#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 -2.22 2.60 3.03 0.00 -1.26 -4.92 105.19 102.41 2kw9 n GLY 2 Ca 0.00 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.45 0.87 -0.01 1.61 0.09 -1.26 -5.12 115.29 109.02 2kw9 s HIS 3 Ca 0.00 -1.30 -0.30 0.00 -0.00 0.00 0.00 55.06 53.46 2kw9 s HIS 3 Cb 0.00 -1.19 -0.06 0.00 -0.00 0.00 0.00 32.58 31.33 2kw9 s HIS 3 CO 0.00 -0.84 1.49 -1.01 -0.00 0.00 0.00 174.74 174.38 2kw9 s HIS 4 N 1.74 2.60 -0.33 1.40 4.02 -1.26 -4.99 115.29 118.47 2kw9 s HIS 4 Ca 0.11 0.61 -0.07 0.00 1.02 0.00 0.00 55.06 56.72 2kw9 s HIS 4 Cb -0.18 -3.76 0.03 0.00 -1.02 0.00 0.00 32.58 27.65 2kw9 s HIS 4 CO -0.27 -2.96 0.11 -1.01 1.02 0.00 0.00 174.74 171.63 2kw9 s HIS 5 N 2.83 3.22 -0.30 1.40 0.09 -1.26 -5.00 115.29 116.26 2kw9 s HIS 5 Ca 0.67 -1.20 -0.17 0.00 -0.00 0.00 0.00 55.06 54.36 2kw9 s HIS 5 Cb -0.33 -2.29 0.17 0.00 -0.00 0.00 0.00 32.58 30.13 2kw9 s HIS 5 CO 0.27 -0.67 1.20 -1.58 -0.00 0.00 0.00 174.74 173.97 2kw9 s HIS 6 N 1.46 -0.13 0.29 1.40 5.65 -1.26 -5.19 115.29 117.51 2kw9 s HIS 6 Ca 0.00 0.12 0.05 0.00 0.25 0.00 0.00 55.06 55.48 2kw9 s HIS 6 Cb -0.19 0.04 -0.06 0.00 -1.18 0.00 0.00 32.58 31.19 2kw9 s HIS 6 CO 0.03 -0.07 0.01 -1.01 -0.65 0.00 0.00 174.74 173.05 2kw9 s HIS 7 N 2.99 1.90 -0.27 3.88 0.09 -1.26 -5.15 115.29 117.46 2kw9 s HIS 7 Ca 0.01 -0.86 -0.05 0.00 -0.00 0.00 0.00 55.06 54.16 2kw9 s HIS 7 Cb -0.06 -1.17 0.15 0.00 -0.00 0.00 0.00 32.58 31.49 2kw9 s HIS 7 CO -0.11 0.10 0.55 -3.38 -0.00 0.00 0.00 174.74 171.90 2kw9 s HIS 8 N -3.21 -1.27 -0.43 1.40 -0.00 -1.26 -5.12 115.29 105.40 2kw9 s HIS 8 Ca 0.33 1.70 0.02 0.00 -0.00 0.00 0.00 55.06 57.11 2kw9 s HIS 8 Cb 0.07 0.50 0.15 0.00 -0.00 0.00 0.00 32.58 33.29 2kw9 s HIS 8 CO 0.13 -0.73 0.27 -1.54 -0.00 0.00 0.00 174.74 172.87 2kw9 s SER 9 N 2.78 3.13 -0.09 7.38 1.04 -1.26 -5.09 113.70 121.58 2kw9 s SER 9 Ca 0.08 -2.68 -0.30 0.00 0.48 0.00 0.00 55.95 53.53 2kw9 s SER 9 Cb -0.14 -0.78 0.10 0.00 0.10 0.00 0.00 66.02 65.29 2kw9 s SER 9 CO -0.18 -0.25 0.82 -1.38 0.98 0.00 0.00 173.24 173.23 2kw9 s HIS 10 N 0.36 -0.52 0.13 5.02 0.00 -1.26 -5.18 115.29 113.84 2kw9 s HIS 10 Ca 0.21 0.88 0.09 0.00 -3.00 0.00 0.00 55.06 53.24 2kw9 s HIS 10 Cb -0.17 0.43 -0.04 0.00 -4.00 0.00 0.00 32.58 28.80 2kw9 s HIS 10 CO -0.05 -0.50 -0.21 0.00 -1.00 0.00 0.00 174.74 172.99 2kw9 s MET 11 N -1.25 1.24 -0.19 -0.38 0.00 -1.26 -5.13 119.30 112.34 2kw9 s MET 11 Ca -0.06 -1.30 -0.04 0.00 0.00 0.00 0.00 55.69 54.29 2kw9 s MET 11 Cb -0.00 -1.48 0.06 0.00 0.00 0.00 0.00 34.83 33.41 2kw9 s MET 11 CO 0.05 0.33 0.08 -1.12 0.00 0.00 0.00 175.02 174.36 2kw9 s SER 12 N -2.24 2.61 -0.15 -1.18 0.01 -1.26 -5.14 113.70 106.35 2kw9 s SER 12 Ca 0.12 -0.73 -0.06 0.00 1.31 0.00 0.00 55.95 56.58 2kw9 s SER 12 Cb -0.08 -0.35 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 2kw9 s SER 12 CO 0.06 -0.35 0.08 0.42 0.41 