#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 -0.81 -0.26 3.03 0.00 -1.26 -5.10 107.32 102.92 2kw9 s GLY 2 Ca 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 44.72 45.07 2kw9 s GLY 2 CO 0.00 3.28 0.29 -1.58 0.00 0.00 0.00 173.10 175.09 2kw9 s HIS 3 N 2.46 -0.47 0.39 1.90 2.46 -1.26 -5.16 115.29 115.62 2kw9 s HIS 3 Ca 0.11 0.03 0.05 0.00 0.47 0.00 0.00 55.06 55.72 2kw9 s HIS 3 Cb -0.11 -0.38 -0.02 0.00 -0.13 0.00 0.00 32.58 31.93 2kw9 s HIS 3 CO -0.24 -0.83 0.18 -1.01 -2.47 0.00 0.00 174.74 170.37 2kw9 s HIS 4 N 2.38 1.77 -0.03 3.88 4.02 -1.26 -5.17 115.29 120.87 2kw9 s HIS 4 Ca 0.09 -1.43 0.06 0.00 1.02 0.00 0.00 55.06 54.81 2kw9 s HIS 4 Cb -0.14 -1.00 -0.01 0.00 -1.02 0.00 0.00 32.58 30.40 2kw9 s HIS 4 CO -0.26 -0.51 -0.23 -1.01 1.02 0.00 0.00 174.74 173.75 2kw9 s HIS 5 N -3.29 2.11 -0.29 1.40 0.09 -1.26 -5.13 115.29 108.93 2kw9 s HIS 5 Ca 0.29 -0.50 -0.22 0.00 -0.00 0.00 0.00 55.06 54.63 2kw9 s HIS 5 Cb 0.02 -1.38 0.15 0.00 -0.00 0.00 0.00 32.58 31.38 2kw9 s HIS 5 CO 0.19 -0.11 1.14 -1.58 -0.00 0.00 0.00 174.74 174.38 2kw9 s HIS 6 N -0.33 -0.35 -0.25 1.40 5.65 -1.26 -5.18 115.29 114.97 2kw9 s HIS 6 Ca 0.03 0.80 -0.20 0.00 0.25 0.00 0.00 55.06 55.94 2kw9 s HIS 6 Cb -0.11 0.35 0.07 0.00 -1.18 0.00 0.00 32.58 31.71 2kw9 s HIS 6 CO 0.01 -0.17 0.64 -3.38 -0.65 0.00 0.00 174.74 171.19 2kw9 s HIS 7 N 0.57 -0.80 -0.30 3.88 0.00 -1.26 -5.15 115.29 112.22 2kw9 s HIS 7 Ca -0.00 1.81 -0.15 0.00 -3.00 0.00 0.00 55.06 53.72 2kw9 s HIS 7 Cb -0.04 0.36 0.18 0.00 -4.00 0.00 0.00 32.58 29.07 2kw9 s HIS 7 CO -0.11 -0.40 1.07 -1.58 -1.00 0.00 0.00 174.74 172.73 2kw9 s HIS 8 N 0.80 -0.49 -0.25 0.38 5.65 -1.26 -5.18 115.29 114.94 2kw9 s HIS 8 Ca -0.04 0.69 -0.26 0.00 0.25 0.00 0.00 55.06 55.71 2kw9 s HIS 8 Cb -0.05 0.24 0.08 0.00 -1.18 0.00 0.00 32.58 31.66 2kw9 s HIS 8 CO -0.06 -0.26 0.77 0.45 -0.65 0.00 0.00 174.74 174.99 2kw9 s SER 9 N 2.60 -0.69 -0.37 9.88 0.15 -1.26 -5.11 113.70 118.90 2kw9 s SER 9 Ca -0.01 1.28 0.01 0.00 0.70 0.00 0.00 55.95 57.93 2kw9 s SER 9 Cb -0.07 1.27 0.15 0.00 -1.71 0.00 0.00 66.02 65.66 2kw9 s SER 9 CO -0.14 -0.27 0.25 -1.00 1.20 0.00 0.00 173.24 173.28 2kw9 s HIS 10 N 0.19 0.87 0.08 3.44 4.02 -1.26 -5.13 115.29 117.50 2kw9 s HIS 10 Ca -0.01 -1.84 -0.29 0.00 1.02 0.00 0.00 55.06 53.94 2kw9 s HIS 10 Cb -0.04 -0.96 -0.05 0.00 -1.02 0.00 0.00 32.58 30.50 2kw9 s HIS 10 CO 0.01 -0.83 0.91 -1.64 1.02 0.00 0.00 174.74 174.21 2kw9 s MET 11 N 0.77 4.64 0.32 1.40 1.00 -1.26 -5.05 119.30 