#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 1.30 0.27 -5.12 0.00 -1.26 -5.08 121.76 111.87 1p98 s ALA 2 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1p98 s ALA 2 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1p98 s ALA 2 CO 0.00 -2.65 0.00 1.33 0.00 0.00 0.00 175.76 174.44 1p98 n VAL 3 N -4.03 0.00 -3.70 0.00 0.24 -1.09 -5.01 118.33 104.74 1p98 n VAL 3 Ca 0.06 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.07 1p98 n VAL 3 Cb 0.58 -1.27 -0.14 0.00 -1.47 0.00 0.00 33.84 31.54 1p98 n VAL 3 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1p98 s THR 4 N 1.23 0.98 1.11 3.34 2.01 -1.18 -4.12 115.64 119.01 1p98 s THR 4 Ca 0.00 -1.81 -0.12 0.00 0.31 0.00 0.00 61.69 60.07 1p98 s THR 4 Cb 0.00 -1.72 0.25 0.00 0.01 0.00 0.00 72.50 71.04 1p98 s THR 4 CO 0.00 -0.78 1.06 -0.63 -0.69 0.00 0.00 174.62 173.58 1p98 s ILE 5 N 1.15 2.03 -0.04 1.82 1.01 -0.63 -3.66 121.20 122.88 1p98 s ILE 5 Ca 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.77 1p98 s ILE 5 Cb -0.20 -2.04 0.03 0.00 0.01 0.00 0.00 42.46 40.26 1p98 s ILE 5 CO -0.14 -0.01 0.05 -0.89 0.00 0.00 0.00 174.94 173.95 1p98 s THR 6 N -2.49 -0.07 0.43 2.92 2.01 -1.26 -1.89 115.64 115.28 1p98 s THR 6 Ca 0.68 0.40 0.07 0.00 0.31 0.00 0.00 61.69 63.14 1p98 s THR 6 Cb -0.25 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 1p98 s THR 6 CO 0.63 0.18 0.20 -0.76 -0.69 0.00 0.00 174.62 174.18 1p98 s LEU 7 N 2.08 3.03 -0.30 4.42 2.01 0.77 -1.11 118.68 129.58 1p98 s LEU 7 Ca 0.04 -1.12 -0.12 0.00 0.01 0.00 0.00 54.13 52.93 1p98 s LEU 7 Cb -0.12 -1.39 0.14 0.00 0.01 0.00 0.00 46.19 44.84 1p98 s LEU 7 CO -0.03 -0.62 0.80 -0.75 1.01 0.00 0.00 176.35 176.75 1p98 s LYS 8 N -3.95 0.46 0.00 1.70 2.20 -0.19 -1.63 119.74 118.33 1p98 s LYS 8 Ca 0.38 1.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.14 1p98 s LYS 8 Cb 0.03 0.69 0.00 0.00 -1.51 0.00 0.00 37.83 37.04 1p98 s LYS 8 CO 0.21 -0.16 0.00 0.25 -0.36 0.00 0.00 175.35 175.30 1p98 n THR 9 N 5.24 0.00 -0.71 3.43 -2.24 -0.09 -1.18 114.28 118.73 1p98 n THR 9 Ca -0.11 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.50 1p98 n THR 9 Cb 0.51 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.80 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 0.00 6.11 0.00 3.22 4.32 -1.26 -4.44 117.00 124.95 1p98 n LEU 10 Ca 0.00 -3.19 0.00 0.00 -0.02 0.00 0.00 56.01 52.80 1p98 n LEU 10 Cb 0.00 -0.91 0.00 0.00 -1.62 0.00 0.00 43.42 40.89 1p98 n LEU 10 CO 0.00 1.10 0.00 1.67 -1.22 0.00 0.00 177.39 178.94 1p98 n GLN 11 N -0.08 0.00 0.05 3.23 -0.06 -1.26 -4.86 117.38 