#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw9 s GLY 2 N 0.00 1.81 0.64 3.03 0.00 -1.26 -4.90 107.32 106.64 2kw9 s GLY 2 Ca 0.00 -2.40 0.40 0.00 0.00 0.00 0.00 44.72 42.72 2kw9 s GLY 2 CO 0.00 1.77 2.31 1.12 0.00 0.00 0.00 173.10 178.29 2kw9 h HIS 3 N 9.04 0.00 -2.73 1.90 -0.00 -2.14 -3.35 115.15 117.87 2kw9 h HIS 3 Ca -0.14 0.00 -0.48 0.00 -0.00 0.00 0.00 60.37 59.76 2kw9 h HIS 3 Cb 1.06 0.00 -0.39 0.00 -0.00 0.00 0.00 27.41 28.08 2kw9 h HIS 3 CO 0.97 0.01 -0.74 -1.01 -0.00 0.00 0.00 177.93 177.15 2kw9 s HIS 4 N -4.23 0.15 -0.33 6.12 0.09 -1.26 -5.12 115.29 110.70 2kw9 s HIS 4 Ca -0.04 -0.61 -0.29 0.00 -0.00 0.00 0.00 55.06 54.12 2kw9 s HIS 4 Cb 0.13 -0.77 0.00 0.00 -0.00 0.00 0.00 32.58 31.95 2kw9 s HIS 4 CO 0.46 -0.77 1.37 -1.01 -0.00 0.00 0.00 174.74 174.80 2kw9 s HIS 5 N 2.16 2.52 -0.14 1.40 4.02 -1.26 -5.00 115.29 118.99 2kw9 s HIS 5 Ca 0.08 0.77 -0.24 0.00 1.02 0.00 0.00 55.06 56.68 2kw9 s HIS 5 Cb -0.16 -4.06 -0.02 0.00 -1.02 0.00 0.00 32.58 27.32 2kw9 s HIS 5 CO -0.30 -1.94 0.76 -1.01 1.02 0.00 0.00 174.74 173.28 2kw9 s HIS 6 N 4.85 3.46 -0.16 1.40 0.09 -1.26 -5.03 115.29 118.64 2kw9 s HIS 6 Ca 0.60 1.20 -0.29 0.00 -0.00 0.00 0.00 55.06 56.57 2kw9 s HIS 6 Cb -0.16 -2.92 -0.01 0.00 -0.00 0.00 0.00 32.58 29.48 2kw9 s HIS 6 CO 0.27 -0.13 1.26 -1.01 -0.00 0.00 0.00 174.74 175.13 2kw9 s HIS 7 N 1.70 2.87 -0.33 1.40 0.09 -1.26 -4.99 115.29 114.77 2kw9 s HIS 7 Ca 0.37 1.02 -0.29 0.00 -0.00 0.00 0.00 55.06 56.16 2kw9 s HIS 7 Cb -0.17 -3.50 0.02 0.00 -0.00 0.00 0.00 32.58 28.93 2kw9 s HIS 7 CO 0.14 -1.67 1.09 -1.01 -0.00 0.00 0.00 174.74 173.29 2kw9 s HIS 8 N 3.46 3.12 -0.09 1.40 4.02 -1.26 -5.00 115.29 120.94 2kw9 s HIS 8 Ca 0.54 1.17 -0.30 0.00 1.02 0.00 0.00 55.06 57.49 2kw9 s HIS 8 Cb -0.22 -3.73 0.07 0.00 -1.02 0.00 0.00 32.58 27.69 2kw9 s HIS 8 CO 0.15 -0.82 0.71 0.45 1.02 0.00 0.00 174.74 176.25 2kw9 s SER 9 N 1.72 -0.65 0.69 1.40 0.15 -1.26 -5.18 113.70 110.57 2kw9 s SER 9 Ca 0.46 0.80 -0.09 0.00 0.70 0.00 0.00 55.95 57.82 2kw9 s SER 9 Cb -0.12 0.66 0.03 0.00 -1.71 0.00 0.00 66.02 64.88 2kw9 s SER 9 CO 0.16 -0.54 1.04 -1.00 1.20 0.00 0.00 173.24 174.10 2kw9 s HIS 10 N -0.95 3.15 -1.83 3.44 3.76 -1.26 -4.99 115.29 116.60 2kw9 s HIS 10 Ca -0.09 0.75 0.18 0.00 -0.15 0.00 0.00 55.06 55.76 2kw9 s HIS 10 Cb -0.01 -3.08 0.38 0.00 1.11 0.00 0.00 32.58 30.98 2kw9 s HIS 10 CO 0.08 -1.23 1.30 -1.33 -0.85 0.00 0.00 174.74 172.71 2kw9 n MET 11 N -2.92 2.34 0.00 1.40 2.81 -1.26 -5.00 117.12 114.49 2kw9 n MET 11 Ca 0.07 -2.12 0.00 0.00 -1.81 0.00 0.00 57.70 53.84 2kw9 n MET 11 Cb 0.59 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 2kw9 n MET 11 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2kw9 n SER 12 N 1.14 -0.07 -4.72 7.83 7.64 -1.26 -4.97 113.62 119.21 2kw9 n SER 12 Ca 0.16 -0.17 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 2kw9 n SER 12 Cb 0.51 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 2kw9 n SER 12 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2kw9 n THR 13 N -0.57 1.28 -0.98 0.44 -2.24 -1.26 -4.97 114.28 105.99 2kw9 n THR 13 Ca 0.00 -0.32 -0.33 0.00 -2.27 0.00 0.00 64.05 61.13 2kw9 n THR 13 Cb 0.00 -1.78 0.14 0.00 -2.10 0.00 0.00 70.33 66.59 2kw9 n THR 13 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2kw9 n PRO 14 N 1.65 -0.01 -1.87 -0.78 -0.02 -1.26 -5.02 135.00 127.70 2kw9 n PRO 14 Ca 0.08 0.08 -0.30 0.00 -2.02 0.00 0.00 63.50 61.34 2kw9 n PRO 14 Cb 0.35 -2.37 0.06 0.00 -0.02 0.00 0.00 33.50 31.52 2kw9 n PRO 14 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kw9 s LEU 15 N -5.50 2.76 -0.01 2.45 1.43 -1.26 -5.09 118.68 113.46 2kw9 s LEU 15 Ca 0.71 1.04 0.08 0.00 -1.03 0.00 0.00 54.13 54.92 2kw9 s LEU 15 Cb -0.27 -3.73 -0.02 0.00 0.03 0.00 0.00 46.19 42.19 2kw9 s LEU 15 CO 0.54 -1.55 -0.24 0.28 0.23 0.00 0.00 176.35 175.61 2kw9 s THR 16 N -3.41 1.92 0.78 5.49 -1.32 -1.26 -5.15 115.64 112.69 2kw9 s THR 16 Ca 0.59 -1.07 -0.03 0.00 -1.21 0.00 0.00 61.69 59.97 2kw9 s THR 16 Cb -0.11 -1.60 0.16 0.00 -1.51 0.00 0.00 72.50 69.44 2kw9 s THR 16 CO 0.51 0.51 1.06 0.61 -2.21 0.00 0.00 174.62 175.10 2kw9 n GLY 17 N 2.39 0.26 3.54 6.08 0.00 -1.26 -5.12 105.19 111.08 2kw9 n GLY 17 Ca -0.16 -1.97 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 2kw9 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kw9 s LYS 18 N -5.26 2.26 0.63 1.61 1.02 -1.26 -5.13 119.74 113.60 2kw9 s LYS 18 Ca 0.68 -0.90 -0.15 0.00 0.02 0.00 0.00 55.97 55.62 2kw9 s LYS 18 Cb -0.03 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 2kw9 s LYS 18 CO 0.46 0.55 1.08 -1.25 -0.92 0.00 0.00 175.35 175.27 2kw9 s PRO 19 N -1.67 3.08 -1.31 -1.68 0.04 -1.26 -4.93 135.00 127.28 2kw9 s PRO 19 Ca 0.18 1.27 -0.13 0.00 0.04 0.00 0.00 61.00 62.35 2kw9 s PRO 19 Cb -0.11 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 2kw9 s PRO 19 CO 0.09 -1.01 2.38 0.41 0.04 0.00 0.00 177.00 178.91 2kw9 n GLY 20 N -0.84 3.85 0.90 0.56 0.00 -1.26 -4.78 105.19 103.61 2kw9 n GLY 20 Ca 0.09 -1.39 -0.01 0.00 0.00 0.00 0.00 46.02 44.71 