0.00 0.00 173.24 173.86 2kw9 s THR 13 N 2.05 5.00 0.27 1.44 -4.23 -1.26 -5.10 115.64 113.81 2kw9 s THR 13 Ca 0.02 0.03 -0.29 0.00 -1.18 0.00 0.00 61.69 60.26 2kw9 s THR 13 Cb -0.16 -3.20 -0.09 0.00 1.34 0.00 0.00 72.50 70.38 2kw9 s THR 13 CO -0.11 0.54 1.15 -2.84 -0.54 0.00 0.00 174.62 172.82 2kw9 s PRO 14 N -0.32 4.57 -0.21 3.99 0.02 -1.26 -5.00 135.00 136.80 2kw9 s PRO 14 Ca 0.09 1.89 -0.15 0.00 0.02 0.00 0.00 61.00 62.85 2kw9 s PRO 14 Cb -0.12 -3.18 -0.19 0.00 0.02 0.00 0.00 34.50 31.03 2kw9 s PRO 14 CO 0.01 0.09 0.11 1.28 -0.33 0.00 0.00 177.00 178.17 2kw9 n LEU 15 N 1.34 2.13 -4.45 -5.54 7.99 -1.26 -4.97 117.00 112.23 2kw9 n LEU 15 Ca -0.00 0.32 -0.32 0.00 -0.01 0.00 0.00 56.01 56.00 2kw9 n LEU 15 Cb 0.44 -0.97 -0.13 0.00 -0.11 0.00 0.00 43.42 42.65 2kw9 n LEU 15 CO 0.55 0.51 -0.48 -0.89 -1.51 0.00 0.00 177.39 175.57 2kw9 s THR 16 N -2.44 2.87 0.00 -5.08 2.01 -1.26 -5.05 115.64 106.69 2kw9 s THR 16 Ca -0.30 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 60.79 2kw9 s THR 16 Cb 0.08 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.45 2kw9 s THR 16 CO 0.61 0.50 0.00 0.61 -0.69 0.00 0.00 174.62 175.66 2kw9 n GLY 17 N 2.06 1.56 3.10 4.40 0.00 -1.26 -5.18 105.19 109.87 2kw9 n GLY 17 Ca -0.17 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.23 0.00 1.61 -2.85 -1.26 -5.17 119.74 112.30 2kw9 s LYS 18 Ca 0.00 0.71 0.00 0.00 -1.00 0.00 0.00 55.97 55.68 2kw9 s LYS 18 Cb 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 37.83 35.75 2kw9 s LYS 18 CO 0.00 -0.22 0.00 -0.35 0.10 0.00 0.00 175.35 174.88 2kw9 n PRO 19 N 4.78 0.71 -1.21 1.78 -0.04 -1.26 -4.67 135.00 135.08 2kw9 n PRO 19 Ca -0.16 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.26 2kw9 n PRO 19 Cb 0.52 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.96 2kw9 n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kw9 n GLY 20 N 5.00 0.61 2.14 0.55 0.00 -1.26 -4.84 105.19 107.39 2kw9 n GLY 20 Ca 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 46.02 45.10 2kw9 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kw9 n ALA 21 N 0.82 -1.26 -2.01 4.61 0.00 -1.26 -3.63 120.51 117.78 2kw9 n ALA 21 Ca -0.04 -0.64 -0.30 0.00 0.00 0.00 0.00 53.44 52.46 2kw9 n ALA 21 Cb 0.17 0.44 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2kw9 n ALA 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kw9 s LEU 22 N 0.00 3.41 0.65 0.00 1.43 -1.26 -5.05 118.68 117.85 2kw9 s LEU 22 Ca 0.11 1.27 -0.18 0.00 -1.03 0.00 0.00 54.13 54.30 2kw9 s LEU 22 Cb -0.02 -4.27 -0.02 0.00 0.03 0.00 0.00 46.19 41.91 2kw9 s LEU 22 CO 0.05 -0.74 1.13 -2.65 0.23 0.00 0.00 176.35 174.37 2kw9 n PRO 23 N -2.45 0.92 0.00 1.29 -0.02 -1.26 -4.94 135.00 128.55 2kw9 n PRO 23 Ca 0.04 0.37 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 2kw9 n PRO 23 Cb 0.54 -2.36 0.51 0.00 -0.02 0.00 0.00 33.50 32.17 2kw9 n PRO 23 