121.10 2kw9 s MET 11 Ca 0.22 1.35 0.03 0.00 0.00 0.00 0.00 55.69 57.28 2kw9 s MET 11 Cb -0.16 -3.38 -0.03 0.00 0.00 0.00 0.00 34.83 31.26 2kw9 s MET 11 CO -0.05 0.21 0.48 0.45 0.00 0.00 0.00 175.02 176.11 2kw9 s SER 12 N 0.08 6.23 -0.13 3.03 0.15 -1.26 -5.11 113.70 116.69 2kw9 s SER 12 Ca 0.45 0.24 0.03 0.00 0.70 0.00 0.00 55.95 57.37 2kw9 s SER 12 Cb -0.22 -1.85 0.01 0.00 -1.71 0.00 0.00 66.02 62.24 2kw9 s SER 12 CO 0.28 -0.26 -0.22 0.42 1.20 0.00 0.00 173.24 174.65 2kw9 s THR 13 N -2.20 2.08 -1.04 6.45 -4.23 -1.26 -5.06 115.64 110.38 2kw9 s THR 13 Ca 0.39 -0.98 -0.24 0.00 -1.18 0.00 0.00 61.69 59.68 2kw9 s THR 13 Cb -0.09 -1.82 -0.14 0.00 1.34 0.00 0.00 72.50 71.79 2kw9 s THR 13 CO 0.33 0.55 1.94 -2.65 -0.54 0.00 0.00 174.62 174.26 2kw9 n PRO 14 N 3.91 1.26 -1.87 3.99 -0.02 -1.26 -4.94 135.00 136.08 2kw9 n PRO 14 Ca -0.20 -2.17 -0.42 0.00 -2.02 0.00 0.00 63.50 58.69 2kw9 n PRO 14 Cb 0.52 -3.57 -0.03 0.00 -0.02 0.00 0.00 33.50 30.41 2kw9 n PRO 14 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2kw9 s LEU 15 N 9.84 4.37 -0.00 2.45 2.34 -1.26 -4.97 118.68 131.44 2kw9 s LEU 15 Ca 0.69 2.74 -0.02 0.00 0.06 0.00 0.00 54.13 57.60 2kw9 s LEU 15 Cb 0.02 -3.61 -0.01 0.00 -0.56 0.00 0.00 46.19 42.03 2kw9 s LEU 15 CO 0.15 -0.86 0.56 0.71 -1.06 0.00 0.00 176.35 175.86 2kw9 h THR 16 N 3.80 0.00 -6.87 5.48 1.35 -2.08 -3.47 112.91 111.12 2kw9 h THR 16 Ca -0.44 -0.05 -0.58 0.00 -0.55 0.00 0.00 66.41 64.80 2kw9 h THR 16 Cb 1.21 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 67.49 2kw9 h THR 16 CO 0.89 0.00 -0.95 0.61 -0.25 0.00 0.00 175.52 175.82 2kw9 n GLY 17 N 0.35 -0.26 3.88 5.82 0.00 -1.26 -4.94 105.19 108.78 2kw9 n GLY 17 Ca -0.01 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -7.11 3.73 -0.39 1.61 -2.85 -1.26 -5.00 119.74 108.47 2kw9 s LYS 18 Ca 0.07 0.12 -0.37 0.00 -1.00 0.00 0.00 55.97 54.79 2kw9 s LYS 18 Cb -0.04 -2.87 -0.13 0.00 -2.06 0.00 0.00 37.83 32.73 2kw9 s LYS 18 CO 0.96 0.47 2.18 -2.30 0.10 0.00 0.00 175.35 176.77 2kw9 n PRO 19 N 0.41 0.80 0.00 1.78 -0.02 -1.26 -4.84 135.00 131.87 2kw9 n PRO 19 Ca -0.04 0.21 0.12 0.00 -2.02 0.00 0.00 63.50 61.77 2kw9 n PRO 19 Cb 0.52 -2.22 0.24 0.00 -0.02 0.00 0.00 33.50 32.02 2kw9 n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kw9 n GLY 20 N 6.79 -0.45 3.82 -1.23 0.00 -1.26 -4.98 105.19 107.89 2kw9 n GLY 20 Ca 0.45 -0.48 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.53 -1.32 0.14 4.61 0.00 -1.26 -5.12 121.76 116.28 2kw9 s ALA 21 