1.54 -1.00 0.00 0.00 174.74 171.97 2kw9 s SER 9 N -0.16 1.09 -0.10 7.38 1.04 -1.26 -5.14 113.70 116.55 2kw9 s SER 9 Ca 0.47 -0.08 -0.20 0.00 0.48 0.00 0.00 55.95 56.62 2kw9 s SER 9 Cb -0.26 -0.38 0.05 0.00 0.10 0.00 0.00 66.02 65.53 2kw9 s SER 9 CO 0.32 -0.13 0.49 -2.28 0.98 0.00 0.00 173.24 172.62 2kw9 s HIS 10 N 1.42 -0.47 0.06 5.02 5.65 -1.26 -5.18 115.29 120.53 2kw9 s HIS 10 Ca -0.04 0.97 0.06 0.00 0.25 0.00 0.00 55.06 56.30 2kw9 s HIS 10 Cb -0.13 0.22 -0.04 0.00 -1.18 0.00 0.00 32.58 31.45 2kw9 s HIS 10 CO -0.03 -0.39 -0.13 1.41 -0.65 0.00 0.00 174.74 174.95 2kw9 s MET 11 N -0.59 2.17 -0.34 2.88 -2.45 -1.26 -5.11 119.30 114.59 2kw9 s MET 11 Ca -0.07 -0.96 -0.01 0.00 -1.25 0.00 0.00 55.69 53.41 2kw9 s MET 11 Cb -0.03 -2.29 0.12 0.00 1.25 0.00 0.00 34.83 33.88 2kw9 s MET 11 CO 0.04 0.54 0.17 0.45 1.05 0.00 0.00 175.02 177.27 2kw9 s SER 12 N -1.75 3.51 -0.24 1.11 0.15 -1.26 -5.11 113.70 110.11 2kw9 s SER 12 Ca 0.18 -1.93 0.02 0.00 0.70 0.00 0.00 55.95 54.91 2kw9 s SER 12 Cb -0.11 -0.64 0.05 0.00 -1.71 0.00 0.00 66.02 63.61 2kw9 s SER 12 CO 0.09 -0.36 -0.12 0.42 1.20 0.00 0.00 173.24 174.47 2kw9 s THR 13 N 1.30 2.24 -0.07 6.45 -4.23 -1.26 -5.10 115.64 114.97 2kw9 s THR 13 Ca 0.14 -1.43 -0.30 0.00 -1.18 0.00 0.00 61.69 58.92 2kw9 s THR 13 Cb -0.20 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 2kw9 s THR 13 CO -0.14 0.11 1.33 -2.16 -0.54 0.00 0.00 174.62 173.21 2kw9 s PRO 14 N 1.17 4.28 0.72 3.99 0.04 -1.26 -5.03 135.00 138.91 2kw9 s PRO 14 Ca -0.05 1.82 -0.07 0.00 0.04 0.00 0.00 61.00 62.74 2kw9 s PRO 14 Cb -0.18 -3.66 0.07 0.00 0.04 0.00 0.00 34.50 30.77 2kw9 s PRO 14 CO -0.07 -0.60 1.04 -0.48 0.04 0.00 0.00 177.00 176.93 2kw9 s LEU 15 N 2.80 2.79 0.30 -3.56 0.05 -1.26 -5.11 118.68 114.71 2kw9 s LEU 15 Ca 0.60 0.45 0.08 0.00 0.05 0.00 0.00 54.13 55.31 2kw9 s LEU 15 Cb -0.27 -3.06 -0.04 0.00 -2.05 0.00 0.00 46.19 40.77 2kw9 s LEU 15 CO 0.22 -1.67 0.12 0.42 -0.55 0.00 0.00 176.35 174.90 2kw9 s THR 16 N -3.29 3.43 0.00 5.48 -4.23 -1.26 -5.11 115.64 110.65 2kw9 s THR 16 Ca 0.61 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 2kw9 s THR 16 Cb -0.10 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.71 2kw9 s THR 16 CO 0.45 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.88 2kw9 n GLY 17 N -1.10 4.67 2.53 3.99 0.00 -1.26 -5.12 105.19 108.90 2kw9 n GLY 17 Ca -0.05 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 2kw9 n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kw9 s LYS 18 N -3.82 0.56 -0.17 1.61 -2.85 -1.26 -5.12 119.74 108.69 2kw9 s LYS 18 Ca 0.00 -1.22 -0.24 0.00 -1.00 0.00 0.00 55.97 53.51 