#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 0.30 3.09 3.03 0.00 -1.26 -5.18 105.19 105.17 2kw9 n GLY 2 Ca 0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 0.80 0.06 1.61 0.09 -1.26 -5.16 115.29 111.43 2kw9 s HIS 3 Ca 0.00 -0.51 0.05 0.00 -0.00 0.00 0.00 55.06 54.60 2kw9 s HIS 3 Cb 0.00 -0.47 -0.04 0.00 -0.00 0.00 0.00 32.58 32.07 2kw9 s HIS 3 CO 0.00 -0.05 -0.06 -1.01 -0.00 0.00 0.00 174.74 173.61 2kw9 s HIS 4 N -1.44 2.86 -0.55 1.40 4.02 -1.26 -5.07 115.29 115.25 2kw9 s HIS 4 Ca -0.07 -0.08 -0.28 0.00 1.02 0.00 0.00 55.06 55.65 2kw9 s HIS 4 Cb -0.09 -1.53 0.00 0.00 -1.02 0.00 0.00 32.58 29.94 2kw9 s HIS 4 CO 0.01 0.42 1.54 -1.01 1.02 0.00 0.00 174.74 176.71 2kw9 s HIS 5 N -1.15 2.10 -1.14 1.40 4.02 -1.26 -4.92 115.29 114.35 2kw9 s HIS 5 Ca 0.21 0.53 -0.23 0.00 1.02 0.00 0.00 55.06 56.58 2kw9 s HIS 5 Cb -0.11 -4.31 -0.09 0.00 -1.02 0.00 0.00 32.58 27.05 2kw9 s HIS 5 CO 0.12 -2.16 1.95 -1.01 1.02 0.00 0.00 174.74 174.66 2kw9 s HIS 6 N 6.74 1.90 0.28 1.40 0.09 -1.26 -4.94 115.29 119.51 2kw9 s HIS 6 Ca 0.58 0.57 -0.30 0.00 -0.00 0.00 0.00 55.06 55.90 2kw9 s HIS 6 Cb -0.12 -3.98 -0.12 0.00 -0.00 0.00 0.00 32.58 28.36 2kw9 s HIS 6 CO 0.25 -1.26 1.56 -2.39 -0.00 0.00 0.00 174.74 172.90 2kw9 n HIS 7 N 14.56 2.72 -3.68 1.40 -0.00 -1.26 -5.01 115.22 123.95 2kw9 n HIS 7 Ca 0.44 0.29 -0.11 0.00 -0.00 0.00 0.00 57.72 58.34 2kw9 n HIS 7 Cb 0.47 -2.57 -0.09 0.00 -0.00 0.00 0.00 29.99 27.79 2kw9 n HIS 7 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kw9 s HIS 8 N -0.01 -0.72 -0.03 -1.40 5.65 -1.26 -5.16 115.29 112.35 2kw9 s HIS 8 Ca 0.65 1.56 0.05 0.00 0.25 0.00 0.00 55.06 57.56 2kw9 s HIS 8 Cb -0.53 0.34 -0.01 0.00 -1.18 0.00 0.00 32.58 31.21 2kw9 s HIS 8 CO 0.49 -0.37 -0.17 0.45 -0.65 0.00 0.00 174.74 174.48 2kw9 s SER 9 N 1.07 2.13 -0.75 9.88 0.15 -1.26 -5.08 113.70 119.84 2kw9 s SER 9 Ca -0.06 -0.34 -0.26 0.00 0.70 0.00 0.00 55.95 55.99 2kw9 s SER 9 Cb -0.06 -0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 63.72 2kw9 s SER 9 CO -0.10 0.17 1.97 -1.38 1.20 0.00 0.00 173.24 175.10 2kw9 s HIS 10 N -0.10 1.66 -0.30 3.44 0.00 -1.26 -4.93 115.29 113.80 2kw9 s HIS 10 Ca -0.01 0.84 -0.01 0.00 -3.00 0.00 0.00 55.06 52.89 2kw9 s HIS 10 Cb -0.10 -4.00 0.05 0.00 -4.00 0.00 0.00 32.58 24.54 2kw9 s HIS 10 CO 0.01 -2.02 -0.01 1.41 -1.00 0.00 0.00 174.74 173.13 2kw9 s MET 11 N 7.22 2.37 0.38 -0.38 1.75 -1.26 -5.10 119.30 124.28 2kw9 s MET 11 Ca 0.72 -1.31 0.08 0.00 -1.25 0.00 0.00 