Ca 0.21 -0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.65 2kw9 s ALA 21 Cb 0.19 0.76 -0.07 0.00 0.00 0.00 0.00 23.12 24.00 2kw9 s ALA 21 CO 0.55 -1.04 0.99 -0.51 0.00 0.00 0.00 175.76 175.76 2kw9 s LEU 22 N -2.96 4.52 0.55 0.00 1.43 -1.26 -5.03 118.68 115.93 2kw9 s LEU 22 Ca 0.12 1.88 -0.21 0.00 -1.03 0.00 0.00 54.13 54.90 2kw9 s LEU 22 Cb -0.04 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 2kw9 s LEU 22 CO 0.06 -0.07 1.31 -2.84 0.23 0.00 0.00 176.35 175.04 2kw9 s PRO 23 N -0.25 3.11 0.58 1.29 0.02 -1.26 -4.91 135.00 133.59 2kw9 s PRO 23 Ca 0.47 2.12 0.37 0.00 0.02 0.00 0.00 61.00 63.98 2kw9 s PRO 23 Cb -0.25 -2.19 1.68 0.00 0.02 0.00 0.00 34.50 33.76 2kw9 s PRO 23 CO 0.31 -1.17 2.10 0.00 -0.33 0.00 0.00 177.00 177.91 2kw9 h ALA 24 N 1.35 1.01 -0.34 -1.55 0.00 -2.08 -3.11 119.26 114.54 2kw9 h ALA 24 Ca -0.51 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 2kw9 h ALA 24 Cb 1.30 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 2kw9 h ALA 24 CO 0.57 0.01 0.10 0.09 0.00 0.00 0.00 179.25 180.02 2kw9 n ASN 25 N -3.10 3.27 -0.09 0.00 4.13 -1.26 -4.62 115.26 113.59 2kw9 n ASN 25 Ca -0.01 -2.54 -0.10 0.00 1.68 0.00 0.00 54.58 53.61 2kw9 n ASN 25 Cb 0.24 -0.61 -0.05 0.00 -1.54 0.00 0.00 39.78 37.82 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 1.59 -1.35 0.00 3.41 3.38 -1.94 -0.17 115.31 120.22 2kw9 h LEU 26 Ca 0.10 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2kw9 h LEU 26 Cb 1.42 0.58 0.00 0.00 0.09 0.00 0.00 40.66 42.76 2kw9 h LEU 26 CO 0.33 -0.38 0.00 -0.90 0.09 0.00 0.00 178.44 177.58 2kw9 n ASP 27 N -5.42 0.00 0.01 -0.43 5.75 -1.26 -2.88 116.55 112.32 2kw9 n ASP 27 Ca -0.01 0.21 -0.02 0.00 -0.01 0.00 0.00 54.79 54.95 2kw9 n ASP 27 Cb 0.35 -0.40 -0.10 0.00 -1.03 0.00 0.00 41.12 39.94 2kw9 n ASP 27 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2kw9 n ASP 28 N -1.40 0.80 -4.70 -1.12 8.00 -0.24 -4.97 116.55 112.94 2kw9 n ASP 28 Ca 0.09 0.36 -0.29 0.00 0.71 0.00 0.00 54.79 55.67 2kw9 n ASP 28 Cb 0.26 0.18 0.17 0.00 -0.02 0.00 0.00 41.12 41.71 2kw9 n ASP 28 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2kw9 s MET 29 N -2.84 0.58 0.62 -1.24 -1.94 -0.27 -5.04 119.30 109.18 2kw9 s MET 29 Ca -0.04 0.50 -0.13 0.00 -1.71 0.00 0.00 55.69 54.31 2kw9 s MET 29 Cb 0.08 -1.76 -0.03 0.00 2.01 0.00 0.00 34.83 35.14 2kw9 s MET 29 CO 0.82 -2.62 1.04 0.15 -0.01 0.00 0.00 175.02 174.39 2kw9 s LYS 30 N -5.01 3.38 0.26 2.03 1.02 -1.26 -4.92 119.74 115.24 2kw9 s LYS 30 Ca 0.65 