#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p98 s ALA 2 N 0.00 2.11 0.69 3.04 0.00 -1.26 -5.02 121.76 121.32 1p98 s ALA 2 Ca 0.00 -1.85 -0.04 0.00 0.00 0.00 0.00 51.96 50.08 1p98 s ALA 2 Cb 0.00 0.90 0.09 0.00 0.00 0.00 0.00 23.12 24.10 1p98 s ALA 2 CO 0.00 -0.40 0.98 0.14 0.00 0.00 0.00 175.76 176.48 1p98 s VAL 3 N -3.52 2.31 -0.70 0.00 -7.23 -0.79 -4.96 120.40 105.51 1p98 s VAL 3 Ca 0.35 -0.44 -0.06 0.00 -1.81 0.00 0.00 61.98 60.03 1p98 s VAL 3 Cb 0.07 -2.87 0.18 0.00 0.56 0.00 0.00 36.38 34.32 1p98 s VAL 3 CO 0.15 0.00 0.55 -0.89 -0.31 0.00 0.00 175.10 174.60 1p98 s THR 4 N -3.15 4.26 0.96 5.32 2.01 -1.26 -3.05 115.64 120.73 1p98 s THR 4 Ca 0.62 -2.90 -0.13 0.00 0.31 0.00 0.00 61.69 59.59 1p98 s THR 4 Cb -0.08 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 68.73 1p98 s THR 4 CO 0.44 -0.93 0.27 -0.38 -0.69 0.00 0.00 174.62 173.33 1p98 n ILE 5 N 3.52 0.00 -3.74 1.82 5.41 0.13 -3.93 119.36 122.57 1p98 n ILE 5 Ca 0.10 -0.22 -0.19 0.00 1.00 0.00 0.00 62.75 63.44 1p98 n ILE 5 Cb 0.40 -0.56 -0.17 0.00 -0.71 0.00 0.00 39.64 38.59 1p98 n ILE 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1p98 s THR 6 N -2.35 0.03 0.45 1.39 2.01 -1.26 -1.65 115.64 114.27 1p98 s THR 6 Ca 0.55 0.29 0.05 0.00 0.31 0.00 0.00 61.69 62.89 1p98 s THR 6 Cb -0.20 -0.23 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 1p98 s THR 6 CO 0.69 0.18 0.04 -0.76 -0.69 0.00 0.00 174.62 174.07 1p98 s LEU 7 N 1.80 2.67 -0.26 4.42 2.01 0.42 -1.39 118.68 128.34 1p98 s LEU 7 Ca 0.01 -1.45 -0.16 0.00 0.01 0.00 0.00 54.13 52.54 1p98 s LEU 7 Cb -0.12 -0.89 0.08 0.00 0.01 0.00 0.00 46.19 45.26 1p98 s LEU 7 CO -0.03 -0.64 0.66 -0.75 1.01 0.00 0.00 176.35 176.60 1p98 s LYS 8 N -3.81 0.68 -1.31 1.70 2.20 -0.03 -1.86 119.74 117.31 1p98 s LYS 8 Ca 0.24 1.15 -0.10 0.00 -0.36 0.00 0.00 55.97 56.90 1p98 s LYS 8 Cb 0.06 0.15 0.15 0.00 -1.51 0.00 0.00 37.83 36.67 1p98 s LYS 8 CO 0.13 -0.14 1.93 0.25 -0.36 0.00 0.00 175.35 177.15 1p98 n THR 9 N 4.12 4.19 0.00 3.43 -2.24 -0.38 -0.52 114.28 122.89 1p98 n THR 9 Ca -0.20 -4.17 0.00 0.00 -2.27 0.00 0.00 64.05 57.41 1p98 n THR 9 Cb 0.58 -2.40 0.00 0.00 -2.10 0.00 0.00 70.33 66.41 1p98 n THR 9 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1p98 n LEU 10 N 4.31 0.00 0.00 3.22 7.99 -1.26 -3.06 117.00 128.20 1p98 n LEU 10 Ca 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.42 1p98 n LEU 10 Cb 0.37 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.68 1p98 n LEU 10 CO 0.83 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.71 1p98 n GLN 11 N 0.00 0.00 -0.14 3.23 10.64 -1.26 -5.05 117.38 124.80 1p98 n GLN 11 Ca 0.00 0.00 -0.04 0.00 -1.83 0.00 0.00 57.00 55.13 1p98 n GLN 11 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 1p98 n GLN 11 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 1p98 h GLN 12 N 0.00 -0.01 -6.48 2.61 5.75 -1.94 -3.41 115.11 111.64 1p98 h GLN 12 Ca 0.00 0.00 -0.64 0.00 -0.15 0.00 0.00 58.65 57.86 1p98 h GLN 12 Cb 0.00 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 28.41 1p98 h GLN 12 CO 0.00 -0.00 -0.72 -0.65 -2.65 0.00 0.00 178.83 174.81 1p98 s GLN 13 N -3.86 2.17 -0.08 1.69 -0.21 -1.26 -5.01 119.66 113.10 1p98 s GLN 13 Ca -0.04 -1.09 -0.03 0.00 0.02 0.00 0.00 55.36 54.21 1p98 s GLN 13 Cb 0.04 -2.29 0.05 0.00 1.00 0.00 0.00 33.01 31.81 1p98 s GLN 13 CO 0.21 0.48 0.17 0.99 -2.12 0.00 0.00 175.29 175.02 1p98 s THR 14 N -1.43 -0.24 0.00 -0.19 2.01 -1.26 -1.25 115.64 113.28 1p98 s THR 14 Ca 0.23 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.56 1p98 s THR 14 Cb -0.10 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.11 1p98 s THR 14 CO 0.15 0.14 0.00 2.22 -0.69 0.00 0.00 174.62 176.44 1p98 n PHE 15 N 5.18 0.00 -3.62 4.92 1.16 -0.78 -5.02 117.46 119.31 1p98 n PHE 15 Ca -0.07 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.37 1p98 n PHE 15 Cb 0.50 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.31 1p98 n PHE 15 CO 0.00 0.00 0.00 -1.59 -1.87 0.00 0.00 176.76 173.30 1p98 s LYS 16 N -1.04 0.96 0.17 3.97 -2.85 -1.26 -0.44 119.74 119.25 1p98 s LYS 16 Ca 0.00 -0.26 0.06 0.00 -1.00 0.00 0.00 55.97 54.77 1p98 s LYS 16 Cb 0.00 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 1p98 s LYS 16 CO 0.00 -0.33 -0.13 0.42 0.10 0.00 0.00 175.35 175.40 1p98 s ILE 17 N -2.33 1.50 -1.02 3.79 -1.09 -0.66 -4.94 121.20 116.46 1p98 s ILE 17 Ca -0.06 -2.08 -0.02 0.00 -2.23 0.00 0.00 60.65 56.26 1p98 s ILE 17 Cb -0.01 -1.90 0.31 0.00 -1.58 0.00 0.00 42.46 39.28 1p98 s ILE 17 CO -0.01 -0.61 1.47 -1.14 -1.23 0.00 0.00 174.94 173.42 1p98 n ARG 18 N -0.16 4.45 -1.87 2.79 0.63 -1.26 0.21 116.66 121.44 1p98 n ARG 18 Ca -0.10 -4.60 -0.06 0.00 -0.92 0.00 0.00 57.85 52.17 1p98 n ARG 18 Cb 0.60 -2.47 0.00 0.00 0.45 0.00 0.00 32.46 31.04 1p98 n ARG 18 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1p98 n MET 19 N 0.97 1.19 -5.22 -0.14 0.00 -1.17 -4.91 117.12 107.85 1p98 n MET 19 Ca 0.30 -0.78 -0.30 0.00 0.00 0.00 0.00 57.70 56.93 1p98 n MET 19 Cb 0.33 0.05 -0.16 0.00 0.00 0.00 0.00 33.22 33.43 1p98 n MET 19 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1p98 s GLU 20 N -2.55 2.00 0.08 3.17 2.12 -1.26 -1.89 118.70 120.38 1p98 s GLU 20 Ca 0.09 -0.87 0.06 0.00 0.36 0.00 0.00 54.97 54.61 1p98 s GLU 20 Cb -0.01 -1.92 0.30 0.00 0.26 0.00 0.00 34.13 32.76 1p98 