#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxt s LYS 6 N 0.00 4.22 0.72 0.03 -0.14 -1.26 -4.88 119.74 118.42 3kxt s LYS 6 Ca 0.00 1.03 -0.15 0.00 -1.36 0.00 0.00 55.97 55.49 3kxt s LYS 6 Cb 0.00 -2.36 0.03 0.00 -1.68 0.00 0.00 37.83 33.82 3kxt s LYS 6 CO 0.00 0.08 1.17 -2.14 -0.76 0.00 0.00 175.35 173.70 3kxt s PRO 7 N -2.92 2.31 -0.05 -1.68 0.02 -1.26 -4.55 135.00 126.87 3kxt s PRO 7 Ca 0.57 1.60 0.04 0.00 0.02 0.00 0.00 61.00 63.24 3kxt s PRO 7 Cb -0.11 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.54 3kxt s PRO 7 CO 0.16 -1.67 -0.16 0.08 -0.33 0.00 0.00 177.00 175.08 3kxt s VAL 8 N -2.17 1.34 -0.32 3.83 1.01 0.59 -4.84 120.40 119.84 3kxt s VAL 8 Ca 0.71 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 3kxt s VAL 8 Cb -0.25 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 34.97 3kxt s VAL 8 CO 0.45 0.39 1.22 -0.75 0.00 0.00 0.00 175.10 176.40 3kxt s LYS 9 N 0.20 3.94 0.18 2.72 2.20 -1.26 -1.16 119.74 126.56 3kxt s LYS 9 Ca -0.07 1.12 0.05 0.00 -0.36 0.00 0.00 55.97 56.71 3kxt s LYS 9 Cb -0.12 -3.84 -0.05 0.00 -1.51 0.00 0.00 37.83 32.31 3kxt s LYS 9 CO 0.03 -1.08 -0.08 0.14 -0.36 0.00 0.00 175.35 174.00 3kxt s VAL 10 N 4.16 1.24 -0.19 4.02 -7.23 -0.29 -4.98 120.40 117.14 3kxt s VAL 10 Ca 0.52 -2.08 -0.08 0.00 -1.81 0.00 0.00 61.98 58.53 3kxt s VAL 10 Cb -0.14 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 3kxt s VAL 10 CO 0.22 -0.60 0.08 -0.75 -0.31 0.00 0.00 175.10 173.74 3kxt s LYS 11 N -3.76 4.03 0.62 4.82 2.20 -1.26 -1.31 119.74 125.07 3kxt s LYS 11 Ca 0.21 -0.31 -0.07 0.00 -0.36 0.00 0.00 55.97 55.44 3kxt s LYS 11 Cb 0.03 -3.27 0.01 0.00 -1.51 0.00 0.00 37.83 33.09 3kxt s LYS 11 CO 0.04 0.29 0.96 0.95 -0.36 0.00 0.00 175.35 177.23 3kxt s THR 12 N 0.34 3.61 0.51 3.43 -4.23 -0.25 -4.91 115.64 114.14 3kxt s THR 12 Ca 0.05 0.14 0.24 0.00 -1.18 0.00 0.00 61.69 60.94 3kxt s THR 12 Cb -0.12 -3.46 0.30 0.00 1.34 0.00 0.00 72.50 70.56 3kxt s THR 12 CO -0.00 -0.51 2.15 -0.65 -0.54 0.00 0.00 174.62 175.06 3kxt h PRO 13 N -0.31 0.00 0.00 3.99 0.11 -1.95 0.31 132.00 134.15 3kxt h PRO 13 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kxt h PRO 13 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kxt h PRO 13 CO 0.62 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.46 3kxt h ALA 14 N 1.94 1.00 0.00 -0.75 0.00 -2.00 -3.46 119.26 115.99 3kxt h ALA 14 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kxt h ALA 14 