#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 1.61 3.15 3.03 0.00 -1.26 -4.66 105.19 107.07 2kw9 n GLY 2 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 2kw9 n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kw9 n HIS 3 N 0.00 -2.26 -2.09 1.61 -0.00 -1.26 -4.89 115.22 106.34 2kw9 n HIS 3 Ca 0.00 0.81 -0.28 0.00 -0.00 0.00 0.00 57.72 58.25 2kw9 n HIS 3 Cb 0.00 -4.26 -0.05 0.00 -0.00 0.00 0.00 29.99 25.67 2kw9 n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kw9 s HIS 4 N -3.26 1.91 0.26 1.57 5.65 -1.26 -4.94 115.29 115.22 2kw9 s HIS 4 Ca 0.42 0.46 -0.30 0.00 0.25 0.00 0.00 55.06 55.89 2kw9 s HIS 4 Cb -0.19 -4.07 -0.10 0.00 -1.18 0.00 0.00 32.58 27.04 2kw9 s HIS 4 CO 0.58 -1.54 1.46 -3.38 -0.65 0.00 0.00 174.74 171.22 2kw9 s HIS 5 N 10.14 2.97 -0.40 3.88 0.00 -1.26 -5.00 115.29 125.61 2kw9 s HIS 5 Ca 0.68 1.00 0.02 0.00 -3.00 0.00 0.00 55.06 53.76 2kw9 s HIS 5 Cb -0.04 -3.86 0.12 0.00 -4.00 0.00 0.00 32.58 24.81 2kw9 s HIS 5 CO 0.05 -2.79 0.18 -3.38 -1.00 0.00 0.00 174.74 167.80 2kw9 s HIS 6 N -0.06 2.16 -0.25 0.38 0.00 -1.26 -5.10 115.29 111.15 2kw9 s HIS 6 Ca 0.59 -2.35 -0.11 0.00 -3.00 0.00 0.00 55.06 50.20 2kw9 s HIS 6 Cb -0.43 -2.00 -0.05 0.00 -4.00 0.00 0.00 32.58 26.10 2kw9 s HIS 6 CO 0.45 -0.82 0.18 -1.58 -1.00 0.00 0.00 174.74 171.97 2kw9 s HIS 7 N 0.70 3.30 -0.07 0.38 2.46 -1.26 -5.08 115.29 115.72 2kw9 s HIS 7 Ca 0.15 0.23 -0.05 0.00 0.47 0.00 0.00 55.06 55.85 2kw9 s HIS 7 Cb -0.22 -2.31 0.02 0.00 -0.13 0.00 0.00 32.58 29.94 2kw9 s HIS 7 CO -0.07 0.01 0.17 -3.38 -2.47 0.00 0.00 174.74 168.99 2kw9 s HIS 8 N 1.25 -0.19 -0.05 3.88 0.00 -1.26 -5.15 115.29 113.77 2kw9 s HIS 8 Ca 0.08 0.47 -0.03 0.00 -3.00 0.00 0.00 55.06 52.59 2kw9 s HIS 8 Cb -0.14 0.04 0.03 0.00 -4.00 0.00 0.00 32.58 28.50 2kw9 s HIS 8 CO 0.06 -0.11 0.11 -1.54 -1.00 0.00 0.00 174.74 172.26 2kw9 s SER 9 N 0.33 -0.08 -0.28 7.38 1.04 -1.26 -5.16 113.70 115.67 2kw9 s SER 9 Ca -0.02 0.22 -0.20 0.00 0.48 0.00 0.00 55.95 56.43 2kw9 s SER 9 Cb -0.03 0.15 0.10 0.00 0.10 0.00 0.00 66.02 66.34 2kw9 s SER 9 CO -0.01 -0.10 0.84 -2.28 0.98 0.00 0.00 173.24 172.67 2kw9 s HIS 10 N 0.70 -0.76 0.39 5.02 5.65 -1.26 -5.18 115.29 119.85 2kw9 s HIS 10 Ca -0.05 1.64 0.04 0.00 0.25 0.00 0.00 55.06 56.93 2kw9 s HIS 10 Cb -0.07 0.43 -0.03 0.00 -1.18 0.00 0.00 32.58 31.73 2kw9 s HIS 10 CO -0.03 -0.37 0.15 0.00 -0.65 0.00 0.00 174.74 173.84 2kw9 s MET 11 N 0.98 1.87 0.07 2.88 0.00 -1.26 -5.17 119.30 118.67 2kw9 s MET 11 Ca -0.05 -2.12 0.07 0.00 0.00 0.00 0.00 55.69 53.59 2kw9 s MET 11 Cb -0.05 -0.43 -0.04 0.00 0.00 0.00 0.00 34.83 34.31 2kw9 s MET 11 CO -0.11 -0.49 -0.16 -1.54 0.00 0.00 0.00 175.02 172.71 2kw9 s SER 12 N -3.55 3.96 -0.22 -1.18 1.04 -1.26 -5.13 113.70 107.36 2kw9 s SER 12 Ca 0.27 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 56.24 2kw9 s