114.39 1p98 n GLN 11 Ca 0.35 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 55.30 1p98 n GLN 11 Cb 0.81 -0.35 0.13 0.00 -4.06 0.00 0.00 30.24 26.77 1p98 n GLN 11 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 1p98 h GLN 12 N 1.65 0.38 -5.37 3.69 1.08 -1.96 -3.43 115.11 111.15 1p98 h GLN 12 Ca 0.00 -0.21 -0.50 0.00 -1.45 0.00 0.00 58.65 56.49 1p98 h GLN 12 Cb 0.00 0.02 -0.29 0.00 -0.05 0.00 0.00 27.48 27.16 1p98 h GLN 12 CO 0.00 0.79 -0.82 -0.65 -0.95 0.00 0.00 178.83 177.20 1p98 s GLN 13 N -4.02 1.19 -0.08 1.46 -1.52 -1.26 -5.04 119.66 110.39 1p98 s GLN 13 Ca -0.06 -0.53 -0.03 0.00 -1.95 0.00 0.00 55.36 52.79 1p98 s GLN 13 Cb 0.12 -1.15 0.04 0.00 -0.22 0.00 0.00 33.01 31.80 1p98 s GLN 13 CO 0.80 0.32 0.15 0.99 -0.25 0.00 0.00 175.29 177.30 1p98 s THR 14 N -0.36 -0.23 0.00 -0.19 2.01 -1.26 -0.91 115.64 114.70 1p98 s THR 14 Ca 0.06 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.41 1p98 s THR 14 Cb -0.06 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.18 1p98 s THR 14 CO -0.01 0.15 0.00 2.22 -0.69 0.00 0.00 174.62 176.29 1p98 n PHE 15 N 5.24 -0.11 -3.68 4.92 1.16 -0.65 -5.01 117.46 119.34 1p98 n PHE 15 Ca -0.06 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.40 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 -0.93 0.92 -0.20 3.97 -2.85 -1.26 -0.16 119.74 119.23 1p98 s LYS 16 Ca 0.00 -0.47 -0.04 0.00 -1.00 0.00 0.00 55.97 54.46 1p98 s LYS 16 Cb 0.00 0.41 0.09 0.00 -2.06 0.00 0.00 37.83 36.26 1p98 s LYS 16 CO 0.00 -0.32 0.18 0.42 0.10 0.00 0.00 175.35 175.73 1p98 s ILE 17 N -2.77 -0.25 0.00 3.79 -1.09 -0.79 -4.92 121.20 115.17 1p98 s ILE 17 Ca -0.03 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 1p98 s ILE 17 Cb -0.00 -0.67 0.00 0.00 -1.58 0.00 0.00 42.46 40.21 1p98 s ILE 17 CO -0.05 -0.26 0.16 -1.14 -1.23 0.00 0.00 174.94 172.42 1p98 n ARG 18 N 5.30 0.00 0.00 2.79 0.63 -1.26 -1.60 116.66 122.52 1p98 n ARG 18 Ca -0.06 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1p98 n ARG 18 Cb 0.49 -0.27 0.00 0.00 0.45 0.00 0.00 32.46 33.13 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 -1.24 0.00 -3.57 -0.14 0.00 -1.26 -2.63 117.12 108.28 1p98 n MET 19 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.57 1p98 n MET 19 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.17 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 0.00 1.05 0.00 3.17 2.12 -1.26 -2.66 118.70 121.12 1p98 s GLU 20 Ca 0.00 -0.29 0.09 0.00 0.36 0.00 0.00 54.97 55.13 1p98 s GLU 20 Cb 0.00 0.48 0.50 0.00 0.26 0.00 0.00 34.13 35.37 1p98 s GLU 20 CO 0.00 -0.39 1.11 -2.30 -0.54 0.00 0.00 175.26 173.15 1p98 n PRO 21 N 0.30 0.19 -0.02 4.30 -0.02 -1.26 -3.10 135.00 135.40 1p98 n PRO 21 Ca -0.18 0.13 -0.22 0.00 -2.02 0.00 0.00 63.50 61.21 1p98 n PRO 21 Cb 0.61 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.46 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 0.31 -3.33 2.55 3.32 -1.95 0.73 116.42 118.05 1p98 h ASP 22 Ca 0.00 -0.81 -0.53 0.00 0.02 0.00 0.00 57.03 55.71 1p98 h ASP 22 Cb 0.06 -0.10 0.22 0.00 0.22 0.00 0.00 39.33 39.72 1p98 h ASP 22 CO 0.00 1.67 -0.63 -0.62 -1.72 0.00 0.00 179.24 177.93 1p98 n GLU 23 N -3.90 -0.32 -0.37 3.56 -0.58 -1.18 -4.56 120.64 113.29 1p98 n GLU 23 Ca -0.29 -0.05 -0.02 0.00 -0.42 0.00 0.00 57.16 56.38 1p98 n GLU 23 Cb 0.90 -1.82 0.11 0.00 -0.57 0.00 0.00 31.44 30.06 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 -3.58 1.34 0.00 2.62 -2.24 -1.26 -1.48 114.28 109.67 1p98 n THR 24 Ca 0.06 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1p98 n THR 24 Cb 0.54 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 0.09 0.00 -0.36 2.28 0.31 -1.19 -3.18 118.33 116.28 1p98 n VAL 25 Ca 0.15 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.51 1p98 n VAL 25 Cb 0.73 0.00 0.19 0.00 -0.91 0.00 0.00 33.84 33.85 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 0.00 1.08 -0.58 5.55 3.64 -1.71 -0.11 116.57 124.45 1p98 h LYS 26 Ca 0.00 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1p98 h LYS 26 Cb 0.00 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.55 1p98 h LYS 26 CO 0.00 0.72 0.38 -0.24 -2.27 0.00 0.00 179.45 178.04 1p98 h VAL 27 N 1.11 1.11 -0.58 2.00 3.04 -1.86 -0.99 116.25 120.08 1p98 h VAL 27 Ca 0.44 -0.25 -0.09 0.00 -1.01 0.00 0.00 66.70 65.80 1p98 h VAL 27 Cb 0.25 0.32 -0.02 0.00 -2.01 0.00 0.00 31.29 29.82 1p98 h VAL 27 CO -0.20 0.13 0.02 0.25 -1.01 0.00 0.00 177.57 176.77 1p98 h LEU 28 N 0.72 0.97 -1.03 3.16 5.85 -1.44 -1.93 115.31 121.61 1p98 h LEU 28 Ca 0.22 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1p98 h LEU 28 Cb 0.01 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 1p98 h LEU 28 CO -0.06 1.01 0.65 0.11 -0.34 0.00 0.00 178.44 179.81 1p98 h LYS 29 N 0.92 1.18 -0.76 1.25 1.57 -0.22 0.30 116.57 120.81 1p98 h LYS 29 Ca 0.17 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1p98 h LYS 29 Cb 0.50 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1p98 h LYS 29 CO 0.02 0.78 0.25 0.93 -0.57 0.00 0.00 179.45 180.87 1p98 h GLU 30 N 1.22 1.18 0.25 3.15 5.08 -0.75 0.11 114.58 124.81 1p98 h GLU 30 Ca 0.41 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1p98 