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 5.29 -0.57 -1.76 4.61 0.00 -1.26 -4.75 120.51 122.07 2kw9 n ALA 21 Ca 0.59 -0.26 -0.41 0.00 0.00 0.00 0.00 53.44 53.35 2kw9 n ALA 21 Cb 0.30 0.16 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 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 4.34 -0.05 0.00 1.43 -1.26 -4.95 118.68 118.19 2kw9 s LEU 22 Ca 0.05 2.97 -0.30 0.00 -1.03 0.00 0.00 54.13 55.82 2kw9 s LEU 22 Cb -0.01 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 2kw9 s LEU 22 CO 0.02 -0.91 1.60 -2.16 0.23 0.00 0.00 176.35 175.12 2kw9 s PRO 23 N -0.70 4.19 0.13 1.29 0.04 -1.26 -4.88 135.00 133.81 2kw9 s PRO 23 Ca 0.62 2.13 0.07 0.00 0.04 0.00 0.00 61.00 63.87 2kw9 s PRO 23 Cb -0.48 -3.91 0.41 0.00 0.04 0.00 0.00 34.50 30.56 2kw9 s PRO 23 CO 0.50 -0.81 1.17 0.00 0.04 0.00 0.00 177.00 177.90 2kw9 n ALA 24 N 6.86 0.87 -0.62 8.56 0.00 -1.26 -2.07 120.51 132.85 2kw9 n ALA 24 Ca 0.17 0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.50 2kw9 n ALA 24 Cb 0.43 -0.96 0.09 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.73 4.72 -0.13 0.00 4.13 -1.26 -4.60 115.26 116.39 2kw9 n ASN 25 Ca -0.00 -3.10 0.17 0.00 1.68 0.00 0.00 54.58 53.33 2kw9 n ASN 25 Cb 0.10 -0.83 0.55 0.00 -1.54 0.00 0.00 39.78 38.06 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 1.52 0.29 -0.50 3.41 3.38 -1.79 0.22 115.31 121.84 2kw9 h LEU 26 Ca 0.39 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.23 2kw9 h LEU 26 Cb 1.68 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 2kw9 h LEU 26 CO 0.80 0.15 -0.33 0.44 0.09 0.00 0.00 178.44 179.59 2kw9 h ASP 27 N 0.31 0.91 0.25 -0.43 3.32 -1.90 -3.14 116.42 115.74 2kw9 h ASP 27 Ca 0.35 -0.39 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 2kw9 h ASP 27 Cb 0.92 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 2kw9 h ASP 27 CO -0.09 1.16 -0.45 0.44 -1.72 0.00 0.00 179.24 178.58 2kw9 h ASP 28 N 0.73 0.26 -3.89 6.45 5.19 -1.02 -3.44 116.42 120.70 2kw9 h ASP 28 Ca 0.07 -0.12 -0.52 0.00 -0.62 0.00 0.00 57.03 55.84 2kw9 h ASP 28 Cb 0.90 -0.07 0.07 0.00 0.18 0.00 0.00 39.33 40.41 2kw9 h ASP 28 CO 0.08 0.69 0.64 -0.04 -3.12 0.00 0.00 179.24 177.49 2kw9 s MET 29 N -4.06 4.29 0.61 3.56 -1.94 -0.01 -5.01 119.30 116.74 2kw9 s MET 29 Ca -0.04 2.23 -0.12 0.00 -1.71 0.00 0.00 55.69 56.05 2kw9 s MET 29 Cb 0.13 -3.02 -0.04 0.00 2.01 0.00 0.00 34.83 33.91 2kw9 s MET 29 CO 0.78 -0.25 1.03 0.15 -0.01 0.00 0.00 175.02 176.72 2kw9 s LYS 30 N -1.87 3.55 0.20 2.03 1.02 -1.26 -4.83 119.74 118.58 2kw9 