SER 12 Cb 0.03 -0.65 0.06 0.00 0.10 0.00 0.00 66.02 65.57 2kw9 s SER 12 CO 0.17 0.22 0.01 0.42 0.98 0.00 0.00 173.24 175.03 2kw9 s THR 13 N -1.04 0.96 0.88 2.02 -4.23 -1.26 -5.15 115.64 107.82 2kw9 s THR 13 Ca 0.17 -0.90 -0.15 0.00 -1.18 0.00 0.00 61.69 59.63 2kw9 s THR 13 Cb -0.11 -1.39 0.21 0.00 1.34 0.00 0.00 72.50 72.55 2kw9 s THR 13 CO 0.08 -0.21 1.01 -0.81 -0.54 0.00 0.00 174.62 174.15 2kw9 n PRO 14 N 4.88 -1.74 -2.24 3.99 -0.04 -1.26 -4.96 135.00 133.64 2kw9 n PRO 14 Ca -0.10 -1.58 -0.41 0.00 -0.04 0.00 0.00 63.50 61.38 2kw9 n PRO 14 Cb 0.45 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.68 2kw9 n PRO 14 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kw9 s LEU 15 N 0.00 3.40 -0.48 1.53 1.43 -1.26 -4.96 118.68 118.34 2kw9 s LEU 15 Ca 0.60 0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 53.91 2kw9 s LEU 15 Cb -0.03 -3.03 0.02 0.00 0.03 0.00 0.00 46.19 43.17 2kw9 s LEU 15 CO 0.44 -1.85 1.33 0.42 0.23 0.00 0.00 176.35 176.91 2kw9 s THR 16 N 6.89 3.96 0.00 5.49 -4.23 -1.26 -4.87 115.64 121.61 2kw9 s THR 16 Ca 0.61 0.93 0.00 0.00 -1.18 0.00 0.00 61.69 62.05 2kw9 s THR 16 Cb -0.13 -4.41 0.00 0.00 1.34 0.00 0.00 72.50 69.29 2kw9 s THR 16 CO 0.26 -0.98 0.00 0.61 -0.54 0.00 0.00 174.62 173.96 2kw9 n GLY 17 N 5.07 3.02 0.94 3.99 0.00 -1.25 -4.71 105.19 112.26 2kw9 n GLY 17 Ca 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2kw9 n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kw9 n LYS 18 N 0.00 -2.67 -2.73 1.61 4.76 -1.26 -3.12 118.16 114.75 2kw9 n LYS 18 Ca 0.00 2.01 -0.42 0.00 -2.87 0.00 0.00 58.31 57.02 2kw9 n LYS 18 Cb 0.00 -2.30 -0.03 0.00 -1.84 0.00 0.00 35.03 30.86 2kw9 n LYS 18 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kw9 s PRO 19 N -4.69 3.28 -0.97 1.97 0.04 -1.26 -2.67 135.00 130.69 2kw9 s PRO 19 Ca 0.00 -0.31 -0.17 0.00 0.04 0.00 0.00 61.00 60.57 2kw9 s PRO 19 Cb 0.00 -4.12 -0.10 0.00 0.04 0.00 0.00 34.50 30.32 2kw9 s PRO 19 CO 0.00 -1.76 2.07 0.41 0.04 0.00 0.00 177.00 177.76 2kw9 n GLY 20 N 5.22 3.11 0.00 0.56 0.00 -1.26 -4.83 105.19 108.00 2kw9 n GLY 20 Ca 0.02 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 6.39 0.00 -2.72 4.61 0.00 -1.26 -4.77 120.51 122.76 2kw9 n ALA 21 Ca 0.50 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.70 2kw9 n ALA 21 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 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 4.10 1.07 0.00 1.43 -1.26 -5.11 118.68 118.91 2kw9 s LEU 22 Ca 0.00 0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 53.37 2kw9 s LEU 22 Cb 0.00 -3.23 0.23 0.00 0.03 0.00 0.00 46.19 43.23 2kw9 s LEU 22 CO 0.00 -0.21 1.07 -2.84 0.23 0.00 0.00 176.35 174.59 2kw9 s PRO 23 N -4.06 -0.19 -0.03 1.29 0.02 -1.26 -5.02 135.00 125.73 2kw9 s PRO 23 Ca 0.39 1.00 -0.03 0.00 0.02 0.00 0.00 61.00 62.37 2kw9 s PRO 23 Cb -0.10 -1.63 -0.02 0.00 0.02 0.00 0.00 34.50 32.78 2kw9 s PRO 23 CO 0.33 -3.28 0.23 0.00 -0.33 0.00 0.00 177.00 173.95 2kw9 h ALA 24 N -2.31 -0.22 -0.11 -1.55 0.00 -2.06 -3.39 119.26 109.62 2kw9 h ALA 24 Ca -0.56 -0.03 -0.71 0.00 0.00 0.00 0.00 54.91 53.62 2kw9 h ALA 24 Cb 1.31 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 2kw9 h ALA 24 CO 0.49 -0.21 3.16 0.09 0.00 0.00 0.00 179.25 182.79 2kw9 n ASN 25 N -3.45 5.18 0.10 0.00 4.13 -1.26 -4.77 115.26 115.19 2kw9 n ASN 25 Ca -0.02 -2.82 -0.13 0.00 1.68 0.00 0.00 54.58 53.30 2kw9 n ASN 25 Cb 0.05 -1.61 -0.07 0.00 -1.54 0.00 0.00 39.78 36.61 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 9.00 -0.26 -0.86 3.41 3.38 -1.95 -1.65 115.31 126.37 2kw9 h LEU 26 Ca 0.62 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.62 2kw9 h LEU 26 Cb 0.55 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2kw9 h LEU 26 CO 1.83 -0.16 0.00 -0.78 0.09 0.00 0.00 178.44 179.42 2kw9 h ASP 27 N -0.23 0.00 1.44 -0.43 3.58 -1.97 -2.03 116.42 116.78 2kw9 h ASP 27 Ca 0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 2kw9 h ASP 27 Cb 0.21 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 2kw9 h ASP 27 CO -0.02 0.00 -0.57 0.44 -2.88 0.00 0.00 179.24 176.21 2kw9 h ASP 28 N 0.00 0.00 -3.87 2.28 5.19 -1.82 -3.45 116.42 114.75 2kw9 h ASP 28 Ca 0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 2kw9 h ASP 28 Cb 0.50 0.00 0.06 0.00 0.18 0.00 0.00 39.33 40.07 2kw9 h ASP 28 CO 0.00 0.53 0.62 -0.04 -3.12 0.00 0.00 179.24 177.23 2kw9 s MET 29 N -2.95 4.39 0.63 3.56 -1.94 -0.67 -4.99 119.30 117.33 2kw9 s MET 29 Ca 0.04 2.17 -0.17 0.00 -1.71 0.00 0.00 55.69 56.01 2kw9 s MET 29 Cb 0.08 -3.08 -0.02 0.00 2.01 0.00 0.00 34.83 33.82 2kw9 s MET 29 CO 0.75 -0.14 1.17 0.15 -0.01 0.00 0.00 175.02 176.94 2kw9 s LYS 30 N -1.74 2.83 0.28 2.03 1.02 -1.26 -4.78 119.74 118.11 2kw9 s LYS 30 Ca 0.48 1.68 0.02 0.00 0.02 0.00 0.00 55.97 58.17 2kw9 s LYS 30 Cb -0.39 -1.93 0.64 0.00 -0.52 0.00 0.00 37.83 35.64 2kw9 s LYS 30 CO 0.52 -1.29 1.72 0.28 -0.92 0.00 0.00 175.35 175.66 2kw9 h VAL 31 N 0.51 0.57 -0.62 3.17 2.07 -1.95 0.18 116.25 120.19 2kw9 h VAL 31 Ca -0.49 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 2kw9 h VAL 31 Cb 1.28 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2kw9 h VAL 31 CO 0.54 0.09 0.22 0.00 0.02 0.00 0.00 177.57 178.44 2kw9 h ALA 32 N 1.65 1.23 -0.70 1.67 0.00 -1.99 -2.15 119.26 118.96 2kw9 h ALA 32 Ca 0.52 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 2kw9 h ALA 32 Cb 0.89 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2kw9 h ALA 32 CO -0.46 0.55 0.20 0.93 0.00 0.00 0.00 179.25 180.47 2kw9 h GLU 33 N 0.89 1.10 -0.34 0.00 5.08 -1.01 0.37 114.58 120.67 2kw9 h GLU 33 Ca 0.21 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2kw9 h GLU 33 Cb 0.21 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2kw9 