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kw9 n ALA 24 N -1.99 2.74 -1.24 3.55 0.00 -1.26 -3.82 120.51 118.49 2kw9 n ALA 24 Ca 0.15 -0.19 0.02 0.00 0.00 0.00 0.00 53.44 53.42 2kw9 n ALA 24 Cb 0.48 -1.35 0.22 0.00 0.00 0.00 0.00 19.45 18.80 2kw9 n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kw9 n ASN 25 N -1.45 3.04 -0.27 0.00 4.13 -1.26 -4.79 115.26 114.66 2kw9 n ASN 25 Ca 0.07 -3.42 0.07 0.00 1.68 0.00 0.00 54.58 52.98 2kw9 n ASN 25 Cb 0.33 -0.58 0.18 0.00 -1.54 0.00 0.00 39.78 38.17 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 1.24 -0.33 -0.79 3.41 3.38 -1.96 0.46 115.31 120.72 2kw9 h LEU 26 Ca 0.12 0.20 -0.13 0.00 0.09 0.00 0.00 57.88 58.16 2kw9 h LEU 26 Cb 1.53 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 2kw9 h LEU 26 CO 0.29 -0.19 -0.58 -0.78 0.09 0.00 0.00 178.44 177.27 2kw9 h ASP 27 N 0.11 0.09 1.49 -0.43 3.58 -1.93 -2.98 116.42 116.34 2kw9 h ASP 27 Ca 0.44 -0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.77 2kw9 h ASP 27 Cb 0.81 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 2kw9 h ASP 27 CO -0.69 0.65 -0.34 -0.78 -2.88 0.00 0.00 179.24 175.20 2kw9 h ASP 28 N 0.06 0.00 -3.47 2.28 3.58 -0.83 -3.46 116.42 114.58 2kw9 h ASP 28 Ca -0.00 0.00 -0.40 0.00 0.42 0.00 0.00 57.03 57.05 2kw9 h ASP 28 Cb 1.04 0.00 0.18 0.00 1.72 0.00 0.00 39.33 42.27 2kw9 h ASP 28 CO 0.08 0.34 0.21 0.23 -2.88 0.00 0.00 179.24 177.22 2kw9 n MET 29 N -3.23 -2.47 -3.62 0.28 2.81 0.12 -5.06 117.12 105.94 2kw9 n MET 29 Ca 0.02 -1.80 -0.28 0.00 -1.81 0.00 0.00 57.70 53.83 2kw9 n MET 29 Cb 0.63 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.60 2kw9 n MET 29 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2kw9 s LYS 30 N -5.55 3.56 0.20 0.03 1.02 -1.26 -5.01 119.74 112.73 2kw9 s LYS 30 Ca 0.70 -0.23 -0.12 0.00 0.02 0.00 0.00 55.97 56.34 2kw9 s LYS 30 Cb -0.05 -2.80 0.24 0.00 -0.52 0.00 0.00 37.83 34.69 2kw9 s LYS 30 CO 0.52 0.38 1.69 0.28 -0.92 0.00 0.00 175.35 177.30 2kw9 h VAL 31 N 1.59 0.61 -0.61 3.17 2.07 -1.97 -1.55 116.25 119.56 2kw9 h VAL 31 Ca -0.48 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.07 2kw9 h VAL 31 Cb 1.19 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 2kw9 h VAL 31 CO 0.68 0.03 0.26 0.00 0.02 0.00 0.00 177.57 178.56 2kw9 h ALA 32 N 1.47 0.80 -0.28 1.67 0.00 -1.99 -0.57 119.26 120.36 2kw9 h ALA 32 Ca 0.28 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.32 2kw9 h ALA 32 Cb 0.43 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2kw9 h ALA 32 CO -0.42 -0.14 -0.11 0.93 0.00 0.00 0.00 179.25 179.51 2kw9 h GLU 33 N 0.46 -0.06 -0.29 0.00 4.39 -1.69 -1.41 114.58 115.99 2kw9 h GLU 33 Ca 0.30 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 2kw9 h GLU 33 Cb 0.33 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2kw9 h GLU 33 CO -0.27 -0.04 0.13 -0.07 -1.16 0.00 0.00 179.01 177.60 2kw9 h LEU 34 N -0.06 0.38 -1.13 1.33 