2kw9 s LYS 18 Cb 0.00 -1.16 -0.02 0.00 -2.06 0.00 0.00 37.83 34.59 2kw9 s LYS 18 CO 0.00 -1.21 0.80 -1.25 0.10 0.00 0.00 175.35 173.79 2kw9 s PRO 19 N 1.16 4.28 -1.17 1.78 0.04 -1.26 -4.98 135.00 134.85 2kw9 s PRO 19 Ca 0.18 0.95 -0.18 0.00 0.04 0.00 0.00 61.00 61.99 2kw9 s PRO 19 Cb -0.21 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 2kw9 s PRO 19 CO 0.00 -0.31 2.05 0.41 0.04 0.00 0.00 177.00 179.19 2kw9 n GLY 20 N 3.52 3.35 3.27 0.56 0.00 -1.26 -4.86 105.19 109.77 2kw9 n GLY 20 Ca 0.03 -1.41 -0.15 0.00 0.00 0.00 0.00 46.02 44.50 2kw9 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kw9 s ALA 21 N 4.46 1.32 0.02 4.61 0.00 -1.26 -5.07 121.76 125.83 2kw9 s ALA 21 Ca 0.53 -1.78 0.04 0.00 0.00 0.00 0.00 51.96 50.75 2kw9 s ALA 21 Cb 0.12 1.39 -0.02 0.00 0.00 0.00 0.00 23.12 24.62 2kw9 s ALA 21 CO 0.02 -0.64 -0.14 -0.51 0.00 0.00 0.00 175.76 174.49 2kw9 s LEU 22 N -3.23 2.13 0.54 0.00 1.43 -1.26 -5.14 118.68 113.14 2kw9 s LEU 22 Ca 0.38 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 52.90 2kw9 s LEU 22 Cb 0.04 -0.61 -0.06 0.00 0.03 0.00 0.00 46.19 45.60 2kw9 s LEU 22 CO 0.18 0.07 1.12 -2.16 0.23 0.00 0.00 176.35 175.79 2kw9 s PRO 23 N -0.88 3.37 0.18 1.29 0.04 -1.26 -4.98 135.00 132.76 2kw9 s PRO 23 Ca 0.02 1.57 -0.09 0.00 0.04 0.00 0.00 61.00 62.55 2kw9 s PRO 23 Cb -0.07 -2.01 0.06 0.00 0.04 0.00 0.00 34.50 32.52 2kw9 s PRO 23 CO 0.01 -0.83 1.61 0.00 0.04 0.00 0.00 177.00 177.83 2kw9 h ALA 24 N 1.16 0.78 -1.38 8.56 0.00 -2.07 -3.33 119.26 122.98 2kw9 h ALA 24 Ca -0.50 -0.35 -0.77 0.00 0.00 0.00 0.00 54.91 53.29 2kw9 h ALA 24 Cb 1.26 -0.19 -0.19 0.00 0.00 0.00 0.00 17.79 18.66 2kw9 h ALA 24 CO 0.57 0.67 1.53 0.09 0.00 0.00 0.00 179.25 182.11 2kw9 n ASN 25 N -4.14 5.45 0.07 0.00 4.13 -1.26 -4.75 115.26 114.75 2kw9 n ASN 25 Ca 0.01 -3.15 -0.06 0.00 1.68 0.00 0.00 54.58 53.06 2kw9 n ASN 25 Cb 0.40 -1.44 0.09 0.00 -1.54 0.00 0.00 39.78 37.30 2kw9 n ASN 25 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2kw9 h LEU 26 N 7.54 0.34 -0.89 3.41 3.38 -1.96 -3.04 115.31 124.09 2kw9 h LEU 26 Ca 0.32 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 2kw9 h LEU 26 Cb 0.68 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2kw9 h LEU 26 CO 1.46 0.88 -0.33 -0.78 0.09 0.00 0.00 178.44 179.76 2kw9 h ASP 27 N 0.22 0.00 1.14 -0.43 3.58 -1.95 -2.43 116.42 116.55 2kw9 h ASP 27 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2kw9 h ASP 27 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2kw9 h ASP 27 CO 0.10 0.33 0.00 0.44 -2.88 0.00 0.00 179.24 177.23 2kw9 h ASP 28 N 0.00 0.00 -3.60 2.28 3.32 -1.92 -3.44 116.42 113.06 