0.97 -0.03 0.00 0.02 0.00 0.00 55.97 57.57 2kw9 s LYS 30 Cb -0.18 -2.05 0.38 0.00 -0.52 0.00 0.00 37.83 35.46 2kw9 s LYS 30 CO 0.57 -0.74 1.88 0.28 -0.92 0.00 0.00 175.35 176.42 2kw9 h VAL 31 N -0.03 1.10 -0.64 3.17 2.07 -1.96 -1.13 116.25 118.83 2kw9 h VAL 31 Ca -0.45 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 66.68 2kw9 h VAL 31 Cb 1.20 -0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2kw9 h VAL 31 CO 0.59 0.22 0.43 0.00 0.02 0.00 0.00 177.57 178.82 2kw9 h ALA 32 N 1.44 1.59 -0.30 1.67 0.00 -1.99 -0.20 119.26 121.47 2kw9 h ALA 32 Ca 0.42 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.13 2kw9 h ALA 32 Cb 0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2kw9 h ALA 32 CO -0.16 0.37 -0.44 0.93 0.00 0.00 0.00 179.25 179.94 2kw9 h GLU 33 N 0.83 0.82 -0.32 0.00 4.39 -1.62 -1.18 114.58 117.50 2kw9 h GLU 33 Ca 0.25 -0.49 0.01 0.00 0.34 0.00 0.00 59.36 59.47 2kw9 h GLU 33 Cb -0.03 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2kw9 h GLU 33 CO -0.06 1.12 0.18 -0.07 -1.16 0.00 0.00 179.01 179.02 2kw9 h LEU 34 N 0.59 0.28 -1.63 1.33 3.38 -0.82 -2.00 115.31 116.45 2kw9 h LEU 34 Ca 0.03 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2kw9 h LEU 34 Cb 1.04 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2kw9 h LEU 34 CO 0.10 0.21 0.26 0.11 0.09 0.00 0.00 178.44 179.21 2kw9 h LYS 35 N 0.37 0.49 -0.19 1.13 1.57 -0.98 -0.83 116.57 118.14 2kw9 h LYS 35 Ca 0.13 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2kw9 h LYS 35 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2kw9 h LYS 35 CO -0.07 0.33 0.11 0.37 -0.57 0.00 0.00 179.45 179.62 2kw9 h GLN 36 N 0.51 0.26 -0.48 3.15 -0.00 -0.50 -0.93 115.11 117.12 2kw9 h GLN 36 Ca 0.15 -0.02 -0.12 0.00 -0.00 0.00 0.00 58.65 58.65 2kw9 h GLN 36 Cb -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.40 2kw9 h GLN 36 CO -0.03 0.22 -0.19 0.93 0.00 0.00 0.00 178.83 179.75 2kw9 h GLU 37 N 0.23 0.96 0.35 1.69 5.08 -1.05 -3.18 114.58 118.66 2kw9 h GLU 37 Ca 0.07 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2kw9 h GLU 37 Cb 0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2kw9 h GLU 37 CO -0.01 1.06 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.70 2kw9 h LEU 38 N 0.84 -0.75 -1.94 1.33 3.38 -0.93 -2.80 115.31 114.43 2kw9 h LEU 38 Ca 0.11 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.22 2kw9 h LEU 38 Cb 0.76 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2kw9 h LEU 38 CO 0.06 -0.43 0.22 0.07 0.09 