h GLU 30 Cb 0.07 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1p98 h GLU 30 CO -0.14 0.99 -0.12 0.87 -1.00 0.00 0.00 179.01 179.61 1p98 h LYS 31 N 1.13 -0.33 -0.94 2.33 6.56 -0.88 -0.83 116.57 123.62 1p98 h LYS 31 Ca 0.25 0.02 0.07 0.00 -1.06 0.00 0.00 60.65 59.93 1p98 h LYS 31 Cb 0.29 0.07 -0.06 0.00 -0.57 0.00 0.00 32.23 31.96 1p98 h LYS 31 CO -0.01 0.04 0.61 0.82 -2.06 0.00 0.00 179.45 178.84 1p98 h ILE 32 N -0.83 1.06 -0.06 1.86 2.04 -0.98 0.11 117.51 120.70 1p98 h ILE 32 Ca -0.03 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.37 1p98 h ILE 32 Cb 0.51 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1p98 h ILE 32 CO 0.06 0.19 -0.38 -0.08 0.00 0.00 0.00 178.15 177.94 1p98 h GLU 33 N 1.06 0.13 0.00 2.37 4.81 -1.00 -1.43 114.58 120.52 1p98 h GLU 33 Ca 0.41 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.52 1p98 h GLU 33 Cb 0.22 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1p98 h GLU 33 CO -0.16 0.49 -0.31 0.00 -0.73 0.00 0.00 179.01 178.31 1p98 h ALA 34 N 1.50 1.03 -0.05 2.92 0.00 0.65 0.58 119.26 125.90 1p98 h ALA 34 Ca 0.01 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1p98 h ALA 34 Cb 0.72 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1p98 h ALA 34 CO 0.05 0.39 -0.24 1.49 0.00 0.00 0.00 179.25 180.93 1p98 h GLU 35 N 0.00 0.25 0.00 0.00 4.81 -0.36 -3.42 114.58 115.85 1p98 h GLU 35 Ca -0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1p98 h GLU 35 Cb 0.81 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1p98 h GLU 35 CO 0.04 0.86 -0.45 1.17 -0.73 0.00 0.00 179.01 179.90 1p98 n LYS 36 N -4.51 0.24 0.00 1.92 0.00 -0.61 -5.11 118.16 110.09 1p98 n LYS 36 Ca -0.09 0.09 0.00 0.00 0.00 0.00 0.00 58.31 58.32 1p98 n LYS 36 Cb 0.46 -0.91 0.00 0.00 0.00 0.00 0.00 35.03 34.58 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 1.25 0.00 3.14 0.00 0.20 -4.79 105.19 106.53 1p98 n GLY 37 Ca -0.06 -1.70 0.10 0.00 0.00 0.00 0.00 46.02 44.35 1p98 n GLY 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1p98 n ARG 38 N -1.72 0.19 -0.05 1.61 0.63 -1.26 -1.45 116.66 114.62 1p98 n ARG 38 Ca 0.00 0.12 -0.15 0.00 -0.92 0.00 0.00 57.85 56.90 1p98 n ARG 38 Cb 0.00 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.27 1p98 n ARG 38 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1p98 n ASP 39 N -1.35 1.37 -0.05 6.15 8.00 -1.26 -3.58 116.55 125.82 1p98 n ASP 39 Ca 0.08 0.15 -0.01 0.00 0.71 0.00 0.00 54.79 55.73 1p98 n ASP 39 Cb 0.18 -0.21 -0.00 0.00 -0.02 0.00 0.00 41.12 41.07 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 0.48 