55.69 53.93 2kw9 s MET 11 Cb -0.10 -3.15 -0.05 0.00 2.84 0.00 0.00 34.83 34.37 2kw9 s MET 11 CO 0.10 -0.63 0.13 -1.12 -0.65 0.00 0.00 175.02 172.85 2kw9 s SER 12 N 1.24 4.39 -0.15 1.11 0.01 -1.26 -5.14 113.70 113.90 2kw9 s SER 12 Ca -0.05 -1.01 -0.08 0.00 1.31 0.00 0.00 55.95 56.12 2kw9 s SER 12 Cb -0.20 -0.54 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 2kw9 s SER 12 CO -0.02 -0.42 0.14 0.42 0.41 0.00 0.00 173.24 173.77 2kw9 s THR 13 N -2.55 5.47 0.04 1.44 -4.23 -1.26 -5.07 115.64 109.47 2kw9 s THR 13 Ca 0.39 0.20 -0.30 0.00 -1.18 0.00 0.00 61.69 60.79 2kw9 s THR 13 Cb 0.02 -3.43 -0.07 0.00 1.34 0.00 0.00 72.50 70.36 2kw9 s THR 13 CO 0.22 0.55 1.62 -2.16 -0.54 0.00 0.00 174.62 174.30 2kw9 s PRO 14 N -0.47 4.21 0.72 3.99 0.04 -1.26 -5.00 135.00 137.23 2kw9 s PRO 14 Ca 0.12 2.25 -0.12 0.00 0.04 0.00 0.00 61.00 63.29 2kw9 s PRO 14 Cb -0.12 -3.67 0.03 0.00 0.04 0.00 0.00 34.50 30.78 2kw9 s PRO 14 CO 0.02 -0.73 1.09 -0.48 0.04 0.00 0.00 177.00 176.94 2kw9 s LEU 15 N 2.88 3.17 -0.15 -3.56 0.05 -1.26 -5.02 118.68 114.79 2kw9 s LEU 15 Ca 0.72 1.85 -0.15 0.00 0.05 0.00 0.00 54.13 56.60 2kw9 s LEU 15 Cb -0.37 -4.53 -0.12 0.00 -2.05 0.00 0.00 46.19 39.12 2kw9 s LEU 15 CO 0.31 -1.80 0.21 0.74 -0.55 0.00 0.00 176.35 175.26 2kw9 h THR 16 N -0.67 0.70 0.00 5.48 2.02 -2.04 -3.51 112.91 114.89 2kw9 h THR 16 Ca -0.45 -1.65 0.00 0.00 0.77 0.00 0.00 66.41 65.08 2kw9 h THR 16 Cb 1.23 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 2kw9 h THR 16 CO 0.53 0.24 0.00 0.61 0.37 0.00 0.00 175.52 177.27 2kw9 n GLY 17 N 1.61 -0.40 3.14 2.16 0.00 -1.26 -4.68 105.19 105.76 2kw9 n GLY 17 Ca -0.12 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 2.08 0.00 1.61 1.02 -1.26 -5.09 119.74 118.10 2kw9 s LYS 18 Ca 0.00 -1.80 0.00 0.00 0.02 0.00 0.00 55.97 54.19 2kw9 s LYS 18 Cb 0.00 -3.62 0.00 0.00 -0.52 0.00 0.00 37.83 33.69 2kw9 s LYS 18 CO 0.00 -1.08 0.00 -0.35 -0.92 0.00 0.00 175.35 173.00 2kw9 n PRO 19 N 4.64 1.54 0.00 -1.68 -0.05 -1.26 -5.07 135.00 133.12 2kw9 n PRO 19 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.42 2kw9 n PRO 19 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.86 2kw9 n PRO 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2kw9 n GLY 20 N 5.00 -1.31 4.03 0.55 0.00 -1.26 -5.16 105.19 107.04 2kw9 n GLY 20 Ca 0.00 0.59 -0.21 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.00 4.43 -0.03 4.61 0.00 -1.26 -5.04 121.76 123.47 2kw9 s ALA 21 Ca 0.00 -2.11 0.05 0.00 