s LYS 30 Ca 0.50 0.83 -0.13 0.00 0.02 0.00 0.00 55.97 57.18 2kw9 s LYS 30 Cb -0.40 -2.07 0.22 0.00 -0.52 0.00 0.00 37.83 35.05 2kw9 s LYS 30 CO 0.53 -0.61 1.65 0.28 -0.92 0.00 0.00 175.35 176.29 2kw9 h VAL 31 N -0.15 0.49 -0.82 3.17 2.07 -1.95 -0.03 116.25 119.02 2kw9 h VAL 31 Ca -0.44 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.11 2kw9 h VAL 31 Cb 1.19 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 2kw9 h VAL 31 CO 0.61 0.01 0.54 0.00 0.02 0.00 0.00 177.57 178.75 2kw9 h ALA 32 N 1.53 1.56 -0.09 1.67 0.00 -1.99 -0.80 119.26 121.14 2kw9 h ALA 32 Ca 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2kw9 h ALA 32 Cb 0.43 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kw9 h ALA 32 CO -0.53 0.33 0.01 0.93 0.00 0.00 0.00 179.25 179.98 2kw9 h GLU 33 N 0.94 0.16 -0.51 0.00 5.08 -1.41 -1.11 114.58 117.74 2kw9 h GLU 33 Ca 0.35 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.68 2kw9 h GLU 33 Cb 0.16 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2kw9 h GLU 33 CO -0.12 0.40 0.30 -0.07 -1.00 0.00 0.00 179.01 178.52 2kw9 h LEU 34 N -0.10 0.47 -1.60 1.33 3.38 -0.85 0.11 115.31 118.05 2kw9 h LEU 34 Ca 0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2kw9 h LEU 34 Cb 0.33 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2kw9 h LEU 34 CO 0.00 0.33 -0.08 0.11 0.09 0.00 0.00 178.44 178.90 2kw9 h LYS 35 N 0.59 0.16 -0.23 1.13 1.57 -1.11 -0.26 116.57 118.41 2kw9 h LYS 35 Ca 0.21 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 2kw9 h LYS 35 Cb 0.04 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 2kw9 h LYS 35 CO -0.10 0.25 -0.25 0.37 -0.57 0.00 0.00 179.45 179.14 2kw9 h GLN 36 N 0.15 0.57 -0.40 3.15 -0.00 -0.22 -2.32 115.11 116.04 2kw9 h GLN 36 Ca 0.03 -0.31 0.05 0.00 -0.00 0.00 0.00 58.65 58.42 2kw9 h GLN 36 Cb 0.24 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.71 2kw9 h GLN 36 CO 0.01 0.91 0.27 0.93 0.00 0.00 0.00 178.83 180.95 2kw9 h GLU 37 N 0.26 0.32 0.44 1.69 4.39 -0.18 -2.80 114.58 118.71 2kw9 h GLU 37 Ca 0.03 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2kw9 h GLU 37 Cb 0.82 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2kw9 h GLU 37 CO 0.06 0.21 -0.21 -0.07 -1.16 0.00 0.00 179.01 177.84 2kw9 h LEU 38 N 0.33 -0.50 -1.84 1.33 3.38 -0.90 -3.33 115.31 113.77 2kw9 h LEU 38 Ca 0.17 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.14 2kw9 h LEU 38 Cb 0.28 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2kw9 h LEU 38 CO -0.04 -0.08 0.24 0.07 0.09 0.00 0.00 