0.00 -2.44 2.24 0.00 -1.82 -3.43 119.26 114.30 1p98 h ALA 40 Ca -0.44 -0.06 -0.59 0.00 0.00 0.00 0.00 54.91 53.81 1p98 h ALA 40 Cb 2.04 0.06 -0.39 0.00 0.00 0.00 0.00 17.79 19.50 1p98 h ALA 40 CO 0.04 0.06 -0.89 1.19 0.00 0.00 0.00 179.25 179.66 1p98 n PHE 41 N -4.69 0.42 -2.10 0.00 3.72 -0.53 -4.88 117.46 109.41 1p98 n PHE 41 Ca -0.01 -3.63 -0.42 0.00 -0.05 0.00 0.00 57.45 53.34 1p98 n PHE 41 Cb 0.03 -0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.44 1p98 n PHE 41 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1p98 s PRO 42 N -0.70 4.23 0.48 -1.08 0.04 -1.23 -4.15 135.00 132.59 1p98 s PRO 42 Ca 0.32 2.11 0.40 0.00 0.04 0.00 0.00 61.00 63.87 1p98 s PRO 42 Cb 0.06 -3.70 1.54 0.00 0.04 0.00 0.00 34.50 32.44 1p98 s PRO 42 CO -0.16 -0.70 1.47 1.33 0.04 0.00 0.00 177.00 178.99 1p98 n VAL 43 N 4.93 -0.11 0.17 -0.36 0.24 -1.26 -0.46 118.33 121.48 1p98 n VAL 43 Ca 0.15 1.54 -0.11 0.00 -2.04 0.00 0.00 64.34 63.88 1p98 n VAL 43 Cb 0.43 -2.55 -0.06 0.00 -1.47 0.00 0.00 33.84 30.19 1p98 n VAL 43 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1p98 h ALA 44 N 1.19 -0.98 -0.55 2.33 0.00 -1.97 -3.12 119.26 116.17 1p98 h ALA 44 Ca 0.86 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.66 1p98 h ALA 44 Cb 3.18 0.57 0.00 0.00 0.00 0.00 0.00 17.79 21.54 1p98 h ALA 44 CO -0.20 -1.01 0.00 0.41 0.00 0.00 0.00 179.25 178.45 1p98 n GLY 45 N -1.34 2.15 3.57 0.00 0.00 0.12 -4.83 105.19 104.86 1p98 n GLY 45 Ca -0.07 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 1p98 n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p98 s GLN 46 N -1.68 2.72 0.19 1.61 -1.52 0.40 -3.97 119.66 117.41 1p98 s GLN 46 Ca 0.42 -1.05 -0.08 0.00 -1.95 0.00 0.00 55.36 52.70 1p98 s GLN 46 Cb 0.26 -5.24 -0.07 0.00 -0.22 0.00 0.00 33.01 27.74 1p98 s GLN 46 CO 0.22 -3.57 0.48 0.15 -0.25 0.00 0.00 175.29 172.31 1p98 s LYS 47 N 6.29 3.72 0.12 2.91 -0.14 0.26 -4.73 119.74 128.17 1p98 s LYS 47 Ca 0.66 0.12 0.07 0.00 -1.36 0.00 0.00 55.97 55.46 1p98 s LYS 47 Cb -0.02 -2.73 -0.04 0.00 -1.68 0.00 0.00 37.83 33.37 1p98 s LYS 47 CO 0.08 0.38 -0.17 -0.51 -0.76 0.00 0.00 175.35 174.37 1p98 s LEU 48 N -2.75 2.36 -0.22 3.17 1.02 -0.96 -0.20 118.68 121.11 1p98 s LEU 48 Ca 0.45 -0.75 -0.01 0.00 0.02 0.00 0.00 54.13 53.84 1p98 s LEU 48 Cb -0.12 -0.70 0.06 0.00 0.02 0.00 0.00 46.19 45.46 1p98 s LEU 48 CO 0.23 -0.05 -0.01 -0.63 0.02 0.00 0.00 176.35 175.91 1p98 s ILE 49 N -1.68 1.04 -0.22 -0.59 -1.09 0.96 -0.81 121.20 118.81 1p98 s ILE 49 Ca 0.08 -0.91 -0.00 0.00 -2.23 0.00 0.00 60.65 57.59 1p98 s ILE 49 Cb -0.07 -1.43 