s GLU 20 CO 0.06 0.51 1.17 -2.30 -0.54 0.00 0.00 175.26 174.16 1p98 n PRO 21 N 2.51 0.04 0.00 4.30 -0.02 -1.26 -1.80 135.00 138.77 1p98 n PRO 21 Ca -0.16 0.53 -0.07 0.00 -2.02 0.00 0.00 63.50 61.78 1p98 n PRO 21 Cb 0.52 -1.62 -0.13 0.00 -0.02 0.00 0.00 33.50 32.25 1p98 n PRO 21 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1p98 h ASP 22 N 0.00 0.00 -3.92 2.55 5.19 -1.95 0.24 116.42 118.54 1p98 h ASP 22 Ca 0.00 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.90 1p98 h ASP 22 Cb 0.00 0.00 0.21 0.00 0.18 0.00 0.00 39.33 39.72 1p98 h ASP 22 CO 0.00 0.95 0.00 -0.62 -3.12 0.00 0.00 179.24 176.45 1p98 n GLU 23 N -3.09 -0.73 -0.48 3.56 -0.58 -0.75 -4.68 120.64 113.89 1p98 n GLU 23 Ca -0.12 -0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.46 1p98 n GLU 23 Cb 1.00 -2.23 0.18 0.00 -0.57 0.00 0.00 31.44 29.82 1p98 n GLU 23 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1p98 n THR 24 N -4.24 1.53 0.00 2.62 -2.24 -1.26 -1.62 114.28 109.06 1p98 n THR 24 Ca 0.10 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1p98 n THR 24 Cb 0.53 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1p98 n THR 24 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1p98 n VAL 25 N 0.17 0.00 -0.28 2.28 0.31 -1.20 -3.07 118.33 116.54 1p98 n VAL 25 Ca 0.17 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.51 1p98 n VAL 25 Cb 0.80 0.00 0.14 0.00 -0.91 0.00 0.00 33.84 33.86 1p98 n VAL 25 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1p98 h LYS 26 N 0.14 0.83 -0.95 5.55 3.64 -1.63 -0.45 116.57 123.71 1p98 h LYS 26 Ca 0.00 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1p98 h LYS 26 Cb 0.00 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 31.57 1p98 h LYS 26 CO 0.00 0.55 0.61 -0.24 -2.27 0.00 0.00 179.45 178.10 1p98 h VAL 27 N 0.85 1.03 -0.74 2.00 3.04 -1.86 -1.04 116.25 119.54 1p98 h VAL 27 Ca 0.36 -0.36 -0.05 0.00 -1.01 0.00 0.00 66.70 65.64 1p98 h VAL 27 Cb 0.22 -0.10 -0.03 0.00 -2.01 0.00 0.00 31.29 29.37 1p98 h VAL 27 CO -0.19 0.19 0.25 0.25 -1.01 0.00 0.00 177.57 177.06 1p98 h LEU 28 N 1.04 1.06 -0.77 3.16 5.85 -1.51 -1.40 115.31 122.74 1p98 h LEU 28 Ca 0.42 -0.19 0.11 0.00 0.84 0.00 0.00 57.88 59.07 1p98 h LEU 28 Cb 0.27 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 40.94 1p98 h LEU 28 CO -0.18 0.97 0.40 0.11 -0.34 0.00 0.00 178.44 179.40 1p98 h LYS 29 N 1.09 0.62 -0.90 1.25 1.79 -0.13 0.21 116.57 120.49 1p98 h LYS 29 Ca 0.24 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.66 1p98 h LYS 29 Cb 0.27 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.74 1p98 h LYS 29 CO -0.01 0.41 0.52 0.93 -1.08 0.00 0.00 179.45 180.21 