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kxt h ALA 14 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3kxt n GLY 15 N 0.06 1.33 3.51 0.00 0.00 0.10 -5.11 105.19 105.07 3kxt n GLY 15 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3kxt n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kxt s LYS 16 N -0.09 2.33 -0.07 1.61 1.02 -1.25 -4.84 119.74 118.46 3kxt s LYS 16 Ca 0.00 -0.83 -0.23 0.00 0.02 0.00 0.00 55.97 54.94 3kxt s LYS 16 Cb 0.00 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 3kxt s LYS 16 CO 0.00 0.58 0.67 -1.21 -0.92 0.00 0.00 175.35 174.47 3kxt s GLU 17 N -1.25 4.42 -0.03 1.68 8.01 -1.26 -1.09 118.70 129.17 3kxt s GLU 17 Ca 0.15 0.82 -0.05 0.00 0.01 0.00 0.00 54.97 55.90 3kxt s GLU 17 Cb -0.11 -3.44 0.01 0.00 -4.31 0.00 0.00 34.13 26.28 3kxt s GLU 17 CO 0.05 0.10 0.13 0.00 0.01 0.00 0.00 175.26 175.55 3kxt s ALA 18 N 0.71 -0.32 -0.41 5.21 0.00 -0.43 -4.99 121.76 121.53 3kxt s ALA 18 Ca 0.36 0.20 -0.23 0.00 0.00 0.00 0.00 51.96 52.29 3kxt s ALA 18 Cb -0.17 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.84 3kxt s ALA 18 CO 0.17 -0.11 0.75 -1.21 0.00 0.00 0.00 175.76 175.36 3kxt s GLU 19 N -0.40 3.53 0.01 0.00 2.02 -1.26 -1.14 118.70 121.46 3kxt s GLU 19 Ca -0.05 0.01 0.06 0.00 0.02 0.00 0.00 54.97 55.01 3kxt s GLU 19 Cb -0.03 -3.89 -0.02 0.00 0.10 0.00 0.00 34.13 30.29 3kxt s GLU 19 CO 0.01 -0.98 -0.19 -0.51 0.02 0.00 0.00 175.26 173.60 3kxt s LEU 20 N 3.12 2.10 -0.06 1.80 1.43 -0.31 -4.78 118.68 121.98 3kxt s LEU 20 Ca 0.29 -0.42 -0.25 0.00 -1.03 0.00 0.00 54.13 52.72 3kxt s LEU 20 Cb -0.13 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 3kxt s LEU 20 CO 0.20 0.18 0.78 -0.69 0.23 0.00 0.00 176.35 177.05 3kxt s VAL 21 N -0.62 4.98 0.54 -1.59 1.01 -1.26 -0.30 120.40 123.17 3kxt s VAL 21 Ca 0.07 1.62 -0.18 0.00 0.00 0.00 0.00 61.98 63.48 3kxt s VAL 21 Cb -0.08 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.12 3kxt s VAL 21 CO 0.00 0.20 1.06 -2.16 0.00 0.00 0.00 175.10 174.21 3kxt s PRO 22 N 1.00 3.51 0.17 2.72 0.04 -1.26 -4.82 135.00 136.37 3kxt s PRO 22 Ca 0.41 1.33 0.05 0.00 0.04 0.00 0.00 61.00 62.83 3kxt s PRO 22 Cb -0.18 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.32 3kxt s PRO 22 CO 0.20 -0.67 1.40 1.49 0.04 0.00 0.00 177.00 179.46 3kxt h GLU 23 N 1.00 0.12 -2.69 4.56 4.81 -1.11 -3.47 114.58 117.80 3kxt h GLU 23 Ca -0.48 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 58.50 3kxt h GLU 23 Cb 1.23 0.04 -0.23 0.00 0.63 0.00 0.00 