0.00 0.00 0.00 51.96 49.90 2kw9 s ALA 21 Cb 0.00 -1.59 -0.01 0.00 0.00 0.00 0.00 23.12 21.52 2kw9 s ALA 21 CO 0.00 -1.14 -0.16 -0.51 0.00 0.00 0.00 175.76 173.94 2kw9 s LEU 22 N -4.86 1.96 0.33 0.00 1.43 -1.26 -5.13 118.68 111.15 2kw9 s LEU 22 Ca 0.64 -0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 53.14 2kw9 s LEU 22 Cb -0.05 -0.89 -0.10 0.00 0.03 0.00 0.00 46.19 45.18 2kw9 s LEU 22 CO 0.42 0.17 1.38 -2.16 0.23 0.00 0.00 176.35 176.38 2kw9 s PRO 23 N -0.16 4.28 0.00 1.29 0.04 -1.26 -4.90 135.00 134.28 2kw9 s PRO 23 Ca 0.01 2.33 0.19 0.00 0.04 0.00 0.00 61.00 63.57 2kw9 s PRO 23 Cb -0.09 -3.05 1.05 0.00 0.04 0.00 0.00 34.50 32.45 2kw9 s PRO 23 CO 0.01 -0.32 1.56 0.00 0.04 0.00 0.00 177.00 178.28 2kw9 n ALA 24 N 0.95 2.11 0.88 8.56 0.00 -1.26 -3.36 120.51 128.38 2kw9 n ALA 24 Ca 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.36 2kw9 n ALA 24 Cb 0.41 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.14 1.47 -0.37 0.00 4.13 -1.26 -4.28 115.26 113.81 2kw9 n ASN 25 Ca 0.12 -2.10 0.01 0.00 1.68 0.00 0.00 54.58 54.28 2kw9 n ASN 25 Cb 0.11 -0.47 0.15 0.00 -1.54 0.00 0.00 39.78 38.03 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 0.52 1.07 -1.25 3.41 3.38 -1.92 0.30 115.31 120.82 2kw9 h LEU 26 Ca 0.00 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2kw9 h LEU 26 Cb 0.62 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2kw9 h LEU 26 CO 0.06 0.71 0.07 0.44 0.09 0.00 0.00 178.44 179.81 2kw9 h ASP 27 N 1.23 0.53 -0.16 -0.43 5.19 -1.92 -3.13 116.42 117.73 2kw9 h ASP 27 Ca 0.41 -0.08 -0.15 0.00 -0.62 0.00 0.00 57.03 56.58 2kw9 h ASP 27 Cb 0.06 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.43 2kw9 h ASP 27 CO -0.14 0.56 -0.50 -0.78 -3.12 0.00 0.00 179.24 175.25 2kw9 h ASP 28 N 0.56 0.73 -4.31 6.45 3.58 -1.32 -3.45 116.42 118.66 2kw9 h ASP 28 Ca 0.13 -0.59 -0.52 0.00 0.42 0.00 0.00 57.03 56.47 2kw9 h ASP 28 Cb 0.26 -0.21 0.14 0.00 1.72 0.00 0.00 39.33 41.23 2kw9 h ASP 28 CO 0.00 1.19 0.31 -0.04 -2.88 0.00 0.00 179.24 177.83 2kw9 s MET 29 N -3.88 2.16 0.66 0.28 -1.94 -0.24 -5.04 119.30 111.30 2kw9 s MET 29 Ca -0.12 1.21 -0.03 0.00 -1.71 0.00 0.00 55.69 55.04 2kw9 s MET 29 Cb 0.07 -1.88 0.07 0.00 2.01 0.00 0.00 34.83 35.09 2kw9 s MET 29 CO 0.84 -1.72 0.94 0.15 -0.01 0.00 0.00 175.02 175.22 2kw9 s LYS 30 N -4.85 2.18 0.15 2.03 1.02 -1.26 -4.89 119.74 114.12 2kw9 s LYS 30 Ca 0.62 -0.57 -0.16 0.00 0.02 0.00 0.00 55.97 55.87 2kw9 s LYS 30 Cb -0.18 -2.29 0.06 0.00 -0.52 0.00 0.00 37.83 34.90 2kw9 s LYS 30 CO 0.56 -1.13 1.74 0.28 -0.92 0.00 0.00 175.35 175.88 2kw9 h VAL 31 N -0.40 0.88 -0.88 3.17 2.07 -1.96 -1.51 116.25 117.62 2kw9 h VAL 31 Ca -0.42 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.05 2kw9 h VAL 31 Cb 1.30 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 2kw9 h VAL 31 CO 0.54 0.04 0.58 0.00 0.02 0.00 0.00 177.57 178.75 2kw9 h ALA 32 N 1.23 1.46 -0.32 1.67 0.00 -1.99 -0.45 119.26 120.86 2kw9 h ALA 32 Ca 0.16 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2kw9 h ALA 32 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2kw9 h ALA 32 CO -0.18 0.45 -0.31 0.93 0.00 0.00 0.00 179.25 180.15 2kw9 h GLU 33 N 1.09 0.77 -0.22 0.00 5.08 -1.81 -1.88 114.58 117.62 2kw9 h GLU 33 Ca 0.35 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2kw9 h GLU 33 Cb 0.04 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2kw9 h GLU 33 CO -0.11 1.03 0.09 -0.07 -1.00 0.00 0.00 179.01 178.95 2kw9 h LEU 34 N 0.54 0.31 -1.34 1.33 3.38 -0.82 -2.33 115.31 116.39 2kw9 h LEU 34 Ca 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2kw9 h LEU 34 Cb 0.89 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 2kw9 h LEU 34 CO 0.08 0.40 0.27 0.11 0.09 0.00 0.00 178.44 179.38 2kw9 h LYS 35 N 0.20 0.72 -0.53 1.13 1.57 -1.11 -0.94 116.57 117.61 2kw9 h LYS 35 Ca 0.07 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kw9 h LYS 35 Cb 0.18 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2kw9 h LYS 35 CO -0.01 0.55 0.33 0.37 -0.57 0.00 0.00 179.45 180.12 2kw9 h GLN 36 N 0.73 0.72 -0.66 3.15 -0.00 -1.06 -0.04 115.11 117.95 2kw9 h GLN 36 Ca 0.19 -0.06 -0.06 0.00 -0.00 0.00 0.00 58.65 58.72 2kw9 h GLN 36 Cb 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 27.48 27.35 2kw9 h GLN 36 CO -0.03 0.51 0.18 0.93 0.00 0.00 0.00 178.83 180.42 2kw9 h GLU 37 N 0.72 1.04 0.54 1.69 4.39 -0.96 -3.12 114.58 118.89 2kw9 h GLU 37 Ca 0.19 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2kw9 h GLU 37 Cb -0.04 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.48 2kw9 h GLU 37 CO -0.04 0.92 -0.26 -0.07 -1.16 0.00 0.00 179.01 178.40 2kw9 h LEU 38 N 0.97 -0.62 -1.53 1.33 3.38 -0.76 -3.21 115.31 114.87 2kw9 h LEU 38 Ca 0.21 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.24 2kw9 h LEU 38 Cb 0.33 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2kw9 h LEU 38 CO -0.00 -0.36 0.42 0.07 0.09 0.00 0.00 178.44 178.65 2kw9 h LYS 39 N -0.84 0.54 -0.27 1.13 