2kw9 h ASP 28 Ca -0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.53 2kw9 h ASP 28 Cb 0.90 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 2kw9 h ASP 28 CO 0.04 0.00 0.29 -0.04 -1.72 0.00 0.00 179.24 177.81 2kw9 s MET 29 N -3.24 4.70 0.71 3.56 -1.94 -0.92 -5.05 119.30 117.12 2kw9 s MET 29 Ca 0.07 1.34 -0.14 0.00 -1.71 0.00 0.00 55.69 55.25 2kw9 s MET 29 Cb 0.10 -3.31 0.03 0.00 2.01 0.00 0.00 34.83 33.66 2kw9 s MET 29 CO 0.51 0.42 1.14 0.15 -0.01 0.00 0.00 175.02 177.23 2kw9 s LYS 30 N -0.70 2.44 0.25 2.03 1.02 -1.26 -4.75 119.74 118.77 2kw9 s LYS 30 Ca 0.41 1.50 -0.03 0.00 0.02 0.00 0.00 55.97 57.87 2kw9 s LYS 30 Cb -0.24 -1.90 0.45 0.00 -0.52 0.00 0.00 37.83 35.63 2kw9 s LYS 30 CO 0.29 -1.55 1.79 0.28 -0.92 0.00 0.00 175.35 175.24 2kw9 h VAL 31 N -0.28 0.84 -0.25 3.17 2.07 -1.96 0.77 116.25 120.62 2kw9 h VAL 31 Ca -0.47 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 2kw9 h VAL 31 Cb 1.26 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2kw9 h VAL 31 CO 0.52 0.13 -0.02 0.00 0.02 0.00 0.00 177.57 178.22 2kw9 h ALA 32 N 1.49 1.52 -0.09 1.67 0.00 -1.98 -0.36 119.26 121.51 2kw9 h ALA 32 Ca 0.42 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2kw9 h ALA 32 Cb 0.47 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2kw9 h ALA 32 CO -0.29 0.35 -0.10 0.93 0.00 0.00 0.00 179.25 180.14 2kw9 h GLU 33 N 0.36 0.22 -0.48 0.00 4.39 -1.27 -1.11 114.58 116.70 2kw9 h GLU 33 Ca 0.08 -0.12 0.04 0.00 0.34 0.00 0.00 59.36 59.70 2kw9 h GLU 33 Cb 0.27 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 2kw9 h GLU 33 CO 0.01 0.67 0.24 -0.07 -1.16 0.00 0.00 179.01 178.69 2kw9 h LEU 34 N -0.21 0.34 -1.39 1.33 3.38 -0.92 -0.03 115.31 117.80 2kw9 h LEU 34 Ca 0.01 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2kw9 h LEU 34 Cb 0.64 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2kw9 h LEU 34 CO 0.02 0.24 -0.09 0.11 0.09 0.00 0.00 178.44 178.81 2kw9 h LYS 35 N 0.47 0.29 -0.03 1.13 1.57 -1.08 -1.40 116.57 117.52 2kw9 h LYS 35 Ca 0.21 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2kw9 h LYS 35 Cb 0.12 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 2kw9 h LYS 35 CO -0.15 0.39 0.00 0.37 -0.57 0.00 0.00 179.45 179.50 2kw9 h GLN 36 N 0.28 0.04 -0.61 3.15 5.75 -0.37 -1.01 115.11 122.35 2kw9 h GLN 36 Ca 0.06 -0.01 0.15 0.00 -0.15 0.00 0.00 58.65 58.69 2kw9 h GLN 36 Cb 0.34 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 2kw9 h GLN 36 CO 0.02 0.32 0.42 0.93 -2.65 0.00 0.00 178.83 177.87 2kw9 h GLU 37 N -0.24 0.17 0.32 1.69 4.39 -0.70 -1.92 114.58 118.29 2kw9 h GLU 37 Ca 0.01 