3.38 -1.08 -2.66 115.31 115.48 2kw9 h LEU 34 Ca 0.14 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2kw9 h LEU 34 Cb 0.27 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 2kw9 h LEU 34 CO -0.32 0.41 0.60 0.11 0.09 0.00 0.00 178.44 179.33 2kw9 h LYS 35 N 0.33 0.95 0.11 1.13 1.57 -0.76 -1.43 116.57 118.46 2kw9 h LYS 35 Ca 0.10 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2kw9 h LYS 35 Cb 0.14 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2kw9 h LYS 35 CO -0.01 0.63 -0.05 1.96 -0.57 0.00 0.00 179.45 181.40 2kw9 h GLN 36 N 0.97 -0.14 0.00 3.15 1.08 -1.03 -0.54 115.11 118.61 2kw9 h GLN 36 Ca 0.43 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.63 2kw9 h GLN 36 Cb 0.35 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2kw9 h GLN 36 CO -0.18 0.11 -0.01 0.93 -0.95 0.00 0.00 178.83 178.72 2kw9 h GLU 37 N -0.37 0.00 0.15 1.46 5.08 -1.11 0.11 114.58 119.90 2kw9 h GLU 37 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2kw9 h GLU 37 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2kw9 h GLU 37 CO 0.02 0.01 -0.07 -0.07 -1.00 0.00 0.00 179.01 177.90 2kw9 h LEU 38 N 0.00 -0.17 -1.46 1.33 3.38 -1.05 -3.32 115.31 114.02 2kw9 h LEU 38 Ca -0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2kw9 h LEU 38 Cb 0.14 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2kw9 h LEU 38 CO 0.00 0.19 0.06 0.07 0.09 0.00 0.00 178.44 178.85 2kw9 h LYS 39 N -0.83 0.41 0.00 1.13 2.10 -0.72 0.17 116.57 118.83 2kw9 h LYS 39 Ca -0.02 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.55 2kw9 h LYS 39 Cb 0.16 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2kw9 h LYS 39 CO 0.03 0.40 -0.09 -0.07 -2.00 0.00 0.00 179.45 177.72 2kw9 h LEU 40 N 0.41 0.00 -3.38 7.07 3.38 -1.00 -1.96 115.31 119.83 2kw9 h LEU 40 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2kw9 h LEU 40 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2kw9 h LEU 40 CO -0.00 0.09 0.00 0.54 0.09 0.00 0.00 178.44 179.16 2kw9 n ARG 41 N -4.03 3.96 -1.11 1.13 1.74 0.20 -4.93 116.66 113.61 2kw9 n ARG 41 Ca -0.02 -2.98 -0.04 0.00 -0.77 0.00 0.00 57.85 54.04 2kw9 n ARG 41 Cb 0.18 -2.03 -0.02 0.00 -1.02 0.00 0.00 32.46 29.57 2kw9 n ARG 41 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2kw9 n SER 42 N 0.24 -4.61 -4.75 0.55 7.64 -0.74 -5.00 113.62 106.96 2kw9 n SER 42 Ca 0.25 0.10 -0.40 0.00 1.01 0.00 0.00 58.87 59.82 2kw9 n SER 42 Cb 1.02 -2.45 -0.05 0.00 -1.01 0.00 0.00 64.21 61.72 2kw9 n SER 42 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kw9 s LEU 43 N -0.88 4.52 -0.02 -3.43 1.43 0.34 -4.94 118.68 115.71 2kw9 s LEU 43 Ca 0.00 1.59 -0.30 0.00 -1.03 0.00 0.00 54.13 54.39 2kw9 s LEU 43 Cb 0.00 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 2kw9 s LEU 43 CO 0.00 0.08 1.20 -2.16 0.23 0.00 0.00 176.35 175.71 2kw9 s PRO 44 N -0.51 4.38 -0.07 1.29 0.04 -1.26 -3.16 135.00 135.70 2kw9 