2.10 -1.07 0.30 116.57 118.45 2kw9 h LYS 39 Ca -0.07 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 58.50 2kw9 h LYS 39 Cb 0.61 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 31.80 2kw9 h LYS 39 CO 0.12 0.36 -0.02 -0.07 -2.00 0.00 0.00 179.45 177.84 2kw9 h LEU 40 N 0.55 0.39 -3.51 7.07 3.38 -1.56 -2.82 115.31 118.80 2kw9 h LEU 40 Ca 0.28 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 2kw9 h LEU 40 Cb 0.39 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 2kw9 h LEU 40 CO -0.09 0.46 0.10 0.54 0.09 0.00 0.00 178.44 179.55 2kw9 n ARG 41 N -4.31 3.33 -1.71 1.13 1.74 -0.06 -4.94 116.66 111.85 2kw9 n ARG 41 Ca 0.01 -3.04 -0.16 0.00 -0.77 0.00 0.00 57.85 53.89 2kw9 n ARG 41 Cb 0.23 -2.05 -0.05 0.00 -1.02 0.00 0.00 32.46 29.57 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 -0.33 -4.93 -4.77 0.55 2.88 -0.81 -4.98 113.62 101.23 2kw9 n SER 42 Ca 0.32 0.29 -0.38 0.00 -1.33 0.00 0.00 58.87 57.77 2kw9 n SER 42 Cb 1.16 -3.92 -0.06 0.00 -0.75 0.00 0.00 64.21 60.64 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 -3.99 4.37 -0.25 2.46 1.43 -0.28 -4.99 118.68 117.44 2kw9 s LEU 43 Ca 0.00 0.91 -0.36 0.00 -1.03 0.00 0.00 54.13 53.65 2kw9 s LEU 43 Cb 0.00 -2.67 -0.12 0.00 0.03 0.00 0.00 46.19 43.42 2kw9 s LEU 43 CO 0.00 0.14 2.00 -2.65 0.23 0.00 0.00 176.35 176.07 2kw9 n PRO 44 N 2.84 1.48 0.01 1.29 -0.02 -1.26 -3.93 135.00 135.42 2kw9 n PRO 44 Ca -0.10 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 62.00 2kw9 n PRO 44 Cb 0.52 -2.48 0.39 0.00 -0.02 0.00 0.00 33.50 31.91 2kw9 n PRO 44 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2kw9 n VAL 45 N 6.02 0.07 0.57 -1.45 0.24 -1.26 -4.33 118.33 118.19 2kw9 n VAL 45 Ca 0.32 -0.04 -0.01 0.00 -2.04 0.00 0.00 64.34 62.56 2kw9 n VAL 45 Cb 0.24 -0.12 0.01 0.00 -1.47 0.00 0.00 33.84 32.50 2kw9 n VAL 45 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2kw9 n SER 46 N -1.61 3.59 -4.91 -1.34 2.88 -1.26 -4.86 113.62 106.12 2kw9 n SER 46 Ca 0.06 -2.16 -0.24 0.00 -1.33 0.00 0.00 58.87 55.19 2kw9 n SER 46 Cb 0.35 -0.66 -0.00 0.00 -0.75 0.00 0.00 64.21 63.15 2kw9 n SER 46 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2kw9 s GLY 47 N 1.11 2.22 0.74 0.46 0.00 -1.26 -5.12 107.32 105.47 2kw9 s GLY 47 Ca 0.03 -1.56 -0.11 0.00 0.00 0.00 0.00 44.72 43.08 2kw9 s GLY 47 CO 0.00 -1.85 1.08 -0.51 0.00 0.00 0.00 173.10 171.83 2kw9 s THR 48 N -2.69 3.52 0.30 0.90 -4.23 -1.26 -4.72 115.64 107.45 2kw9 s THR 48 Ca 0.42 0.49 0.04 