0.03 0.00 -1.58 0.00 0.00 42.46 39.40 1p98 s ILE 49 CO 0.04 -0.16 -0.12 -0.47 -1.23 0.00 0.00 174.94 172.99 1p98 s TYR 50 N 1.62 2.97 -1.01 3.97 5.04 0.20 -1.75 117.35 128.40 1p98 s TYR 50 Ca -0.03 -1.66 -0.01 0.00 -2.44 0.00 0.00 57.07 52.93 1p98 s TYR 50 Cb -0.18 -1.99 0.00 0.00 0.35 0.00 0.00 41.96 40.15 1p98 s TYR 50 CO -0.07 -0.77 0.11 0.00 -1.34 0.00 0.00 175.55 173.48 1p98 n ALA 51 N 4.62 -0.43 0.00 3.97 0.00 -1.26 -2.05 120.51 125.36 1p98 n ALA 51 Ca -0.18 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1p98 n ALA 51 Cb 0.48 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.07 2.59 3.94 0.00 0.00 -1.26 -5.02 105.19 104.37 1p98 n GLY 52 Ca -0.12 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 -0.18 2.76 0.20 1.61 1.02 -0.87 -5.06 119.74 119.23 1p98 s LYS 53 Ca 0.00 -0.35 0.07 0.00 0.02 0.00 0.00 55.97 55.71 1p98 s LYS 53 Cb 0.00 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.89 1p98 s LYS 53 CO 0.00 -0.67 0.08 0.42 -0.92 0.00 0.00 175.35 174.27 1p98 s ILE 54 N -2.86 4.06 -0.08 2.17 -1.09 -1.26 -0.63 121.20 121.52 1p98 s ILE 54 Ca 0.54 -1.40 -0.04 0.00 -2.23 0.00 0.00 60.65 57.52 1p98 s ILE 54 Cb -0.10 -3.11 0.04 0.00 -1.58 0.00 0.00 42.46 37.71 1p98 s ILE 54 CO 0.42 -0.21 0.18 -1.48 -1.23 0.00 0.00 174.94 172.62 1p98 s LEU 55 N -3.31 0.73 0.49 2.97 2.34 0.01 -4.87 118.68 117.04 1p98 s LEU 55 Ca 0.30 0.37 0.08 0.00 0.06 0.00 0.00 54.13 54.94 1p98 s LEU 55 Cb -0.09 0.51 0.02 0.00 -0.56 0.00 0.00 46.19 46.08 1p98 s LEU 55 CO 0.22 -0.14 0.51 -0.55 -1.06 0.00 0.00 176.35 175.33 1p98 s SER 56 N 1.02 5.04 0.22 1.48 0.15 -1.26 -2.25 113.70 118.10 1p98 s SER 56 Ca -0.08 -0.85 0.19 0.00 0.70 0.00 0.00 55.95 55.91 1p98 s SER 56 Cb -0.09 -0.13 0.89 0.00 -1.71 0.00 0.00 66.02 64.98 1p98 s SER 56 CO -0.06 -0.94 1.57 -0.90 1.20 0.00 0.00 173.24 174.11 1p98 n ASP 57 N -1.81 0.47 0.00 5.45 5.75 -1.26 -1.87 116.55 123.28 1p98 n ASP 57 Ca 0.06 0.67 0.10 0.00 -0.01 0.00 0.00 54.79 55.61 1p98 n ASP 57 Cb 0.62 -0.75 -0.09 0.00 -1.03 0.00 0.00 41.12 39.87 1p98 n ASP 57 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1p98 n ASP 58 N -2.07 0.84 -4.88 -1.12 8.00 -1.21 -2.24 116.55 113.86 1p98 n ASP 58 Ca 0.01 -0.80 -0.30 0.00 0.71 0.00 0.00 54.79 54.40 1p98 n ASP 58 Cb 0.11 1.05 -0.04 0.00 -0.02 0.00 0.00 41.12 42.22 1p98 n ASP 58 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1p98 s VAL 59 N -3.07 4.87 0.25 2.53 -7.23 -0.78 -4.90 120.40 112.07 1p98 s VAL 59 Ca 0.06 0.47 -0.30 0.00 -1.81 0.00 0.00 61.98 60.40 1p98 s VAL 59 Cb 0.16 -3.70 -0.09 0.00 0.56 0.00 0.00 36.38 