s PRO 44 Ca 0.39 1.71 0.04 0.00 0.04 0.00 0.00 61.00 63.17 2kw9 s PRO 44 Cb -0.22 -3.49 0.22 0.00 0.04 0.00 0.00 34.50 31.05 2kw9 s PRO 44 CO 0.25 -0.38 0.88 1.33 0.04 0.00 0.00 177.00 179.12 2kw9 n VAL 45 N 4.39 0.84 -1.33 -0.36 0.24 -1.26 -4.71 118.33 116.14 2kw9 n VAL 45 Ca 0.10 -0.40 -0.38 0.00 -2.04 0.00 0.00 64.34 61.63 2kw9 n VAL 45 Cb 0.46 -0.48 -0.02 0.00 -1.47 0.00 0.00 33.84 32.33 2kw9 n VAL 45 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2kw9 n SER 46 N 0.16 6.89 -2.77 -1.34 7.64 -1.26 -4.82 113.62 118.12 2kw9 n SER 46 Ca 0.08 -2.61 -0.02 0.00 1.01 0.00 0.00 58.87 57.34 2kw9 n SER 46 Cb 0.54 -1.51 0.01 0.00 -1.01 0.00 0.00 64.21 62.25 2kw9 n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kw9 n GLY 47 N 3.77 0.71 3.92 0.23 0.00 -1.26 -5.09 105.19 107.46 2kw9 n GLY 47 Ca 0.67 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 2kw9 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kw9 s THR 48 N -2.17 2.09 0.24 2.61 -4.23 -1.26 -4.82 115.64 108.11 2kw9 s THR 48 Ca 0.18 -0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 60.51 2kw9 s THR 48 Cb -0.02 -2.98 0.25 0.00 1.34 0.00 0.00 72.50 71.09 2kw9 s THR 48 CO 0.03 0.00 1.66 0.50 -0.54 0.00 0.00 174.62 176.28 2kw9 h LYS 49 N -0.99 0.17 -0.38 3.99 3.64 -1.98 -0.60 116.57 120.43 2kw9 h LYS 49 Ca -0.45 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 2kw9 h LYS 49 Cb 1.31 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.06 2kw9 h LYS 49 CO 0.58 0.11 0.21 1.15 -2.27 0.00 0.00 179.45 179.24 2kw9 h THR 50 N 0.18 1.02 -0.85 1.00 2.02 -2.00 -2.37 112.91 111.91 2kw9 h THR 50 Ca 0.41 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.47 2kw9 h THR 50 Cb 0.71 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 2kw9 h THR 50 CO -0.58 0.08 0.55 -0.33 0.37 0.00 0.00 175.52 175.61 2kw9 h GLU 51 N 0.43 1.06 -0.08 6.66 4.39 -1.51 -0.73 114.58 124.80 2kw9 h GLU 51 Ca 0.15 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.81 2kw9 h GLU 51 Cb 0.03 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 2kw9 h GLU 51 CO -0.08 0.70 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.35 2kw9 h LEU 52 N 1.09 -0.15 0.37 1.33 3.38 -0.90 0.45 115.31 120.88 2kw9 h LEU 52 Ca 0.33 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 2kw9 h LEU 52 Cb -0.04 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2kw9 h LEU 52 CO -0.10 -0.07 -0.18 0.40 0.09 0.00 0.00 178.44 178.59 2kw9 h ILE 53 N -0.05 0.64 -0.76 1.22 2.04 -1.11 -1.33 117.51 118.16 2kw9 h ILE 53 Ca 0.05 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2kw9 h ILE 53 Cb 0.12 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 2kw9 h ILE 53 CO -0.11 0.01 0.46 -0.33 0.00 0.00 0.00 178.15 178.18 2kw9 h GLU 54 N -0.52 1.03 -0.10 2.37 5.08 -1.03 -1.34 114.58 120.06 2kw9 h GLU 54 Ca -0.05 -0.09 -0.21 0.00 -1.00 0.00 0.00 59.36 58.01 2kw9 h GLU 54 