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2kw9 h GLU 37 Cb 0.30 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2kw9 h GLU 37 CO 0.00 0.11 -0.15 -0.07 -1.16 0.00 0.00 179.01 177.74 2kw9 h LEU 38 N 0.18 -0.36 -1.58 1.33 3.38 -0.99 -3.32 115.31 113.95 2kw9 h LEU 38 Ca 0.29 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.31 2kw9 h LEU 38 Cb 0.91 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2kw9 h LEU 38 CO -0.05 -0.02 0.33 0.07 0.09 0.00 0.00 178.44 178.86 2kw9 h LYS 39 N -0.90 0.54 0.00 1.13 2.10 -0.97 0.13 116.57 118.60 2kw9 h LYS 39 Ca -0.04 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.56 2kw9 h LYS 39 Cb 0.33 -0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 31.53 2kw9 h LYS 39 CO 0.07 0.36 -0.06 -0.07 -2.00 0.00 0.00 179.45 177.75 2kw9 h LEU 40 N 0.56 0.00 -3.45 7.07 3.38 -1.52 -2.06 115.31 119.28 2kw9 h LEU 40 Ca 0.20 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.98 2kw9 h LEU 40 Cb 0.11 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.74 2kw9 h LEU 40 CO -0.05 0.06 0.07 0.54 0.09 0.00 0.00 178.44 179.15 2kw9 n ARG 41 N -3.37 2.29 -0.89 1.13 1.74 0.29 -4.94 116.66 112.91 2kw9 n ARG 41 Ca -0.02 -3.08 0.00 0.00 -0.77 0.00 0.00 57.85 53.99 2kw9 n ARG 41 Cb 0.21 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 2kw9 n ARG 41 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kw9 n SER 42 N -0.92 -2.38 -4.78 0.55 2.88 -0.78 -4.99 113.62 103.20 2kw9 n SER 42 Ca 0.35 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.51 2kw9 n SER 42 Cb 1.12 -1.62 -0.06 0.00 -0.75 0.00 0.00 64.21 62.90 2kw9 n SER 42 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2kw9 s LEU 43 N 0.00 4.47 0.40 2.46 1.43 -0.25 -4.93 118.68 122.25 2kw9 s LEU 43 Ca 0.00 1.68 -0.25 0.00 -1.03 0.00 0.00 54.13 54.53 2kw9 s LEU 43 Cb 0.00 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 2kw9 s LEU 43 CO 0.00 0.08 1.18 -2.16 0.23 0.00 0.00 176.35 175.68 2kw9 s PRO 44 N -1.62 4.07 -0.12 1.29 0.04 -1.26 -2.79 135.00 134.61 2kw9 s PRO 44 Ca 0.42 1.87 0.13 0.00 0.04 0.00 0.00 61.00 63.46 2kw9 s PRO 44 Cb -0.21 -2.70 0.58 0.00 0.04 0.00 0.00 34.50 32.21 2kw9 s PRO 44 CO 0.25 -0.32 1.44 1.33 0.04 0.00 0.00 177.00 179.74 2kw9 n VAL 45 N 0.12 1.63 -2.97 -0.36 0.24 -1.26 -4.79 118.33 110.93 2kw9 n VAL 45 Ca 0.04 -0.95 -0.44 0.00 -2.04 0.00 0.00 64.34 60.94 2kw9 n VAL 45 Cb 0.46 -0.08 -0.02 0.00 -1.47 0.00 0.00 33.84 32.73 2kw9 n VAL 45 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2kw9 s SER 46 N -0.73 6.67 0.06 -1.34 0.15 -1.26 -4.95 113.70 112.29 2kw9 s SER 46 Ca 0.40 -2.16 -0.27 0.00 0.70 0.00 0.00 55.95 54.62 2kw9 s