33.31 1p98 s VAL 59 CO 0.86 -0.35 0.98 -2.16 -0.31 0.00 0.00 175.10 174.12 1p98 s PRO 60 N -3.49 4.80 0.49 4.82 0.05 -1.26 -3.18 135.00 137.23 1p98 s PRO 60 Ca 0.49 1.57 0.16 0.00 0.05 0.00 0.00 61.00 63.26 1p98 s PRO 60 Cb -0.11 -3.26 1.16 0.00 0.05 0.00 0.00 34.50 32.35 1p98 s PRO 60 CO 0.28 0.44 2.08 0.82 0.05 0.00 0.00 177.00 180.67 1p98 h ILE 61 N 3.15 1.05 0.00 0.56 1.08 -1.33 -1.69 117.51 120.33 1p98 h ILE 61 Ca -0.45 -0.28 -0.10 0.00 -0.39 0.00 0.00 64.86 63.64 1p98 h ILE 61 Cb 1.20 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 36.09 1p98 h ILE 61 CO 0.68 0.08 -0.45 -0.09 -0.69 0.00 0.00 178.15 177.67 1p98 h ARG 62 N 0.00 0.00 -0.03 2.37 2.43 0.24 -2.17 114.38 117.23 1p98 h ARG 62 Ca -0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1p98 h ARG 62 Cb 0.15 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1p98 h ARG 62 CO 0.01 0.45 0.02 0.22 -1.51 0.00 0.00 179.97 179.17 1p98 h ASP 63 N 0.00 0.00 -0.35 -3.80 1.82 -1.56 -1.06 116.42 111.47 1p98 h ASP 63 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1p98 h ASP 63 Cb 0.81 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.82 1p98 h ASP 63 CO 0.06 0.00 0.00 -1.22 -1.61 0.00 0.00 179.24 176.47 1p98 n TYR 64 N -4.40 1.06 -3.47 0.28 4.02 -0.86 -4.97 117.16 108.82 1p98 n TYR 64 Ca -0.02 -0.77 -0.21 0.00 -0.01 0.00 0.00 57.90 56.88 1p98 n TYR 64 Cb 0.12 -0.29 -0.03 0.00 -0.02 0.00 0.00 39.34 39.12 1p98 n TYR 64 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1p98 n ARG 65 N -0.04 -2.13 -2.26 -0.72 5.12 -0.40 -4.75 116.66 111.49 1p98 n ARG 65 Ca 0.21 0.14 -0.33 0.00 -1.93 0.00 0.00 57.85 55.95 1p98 n ARG 65 Cb 0.86 -4.71 -0.04 0.00 -1.16 0.00 0.00 32.46 27.40 1p98 n ARG 65 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1p98 s ILE 66 N -2.67 3.67 0.38 0.55 1.01 -0.97 -4.91 121.20 118.26 1p98 s ILE 66 Ca 0.40 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 60.35 1p98 s ILE 66 Cb -0.23 -4.53 -0.01 0.00 0.01 0.00 0.00 42.46 37.70 1p98 s ILE 66 CO 0.50 -1.36 0.55 -0.62 0.00 0.00 0.00 174.94 174.01 1p98 s ASP 67 N 6.49 5.93 0.14 3.58 2.15 -1.26 -4.77 116.67 128.93 1p98 s ASP 67 Ca 0.61 0.04 -0.21 0.00 0.43 0.00 0.00 52.55 53.42 1p98 s ASP 67 Cb -0.03 -1.40 0.02 0.00 -0.30 0.00 0.00 42.92 41.21 1p98 s ASP 67 CO -0.00 -0.53 1.66 -0.08 -0.17 0.00 0.00 175.17 176.04 1p98 h GLU 68 N 0.69 -0.16 -0.46 4.34 4.22 -1.91 -1.96 114.58 119.34 1p98 h GLU 68 Ca -0.46 0.01 0.13 0.00 0.08 0.00 0.00 59.36 59.12 1p98 h GLU 68 Cb 1.25 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1p98 h GLU 68 CO 0.55 -0.11 