178.44 178.72 2kw9 h LYS 39 N -1.07 0.19 -0.58 1.13 2.10 -1.30 0.27 116.57 117.32 2kw9 h LYS 39 Ca -0.06 -0.01 0.03 0.00 -2.00 0.00 0.00 60.65 58.61 2kw9 h LYS 39 Cb 0.54 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.79 2kw9 h LYS 39 CO 0.10 0.13 0.38 -0.07 -2.00 0.00 0.00 179.45 177.99 2kw9 h LEU 40 N 0.20 0.58 -3.52 7.07 3.38 -1.61 -3.09 115.31 118.32 2kw9 h LEU 40 Ca 0.15 -0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.78 2kw9 h LEU 40 Cb 0.36 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 40.76 2kw9 h LEU 40 CO -0.03 0.40 -0.23 0.54 0.09 0.00 0.00 178.44 179.21 2kw9 n ARG 41 N -4.47 2.45 -1.01 1.13 1.74 -0.04 -4.94 116.66 111.53 2kw9 n ARG 41 Ca 0.07 -3.52 -0.00 0.00 -0.77 0.00 0.00 57.85 53.63 2kw9 n ARG 41 Cb 0.13 -2.00 -0.00 0.00 -1.02 0.00 0.00 32.46 29.58 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 -0.98 -4.64 -4.82 0.55 2.88 -1.12 -4.99 113.62 100.52 2kw9 n SER 42 Ca 0.39 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.56 2kw9 n SER 42 Cb 0.94 -2.16 -0.06 0.00 -0.75 0.00 0.00 64.21 62.18 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 -0.04 4.45 0.34 2.46 1.43 -0.47 -4.98 118.68 121.87 2kw9 s LEU 43 Ca 0.00 1.25 -0.26 0.00 -1.03 0.00 0.00 54.13 54.09 2kw9 s LEU 43 Cb 0.00 -3.11 -0.09 0.00 0.03 0.00 0.00 46.19 43.01 2kw9 s LEU 43 CO 0.00 0.19 1.04 -2.16 0.23 0.00 0.00 176.35 175.65 2kw9 s PRO 44 N -1.47 4.43 0.00 1.29 0.04 -1.26 -3.40 135.00 134.63 2kw9 s PRO 44 Ca 0.34 1.57 0.25 0.00 0.04 0.00 0.00 61.00 63.20 2kw9 s PRO 44 Cb -0.18 -2.84 0.40 0.00 0.04 0.00 0.00 34.50 31.91 2kw9 s PRO 44 CO 0.20 0.09 1.38 1.33 0.04 0.00 0.00 177.00 180.03 2kw9 n VAL 45 N 0.55 0.00 -0.79 -0.36 0.24 -1.26 -4.62 118.33 112.09 2kw9 n VAL 45 Ca 0.02 -0.44 -0.07 0.00 -2.04 0.00 0.00 64.34 61.81 2kw9 n VAL 45 Cb 0.48 1.25 -0.10 0.00 -1.47 0.00 0.00 33.84 34.00 2kw9 n VAL 45 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2kw9 n SER 46 N 1.05 5.24 -4.21 -1.34 3.41 -1.26 -4.85 113.62 111.67 2kw9 n SER 46 Ca 0.15 -2.44 -0.21 0.00 -0.26 0.00 0.00 58.87 56.11 2kw9 n SER 46 Cb 0.54 -1.29 -0.09 0.00 -0.26 0.00 0.00 64.21 63.11 2kw9 n SER 46 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2kw9 s GLY 47 N 2.00 2.20 0.85 5.00 0.00 -1.26 -5.12 107.32 110.99 2kw9 s GLY 47 Ca 0.39 -1.68 -0.12 0.00 0.00 0.00 0.00 44.72 43.31 2kw9 s GLY 47 CO 0.00 -1.73 1.20 -0.51 0.00 0.00 0.00 173.10 172.06 2kw9 s THR 48 N -3.41 2.05 0.18 0.90 -4.23 -1.26 -4.75 115.64 105.12 2kw9 s THR 48 Ca 0.32 -0.07 -0.16 0.00 -1.18 0.00 0.00 61.69 60.60 2kw9 s THR 48 Cb 0.06 -2.98 0.14 0.00 1.34 0.00 0.00 72.50 71.06 2kw9 s THR 48 CO 0.15 0.00 1.65 0.50 -0.54 0.00 0.00 174.62 176.38 2kw9 h LYS 49 N -1.19 -0.03 -0.82 3.99 1.63 -2.00 0.13 116.57 118.29 2kw9 h LYS 49 Ca -0.45 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.32 2kw9 h LYS 49 Cb 1.29 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.89 2kw9 h LYS 49 CO 0.53 -0.02 0.36 1.15 -3.45 0.00 0.00 179.45 178.02 2kw9 h THR 50 N -0.03 1.26 -0.73 1.00 2.02 -2.00 -2.69 112.91 111.74 2kw9 h THR 50 Ca 0.23 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 2kw9 h THR 50 Cb 0.37 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 2kw9 h THR 50 CO -0.50 0.33 0.43 -0.33 0.37 0.00 0.00 175.52 175.82 2kw9 h GLU 51 N 1.19 1.00 -0.11 6.66 4.39 -1.42 0.97 114.58 127.26 2kw9 h GLU 51 Ca 0.28 -0.10 0.02 0.00 0.34 0.00 0.00 59.36 59.90 2kw9 h GLU 51 Cb 0.17 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 2kw9 h GLU 51 CO -0.03 0.72 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.46 2kw9 h LEU 52 N 1.01 -0.07 0.48 1.33 3.38 -0.62 0.24 115.31 121.06 2kw9 h LEU 52 Ca 0.26 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 2kw9 h LEU 52 Cb -0.02 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2kw9 h LEU 52 CO -0.05 -0.02 -0.23 0.40 0.09 0.00 0.00 178.44 178.63 2kw9 h ILE 53 N 0.02 0.49 -0.78 1.22 2.04 -1.23 -2.38 117.51 116.89 2kw9 h ILE 53 Ca 0.05 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.66 2kw9 h ILE 53 Cb 0.07 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 2kw9 h ILE 53 CO -0.10 0.04 0.51 -0.33 0.00 0.00 0.00 178.15 178.28 2kw9 h GLU 54 N -0.82 0.99 -0.33 2.37 4.39 -0.80 -1.24 114.58 119.14 2kw9 h GLU 54 Ca -0.07 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.49 2kw9 h GLU 54 Cb 0.57 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 2kw9 h GLU 54 CO 0.11 0.65 -0.14 -0.09 -1.16 0.00 0.00 179.01 178.38 2kw9 h ARG 55 N 1.01 0.57 0.13 2.33 2.43 -0.98 -1.11 114.38 118.76 2kw9 h ARG 55 Ca 0.30 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2kw9 h ARG 55 Cb -0.06 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 2kw9 h ARG 55 CO -0.08 0.70 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.94 2kw9 h LEU 56 N 0.52 -0.15 0.08 3.80 3.38 -0.92 -2.48 115.31 119.55 2kw9 h LEU 56 Ca 0.09 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2kw9 h LEU 56 Cb 0.55 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2kw9 h LEU 56 CO 0.03 0.04 -0.10 