SER 46 Cb 0.27 -2.38 0.09 0.00 -1.71 0.00 0.00 66.02 62.30 2kw9 s SER 46 CO 0.17 -1.00 1.18 -0.83 1.20 0.00 0.00 173.24 173.96 2kw9 s GLY 47 N 3.44 -0.18 0.55 9.45 0.00 -1.26 -5.01 107.32 114.32 2kw9 s GLY 47 Ca 0.32 0.17 0.01 0.00 0.00 0.00 0.00 44.72 45.22 2kw9 s GLY 47 CO -0.09 2.22 0.78 -0.51 0.00 0.00 0.00 173.10 175.50 2kw9 s THR 48 N -2.37 2.65 0.19 0.90 -4.23 -1.26 -4.80 115.64 106.73 2kw9 s THR 48 Ca 0.20 -0.66 -0.21 0.00 -1.18 0.00 0.00 61.69 59.84 2kw9 s THR 48 Cb 0.01 -3.00 0.13 0.00 1.34 0.00 0.00 72.50 70.98 2kw9 s THR 48 CO 0.00 0.00 1.58 0.50 -0.54 0.00 0.00 174.62 176.16 2kw9 h LYS 49 N 0.05 -0.13 -0.34 3.99 1.63 -2.00 0.11 116.57 119.87 2kw9 h LYS 49 Ca -0.42 0.01 -0.15 0.00 -0.85 0.00 0.00 60.65 59.24 2kw9 h LYS 49 Cb 1.30 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.95 2kw9 h LYS 49 CO 0.52 -0.09 -0.37 1.15 -3.45 0.00 0.00 179.45 177.21 2kw9 h THR 50 N -0.14 1.28 -0.33 1.00 2.02 -2.00 -3.09 112.91 111.65 2kw9 h THR 50 Ca 0.24 -1.54 0.06 0.00 0.77 0.00 0.00 66.41 65.94 2kw9 h THR 50 Cb 0.56 1.47 -0.05 0.00 -1.74 0.00 0.00 68.15 68.39 2kw9 h THR 50 CO -0.74 0.51 0.02 -0.08 0.37 0.00 0.00 175.52 175.60 2kw9 h GLU 51 N 0.65 0.12 -0.48 6.66 4.22 -1.60 -1.55 114.58 122.61 2kw9 h GLU 51 Ca 0.05 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.54 2kw9 h GLU 51 Cb 0.96 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 2kw9 h GLU 51 CO 0.09 0.08 0.21 -0.07 -2.18 0.00 0.00 179.01 177.14 2kw9 h LEU 52 N 0.12 0.26 0.07 1.64 3.38 -0.86 0.18 115.31 120.11 2kw9 h LEU 52 Ca 0.16 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.19 2kw9 h LEU 52 Cb 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2kw9 h LEU 52 CO -0.25 0.19 -0.19 0.40 0.09 0.00 0.00 178.44 178.68 2kw9 h ILE 53 N 0.41 0.56 0.00 1.22 2.04 -1.36 -0.98 117.51 119.40 2kw9 h ILE 53 Ca 0.22 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.01 2kw9 h ILE 53 Cb 0.18 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2kw9 h ILE 53 CO -0.19 0.00 -0.34 -0.33 0.00 0.00 0.00 178.15 177.29 2kw9 h GLU 54 N -0.35 0.00 -0.40 2.37 5.08 -0.97 -2.61 114.58 117.70 2kw9 h GLU 54 Ca 0.04 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 2kw9 h GLU 54 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2kw9 h GLU 54 CO -0.13 0.34 -0.29 -0.09 -1.00 0.00 0.00 179.01 177.84 2kw9 h ARG 55 N 0.00 0.86 -0.30 2.33 2.43 -0.27 -1.13 114.38 118.30 2kw9 h ARG 55 Ca -0.00 -0.40 0.04 0.00 -0.81 0.00 0.00 59.98 58.81 2kw9 h ARG 55 Cb 0.68 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 2kw9 h ARG 55 CO 0.04 1.04 0.07 -0.07 -1.51 0.00 0.00 179.97 179.54 