0.00 -1.18 0.00 0.00 61.69 61.46 2kw9 s THR 48 Cb -0.03 -3.30 0.33 0.00 1.34 0.00 0.00 72.50 70.84 2kw9 s THR 48 CO 0.25 -0.64 1.63 0.50 -0.54 0.00 0.00 174.62 175.82 2kw9 h LYS 49 N -0.85 0.17 -0.26 3.99 1.63 -1.99 0.96 116.57 120.21 2kw9 h LYS 49 Ca -0.46 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.26 2kw9 h LYS 49 Cb 1.24 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 2kw9 h LYS 49 CO 0.60 0.11 -0.11 1.15 -3.45 0.00 0.00 179.45 177.75 2kw9 h THR 50 N 0.17 1.30 -0.73 1.00 2.02 -1.99 -3.10 112.91 111.57 2kw9 h THR 50 Ca 0.59 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 2kw9 h THR 50 Cb 1.23 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 69.14 2kw9 h THR 50 CO -0.70 0.37 0.45 -0.33 0.37 0.00 0.00 175.52 175.68 2kw9 h GLU 51 N 0.26 0.98 -0.97 6.66 5.08 -1.27 -1.15 114.58 124.17 2kw9 h GLU 51 Ca 0.06 -0.08 0.12 0.00 -1.00 0.00 0.00 59.36 58.45 2kw9 h GLU 51 Cb 0.61 -0.21 -0.08 0.00 0.50 0.00 0.00 28.75 29.58 2kw9 h GLU 51 CO 0.04 0.69 0.62 -0.07 -1.00 0.00 0.00 179.01 179.28 2kw9 h LEU 52 N 0.99 0.87 0.40 1.33 3.38 -0.93 0.14 115.31 121.48 2kw9 h LEU 52 Ca 0.26 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 2kw9 h LEU 52 Cb -0.05 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2kw9 h LEU 52 CO -0.05 0.47 -0.19 0.40 0.09 0.00 0.00 178.44 179.15 2kw9 h ILE 53 N 0.93 0.27 -0.16 1.22 2.04 -1.33 -2.93 117.51 117.56 2kw9 h ILE 53 Ca 0.47 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2kw9 h ILE 53 Cb 0.51 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2kw9 h ILE 53 CO -0.24 0.06 0.04 -0.33 0.00 0.00 0.00 178.15 177.68 2kw9 h GLU 54 N -1.05 0.22 -0.58 2.37 5.08 -1.05 -1.16 114.58 118.40 2kw9 h GLU 54 Ca -0.06 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 2kw9 h GLU 54 Cb 0.51 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2kw9 h GLU 54 CO 0.09 0.21 0.06 -0.09 -1.00 0.00 0.00 179.01 178.28 2kw9 h ARG 55 N 0.22 0.98 -0.18 2.33 2.43 -0.80 0.30 114.38 119.66 2kw9 h ARG 55 Ca 0.06 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 2kw9 h ARG 55 Cb 0.09 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2kw9 h ARG 55 CO -0.00 0.94 0.06 -0.07 -1.51 0.00 0.00 179.97 179.39 2kw9 h LEU 56 N 0.87 0.25 -0.62 3.80 3.38 -1.15 -1.46 115.31 120.38 2kw9 h LEU 56 Ca 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2kw9 h LEU 56 Cb 0.46 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2kw9 h LEU 56 CO 0.02 0.37 0.34 0.03 0.09 