0.47 -0.22 -2.18 0.00 0.00 179.01 177.52 1p98 h LYS 69 N -0.17 0.00 -6.20 1.92 3.11 -1.96 -3.40 116.57 109.87 1p98 h LYS 69 Ca 0.13 0.00 -0.49 0.00 -2.81 0.00 0.00 60.65 57.47 1p98 h LYS 69 Cb 0.36 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.55 1p98 h LYS 69 CO -0.32 0.00 -0.46 1.21 -2.81 0.00 0.00 179.45 177.07 1p98 s ASN 70 N -5.31 5.39 0.01 4.20 2.47 -0.74 -5.13 114.94 115.83 1p98 s ASN 70 Ca -0.04 -0.41 0.01 0.00 0.42 0.00 0.00 52.86 52.83 1p98 s ASN 70 Cb 0.16 -1.10 -0.01 0.00 -1.45 0.00 0.00 41.25 38.85 1p98 s ASN 70 CO 0.57 -0.27 -0.03 0.72 -3.72 0.00 0.00 177.10 174.36 1p98 s PHE 71 N -2.25 0.25 0.26 0.43 -0.12 -1.26 -4.12 117.98 111.17 1p98 s PHE 71 Ca 0.39 -0.15 0.05 0.00 -0.05 0.00 0.00 56.93 57.17 1p98 s PHE 71 Cb -0.07 -0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.13 1p98 s PHE 71 CO 0.26 -0.04 0.35 0.54 -0.05 0.00 0.00 175.22 176.29 1p98 s VAL 72 N -0.39 4.98 -0.28 -2.49 0.11 -0.27 -4.91 120.40 117.15 1p98 s VAL 72 Ca -0.03 -1.05 -0.12 0.00 -2.93 0.00 0.00 61.98 57.86 1p98 s VAL 72 Cb -0.03 -3.74 -0.05 0.00 -1.53 0.00 0.00 36.38 31.04 1p98 s VAL 72 CO -0.00 -0.31 0.23 -0.69 -3.33 0.00 0.00 175.10 171.00 1p98 s VAL 73 N -2.03 5.28 -1.00 2.04 1.01 -0.72 -1.02 120.40 123.96 1p98 s VAL 73 Ca 0.35 0.25 -0.20 0.00 0.00 0.00 0.00 61.98 62.39 1p98 s VAL 73 Cb -0.09 -3.57 0.10 0.00 0.00 0.00 0.00 36.38 32.82 1p98 s VAL 73 CO 0.29 0.23 1.31 0.54 0.00 0.00 0.00 175.10 177.47 1p98 s VAL 74 N 1.82 4.38 -0.02 2.92 0.11 -0.33 -0.02 120.40 129.26 1p98 s VAL 74 Ca 0.09 -1.32 -0.15 0.00 -2.93 0.00 0.00 61.98 57.66 1p98 s VAL 74 Cb -0.16 -4.93 -0.05 0.00 -1.53 0.00 0.00 36.38 29.71 1p98 s VAL 74 CO 0.11 -1.72 0.42 -0.32 -3.33 0.00 0.00 175.10 170.25 1p98 s MET 75 N 3.65 4.00 -0.04 1.54 0.00 0.72 -4.29 119.30 124.89 1p98 s MET 75 Ca 0.40 0.42 0.01 0.00 0.00 0.00 0.00 55.69 56.51 1p98 s MET 75 Cb -0.02 -3.26 0.02 0.00 0.00 0.00 0.00 34.83 31.57 1p98 s MET 75 CO -0.08 0.60 -0.03 0.08 0.00 0.00 0.00 175.02 175.59 1p98 s VAL 76 N -0.78 0.40 0.03 10.11 1.01 -1.26 -0.57 120.40 129.33 1p98 s VAL 76 Ca 0.24 -0.03 -0.39 0.00 0.00 0.00 0.00 61.98 61.80 1p98 s VAL 76 Cb -0.16 -0.46 -0.18 0.00 0.00 0.00 0.00 36.38 35.57 1p98 s VAL 76 CO 0.13 0.20 1.23 1.07 0.00 0.00 0.00 175.10 177.72 1p98 n THR 77 N 4.15 0.01 -0.67 3.92 5.66 -1.25 -5.04 114.28 121.06 1p98 n THR 77 Ca -0.24 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 1p98 n THR 77 Cb 0.51 -0.44 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 1p98 n THR 77 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19