0.00 0.00 178.44 178.45 2kw9 h LYS 39 N -0.65 0.07 -0.44 1.13 2.10 -1.24 0.63 116.57 118.17 2kw9 h LYS 39 Ca -0.03 -0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.49 2kw9 h LYS 39 Cb 0.57 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.87 2kw9 h LYS 39 CO -0.02 0.05 -0.24 -0.07 -2.00 0.00 0.00 179.45 177.17 2kw9 h LEU 40 N 0.07 0.93 -3.66 7.07 3.38 -1.48 -3.12 115.31 118.49 2kw9 h LEU 40 Ca 0.14 -0.35 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 2kw9 h LEU 40 Cb 0.48 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 2kw9 h LEU 40 CO -0.01 1.12 0.14 0.54 0.09 0.00 0.00 178.44 180.32 2kw9 n ARG 41 N -4.10 4.31 -2.19 1.13 3.00 -0.27 -4.93 116.66 113.61 2kw9 n ARG 41 Ca -0.00 -3.14 -0.19 0.00 -0.01 0.00 0.00 57.85 54.52 2kw9 n ARG 41 Cb 0.46 -2.25 -0.02 0.00 0.00 0.00 0.00 32.46 30.65 2kw9 n ARG 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2kw9 n SER 42 N 0.21 -5.35 -4.85 0.55 2.88 -0.57 -4.99 113.62 101.49 2kw9 n SER 42 Ca 0.35 0.08 -0.36 0.00 -1.33 0.00 0.00 58.87 57.61 2kw9 n SER 42 Cb 1.30 -4.43 -0.06 0.00 -0.75 0.00 0.00 64.21 60.28 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 -5.12 4.39 -0.05 2.46 1.43 0.05 -4.99 118.68 116.85 2kw9 s LEU 43 Ca 0.00 0.89 -0.32 0.00 -1.03 0.00 0.00 54.13 53.66 2kw9 s LEU 43 Cb 0.00 -2.89 -0.10 0.00 0.03 0.00 0.00 46.19 43.23 2kw9 s LEU 43 CO 0.00 0.21 1.94 -2.65 0.23 0.00 0.00 176.35 176.08 2kw9 n PRO 44 N 1.19 2.43 0.10 1.29 -0.02 -1.26 -4.08 135.00 134.65 2kw9 n PRO 44 Ca -0.10 0.88 0.12 0.00 -2.02 0.00 0.00 63.50 62.39 2kw9 n PRO 44 Cb 0.52 -2.81 0.17 0.00 -0.02 0.00 0.00 33.50 31.37 2kw9 n PRO 44 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2kw9 h VAL 45 N 5.62 0.00 0.00 -1.45 -1.51 -1.93 -3.39 116.25 113.59 2kw9 h VAL 45 Ca -0.49 -0.67 0.00 0.00 -1.23 0.00 0.00 66.70 64.31 2kw9 h VAL 45 Cb 1.26 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 2kw9 h VAL 45 CO 0.95 0.00 0.00 -1.20 -1.23 0.00 0.00 177.57 176.09 2kw9 n SER 46 N -2.40 3.80 -4.85 4.19 7.64 -1.26 -4.83 113.62 115.91 2kw9 n SER 46 Ca 0.03 -2.02 -0.27 0.00 1.01 0.00 0.00 58.87 57.62 2kw9 n SER 46 Cb 0.48 -0.76 -0.03 0.00 -1.01 0.00 0.00 64.21 62.89 2kw9 n SER 46 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2kw9 s GLY 47 N 1.60 2.46 0.75 0.23 0.00 -1.26 -5.13 107.32 105.98 2kw9 s GLY 47 Ca 0.00 -1.31 -0.09 0.00 0.00 0.00 0.00 44.72 43.32 2kw9 s GLY 47 CO 0.00 -1.96 1.10 -0.51 0.00 0.00 0.00 173.10 171.72 2kw9 s THR 48 N -2.74 2.20 0.14 0.90 -4.23 -1.26 -4.78 115.64 105.87 2kw9 s THR 48 Ca 0.31 -0.11 -0.32 0.00 -1.18 0.00 0.00 61.69 60.40 2kw9 s THR 48 Cb -0.00 -3.02 -0.08 0.00 1.34 0.00 0.00 72.50 70.73 2kw9 s THR 48 CO 0.19 -0.03 1.55 0.50 -0.54 0.00 0.00 174.62 176.29 2kw9 h LYS 49 N -0.82 -0.27 -0.53 3.99 1.63 -1.99 -0.52 116.57 118.07 2kw9 h LYS 49 Ca -0.45 0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.28 2kw9 h LYS 49 Cb 1.32 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.99 2kw9 h LYS 49 CO 0.63 -0.18 -0.01 1.15 -3.45 0.00 0.00 179.45 177.59 2kw9 h THR 50 N -0.28 1.25 -0.02 1.00 2.02 -1.99 -2.89 112.91 112.00 2kw9 h THR 50 Ca 0.11 -1.09 0.02 0.00 0.77 0.00 0.00 66.41 66.22 2kw9 h THR 50 Cb 0.55 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2kw9 h THR 50 CO -0.70 0.39 -0.06 -0.33 0.37 0.00 0.00 175.52 175.18 2kw9 h GLU 51 N 0.84 -0.10 -0.83 6.66 5.08 -1.72 -2.45 114.58 122.05 2kw9 h GLU 51 Ca 0.15 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2kw9 h GLU 51 Cb 0.51 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 2kw9 h GLU 51 CO 0.03 -0.07 0.55 -0.07 -1.00 0.00 0.00 179.01 178.45 2kw9 h LEU 52 N -0.10 0.91 0.61 1.33 3.38 -1.03 0.23 115.31 120.64 2kw9 h LEU 52 Ca 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2kw9 h LEU 52 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2kw9 h LEU 52 CO -0.09 0.63 -0.41 0.40 0.09 0.00 0.00 178.44 179.07 2kw9 h ILE 53 N 1.06 0.17 0.00 1.22 2.04 -1.30 0.31 117.51 121.01 2kw9 h ILE 53 Ca 0.32 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.16 2kw9 h ILE 53 Cb -0.01 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.24 2kw9 h ILE 53 CO -0.09 0.00 -0.13 -0.33 0.00 0.00 0.00 178.15 177.60 2kw9 h GLU 54 N -0.98 0.00 -0.15 2.37 5.08 -1.06 -1.25 114.58 118.59 2kw9 h GLU 54 Ca -0.07 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 2kw9 h GLU 54 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2kw9 h GLU 54 CO 0.05 0.13 -0.33 -0.09 -1.00 0.00 0.00 179.01 177.77 2kw9 h ARG 55 N 0.00 0.48 -0.40 2.33 2.43 -0.25 0.21 114.38 119.18 2kw9 h ARG 55 Ca -0.00 -0.32 0.02 0.00 -0.81 0.00 0.00 59.98 58.86 2kw9 h ARG 55 Cb 0.38 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 2kw9 h ARG 55 CO 0.02 0.94 0.24 -0.07 -1.51 0.00 0.00 179.97 179.58 2kw9 h LEU 56 N 0.10 0.38 -0.86 3.80 3.38 -0.59 -2.30 115.31 119.22 2kw9 h LEU 56 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2kw9 h LEU 56 Cb 0.94 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 2kw9 h