28.75 30.42 3kxt h GLU 23 CO 0.58 0.90 -0.18 0.21 -0.73 0.00 0.00 179.01 179.79 3kxt s LYS 24 N -3.17 0.59 0.05 1.92 2.47 -1.23 -5.00 119.74 115.37 3kxt s LYS 24 Ca -0.02 0.41 0.03 0.00 -1.56 0.00 0.00 55.97 54.83 3kxt s LYS 24 Cb 0.11 0.28 -0.03 0.00 -1.46 0.00 0.00 37.83 36.73 3kxt s LYS 24 CO 0.81 -0.11 -0.09 0.14 0.16 0.00 0.00 175.35 176.27 3kxt s VAL 25 N -0.22 0.64 0.15 4.02 -7.23 -1.26 -0.70 120.40 115.79 3kxt s VAL 25 Ca -0.04 -1.14 -0.24 0.00 -1.81 0.00 0.00 61.98 58.75 3kxt s VAL 25 Cb -0.03 -0.71 0.07 0.00 0.56 0.00 0.00 36.38 36.26 3kxt s VAL 25 CO 0.02 -0.37 0.71 -1.66 -0.31 0.00 0.00 175.10 173.50 3kxt s TRP 26 N -1.43 -0.40 0.02 2.82 -2.14 -0.40 -5.01 118.94 112.41 3kxt s TRP 26 Ca -0.08 0.15 -0.20 0.00 2.66 0.00 0.00 56.10 58.63 3kxt s TRP 26 Cb -0.10 0.59 -0.06 0.00 -3.10 0.00 0.00 33.47 30.80 3kxt s TRP 26 CO 0.01 -0.85 0.57 0.00 -2.66 0.00 0.00 176.95 174.02 3kxt s ALA 27 N -3.61 3.54 -0.34 2.67 0.00 -1.26 -0.83 121.76 121.93 3kxt s ALA 27 Ca 0.05 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.05 3kxt s ALA 27 Cb -0.02 -2.68 0.10 0.00 0.00 0.00 0.00 23.12 20.52 3kxt s ALA 27 CO -0.07 0.27 0.07 -1.17 0.00 0.00 0.00 175.76 174.86 3kxt s LEU 28 N -0.58 4.05 -0.13 0.00 2.96 0.38 -4.94 118.68 120.41 3kxt s LEU 28 Ca 0.30 -2.05 -0.09 0.00 -0.22 0.00 0.00 54.13 52.07 3kxt s LEU 28 Cb -0.19 -1.42 0.04 0.00 0.50 0.00 0.00 46.19 45.13 3kxt s LEU 28 CO 0.18 -0.38 0.33 0.00 -1.32 0.00 0.00 176.35 175.15 3kxt s ALA 29 N 1.06 -0.81 0.79 5.97 0.00 -1.26 -1.19 121.76 126.32 3kxt s ALA 29 Ca 0.11 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 53.08 3kxt s ALA 29 Cb -0.19 -0.67 0.07 0.00 0.00 0.00 0.00 23.12 22.33 3kxt s ALA 29 CO -0.12 -0.20 1.11 -2.14 0.00 0.00 0.00 175.76 174.41 3kxt s PRO 30 N 0.80 2.02 0.26 0.00 0.02 -1.26 -4.93 135.00 131.93 3kxt s PRO 30 Ca -0.05 1.28 -0.31 0.00 0.02 0.00 0.00 61.00 61.94 3kxt s PRO 30 Cb -0.06 -1.86 -0.12 0.00 0.02 0.00 0.00 34.50 32.48 3kxt s PRO 30 CO -0.06 -1.83 1.62 1.63 -0.33 0.00 0.00 177.00 178.03 3kxt n LYS 31 N -3.57 2.68 -0.95 5.54 5.02 -1.26 -1.94 118.16 123.68 3kxt n LYS 31 Ca 0.10 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.35 3kxt n LYS 31 Cb 0.53 -2.75 0.00 0.00 -0.02 0.00 0.00 35.03 32.78 3kxt n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kxt n GLY 32 N 2.70 0.61 3.35 0.72 0.00 -1.26 -5.00 105.19 106.31 3kxt n GLY 32 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 3kxt