h GLU 33 CO -0.01 0.96 0.18 -0.07 -1.00 0.00 0.00 179.01 179.06 2kw9 h LEU 34 N 1.04 0.43 -1.39 1.33 3.38 -1.12 -2.11 115.31 116.87 2kw9 h LEU 34 Ca 0.22 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2kw9 h LEU 34 Cb 0.34 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2kw9 h LEU 34 CO -0.00 0.42 -0.07 0.11 0.09 0.00 0.00 178.44 178.99 2kw9 h LYS 35 N 0.42 0.32 -0.68 1.13 1.57 -1.14 -0.68 116.57 117.51 2kw9 h LYS 35 Ca 0.12 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2kw9 h LYS 35 Cb 0.09 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2kw9 h LYS 35 CO -0.02 0.41 0.29 0.37 -0.57 0.00 0.00 179.45 179.93 2kw9 h GLN 36 N 0.31 1.00 -0.18 3.15 -0.00 -0.53 -1.23 115.11 117.64 2kw9 h GLN 36 Ca 0.07 -0.17 -0.04 0.00 -0.00 0.00 0.00 58.65 58.51 2kw9 h GLN 36 Cb 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 27.48 27.63 2kw9 h GLN 36 CO 0.01 0.82 -0.04 0.93 0.00 0.00 0.00 178.83 180.56 2kw9 h GLU 37 N 0.96 0.35 -0.15 1.69 4.39 -0.96 -3.15 114.58 117.71 2kw9 h GLU 37 Ca 0.23 -0.13 0.05 0.00 0.34 0.00 0.00 59.36 59.85 2kw9 h GLU 37 Cb 0.18 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.75 2kw9 h GLU 37 CO -0.02 0.60 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.17 2kw9 h LEU 38 N 0.07 -0.60 -0.97 1.33 3.38 -0.93 -2.55 115.31 115.04 2kw9 h LEU 38 Ca 0.05 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2kw9 h LEU 38 Cb 0.47 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 2kw9 h LEU 38 CO 0.02 -0.24 0.64 0.07 0.09 0.00 0.00 178.44 179.01 2kw9 h LYS 39 N -0.23 1.19 -0.04 1.13 2.10 -1.31 0.87 116.57 120.28 2kw9 h LYS 39 Ca 0.10 -0.07 0.01 0.00 -2.00 0.00 0.00 60.65 58.69 2kw9 h LYS 39 Cb 0.39 -0.27 -0.00 0.00 -0.90 0.00 0.00 32.23 31.45 2kw9 h LYS 39 CO -0.28 0.79 0.03 -0.07 -2.00 0.00 0.00 179.45 177.91 2kw9 h LEU 40 N 1.23 0.01 -3.04 7.07 3.38 -1.43 -2.04 115.31 120.48 2kw9 h LEU 40 Ca 0.39 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2kw9 h LEU 40 Cb 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2kw9 h LEU 40 CO -0.13 0.01 0.00 0.54 0.09 0.00 0.00 178.44 178.95 2kw9 n ARG 41 N -4.53 3.59 -1.46 1.13 1.74 -0.05 -4.92 116.66 112.17 2kw9 n ARG 41 Ca -0.02 -2.84 -0.16 0.00 -0.77 0.00 0.00 57.85 54.06 2kw9 n ARG 41 Cb 0.12 -1.85 -0.07 0.00 -1.02 0.00 0.00 32.46 29.64 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 1.23 -5.02 -4.86 0.55 7.64 -0.77 -4.99 113.62 107.41 2kw9 n SER 42 Ca 0.26 0.39 -0.34 0.00 1.01 0.00 0.00 58.87 60.19 2kw9 n SER 42 Cb 0.85 -3.91 -0.06 0.00 -1.01 0.00 0.00 64.21 60.08 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 -3.60 4.29 0.26 -3.43 1.43 0.10 -4.99 118.68 112.74 2kw9 s LEU 43 Ca 0.00 0.99 -0.31 0.00 -1.03 0.00 0.00 54.13 53.78 2kw9 s LEU 43 Cb 0.00 -3.35 -0.12 0.00 0.03 0.00 0.00 46.19 42.74 2kw9 s LEU 43 CO 0.00 