Cb 0.40 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2kw9 h GLU 54 CO 0.08 0.72 -0.79 -0.09 -1.00 0.00 0.00 179.01 177.93 2kw9 h ARG 55 N 1.05 0.62 -0.50 2.33 2.43 -0.85 0.14 114.38 119.59 2kw9 h ARG 55 Ca 0.28 -0.52 0.09 0.00 -0.81 0.00 0.00 59.98 59.01 2kw9 h ARG 55 Cb -0.05 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.54 2kw9 h ARG 55 CO -0.05 1.14 0.08 -0.07 -1.51 0.00 0.00 179.97 179.56 2kw9 h LEU 56 N 0.41 -0.04 0.55 3.80 3.38 -0.85 -1.15 115.31 121.41 2kw9 h LEU 56 Ca -0.05 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2kw9 h LEU 56 Cb 1.40 0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.30 2kw9 h LEU 56 CO 0.15 0.00 -0.27 0.03 0.09 0.00 0.00 178.44 178.45 2kw9 h ARG 57 N 0.21 -0.72 -0.70 1.13 3.08 -1.05 -1.72 114.38 114.61 2kw9 h ARG 57 Ca 0.25 0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.47 2kw9 h ARG 57 Cb 0.35 0.16 -0.09 0.00 0.08 0.00 0.00 29.97 30.48 2kw9 h ARG 57 CO -0.35 -0.41 0.27 0.00 -1.07 0.00 0.00 179.97 178.41 2kw9 h ALA 58 N -0.67 0.95 -0.48 0.04 0.00 -0.66 0.38 119.26 118.81 2kw9 h ALA 58 Ca -0.08 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2kw9 h ALA 58 Cb 0.64 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2kw9 h ALA 58 CO 0.13 -0.19 -0.10 -0.92 0.00 0.00 0.00 179.25 178.16 2kw9 h TYR 59 N 0.44 1.04 -0.13 0.00 3.20 -1.25 -2.05 116.97 118.21 2kw9 h TYR 59 Ca 0.37 -0.22 -0.14 0.00 3.14 0.00 0.00 58.73 61.89 2kw9 h TYR 59 Cb 0.52 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 2kw9 h TYR 59 CO -0.17 1.00 -0.51 0.37 -1.64 0.00 0.00 178.16 177.22 2kw9 h GLN 60 N 0.78 0.36 -0.10 1.82 -0.00 -0.34 -2.93 115.11 114.70 2kw9 h GLN 60 Ca 0.12 -0.21 -0.02 0.00 -0.00 0.00 0.00 58.65 58.54 2kw9 h GLN 60 Cb 0.65 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 28.15 2kw9 h GLN 60 CO 0.05 0.79 -0.01 0.22 0.00 0.00 0.00 178.83 179.87 2kw9 h ASP 61 N 0.29 0.19 -0.62 -0.69 3.58 -0.20 0.18 116.42 119.15 2kw9 h ASP 61 Ca 0.01 -0.34 -0.03 0.00 0.42 0.00 0.00 57.03 57.09 2kw9 h ASP 61 Cb 0.99 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.96 2kw9 h ASP 61 CO 0.09 0.49 0.28 0.06 -2.88 0.00 0.00 179.24 177.27 2kw9 h GLN 62 N -0.11 0.94 0.00 0.28 3.07 -1.39 -0.84 115.11 117.07 2kw9 h GLN 62 Ca 0.03 -0.14 -0.04 0.00 0.09 0.00 0.00 58.65 58.58 2kw9 h GLN 62 Cb 0.40 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.79 2kw9 h GLN 62 CO 0.01 0.76 -0.19 -0.84 0.09 0.00 0.00 178.83 178.66 2kw9 h ILE 63 N 0.93 0.34 -1.01 1.86 3.07 -1.51 -3.50 117.51 117.68 2kw9 h ILE 63 Ca 0.22 -1.38 0.00 0.00 1.55 0.00 0.00 64.86 65.25 2kw9 h ILE 63 Cb 0.15 2.09 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 2kw9 h ILE 63 CO -0.02 0.18 -0.25 -0.24 -1.05 0.00 0.00 178.15 176.78 2kw9 n SER 64 N -3.17 -3.27 -2.65 2.16 2.88 0.63 -5.04 113.62 105.16 2kw9 n SER 64 Ca 0.03 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 