n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kxt s ARG 33 N -0.30 1.31 0.30 1.61 0.52 -0.82 -5.10 118.95 116.48 3kxt s ARG 33 Ca 0.00 -1.43 -0.28 0.00 -0.52 0.00 0.00 55.73 53.50 3kxt s ARG 33 Cb 0.00 -1.39 -0.09 0.00 0.52 0.00 0.00 34.95 33.98 3kxt s ARG 33 CO 0.00 0.28 1.06 0.21 0.02 0.00 0.00 175.30 176.88 3kxt s LYS 34 N -2.82 4.56 0.00 3.54 2.20 -1.26 -4.54 119.74 121.42 3kxt s LYS 34 Ca 0.17 1.68 0.00 0.00 -0.36 0.00 0.00 55.97 57.46 3kxt s LYS 34 Cb -0.06 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 3kxt s LYS 34 CO 0.07 0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.65 3kxt n GLY 35 N 1.02 5.31 3.41 5.54 0.00 -1.26 -4.75 105.19 114.45 3kxt n GLY 35 Ca 0.00 -1.43 -0.21 0.00 0.00 0.00 0.00 46.02 44.38 3kxt n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kxt s VAL 36 N 2.41 0.59 -0.08 1.61 -7.23 -0.33 -4.98 120.40 112.40 3kxt s VAL 36 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 3kxt s VAL 36 Cb 0.00 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 3kxt s VAL 36 CO 0.00 0.00 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.12 3kxt s LYS 37 N -3.82 2.84 -0.01 4.82 1.02 -1.26 -0.47 119.74 122.85 3kxt s LYS 37 Ca 0.33 -0.67 0.08 0.00 0.02 0.00 0.00 55.97 55.72 3kxt s LYS 37 Cb 0.05 -2.49 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 3kxt s LYS 37 CO 0.16 0.49 -0.25 0.42 -0.92 0.00 0.00 175.35 175.25 3kxt s ILE 38 N -0.37 1.98 0.18 2.17 -1.09 -0.01 -0.78 121.20 123.28 3kxt s ILE 38 Ca 0.04 -1.11 0.11 0.00 -2.23 0.00 0.00 60.65 57.46 3kxt s ILE 38 Cb -0.12 -1.65 -0.04 0.00 -1.58 0.00 0.00 42.46 39.06 3kxt s ILE 38 CO 0.02 0.52 -0.23 -0.83 -1.23 0.00 0.00 174.94 173.19 3kxt s GLY 39 N -0.70 1.69 -0.24 6.18 0.00 -0.23 -1.28 107.32 112.74 3kxt s GLY 39 Ca 0.10 -1.59 -0.10 0.00 0.00 0.00 0.00 44.72 43.13 3kxt s GLY 39 CO -0.00 -1.61 0.14 -2.27 0.00 0.00 0.00 173.10 169.36 3kxt s LEU 40 N -2.58 4.00 0.23 0.66 2.96 0.12 -1.61 118.68 122.46 3kxt s LEU 40 Ca 0.20 0.05 0.10 0.00 -0.22 0.00 0.00 54.13 54.26 3kxt s LEU 40 Cb -0.08 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 3kxt s LEU 40 CO 0.10 0.05 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.63 3kxt s PHE 41 N 1.15 2.02 -0.11 5.38 0.40 0.62 -0.40 117.98 127.05 3kxt s PHE 41 Ca 0.07 -0.44 0.04 0.00 -0.60 0.00 0.00 56.93 56.00 3kxt s PHE 41 Cb -0.14 -0.92 0.00 0.00 0.51 0.00 0.00 43.02 42.47 3kxt s PHE 41 CO 0.05 0.53 -0.23 0.21 0.70 0.00 0.00 175.22 176.48 3kxt s LYS 42 N -3.42 