2kw9 h LEU 56 N 0.73 0.04 -0.74 3.80 3.38 -0.82 -2.24 115.31 119.46 2kw9 h LEU 56 Ca 0.08 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2kw9 h LEU 56 Cb 0.85 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 2kw9 h LEU 56 CO 0.07 0.06 0.41 0.03 0.09 0.00 0.00 178.44 179.10 2kw9 h ARG 57 N 0.18 1.02 -0.91 1.13 3.08 -1.34 -1.31 114.38 116.24 2kw9 h ARG 57 Ca 0.14 -0.12 0.10 0.00 0.07 0.00 0.00 59.98 60.17 2kw9 h ARG 57 Cb 0.14 -0.20 -0.08 0.00 0.08 0.00 0.00 29.97 29.91 2kw9 h ARG 57 CO -0.17 0.76 0.55 0.00 -1.07 0.00 0.00 179.97 180.04 2kw9 h ALA 58 N 1.21 1.33 0.08 0.04 0.00 -0.83 0.45 119.26 121.54 2kw9 h ALA 58 Ca 0.26 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2kw9 h ALA 58 Cb 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2kw9 h ALA 58 CO -0.04 0.19 -0.04 -0.92 0.00 0.00 0.00 179.25 178.44 2kw9 h TYR 59 N 0.92 -0.10 -0.15 0.00 3.20 -1.14 -2.87 116.97 116.83 2kw9 h TYR 59 Ca 0.44 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.35 2kw9 h TYR 59 Cb 0.38 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2kw9 h TYR 59 CO -0.03 0.35 0.11 1.96 -1.64 0.00 0.00 178.16 178.91 2kw9 h GLN 60 N -0.60 0.00 -0.12 1.82 1.08 -0.73 -1.62 115.11 114.94 2kw9 h GLN 60 Ca -0.01 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.09 2kw9 h GLN 60 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2kw9 h GLN 60 CO 0.02 0.00 -0.29 0.22 -0.95 0.00 0.00 178.83 177.83 2kw9 h ASP 61 N 0.00 0.46 1.83 1.46 3.58 -0.13 -2.86 116.42 120.76 2kw9 h ASP 61 Ca 0.07 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 56.94 2kw9 h ASP 61 Cb 0.29 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2kw9 h ASP 61 CO -0.00 0.96 -0.03 0.06 -2.88 0.00 0.00 179.24 177.35 2kw9 h GLN 62 N -0.01 0.00 0.00 0.28 3.07 -1.18 -3.19 115.11 114.07 2kw9 h GLN 62 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.67 2kw9 h GLN 62 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.45 2kw9 h GLN 62 CO 0.06 0.00 -1.18 0.44 0.09 0.00 0.00 178.83 178.25 2kw9 n ILE 63 N -2.87 0.85 -3.94 1.86 -5.35 -0.66 -4.89 119.36 104.35 2kw9 n ILE 63 Ca 0.04 -0.61 -0.35 0.00 -0.27 0.00 0.00 62.75 61.56 2kw9 n ILE 63 Cb 0.50 -0.50 -0.08 0.00 -1.74 0.00 0.00 39.64 37.82 2kw9 n ILE 63 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2kw9 s SER 64 N -5.52 5.92 -0.00 7.28 0.15 -1.08 -5.06 113.70 115.39 2kw9 s SER 64 Ca -0.02 0.22 -0.33 0.00 0.70 0.00 0.00 55.95 56.53 2kw9 s SER 64 Cb 0.09 -1.97 -0.11 0.00 -1.71 0.00 0.00 66.02 62.32 2kw9 s SER 64 CO 0.80 0.25 1.86 -2.65 1.20 0.00 0.00 173.24 174.70 2kw9 n PRO 65 N 3.01 2.40 -2.01 5.44 -0.02 -1.26 -4.85 