LEU 56 CO 0.07 0.27 0.56 0.03 0.09 0.00 0.00 178.44 179.47 2kw9 h ARG 57 N 0.48 1.09 -0.63 1.13 3.08 -1.17 -1.68 114.38 116.68 2kw9 h ARG 57 Ca 0.16 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.16 2kw9 h ARG 57 Cb 0.01 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 2kw9 h ARG 57 CO -0.08 0.72 0.41 0.00 -1.07 0.00 0.00 179.97 179.96 2kw9 h ALA 58 N 1.33 0.81 -0.11 0.04 0.00 -0.28 0.23 119.26 121.27 2kw9 h ALA 58 Ca 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2kw9 h ALA 58 Cb -0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2kw9 h ALA 58 CO -0.09 0.20 0.01 -0.92 0.00 0.00 0.00 179.25 178.46 2kw9 h TYR 59 N 0.83 0.21 -0.95 0.00 3.20 -1.12 -2.98 116.97 116.15 2kw9 h TYR 59 Ca 0.24 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.09 2kw9 h TYR 59 Cb -0.06 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.11 2kw9 h TYR 59 CO -0.04 0.40 0.63 0.37 -1.64 0.00 0.00 178.16 177.88 2kw9 h GLN 60 N -0.05 1.25 -0.29 1.82 5.75 -1.09 -1.49 115.11 121.01 2kw9 h GLN 60 Ca 0.03 -0.08 0.08 0.00 -0.15 0.00 0.00 58.65 58.54 2kw9 h GLN 60 Cb 0.31 -0.28 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 2kw9 h GLN 60 CO 0.00 0.83 0.25 0.22 -2.65 0.00 0.00 178.83 177.48 2kw9 h ASP 61 N 1.29 0.00 0.25 -0.69 3.58 -0.42 0.19 116.42 120.62 2kw9 h ASP 61 Ca 0.35 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.46 2kw9 h ASP 61 Cb -0.14 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 2kw9 h ASP 61 CO -0.08 0.00 -1.90 0.00 -2.88 0.00 0.00 179.24 174.38 2kw9 n GLN 62 N -4.08 0.71 0.07 0.28 6.02 -0.61 -4.39 117.38 115.38 2kw9 n GLN 62 Ca 0.04 0.27 0.10 0.00 -0.01 0.00 0.00 57.00 57.40 2kw9 n GLN 62 Cb 0.41 -1.74 -0.05 0.00 1.02 0.00 0.00 30.24 29.88 2kw9 n GLN 62 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2kw9 n ILE 63 N -3.32 0.56 -2.22 5.09 -5.35 -0.93 -4.95 119.36 108.24 2kw9 n ILE 63 Ca -0.27 -0.56 -0.40 0.00 -0.27 0.00 0.00 62.75 61.26 2kw9 n ILE 63 Cb 1.05 -0.31 -0.02 0.00 -1.74 0.00 0.00 39.64 38.62 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 -5.22 6.71 0.94 7.28 0.15 0.63 -5.05 113.70 119.13 2kw9 s SER 64 Ca -0.03 2.51 0.00 0.00 0.70 0.00 0.00 55.95 59.13 2kw9 s SER 64 Cb 0.10 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2kw9 s SER 64 CO 0.82 -0.56 0.00 -2.65 1.20 0.00 0.00 173.24 172.05 2kw9 n PRO 65 N 0.54 -1.00 -2.08 5.44 -0.02 -1.26 -4.97 135.00 131.65 2kw9 n PRO 65 Ca 0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 2kw9 n PRO 65 Cb 0.44 