3.01 -0.05 0.44 2.20 -1.26 -0.72 119.74 119.94 3kxt s LYS 42 Ca 0.25 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 54.70 3kxt s LYS 42 Cb -0.04 -2.32 -0.06 0.00 -1.51 0.00 0.00 37.83 33.91 3kxt s LYS 42 CO 0.11 0.12 1.64 0.34 -0.36 0.00 0.00 175.35 177.20 3kxt s ASP 43 N 0.48 6.68 0.59 1.43 -1.08 0.06 -4.85 116.67 119.98 3kxt s ASP 43 Ca -0.16 2.23 0.37 0.00 -0.52 0.00 0.00 52.55 54.48 3kxt s ASP 43 Cb -0.17 -2.54 1.78 0.00 -1.46 0.00 0.00 42.92 40.53 3kxt s ASP 43 CO 0.06 -0.92 2.14 1.55 0.52 0.00 0.00 175.17 178.52 3kxt h PRO 44 N 9.42 0.00 0.01 4.34 0.13 -1.96 -0.36 132.00 143.59 3kxt h PRO 44 Ca -0.39 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.37 3kxt h PRO 44 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 3kxt h PRO 44 CO 0.95 0.01 -2.34 0.39 -0.23 0.00 0.00 178.00 176.78 3kxt n GLU 45 N -3.13 0.67 -0.01 0.86 1.02 -1.26 -4.64 120.64 114.16 3kxt n GLU 45 Ca -0.01 0.12 0.08 0.00 -0.02 0.00 0.00 57.16 57.34 3kxt n GLU 45 Cb 0.21 -1.56 -0.14 0.00 -0.02 0.00 0.00 31.44 29.93 3kxt n GLU 45 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3kxt n THR 46 N -3.11 0.05 -0.68 2.62 -2.24 -1.19 -4.99 114.28 104.73 3kxt n THR 46 Ca -0.38 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 3kxt n THR 46 Cb 1.05 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 3kxt n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kxt n GLY 47 N 1.51 1.09 3.72 3.38 0.00 -0.15 -5.01 105.19 109.73 3kxt n GLY 47 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3kxt n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kxt s LYS 48 N -0.21 4.49 0.26 1.61 2.20 -1.26 -4.63 119.74 122.20 3kxt s LYS 48 Ca 0.00 1.76 -0.22 0.00 -0.36 0.00 0.00 55.97 57.15 3kxt s LYS 48 Cb 0.00 -3.31 -0.09 0.00 -1.51 0.00 0.00 37.83 32.92 3kxt s LYS 48 CO 0.00 -0.13 0.81 0.71 -0.36 0.00 0.00 175.35 176.39 3kxt s TYR 49 N 0.49 3.67 0.04 4.03 2.02 -1.26 -0.76 117.35 125.58 3kxt s TYR 49 Ca 0.55 1.55 -0.16 0.00 -0.37 0.00 0.00 57.07 58.64 3kxt s TYR 49 Cb -0.30 -2.74 0.03 0.00 -0.40 0.00 0.00 41.96 38.55 3kxt s TYR 49 CO 0.32 0.29 0.36 -0.59 -1.57 0.00 0.00 175.55 174.36 3kxt s PHE 50 N -1.55 -0.19 0.18 2.71 -0.71 0.10 -4.96 117.98 113.56 3kxt s PHE 50 Ca 0.46 0.13 0.03 0.00 -1.04 0.00 0.00 56.93 56.51 3kxt s PHE 50 Cb -0.18 0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.75 3kxt s PHE 50 CO 0.22 -0.52 0.32 1.03 -1.34 0.00 0.00 175.22 174.93 3kxt s ARG 51 N -2.36 3.45 -0.12 1.99 0.52 -1.26 -0.28 118.95 120.89 3kxt s ARG 51 Ca -0.06 -0.59 -0.24 0.00 -0.52 0.00 0.00 55.73 54.31 3kxt s ARG 51 Cb -0.01 -2.93 0.06 0.00 0.52 0.00 0.00 34.95 32.59 3kxt s ARG 51 CO -0.02 0.48 0.60 -1.58 0.02 0.00 0.00 175.30 174.80 3kxt s HIS 52 N -1.82 -0.59 0.55 -0.53 2.46 -0.64 -4.96 115.29 109.76 3kxt s HIS 52 Ca 0.35 1.22 -0.21 0.00 0.47 0.00 0.00 55.06 56.89 3kxt s HIS 52 Cb -0.11 0.29 -0.05 0.00 -0.13 0.00 0.00 32.58 32.58 3kxt s HIS 52 CO 0.29 -0.46 1.29 0.21 -2.47 0.00 0.00 174.74 173.61 3kxt s LYS 53 N -0.57 3.16 0.23 2.88 2.20 -1.26 -1.07 119.74 125.31 3kxt s LYS 53 Ca -0.07 2.07 0.08 0.00 -0.36 0.00 0.00 55.97 57.70 3kxt s LYS 53 Cb -0.03 -2.19 -0.04 0.00 -1.51 0.00 0.00 37.83 34.06 3kxt s LYS 53 CO 0.05 -1.12 0.06 -0.51 -0.36 0.00 0.00 175.35 173.47 3kxt s LEU 54 N -3.61 3.45 0.68 5.43 1.43 0.04 -4.80 118.68 121.29 3kxt s LEU 54 Ca 0.72 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 53.22 3kxt s LEU 54 Cb -0.36 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 3kxt s LEU 54 CO 0.42 0.02 1.02 -2.65 0.23 0.00 0.00 176.35 175.39 3kxt n PRO 55 N -0.75 0.71 0.24 1.29 -0.02 -1.26 -4.53 135.00 130.67 3kxt n PRO 55 Ca -0.08 0.29 0.09 0.00 -2.02 0.00 0.00 63.50 61.78 3kxt n PRO 55 Cb 0.57 -2.26 0.59 0.00 -0.02 0.00 0.00 33.50 32.38 3kxt n PRO 55 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kxt h ASP 56 N 0.07 0.00 -0.30 2.55 3.45 -1.99 -1.37 116.42 118.83 3kxt h ASP 56 Ca -0.48 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.98 3kxt h ASP 56 Cb 1.34 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.11 3kxt h ASP 56 CO 0.49 0.19 0.00 -0.90 -1.57 0.00 0.00 179.24 177.45 3kxt n ASP 57 N -3.88 2.21 -4.74 6.45 5.68 -1.26 -4.95 116.55 116.06 3kxt n ASP 57 Ca -0.02 -1.86 -0.42 0.00 -0.50 0.00 0.00 54.79 51.99 3kxt n ASP 57 Cb 0.28 -0.20 -0.02 0.00 -1.14 0.00 0.00 41.12 40.04 3kxt n ASP 57 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3kxt s TYR 58 N -1.61 3.04 0.03 2.11 5.04 -0.52 -4.91 117.35 120.54 3kxt s TYR 58 Ca 0.32 0.94 -0.30 0.00 -2.44 0.00 0.00 57.07 55.59 3kxt s TYR 58 Cb 0.17 -3.83 -0.07 0.00 0.35 0.00 0.00 41.96 38.58 3kxt s TYR 58 CO 0.25 -2.80 1.62 -2.14 -1.34 0.00 0.00 175.55 171.14 3kxt s PRO 59 N 0.01 4.21 0.00 4.97 0.02 -1.26 -5.02 135.00 137.92 3kxt s PRO 59 Ca 0.62 2.25 0.25 0.00 0.02 0.00 0.00 61.00 64.13 3kxt s PRO 59 Cb -0.42 -3.69 0.31 0.00 0.02 0.00 0.00 34.50 30.72 3kxt s PRO 59 CO 0.40 -0.74 1.33 -0.89 -0.33 0.00 0.00 177.00 176.77