1p98 h GLU 30 N 0.64 1.24 0.38 3.15 5.08 -0.79 -0.12 114.58 124.15 1p98 h GLU 30 Ca 0.39 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 1p98 h GLU 30 Cb 0.45 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1p98 h GLU 30 CO -0.30 0.88 -0.18 0.87 -1.00 0.00 0.00 179.01 179.28 1p98 h LYS 31 N 1.25 -0.49 -0.99 2.33 6.56 -0.77 -0.29 116.57 124.16 1p98 h LYS 31 Ca 0.32 0.03 0.11 0.00 -1.06 0.00 0.00 60.65 60.05 1p98 h LYS 31 Cb -0.01 0.11 -0.08 0.00 -0.57 0.00 0.00 32.23 31.68 1p98 h LYS 31 CO -0.06 -0.19 0.63 0.82 -2.06 0.00 0.00 179.45 178.60 1p98 h ILE 32 N -0.98 0.96 -0.01 1.86 2.04 -1.01 0.12 117.51 120.50 1p98 h ILE 32 Ca -0.05 -0.35 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 1p98 h ILE 32 Cb 0.53 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1p98 h ILE 32 CO 0.09 0.19 -0.50 -0.08 0.00 0.00 0.00 178.15 177.85 1p98 h GLU 33 N 1.02 0.02 0.00 2.37 4.22 -1.04 -1.28 114.58 119.88 1p98 h GLU 33 Ca 0.48 -0.01 -0.11 0.00 0.08 0.00 0.00 59.36 59.80 1p98 h GLU 33 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1p98 h GLU 33 CO -0.24 0.51 -0.51 0.00 -2.18 0.00 0.00 179.01 176.59 1p98 h ALA 34 N 1.49 0.92 -0.04 2.92 0.00 0.99 0.54 119.26 126.08 1p98 h ALA 34 Ca -0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1p98 h ALA 34 Cb 0.88 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1p98 h ALA 34 CO 0.07 0.64 -0.16 1.49 0.00 0.00 0.00 179.25 181.28 1p98 h GLU 35 N 0.00 0.18 0.00 0.00 4.81 -0.47 -3.42 114.58 115.68 1p98 h GLU 35 Ca -0.01 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1p98 h GLU 35 Cb 1.07 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1p98 h GLU 35 CO 0.07 0.78 -0.37 1.17 -0.73 0.00 0.00 179.01 179.93 1p98 n LYS 36 N -4.59 0.22 0.00 1.92 0.00 -0.52 -5.11 118.16 110.07 1p98 n LYS 36 Ca -0.08 0.17 0.00 0.00 0.00 0.00 0.00 58.31 58.39 1p98 n LYS 36 Cb 0.41 -0.97 0.00 0.00 0.00 0.00 0.00 35.03 34.48 1p98 n LYS 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1p98 n GLY 37 N 1.54 1.97 0.00 3.14 0.00 0.19 -4.76 105.19 107.27 1p98 n GLY 37 Ca -0.05 -1.73 0.09 0.00 0.00 0.00 0.00 46.02 44.33 1p98 n GLY 37 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1p98 n ARG 38 N -1.84 0.18 -0.05 1.61 1.85 -1.26 -1.31 116.66 115.85 1p98 n ARG 38 Ca 0.00 0.14 -0.15 0.00 -1.00 0.00 0.00 57.85 56.83 1p98 n ARG 38 Cb 0.00 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 29.77 1p98 n ARG 38 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1p98 n ASP 39 N -1.35 1.39 -0.05 2.89 8.00 -1.26 -3.69 116.55 122.47 1p98 n ASP 39 Ca 0.07 0.15 -0.00 0.00 0.71 0.00 0.00 54.79 55.72 1p98 n ASP 39 Cb 0.17 -0.22 -0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1p98 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p98 h ALA 40 N 0.46 0.00 -2.58 2.24 0.00 -1.81 -3.44 119.26 114.14 1p98 h ALA 40 Ca -0.45 -0.05 -0.60 0.00 0.00 0.00 0.00 54.91 53.82 1p98 h ALA 40 Cb 2.04 0.04 -0.39 0.00 0.00 0.00 0.00 17.79 19.48 1p98 h ALA 40 CO 0.04 0.04 -0.86 -0.06 0.00 0.00 0.00 179.25 178.40 1p98 s PHE 41 N -1.56 1.55 -0.02 0.00 0.08 -0.42 -4.97 117.98 112.64 1p98 s PHE 41 Ca -0.01 -2.41 -0.30 0.00 0.12 0.00 0.00 56.93 54.32 1p98 s PHE 41 Cb 0.00 -1.32 -0.05 0.00 -0.57 0.00 0.00 43.02 41.08 1p98 s PHE 41 CO 0.02 -0.78 1.32 -1.25 -0.10 0.00 0.00 175.22 174.44 1p98 s PRO 42 N -0.03 4.31 0.54 0.24 0.04 -1.24 -4.03 135.00 134.84 1p98 s PRO 42 Ca 0.28 1.85 0.48 0.00 0.04 0.00 0.00 61.00 63.64 1p98 s PRO 42 Cb -0.04 -3.57 1.70 0.00 0.04 0.00 0.00 34.50 32.63 1p98 s PRO 42 CO -0.14 -0.53 1.59 -0.39 0.04 0.00 0.00 177.00 177.57 1p98 h VAL 43 N 4.96 0.03 0.21 -0.36 -1.51 -1.90 0.58 116.25 118.25 1p98 h VAL 43 Ca -0.36 -0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1p98 h VAL 43 Cb 1.17 0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.34 1p98 h VAL 43 CO 0.89 0.00 -0.26 0.00 -1.23 0.00 0.00 177.57 176.98 1p98 h ALA 44 N 1.11 -0.91 -0.59 5.19 0.00 -1.96 -3.16 119.26 118.93 1p98 h ALA 44 Ca 0.92 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.66 1p98 h ALA 44 Cb 3.59 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 21.87 1p98 h ALA 44 CO -0.07 -0.94 0.11 0.41 0.00 0.00 0.00 179.25 178.76 1p98 n GLY 45 N -1.27 3.11 2.70 0.00 0.00 0.01 -4.74 105.19 105.00 1p98 n GLY 45 Ca -0.06 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1p98 n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p98 n GLN 46 N 0.29 3.21 -1.94 1.61 6.02 -0.16 -3.95 117.38 122.47 1p98 n GLN 46 Ca 0.31 -2.82 -0.32 0.00 -0.01 0.00 0.00 57.00 54.16 1p98 n GLN 46 Cb 1.20 -3.12 0.02 0.00 1.02 0.00 0.00 30.24 29.36 1p98 n GLN 46 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1p98 s LYS 47 N 2.20 3.31 0.05 -1.09 -0.14 0.00 -4.82 119.74 119.25 1p98 s LYS 47 Ca 0.48 1.06 0.03 0.00 -1.36 0.00 0.00 55.97 56.19 1p98 s LYS 47 Cb 0.14 -2.04 -0.02 0.00 -1.68 0.00 0.00 37.83 34.22 1p98 s LYS 47 CO -0.06 -0.80 -0.11 -0.51 -0.76 0.00 0.00 175.35 173.11 1p98 s LEU 48 N -4.80 2.24 -0.20 3.17 1.02 -0.96 -0.04 118.68 119.11 1p98 s LEU 48 Ca 0.61 -0.54 0.00 0.00 0.02 0.00 0.00 54.13 54.22 1p98 s LEU 48 Cb -0.14 -0.34 0.05 0.00 0.02 0.00 0.00 46.19 45.78 1p98 s LEU 48 CO 0.43 -0.12 -0.05 -0.63 0.02 0.00 0.00 176.35 176.00 1p98 s ILE 49 N -1.21 1.32 -0.22 -0.59 -1.09 0.55 -0.93 121.20 119.03 1p98 s ILE 49 Ca -0.05 -0.93 0.01 0.00 -2.23 0.00 0.00 60.65 57.45 1p98 s ILE 49 Cb -0.09 -1.55 0.03 0.00 -1.58 0.00 0.00 42.46 39.28 1p98 s ILE 49 CO 0.01 0.01 -0.15 -0.47 -1.23 0.00 0.00 174.94 173.11 1p98 s TYR 50 N 1.52 3.00 -1.01 3.97 5.04 -0.05 -1.75 117.35 128.06 1p98 s TYR 50 Ca -0.02 -1.87 -0.01 0.00 -2.44 0.00 0.00 57.07 52.73 1p98 s TYR 50 Cb -0.17 -1.95 0.00 0.00 0.35 0.00 0.00 41.96 40.19 1p98 s TYR 50 CO -0.07 -0.82 0.08 0.00 -1.34 0.00 0.00 175.55 173.40 1p98 n ALA 51 N 4.56 -0.40 -0.05 3.97 0.00 -1.26 -2.04 120.51 125.29 1p98 n ALA 51 Ca -0.18 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1p98 n ALA 51 Cb 0.47 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1p98 n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p98 n GLY 52 N -1.05 2.49 3.95 0.00 0.00 -1.26 -5.02 105.19 104.29 1p98 n GLY 52 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 1p98 n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p98 s LYS 53 N -0.14 2.81 0.18 1.61 1.02 -0.86 -5.07 119.74 119.30 1p98 s LYS 53 Ca 0.00 -0.42 0.07 0.00 0.02 0.00 0.00 55.97 55.64 1p98 s LYS 53 Cb 0.00 -2.43 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 1p98 s LYS 53 CO 0.00 -0.58 0.01 0.42 -0.92 0.00 0.00 175.35 174.28 1p98 s ILE 54 N -2.78 3.77 -0.09 2.17 -1.09 -1.26 -0.87 121.20 121.05 1p98 s ILE 54 Ca 0.53 -1.43 -0.06 0.00 -2.23 0.00 0.00 60.65 57.46 1p98 s ILE 54 Cb -0.10 -2.91 0.03 0.00 -1.58 0.00 0.00 42.46 37.90 1p98 s ILE 54 CO 0.40 -0.13 0.22 -1.48 -1.23 0.00 0.00 174.94 172.72 1p98 s LEU 55 N -3.02 0.88 0.47 2.97 2.34 -0.11 -4.90 118.68 117.31 1p98 s LEU 55 Ca 0.28 0.45 0.07 0.00 0.06 0.00 0.00 54.13 54.99 1p98 s LEU 55 Cb -0.09 0.70 -0.00 0.00 -0.56 0.00 0.00 46.19 46.24 1p98 s LEU 55 CO 0.19 -0.11 0.36 -0.55 -1.06 0.00 0.00 176.35 175.18 1p98 s SER 56 N 0.60 4.77 0.30 1.48 0.15 -1.26 -2.27 113.70 117.47 1p98 s SER 56 Ca -0.04 -0.99 0.21 0.00 0.70 0.00 0.00 55.95 55.83 1p98 s SER 56 Cb -0.05 -0.18 1.10 0.00 -1.71 0.00 0.00 66.02 65.18 1p98 s SER 56 CO -0.03 -0.81 1.65 -0.90 1.20 0.00 0.00 173.24 174.35 1p98 n ASP 57 N -1.58 0.57 0.00 5.45 5.68 -1.26 -1.89 116.55 123.51 1p98 n ASP 57 Ca 0.01 0.74 0.11 0.00 -0.50 0.00 0.00 54.79 55.14 1p98 n ASP 57 Cb 0.63 -0.82 -0.05 0.00 -1.14 0.00 0.00 41.12 39.75 1p98 n ASP 57 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1p98 n ASP 58 N -2.23 0.75 -4.89 -1.12 2.03 -1.21 -1.86 116.55 108.03 1p98 n ASP 58 Ca -0.01 -0.65 -0.30 0.00 0.52 0.00 0.00 54.79 54.36 1p98 n ASP 58 Cb 0.07 0.96 -0.04 0.00 -0.72 0.00 0.00 41.12 41.39 1p98 n ASP 58 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1p98 s VAL 59 N -3.09 4.93 0.22 5.18 -7.23 -0.79 -4.89 120.40 114.72 1p98 s VAL 59 Ca 0.06 0.35 -0.30 0.00 -1.81 0.00 0.00 61.98 60.28 1p98 s VAL 59 Cb 0.16 -3.69 -0.08 0.00 0.56 0.00 0.00 36.38 33.33 1p98 s VAL 59 CO 0.84 -0.27 0.96 -2.16 -0.31 0.00 0.00 175.10 174.16 1p98 s PRO 60 N -3.34 4.80 0.39 4.82 0.05 -1.26 -3.24 135.00 137.21 1p98 s PRO 60 Ca 0.47 1.51 0.05 0.00 0.05 0.00 0.00 61.00 63.09 1p98 s PRO 60 Cb -0.11 -3.29 0.78 0.00 0.05 0.00 0.00 34.50 31.93 1p98 s PRO 60 CO 0.27 0.42 2.03 0.82 0.05 0.00 0.00 177.00 180.59 1p98 h ILE 61 N 3.34 1.12 -0.06 0.56 1.08 -1.38 -1.25 117.51 120.91 1p98 h ILE 61 Ca -0.45 -0.23 -0.05 0.00 -0.39 0.00 0.00 64.86 63.74 1p98 h ILE 61 Cb 1.20 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 35.32 1p98 h ILE 61 CO 0.69 0.12 -0.20 -0.09 -0.69 0.00 0.00 178.15 177.98 1p98 h ARG 62 N 0.68 0.09 -0.04 2.37 2.43 -0.75 -1.39 114.38 117.77 1p98 h ARG 62 Ca 0.19 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1p98 h ARG 62 Cb -0.04 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1p98 h ARG 62 CO -0.04 0.30 0.03 0.22 -1.51 0.00 0.00 179.97 178.96 1p98 h ASP 63 N 0.09 0.01 -0.25 -3.80 1.82 -1.50 -1.31 116.42 111.48 1p98 h ASP 63 Ca 0.02 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1p98 h ASP 63 Cb 0.41 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.42 1p98 h ASP 63 CO 0.03 0.01 0.00 -1.22 -1.61 0.00 0.00 179.24 176.45 1p98 n TYR 64 N -4.53 0.86 -4.34 0.28 4.02 -0.67 -5.00 117.16 107.79 1p98 n TYR 64 Ca -0.02 -0.86 -0.32 0.00 -0.01 0.00 0.00 57.90 56.69 1p98 n TYR 64 Cb 0.12 -0.29 -0.10 0.00 -0.02 0.00 0.00 39.34 39.05 1p98 n TYR 64 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1p98 n ARG 65 N -0.50 -0.92 -2.91 -0.72 0.00 -0.49 -4.82 116.66 106.29 1p98 n ARG 65 Ca 0.20 0.09 -0.44 0.00 -0.00 0.00 0.00 57.85 57.71 1p98 n ARG 65 Cb 0.85 -3.67 -0.02 0.00 0.00 0.00 0.00 32.46 29.62 1p98 n ARG 65 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1p98 s ILE 66 N -4.29 4.76 0.45 5.15 1.01 -0.98 -4.97 121.20 122.34 1p98 s ILE 66 Ca 0.07 -1.82 0.02 0.00 0.00 0.00 0.00 60.65 58.92 1p98 s ILE 66 Cb -0.04 -4.83 0.00 0.00 0.01 0.00 0.00 42.46 37.60 1p98 s ILE 66 CO 1.00 -1.57 0.66 -0.62 0.00 0.00 0.00 174.94 174.42 1p98 s ASP 67 N 3.50 5.74 0.14 3.58 2.15 -1.26 -4.83 116.67 125.68 1p98 s ASP 67 Ca 0.36 0.15 -0.22 0.00 0.43 0.00 0.00 52.55 53.27 1p98 s ASP 67 Cb -0.04 -1.34 0.02 0.00 -0.30 0.00 0.00 42.92 41.26 1p98 s ASP 67 CO -0.07 -0.76 1.64 -0.08 -0.17 0.00 0.00 175.17 175.74 1p98 h GLU 68 N 0.40 -0.23 -0.73 4.34 4.81 -1.92 -1.94 114.58 119.33 1p98 h GLU 68 Ca -0.45 0.02 0.21 0.00 -0.13 0.00 0.00 59.36 59.01 1p98 h GLU 68 Cb 1.26 