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.89 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 -0.94 3.19 -0.02 -1.45 -7.23 -1.26 -4.95 120.40 107.73 2kw9 s VAL 66 Ca 0.00 0.78 -0.21 0.00 -1.81 0.00 0.00 61.98 60.73 2kw9 s VAL 66 Cb 0.00 -3.50 -0.27 0.00 0.56 0.00 0.00 36.38 33.18 2kw9 s VAL 66 CO 0.00 0.04 1.01 1.55 -0.31 0.00 0.00 175.10 177.38 2kw9 h PRO 67 N 7.30 0.34 0.21 4.82 0.13 -2.04 -3.37 132.00 139.40 2kw9 h PRO 67 Ca -0.41 -0.44 -0.28 0.00 -0.87 0.00 0.00 66.00 64.00 2kw9 h PRO 67 Cb 1.20 0.14 0.03 0.00 0.13 0.00 0.00 31.00 32.50 2kw9 h PRO 67 CO 0.89 1.14 -1.24 0.78 -0.23 0.00 0.00 178.00 179.35 2kw9 h GLY 68 N -0.26 0.52 -2.34 1.56 0.00 -2.05 -3.51 103.07 96.99 2kw9 h GLY 68 Ca -0.10 -1.33 0.00 0.00 0.00 0.00 0.00 47.33 45.91 2kw9 h GLY 68 CO 0.12 1.16 -0.55 0.00 0.00 0.00 0.00 176.54 177.28 2kw9 n ALA 69 N -2.70 -2.42 -1.54 3.60 0.00 -1.26 -4.76 120.51 111.42 2kw9 n ALA 69 Ca -0.16 0.27 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 2kw9 n ALA 69 Cb 1.00 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.36 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 0.03 1.29 -2.27 0.00 -0.02 -1.26 -4.89 135.00 127.88 2kw9 n PRO 70 Ca 0.00 0.24 -0.40 0.00 -2.02 0.00 0.00 63.50 61.32 2kw9 n PRO 70 Cb 0.00 -3.06 -0.03 0.00 -0.02 0.00 0.00 33.50 30.39 2kw9 n PRO 70 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2kw9 s LYS 71 N 7.29 2.96 0.23 -0.52 1.02 -1.26 -4.70 119.74 124.76 2kw9 s LYS 71 Ca 1.04 0.32 0.00 0.00 0.02 0.00 0.00 55.97 57.35 2kw9 s LYS 71 Cb -0.43 -4.27 0.00 0.00 -0.52 0.00 0.00 37.83 32.61 2kw9 s LYS 71 CO 0.35 -2.37 0.00 0.00 -0.92 0.00 0.00 175.35 172.41 2kw9 n ALA 72 N 10.98 -2.41 -1.62 5.17 0.00 -1.26 -4.81 120.51 126.56 2kw9 n ALA 72 Ca 0.13 0.29 -0.43 0.00 0.00 0.00 0.00 53.44 53.43 2kw9 n ALA 72 Cb 0.50 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 2kw9 n ALA 72 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kw9 n PRO 73 N 0.14 2.29 -1.91 0.00 -0.02 -1.26 -4.93 135.00 129.31 2kw9 n PRO 73 Ca 0.00 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 2kw9 n PRO 73 Cb 0.00 -3.12 -0.03 0.00 -0.02 0.00 0.00 33.50 30.33 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 6.75 3.75 0.00 3.55 0.00 -1.26 -5.29 121.76 129.26 2kw9 s ALA 74 Ca 0.96 1.42 0.00 0.00 0.00 0.00 0.00 51.96 54.34 2kw9 s ALA 74 Cb -0.40 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.11 2kw9 s ALA 74 CO 0.39 -0.82 0.00 0.00 0.00 0.00 0.00 175.76 175.33