0.03 0.09 0.00 0.00 178.44 178.53 2kw9 h ARG 57 N -0.32 -0.20 0.18 1.13 3.08 -0.90 -0.53 114.38 116.81 2kw9 h ARG 57 Ca -0.02 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kw9 h ARG 57 Cb 0.26 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2kw9 h ARG 57 CO 0.03 -0.14 -0.18 0.00 -1.07 0.00 0.00 179.97 178.61 2kw9 h ALA 58 N 0.69 -0.36 0.66 0.04 0.00 -1.30 -1.85 119.26 117.14 2kw9 h ALA 58 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2kw9 h ALA 58 Cb 0.21 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2kw9 h ALA 58 CO -0.04 -0.73 -0.44 -0.92 0.00 0.00 0.00 179.25 177.12 2kw9 h TYR 59 N -0.39 -1.18 -0.42 0.00 3.20 -1.36 -0.60 116.97 116.22 2kw9 h TYR 59 Ca 0.00 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.96 2kw9 h TYR 59 Cb 0.37 0.43 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 2kw9 h TYR 59 CO -0.14 -0.65 0.29 0.37 -1.64 0.00 0.00 178.16 176.39 2kw9 h GLN 60 N -1.05 0.15 0.09 1.82 -0.00 -1.09 -1.47 115.11 113.57 2kw9 h GLN 60 Ca -0.08 -0.01 -0.14 0.00 -0.00 0.00 0.00 58.65 58.42 2kw9 h GLN 60 Cb 0.86 -0.03 0.02 0.00 0.00 0.00 0.00 27.48 28.32 2kw9 h GLN 60 CO 0.06 0.10 -0.60 0.22 0.00 0.00 0.00 178.83 178.61 2kw9 h ASP 61 N 0.16 0.37 0.35 -0.69 3.58 -1.15 -3.37 116.42 115.67 2kw9 h ASP 61 Ca 0.20 -0.94 -0.12 0.00 0.42 0.00 0.00 57.03 56.59 2kw9 h ASP 61 Cb 0.58 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 2kw9 h ASP 61 CO -0.03 1.27 -0.51 0.06 -2.88 0.00 0.00 179.24 177.15 2kw9 h GLN 62 N -0.48 0.19 0.00 0.28 3.07 -0.49 -2.82 115.11 114.87 2kw9 h GLN 62 Ca -0.10 -0.11 0.00 0.00 0.09 0.00 0.00 58.65 58.53 2kw9 h GLN 62 Cb 1.45 0.01 0.00 0.00 0.08 0.00 0.00 27.48 29.02 2kw9 h GLN 62 CO 0.11 0.66 0.00 -0.84 0.09 0.00 0.00 178.83 178.85 2kw9 h ILE 63 N 0.15 0.00 -3.74 1.86 3.07 -1.45 -3.48 117.51 113.92 2kw9 h ILE 63 Ca 0.00 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 66.20 2kw9 h ILE 63 Cb 0.96 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 2kw9 h ILE 63 CO 0.08 0.00 -0.26 -0.24 -1.05 0.00 0.00 178.15 176.68 2kw9 n SER 64 N -2.77 -4.02 -3.14 2.16 2.88 -1.06 -3.75 113.62 103.92 2kw9 n SER 64 Ca -0.01 0.35 -0.17 0.00 -1.33 0.00 0.00 58.87 57.71 2kw9 n SER 64 Cb 0.17 -2.47 0.12 0.00 -0.75 0.00 0.00 64.21 61.28 2kw9 n SER 64 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2kw9 n PRO 65 N -0.07 -0.75 -3.18 -1.46 -0.04 -1.26 -4.65 135.00 123.60 2kw9 n PRO 65 Ca 0.02 -1.23 -0.40 0.00 -0.04 0.00 0.00 63.50 61.84 2kw9 n PRO 65 Cb 0.07 -0.80 -0.07 0.00 -0.04 0.00 