2kw9 n SER 64 Cb 0.57 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 2kw9 n SER 64 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2kw9 n PRO 65 N -0.79 -0.59 -1.83 -1.46 -0.02 -1.26 -4.93 135.00 124.13 2kw9 n PRO 65 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 2kw9 n PRO 65 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 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 -0.82 3.28 0.40 -1.45 -7.23 -1.24 -4.89 120.40 108.46 2kw9 s VAL 66 Ca 0.00 0.33 0.10 0.00 -1.81 0.00 0.00 61.98 60.60 2kw9 s VAL 66 Cb 0.00 -3.27 0.17 0.00 0.56 0.00 0.00 36.38 33.84 2kw9 s VAL 66 CO 0.00 -0.09 1.94 -0.65 -0.31 0.00 0.00 175.10 175.99 2kw9 h PRO 67 N 11.54 0.21 0.36 4.82 0.11 -1.97 -2.96 132.00 144.11 2kw9 h PRO 67 Ca -0.42 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kw9 h PRO 67 Cb 1.21 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2kw9 h PRO 67 CO 0.96 0.34 -0.37 0.78 -0.21 0.00 0.00 178.00 179.50 2kw9 h GLY 68 N 0.68 -0.87 -2.96 -0.55 0.00 -2.04 -3.49 103.07 93.84 2kw9 h GLY 68 Ca 0.04 0.43 0.06 0.00 0.00 0.00 0.00 47.33 47.87 2kw9 h GLY 68 CO 0.02 -0.30 -0.84 0.00 0.00 0.00 0.00 176.54 175.42 2kw9 n ALA 69 N -2.68 -1.99 -2.55 3.60 0.00 -1.12 -4.80 120.51 110.97 2kw9 n ALA 69 Ca -0.10 0.48 -0.43 0.00 0.00 0.00 0.00 53.44 53.39 2kw9 n ALA 69 Cb 0.38 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 2kw9 n ALA 69 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2kw9 s PRO 70 N -4.90 4.26 0.29 0.00 0.02 -1.26 -5.03 135.00 128.39 2kw9 s PRO 70 Ca 0.00 1.51 -0.29 0.00 0.02 0.00 0.00 61.00 62.24 2kw9 s PRO 70 Cb 0.00 -3.68 -0.10 0.00 0.02 0.00 0.00 34.50 30.74 2kw9 s PRO 70 CO 0.00 -0.63 1.14 0.21 -0.33 0.00 0.00 177.00 177.39 2kw9 s LYS 71 N 3.19 4.58 0.21 5.54 2.20 -1.26 -4.99 119.74 129.20 2kw9 s LYS 71 Ca 0.50 1.89 -0.30 0.00 -0.36 0.00 0.00 55.97 57.69 2kw9 s LYS 71 Cb -0.19 -3.16 -0.09 0.00 -1.51 0.00 0.00 37.83 32.88 2kw9 s LYS 71 CO 0.11 0.13 1.41 0.00 -0.36 0.00 0.00 175.35 176.65 2kw9 s ALA 72 N -1.16 3.62 1.00 3.13 0.00 -1.26 -5.03 121.76 122.05 2kw9 s ALA 72 Ca 0.45 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.66 2kw9 s ALA 72 Cb -0.34 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.24 2kw9 s ALA 72 CO 0.43 -0.68 0.00 -2.30 0.00 0.00 0.00 175.76 173.22 2kw9 n PRO 73 N 2.82 -0.44 -1.13 0.00 -0.02 -1.26 -4.77 135.00 130.21 2kw9 n PRO 73 Ca 0.08 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.20 2kw9 n PRO 73 Cb 0.41 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.86 2kw9 n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kw9 n ALA 74 N -3.00 4.41 -0.44 3.55 0.00 -1.26 -5.34 120.51 118.44 2kw9 n ALA 74 Ca 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 53.44 50.43 2kw9 n ALA 74 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.04 2kw9 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50