135.00 137.70 2kw9 n PRO 65 Ca -0.17 0.88 -0.43 0.00 -2.02 0.00 0.00 63.50 61.76 2kw9 n PRO 65 Cb 0.53 -2.74 -0.03 0.00 -0.02 0.00 0.00 33.50 31.24 2kw9 n PRO 65 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2kw9 s VAL 66 N 3.55 3.55 -0.75 -1.45 -7.23 -1.26 -4.91 120.40 111.89 2kw9 s VAL 66 Ca 0.89 0.61 -0.26 0.00 -1.81 0.00 0.00 61.98 61.41 2kw9 s VAL 66 Cb -0.61 -3.58 -0.06 0.00 0.56 0.00 0.00 36.38 32.69 2kw9 s VAL 66 CO 0.46 -0.26 2.07 -2.84 -0.31 0.00 0.00 175.10 174.21 2kw9 s PRO 67 N 4.95 2.34 0.00 4.82 0.02 -1.26 -4.18 135.00 141.69 2kw9 s PRO 67 Ca 0.77 0.30 0.00 0.00 0.02 0.00 0.00 61.00 62.09 2kw9 s PRO 67 Cb -0.27 -4.77 0.00 0.00 0.02 0.00 0.00 34.50 29.48 2kw9 s PRO 67 CO 0.31 -3.40 0.00 0.41 -0.33 0.00 0.00 177.00 174.00 2kw9 n GLY 68 N 6.43 1.29 0.82 0.52 0.00 -1.26 -4.87 105.19 108.11 2kw9 n GLY 68 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2kw9 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kw9 n ALA 69 N 0.00 -1.47 -1.69 4.61 0.00 -1.26 -4.91 120.51 115.79 2kw9 n ALA 69 Ca 0.00 0.24 -0.40 0.00 0.00 0.00 0.00 53.44 53.28 2kw9 n ALA 69 Cb 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 19.45 18.49 2kw9 n ALA 69 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kw9 n PRO 70 N -1.54 1.75 -2.71 0.00 -0.02 -1.26 -4.98 135.00 126.24 2kw9 n PRO 70 Ca 0.00 0.63 -0.38 0.00 -2.02 0.00 0.00 63.50 61.73 2kw9 n PRO 70 Cb 0.13 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.18 2kw9 n PRO 70 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2kw9 s LYS 71 N -2.36 4.63 0.03 -0.52 0.00 -1.26 -5.06 119.74 115.20 2kw9 s LYS 71 Ca 0.64 1.45 -0.13 0.00 0.00 0.00 0.00 55.97 57.94 2kw9 s LYS 71 Cb -0.49 -2.96 -0.06 0.00 0.00 0.00 0.00 37.83 34.32 2kw9 s LYS 71 CO 0.55 0.30 0.40 0.00 0.00 0.00 0.00 175.35 176.60 2kw9 s ALA 72 N -1.44 3.71 -0.42 0.59 0.00 -1.26 -5.02 121.76 117.93 2kw9 s ALA 72 Ca 0.48 -0.28 -0.28 0.00 0.00 0.00 0.00 51.96 51.88 2kw9 s ALA 72 Cb -0.23 -2.34 -0.07 0.00 0.00 0.00 0.00 23.12 20.48 2kw9 s ALA 72 CO 0.29 0.51 2.35 -2.30 0.00 0.00 0.00 175.76 176.61 2kw9 n PRO 73 N 1.47 1.29 -2.45 0.00 -0.02 -1.26 -4.94 135.00 129.09 2kw9 n PRO 73 Ca -0.12 0.19 -0.41 0.00 -2.02 0.00 0.00 63.50 61.15 2kw9 n PRO 73 Cb 0.52 -3.21 -0.04 0.00 -0.02 0.00 0.00 33.50 30.76 2kw9 n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kw9 s ALA 74 N 10.43 3.41 -2.23 3.55 0.00 -1.26 -5.37 121.76 130.28 2kw9 s ALA 74 Ca 1.02 0.91 0.30 0.00 0.00 0.00 0.00 51.96 54.19 2kw9 s ALA 74 Cb -0.34 -3.36 1.51 0.00 0.00 0.00 0.00 23.12 20.94 2kw9 s ALA 74 CO 0.32 -0.24 2.01 0.00 0.00 0.00 0.00 175.76 177.85