0.06 1.56 -2.65 0.23 0.00 0.00 176.35 175.55 2kw9 n PRO 44 N 0.53 2.49 -0.00 1.29 -0.02 -1.26 -3.92 135.00 134.10 2kw9 n PRO 44 Ca -0.04 0.89 0.07 0.00 -2.02 0.00 0.00 63.50 62.40 2kw9 n PRO 44 Cb 0.52 -2.64 -0.10 0.00 -0.02 0.00 0.00 33.50 31.26 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 2.38 0.00 -0.38 -1.45 0.24 -1.26 -4.61 118.33 113.24 2kw9 n VAL 45 Ca 0.11 -0.20 -0.08 0.00 -2.04 0.00 0.00 64.34 62.12 2kw9 n VAL 45 Cb 0.34 0.75 0.03 0.00 -1.47 0.00 0.00 33.84 33.49 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 -1.56 5.15 -4.88 -1.34 3.41 -1.26 -4.88 113.62 108.26 2kw9 n SER 46 Ca 0.01 -2.65 -0.23 0.00 -0.26 0.00 0.00 58.87 55.73 2kw9 n SER 46 Cb 0.29 -0.95 -0.02 0.00 -0.26 0.00 0.00 64.21 63.27 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 0.87 2.24 0.64 5.00 0.00 -1.26 -5.13 107.32 109.67 2kw9 s GLY 47 Ca 0.16 -1.67 -0.10 0.00 0.00 0.00 0.00 44.72 43.10 2kw9 s GLY 47 CO 0.01 -1.83 1.03 -0.51 0.00 0.00 0.00 173.10 171.80 2kw9 s THR 48 N -2.63 4.17 0.14 0.90 -4.23 -1.26 -4.76 115.64 107.97 2kw9 s THR 48 Ca 0.42 0.61 -0.27 0.00 -1.18 0.00 0.00 61.69 61.28 2kw9 s THR 48 Cb -0.02 -3.69 -0.06 0.00 1.34 0.00 0.00 72.50 70.07 2kw9 s THR 48 CO 0.25 -0.88 1.36 1.17 -0.54 0.00 0.00 174.62 175.99 2kw9 n LYS 49 N -2.80 -0.38 -0.34 3.99 3.00 -1.26 -0.72 118.16 119.65 2kw9 n LYS 49 Ca 0.06 1.34 -0.01 0.00 -0.00 0.00 0.00 58.31 59.69 2kw9 n LYS 49 Cb 0.56 -1.97 0.11 0.00 0.00 0.00 0.00 35.03 33.73 2kw9 n LYS 49 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2kw9 h THR 50 N 0.00 1.17 -0.68 3.15 2.02 -2.00 -2.47 112.91 114.10 2kw9 h THR 50 Ca 0.14 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 2kw9 h THR 50 Cb 0.35 -0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 2kw9 h THR 50 CO -0.81 0.21 0.32 -0.33 0.37 0.00 0.00 175.52 175.28 2kw9 h GLU 51 N 1.17 0.99 -0.39 6.66 5.08 -1.29 -1.70 114.58 125.10 2kw9 h GLU 51 Ca 0.36 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.60 2kw9 h GLU 51 Cb -0.03 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 2kw9 h GLU 51 CO -0.11 0.79 0.18 -0.07 -1.00 0.00 0.00 179.01 178.80 2kw9 h LEU 52 N 0.95 0.25 0.62 1.33 3.38 -0.71 -0.25 115.31 120.87 2kw9 h LEU 52 Ca 0.23 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 2kw9 h LEU 52 Cb 0.13 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.87 2kw9 h LEU 52 CO -0.03 0.18 -0.30 0.40 0.09 0.00 0.00 178.44 178.79 2kw9 h ILE 53 N 0.37 0.29 -0.32 1.22 2.04 -1.28 -2.27 117.51 117.56 2kw9 h ILE 53 Ca 0.17 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2kw9 h ILE 53 Cb 0.10 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 2kw9 h ILE 53 CO -0.13 0.03 0.21 -0.33 0.00 0.00 0.00 178.15 177.92 2kw9 h GLU 54 N -1.02 0.42 -0.38 2.37 4.39 -1.28 -1.22 114.58 117.86 2kw9 h GLU 54 Ca -0.08 