0.00 0.00 178.44 179.29 2kw9 h ARG 57 N 0.12 0.87 -0.67 1.13 3.08 -1.09 -0.93 114.38 116.90 2kw9 h ARG 57 Ca 0.06 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 2kw9 h ARG 57 Cb 0.21 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2kw9 h ARG 57 CO -0.00 0.66 0.13 0.00 -1.07 0.00 0.00 179.97 179.69 2kw9 h ALA 58 N 1.16 0.97 -0.19 0.04 0.00 -0.36 0.15 119.26 121.02 2kw9 h ALA 58 Ca 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2kw9 h ALA 58 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2kw9 h ALA 58 CO -0.03 0.66 0.05 -0.92 0.00 0.00 0.00 179.25 179.00 2kw9 h TYR 59 N 1.02 0.33 -0.87 0.00 3.20 -1.03 -1.77 116.97 117.85 2kw9 h TYR 59 Ca 0.21 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.05 2kw9 h TYR 59 Cb 0.40 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 2kw9 h TYR 59 CO 0.03 0.43 0.57 0.37 -1.64 0.00 0.00 178.16 177.92 2kw9 h GLN 60 N 0.13 1.15 -0.07 1.82 5.75 -0.99 -2.43 115.11 120.47 2kw9 h GLN 60 Ca 0.06 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2kw9 h GLN 60 Cb 0.27 -0.26 -0.00 0.00 1.07 0.00 0.00 27.48 28.56 2kw9 h GLN 60 CO 0.00 0.77 0.04 0.22 -2.65 0.00 0.00 178.83 177.21 2kw9 h ASP 61 N 1.18 0.06 0.77 -0.69 3.58 -0.55 -0.70 116.42 120.06 2kw9 h ASP 61 Ca 0.32 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.70 2kw9 h ASP 61 Cb -0.12 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 2kw9 h ASP 61 CO -0.07 0.05 -0.32 0.06 -2.88 0.00 0.00 179.24 176.09 2kw9 h GLN 62 N 0.08 0.00 0.00 0.28 3.07 -1.19 -2.93 115.11 114.43 2kw9 h GLN 62 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.77 2kw9 h GLN 62 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2kw9 h GLN 62 CO -0.01 0.32 -0.92 0.44 0.09 0.00 0.00 178.83 178.74 2kw9 n ILE 63 N -3.56 0.49 -3.22 1.86 -5.35 -0.93 -4.86 119.36 103.79 2kw9 n ILE 63 Ca -0.00 -0.44 -0.39 0.00 -0.27 0.00 0.00 62.75 61.65 2kw9 n ILE 63 Cb 0.45 -0.21 -0.06 0.00 -1.74 0.00 0.00 39.64 38.09 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 -4.88 6.76 -0.89 7.28 0.15 -0.28 -4.99 113.70 116.85 2kw9 s SER 64 Ca 0.02 0.91 -0.25 0.00 0.70 0.00 0.00 55.95 57.32 2kw9 s SER 64 Cb 0.11 -2.33 -0.12 0.00 -1.71 0.00 0.00 66.02 61.97 2kw9 s SER 64 CO 0.78 -0.06 2.22 -2.84 1.20 0.00 0.00 173.24 174.53 2kw9 s PRO 65 N 0.84 1.85 0.07 5.44 0.02 -1.26 -4.90 135.00 137.05 2kw9 s PRO 65 Ca 0.29 0.05 0.08 0.00 0.02 0.00 0.00 61.00 61.44 2kw9 s PRO 65 Cb -0.16 -4.92 -0.03 0.00 0.02 0.00 0.00 34.50 29.41 