0.00 33.50 32.66 2kw9 n PRO 65 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2kw9 s VAL 66 N -2.70 5.05 -0.96 0.52 -7.23 -1.26 -4.89 120.40 108.92 2kw9 s VAL 66 Ca 0.45 1.04 -0.13 0.00 -1.81 0.00 0.00 61.98 61.53 2kw9 s VAL 66 Cb -0.01 -3.89 -0.09 0.00 0.56 0.00 0.00 36.38 32.95 2kw9 s VAL 66 CO 0.31 0.10 2.11 -2.65 -0.31 0.00 0.00 175.10 174.67 2kw9 n PRO 67 N 5.25 2.05 0.00 4.82 -0.02 -1.26 -4.59 135.00 141.25 2kw9 n PRO 67 Ca -0.03 -1.78 0.00 0.00 -2.02 0.00 0.00 63.50 59.67 2kw9 n PRO 67 Cb 0.50 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 2kw9 n PRO 67 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kw9 n GLY 68 N 4.09 1.54 3.85 -1.23 0.00 -1.26 -4.92 105.19 107.25 2kw9 n GLY 68 Ca 0.50 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 46.16 2kw9 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kw9 s ALA 69 N 0.00 3.41 -0.91 4.61 0.00 -1.26 -4.96 121.76 122.65 2kw9 s ALA 69 Ca 0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 51.96 51.66 2kw9 s ALA 69 Cb 0.00 -2.67 -0.12 0.00 0.00 0.00 0.00 23.12 20.33 2kw9 s ALA 69 CO 0.00 0.39 2.19 -1.25 0.00 0.00 0.00 175.76 177.08 2kw9 s PRO 70 N -2.80 1.87 0.03 0.00 0.04 -1.26 -4.72 135.00 128.15 2kw9 s PRO 70 Ca 0.51 -0.05 -0.31 0.00 0.04 0.00 0.00 61.00 61.19 2kw9 s PRO 70 Cb -0.11 -4.94 -0.17 0.00 0.04 0.00 0.00 34.50 29.32 2kw9 s PRO 70 CO 0.19 -4.30 1.30 -0.22 0.04 0.00 0.00 177.00 174.01 2kw9 h LYS 71 N 11.82 -1.04 -1.02 4.56 3.64 -1.93 -3.49 116.57 129.12 2kw9 h LYS 71 Ca 0.05 0.07 0.24 0.00 -1.27 0.00 0.00 60.65 59.74 2kw9 h LYS 71 Cb 0.99 0.24 -0.30 0.00 -0.41 0.00 0.00 32.23 32.75 2kw9 h LYS 71 CO 1.08 -0.69 0.96 0.00 -2.27 0.00 0.00 179.45 178.54 2kw9 s ALA 72 N -5.38 -2.18 -0.33 5.00 0.00 -1.26 -5.11 121.76 112.49 2kw9 s ALA 72 Ca -0.16 1.82 -0.27 0.00 0.00 0.00 0.00 51.96 53.34 2kw9 s ALA 72 Cb 0.02 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.41 2kw9 s ALA 72 CO 0.50 -0.18 2.19 -1.25 0.00 0.00 0.00 175.76 177.03 2kw9 s PRO 73 N -0.62 2.85 0.69 0.00 0.04 -1.26 -4.87 135.00 131.84 2kw9 s PRO 73 Ca 0.09 1.70 0.02 0.00 0.04 0.00 0.00 61.00 62.85 2kw9 s PRO 73 Cb -0.03 -4.41 0.13 0.00 0.04 0.00 0.00 34.50 30.24 2kw9 s PRO 73 CO -0.12 -2.42 0.95 0.00 0.04 0.00 0.00 177.00 175.45 2kw9 n ALA 74 N 12.70 0.46 -0.71 8.56 0.00 -1.26 -5.20 120.51 135.07 2kw9 n ALA 74 Ca 0.30 -1.99 0.00 0.00 0.00 0.00 0.00 53.44 51.75 2kw9 n ALA 74 Cb 0.48 0.39 0.00 0.00 0.00 0.00 0.00 19.45 20.32 2kw9 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50