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 2kw9 h GLU 54 Cb 0.69 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 2kw9 h GLU 54 CO 0.14 0.28 0.11 -0.09 -1.16 0.00 0.00 179.01 178.29 2kw9 h ARG 55 N 0.43 0.59 -0.48 2.33 2.43 -1.02 0.47 114.38 119.13 2kw9 h ARG 55 Ca 0.12 -0.13 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2kw9 h ARG 55 Cb -0.05 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 2kw9 h ARG 55 CO -0.02 0.61 0.25 -0.07 -1.51 0.00 0.00 179.97 179.23 2kw9 h LEU 56 N 0.46 0.38 -0.47 3.80 3.38 -0.69 -1.78 115.31 120.39 2kw9 h LEU 56 Ca 0.12 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2kw9 h LEU 56 Cb 0.27 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2kw9 h LEU 56 CO -0.00 0.27 0.07 0.03 0.09 0.00 0.00 178.44 178.89 2kw9 h ARG 57 N 0.50 0.77 -0.91 1.13 3.08 -1.09 -2.28 114.38 115.59 2kw9 h ARG 57 Ca 0.21 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2kw9 h ARG 57 Cb 0.10 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 2kw9 h ARG 57 CO -0.13 0.79 0.55 0.00 -1.07 0.00 0.00 179.97 180.10 2kw9 h ALA 58 N 0.95 1.16 -0.03 0.04 0.00 -0.75 0.57 119.26 121.20 2kw9 h ALA 58 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kw9 h ALA 58 Cb 0.40 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kw9 h ALA 58 CO 0.01 0.62 -0.00 -0.92 0.00 0.00 0.00 179.25 178.96 2kw9 h TYR 59 N 1.26 -0.00 -0.01 0.00 3.20 -1.14 -2.37 116.97 117.90 2kw9 h TYR 59 Ca 0.33 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.13 2kw9 h TYR 59 Cb -0.05 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 2kw9 h TYR 59 CO 0.00 -0.00 -0.33 1.96 -1.64 0.00 0.00 178.16 178.15 2kw9 h GLN 60 N 0.01 0.02 -0.73 1.82 1.08 -1.08 -2.84 115.11 113.39 2kw9 h GLN 60 Ca 0.01 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2kw9 h GLN 60 Cb 0.02 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 2kw9 h GLN 60 CO -0.02 0.35 0.28 0.22 -0.95 0.00 0.00 178.83 178.71 2kw9 h ASP 61 N 0.02 1.01 -0.06 1.46 3.58 -0.60 0.51 116.42 122.34 2kw9 h ASP 61 Ca -0.00 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.27 2kw9 h ASP 61 Cb 0.60 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.38 2kw9 h ASP 61 CO 0.04 0.92 0.03 1.56 -2.88 0.00 0.00 179.24 178.91 2kw9 h GLN 62 N 1.05 0.09 0.00 0.28 4.20 -1.19 -2.94 115.11 116.60 2kw9 h GLN 62 Ca 0.24 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2kw9 h GLN 62 Cb 0.23 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2kw9 h GLN 62 CO -0.02 0.19 0.00 -0.84 -0.67 0.00 0.00 178.83 177.50 2kw9 h ILE 63 N -0.03 0.00 -2.39 2.54 3.07 -1.49 -3.50 117.51 115.71 2kw9 h ILE 63 Ca 0.02 -0.95 0.00 0.00 1.55 0.00 0.00 64.86 65.48 2kw9 h ILE 63 Cb 0.13 1.