2kw9 s PRO 65 CO 0.12 -4.29 -0.20 0.14 -0.33 0.00 0.00 177.00 172.45 2kw9 s VAL 66 N 13.63 2.69 0.18 3.83 -7.23 -1.26 -5.05 120.40 127.19 2kw9 s VAL 66 Ca 0.83 -1.33 -0.14 0.00 -1.81 0.00 0.00 61.98 59.53 2kw9 s VAL 66 Cb -0.09 -2.15 0.09 0.00 0.56 0.00 0.00 36.38 34.78 2kw9 s VAL 66 CO 0.07 0.26 1.71 -0.65 -0.31 0.00 0.00 175.10 176.18 2kw9 h PRO 67 N 4.31 0.16 -1.44 4.82 0.11 -1.99 -2.13 132.00 135.83 2kw9 h PRO 67 Ca -0.48 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 2kw9 h PRO 67 Cb 1.16 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 2kw9 h PRO 67 CO 0.46 0.10 0.17 0.41 -0.21 0.00 0.00 178.00 178.94 2kw9 n GLY 68 N -1.28 2.95 3.67 -0.55 0.00 -1.26 -4.95 105.19 103.77 2kw9 n GLY 68 Ca 0.04 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 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 0.60 0.18 -1.54 4.61 0.00 -0.81 -4.95 120.51 118.61 2kw9 n ALA 69 Ca 0.14 -0.19 -0.37 0.00 0.00 0.00 0.00 53.44 53.03 2kw9 n ALA 69 Cb 0.63 -2.21 0.07 0.00 0.00 0.00 0.00 19.45 17.95 2kw9 n ALA 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kw9 n PRO 70 N -2.33 0.79 0.27 0.00 -0.04 -1.26 -4.90 135.00 127.53 2kw9 n PRO 70 Ca 0.14 0.32 0.17 0.00 -0.04 0.00 0.00 63.50 64.09 2kw9 n PRO 70 Cb 0.49 -2.30 0.66 0.00 -0.04 0.00 0.00 33.50 32.31 2kw9 n PRO 70 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2kw9 h LYS 71 N 0.17 0.00 -6.42 0.54 3.64 -2.01 -3.43 116.57 109.05 2kw9 h LYS 71 Ca -0.49 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.35 2kw9 h LYS 71 Cb 1.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2kw9 h LYS 71 CO 0.50 0.00 0.76 0.00 -2.27 0.00 0.00 179.45 178.44 2kw9 s ALA 72 N -3.64 3.55 1.14 5.00 0.00 -1.26 -5.03 121.76 121.52 2kw9 s ALA 72 Ca 0.02 0.91 -0.16 0.00 0.00 0.00 0.00 51.96 52.73 2kw9 s ALA 72 Cb 0.09 -3.56 0.25 0.00 0.00 0.00 0.00 23.12 19.91 2kw9 s ALA 72 CO 0.54 -0.77 1.09 -2.14 0.00 0.00 0.00 175.76 174.48 2kw9 s PRO 73 N 1.91 -0.68 0.33 0.00 0.02 -1.26 -4.97 135.00 130.35 2kw9 s PRO 73 Ca 0.63 0.20 -0.29 0.00 0.02 0.00 0.00 61.00 61.55 2kw9 s PRO 73 Cb -0.32 -1.64 -0.11 0.00 0.02 0.00 0.00 34.50 32.46 2kw9 s PRO 73 CO 0.27 -3.41 1.50 0.00 -0.33 0.00 0.00 177.00 175.03 2kw9 s ALA 74 N -2.94 3.63 -2.09 -1.55 0.00 -1.26 -5.16 121.76 112.39 2kw9 s ALA 74 Ca 0.69 1.51 0.17 0.00 0.00 0.00 0.00 51.96 54.32 2kw9 s ALA 74 Cb -0.14 -3.60 0.13 0.00 0.00 0.00 0.00 23.12 19.51 2kw9 s ALA 74 CO 0.57 -0.95 1.03 0.00 0.00 0.00 0.00 175.76 176.41