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 1p98 h GLU 68 CO 0.55 -0.15 0.60 -0.22 -0.73 0.00 0.00 179.01 179.06 1p98 h LYS 69 N -0.24 0.00 -6.24 1.92 3.11 -1.96 -3.40 116.57 109.76 1p98 h LYS 69 Ca 0.12 0.00 -0.48 0.00 -2.81 0.00 0.00 60.65 57.49 1p98 h LYS 69 Cb 0.43 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.64 1p98 h LYS 69 CO -0.34 0.00 -0.42 1.21 -2.81 0.00 0.00 179.45 177.08 1p98 s ASN 70 N -5.39 5.63 0.01 4.20 2.47 -0.73 -5.12 114.94 116.02 1p98 s ASN 70 Ca -0.05 -0.31 0.01 0.00 0.42 0.00 0.00 52.86 52.93 1p98 s ASN 70 Cb 0.19 -1.19 -0.01 0.00 -1.45 0.00 0.00 41.25 38.78 1p98 s ASN 70 CO 0.67 -0.31 -0.03 0.72 -3.72 0.00 0.00 177.10 174.43 1p98 s PHE 71 N -2.21 0.27 0.26 0.43 -0.12 -1.26 -4.09 117.98 111.27 1p98 s PHE 71 Ca 0.40 -0.28 0.06 0.00 -0.05 0.00 0.00 56.93 57.07 1p98 s PHE 71 Cb -0.08 -0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.11 1p98 s PHE 71 CO 0.28 -0.08 0.28 0.54 -0.05 0.00 0.00 175.22 176.19 1p98 s VAL 72 N -0.74 4.57 -0.39 -2.49 0.11 -0.49 -4.91 120.40 116.06 1p98 s VAL 72 Ca -0.07 -1.23 -0.13 0.00 -2.93 0.00 0.00 61.98 57.62 1p98 s VAL 72 Cb -0.05 -3.52 0.02 0.00 -1.53 0.00 0.00 36.38 31.29 1p98 s VAL 72 CO -0.00 -0.31 0.26 -0.69 -3.33 0.00 0.00 175.10 171.03 1p98 s VAL 73 N -2.11 5.02 -0.77 2.04 1.01 -0.72 -0.85 120.40 124.01 1p98 s VAL 73 Ca 0.35 -0.66 -0.26 0.00 0.00 0.00 0.00 61.98 61.42 1p98 s VAL 73 Cb -0.08 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1p98 s VAL 73 CO 0.27 -0.23 1.58 0.54 0.00 0.00 0.00 175.10 177.26 1p98 s VAL 74 N 1.64 3.61 -0.04 2.92 0.11 0.33 -0.33 120.40 128.64 1p98 s VAL 74 Ca 0.04 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 59.01 1p98 s VAL 74 Cb -0.19 -4.52 -0.05 0.00 -1.53 0.00 0.00 36.38 30.09 1p98 s VAL 74 CO 0.09 -1.46 0.32 0.00 -3.33 0.00 0.00 175.10 170.72 1p98 s MET 75 N 6.18 3.75 0.01 1.54 0.23 0.95 -4.42 119.30 127.53 1p98 s MET 75 Ca 0.52 0.22 0.00 0.00 -1.03 0.00 0.00 55.69 55.40 1p98 s MET 75 Cb -0.08 -3.20 -0.01 0.00 -1.53 0.00 0.00 34.83 30.02 1p98 s MET 75 CO 0.10 0.72 -0.02 0.08 -2.03 0.00 0.00 175.02 173.87 1p98 s VAL 76 N -1.08 0.13 0.13 5.16 1.01 -1.25 -0.82 120.40 123.68 1p98 s VAL 76 Ca 0.21 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 1p98 s VAL 76 Cb -0.15 -0.17 -0.07 0.00 0.00 0.00 0.00 36.38 36.00 1p98 s VAL 76 CO 0.11 -0.12 0.52 0.28 0.00 0.00 0.00 175.10 175.89 1p98 s THR 77 N -0.45 4.90 0.00 3.92 -1.32 -1.26 -5.06 115.64 116.37 1p98 s THR 77 Ca -0.04 0.77 0.00 0.00 -1.21 0.00 0.00 61.69 61.21 1p98 s THR 77 Cb -0.03 -3.72 0.00 0.00 -1.51 0.00 0.00 72.50 67.23 1p98 s THR 77 CO -0.00 0.26 0.00 1.17 -2.21 0.00 0.00 174.62 173.84