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 2kw9 h ILE 63 CO -0.00 0.00 -0.61 -0.24 -1.05 0.00 0.00 178.15 176.25 2kw9 n SER 64 N -3.07 -5.55 -4.42 2.16 2.88 0.18 -4.71 113.62 101.10 2kw9 n SER 64 Ca 0.04 1.08 -0.51 0.00 -1.33 0.00 0.00 58.87 58.15 2kw9 n SER 64 Cb 0.51 -2.84 -0.08 0.00 -0.75 0.00 0.00 64.21 61.05 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 -1.84 0.80 -1.87 -1.46 -0.04 -1.26 -4.88 135.00 124.46 2kw9 n PRO 65 Ca 0.00 0.20 -0.42 0.00 -0.04 0.00 0.00 63.50 63.25 2kw9 n PRO 65 Cb 0.22 -2.27 -0.02 0.00 -0.04 0.00 0.00 33.50 31.38 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 7.45 2.35 -0.69 0.52 -7.23 -1.26 -4.88 120.40 116.66 2kw9 s VAL 66 Ca 1.13 0.28 -0.06 0.00 -1.81 0.00 0.00 61.98 61.51 2kw9 s VAL 66 Cb -0.97 -3.18 -0.13 0.00 0.56 0.00 0.00 36.38 32.66 2kw9 s VAL 66 CO 0.51 0.04 2.72 -0.81 -0.31 0.00 0.00 175.10 177.24 2kw9 n PRO 67 N 2.73 2.28 -1.67 4.82 -0.04 -1.26 -4.48 135.00 137.39 2kw9 n PRO 67 Ca 0.10 -1.35 -0.00 0.00 -0.04 0.00 0.00 63.50 62.20 2kw9 n PRO 67 Cb 0.38 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 2kw9 n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kw9 n GLY 68 N 3.19 -0.57 3.63 0.55 0.00 -1.26 -5.00 105.19 105.73 2kw9 n GLY 68 Ca 0.49 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.18 -2.12 0.37 4.61 0.00 -1.09 -3.83 121.76 117.51 2kw9 s ALA 69 Ca 0.01 2.30 -0.25 0.00 0.00 0.00 0.00 51.96 54.02 2kw9 s ALA 69 Cb -0.00 -1.62 -0.09 0.00 0.00 0.00 0.00 23.12 21.40 2kw9 s ALA 69 CO 0.09 -0.45 1.02 -1.25 0.00 0.00 0.00 175.76 175.17 2kw9 s PRO 70 N 1.67 4.33 0.08 0.00 0.04 -1.25 -4.19 135.00 135.67 2kw9 s PRO 70 Ca -0.09 1.48 -0.14 0.00 0.04 0.00 0.00 61.00 62.29 2kw9 s PRO 70 Cb -0.05 -2.66 -0.18 0.00 0.04 0.00 0.00 34.50 31.65 2kw9 s PRO 70 CO -0.18 0.01 1.26 0.87 0.04 0.00 0.00 177.00 179.00 2kw9 h LYS 71 N 2.79 0.72 -6.28 4.56 1.57 -1.92 -3.45 116.57 114.57 2kw9 h LYS 71 Ca -0.48 -0.64 -0.58 0.00 -1.87 0.00 0.00 60.65 57.08 2kw9 h LYS 71 Cb 1.21 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 33.57 2kw9 h LYS 71 CO 0.63 1.24 -0.62 0.00 -0.57 0.00 0.00 179.45 180.13 2kw9 s ALA 72 N -3.62 3.33 0.00 3.86 0.00 -1.26 -5.02 121.76 119.06 2kw9 s ALA 72 Ca -0.11 -1.35 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 2kw9 s ALA 72 Cb 0.07 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 2kw9 s ALA 72 CO 0.89 0.46 1.73 -0.35 0.00 0.00 0.00 175.76 178.49 2kw9 n PRO 73 N -0.32 0.88 -3.97 0.00 -0.04 -1.26 -4.78 135.00 125.50 2kw9 n PRO 73 Ca -0.09 -0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.14 2kw9 n PRO 73 Cb 0.55 -1.22 -0.01 0.00 -0.04 0.00 0.00 33.50 32.79 2kw9 n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kw9 s ALA 74 N 0.59 0.21 -2.62 0.55 0.00 -1.26 -5.22 121.76 114.00 2kw9 s ALA 74 Ca 0.07 -1.25 0.27 0.00 0.00 0.00 0.00 51.96 51.05 2kw9 s ALA 74 Cb 0.03 0.95 0.84 0.00 0.00 0.00 0.00 23.12 24.94 2kw9 s ALA 74 CO 0.00 -0.87 1.63 0.00 0.00 0.00 0.00 175.76 176.51