#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 0.78 1.00 3.04 0.00 -1.26 -5.00 121.76 120.31 1p98 s ALA 2 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1p98 s ALA 2 Cb 0.00 1.28 0.00 0.00 0.00 0.00 0.00 23.12 24.40 1p98 s ALA 2 CO 0.00 -0.69 0.00 1.33 0.00 0.00 0.00 175.76 176.40 1p98 n VAL 3 N -0.36 0.00 -4.21 0.00 0.24 -0.58 -4.79 118.33 108.62 1p98 n VAL 3 Ca 0.01 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.05 1p98 n VAL 3 Cb 0.64 -1.28 -0.07 0.00 -1.47 0.00 0.00 33.84 31.66 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 -0.17 2.05 0.12 3.34 2.01 -1.26 -2.99 115.64 118.76 1p98 s THR 4 Ca 0.00 -1.73 -0.05 0.00 0.31 0.00 0.00 61.69 60.21 1p98 s THR 4 Cb 0.00 -2.78 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 1p98 s THR 4 CO 0.00 0.00 0.16 -0.63 -0.69 0.00 0.00 174.62 173.46 1p98 s ILE 5 N -2.67 0.11 -0.04 1.82 1.01 0.14 -4.32 121.20 117.26 1p98 s ILE 5 Ca 0.35 -1.56 -0.02 0.00 0.00 0.00 0.00 60.65 59.43 1p98 s ILE 5 Cb 0.03 -1.76 0.03 0.00 0.01 0.00 0.00 42.46 40.77 1p98 s ILE 5 CO 0.20 -0.51 0.05 -0.89 0.00 0.00 0.00 174.94 173.79 1p98 s THR 6 N -3.96 -0.08 0.45 2.92 2.01 -1.26 -2.19 115.64 113.52 1p98 s THR 6 Ca 0.16 0.39 0.05 0.00 0.31 0.00 0.00 61.69 62.60 1p98 s THR 6 Cb 0.05 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 72.36 1p98 s THR 6 CO -0.03 0.17 0.08 -0.76 -0.69 0.00 0.00 174.62 173.39 1p98 s LEU 7 N 2.01 2.76 -0.28 4.42 2.01 0.42 -1.27 118.68 128.74 1p98 s LEU 7 Ca 0.03 -1.37 -0.16 0.00 0.01 0.00 0.00 54.13 52.64 1p98 s LEU 7 Cb -0.12 -1.00 0.09 0.00 0.01 0.00 0.00 46.19 45.16 1p98 s LEU 7 CO -0.03 -0.63 0.71 -0.75 1.01 0.00 0.00 176.35 176.66 1p98 s LYS 8 N -3.85 0.68 -1.32 1.70 2.20 0.25 -1.81 119.74 117.59 1p98 s LYS 8 Ca 0.28 1.19 -0.12 0.00 -0.36 0.00 0.00 55.97 56.96 1p98 s LYS 8 Cb 0.05 0.16 0.12 0.00 -1.51 0.00 0.00 37.83 36.66 1p98 s LYS 8 CO 0.15 -0.15 1.89 0.25 -0.36 0.00 0.00 175.35 177.14 1p98 n THR 9 N 4.31 4.06 0.00 3.43 -2.24 -0.40 -0.71 114.28 122.73 1p98 n THR 9 Ca -0.20 -4.05 0.00 0.00 -2.27 0.00 0.00 64.05 57.53 1p98 n THR 9 Cb 0.59 -2.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.38 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 5.14 0.00 0.00 3.22 4.32 -1.26 -2.96 117.00 125.45 1p98 n LEU 10 Ca 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.42 1p98 n LEU 10 Cb 0.39 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1p98 n LEU 10 CO 0.81 0.00 0.00 1.67 -1.22 0.00 0.00 177.39 178.65 1p98 n GLN 11 N 0.00 0.00 -0.01 3.23 7.27 -1.26 -5.05 117.38 121.55 1p98 n GLN 11 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.07 1p98 n GLN 11 Cb 0.00 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 32.65 1p98 n GLN 11 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1p98 n GLN 12 N 0.00 -0.01 -4.19 3.69 7.27 -1.16 -4.48 117.38 118.50 1p98 n GLN 12 Ca 0.00 0.76 -0.30 0.00 0.07 0.00 0.00 57.00 57.53 1p98 n GLN 12 Cb 0.00 -1.14 -0.09 0.00 2.41 0.00 0.00 30.24 31.42 1p98 n GLN 12 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1p98 s GLN 13 N -3.10 2.33 -0.09 3.69 -0.21 -1.26 -5.00 119.66 116.02 1p98 s GLN 13 Ca -0.00 -0.93 -0.03 0.00 0.02 0.00 0.00 55.36 54.42 1p98 s GLN 13 Cb 0.00 -2.42 0.04 0.00 1.00 0.00 0.00 33.01 31.64 1p98 s GLN 13 CO 0.02 0.53 0.10 0.99 -2.12 0.00 0.00 175.29 174.80 1p98 s THR 14 N -1.25 -0.15 0.00 -0.19 2.01 -1.26 -1.27 115.64 113.53 1p98 s THR 14 Ca 0.23 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1p98 s THR 14 Cb -0.11 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.08 1p98 s THR 14 CO 0.16 0.03 0.00 2.22 -0.69 0.00 0.00 174.62 176.34 1p98 n PHE 15 N 5.30 0.00 -3.59 4.92 1.16 -0.75 -5.01 117.46 119.49 1p98 n PHE 15 Ca -0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.40 1p98 n PHE 15 Cb 0.50 0.00 -0.05 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 -1.57 1.02 0.07 3.97 -2.85 -1.26 -0.44 119.74 118.68 1p98 s LYS 16 Ca 0.00 -0.34 0.02 0.00 -1.00 0.00 0.00 55.97 54.65 1p98 s LYS 16 Cb 0.00 0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 1p98 s LYS 16 CO 0.00 -0.37 -0.06 0.42 0.10 0.00 0.00 175.35 175.43 1p98 s ILE 17 N -2.69 0.57 -1.05 3.79 -1.09 -0.93 -4.94 121.20 114.86 1p98 s ILE 17 Ca -0.04 -1.63 -0.03 0.00 -2.23 0.00 0.00 60.65 56.72 1p98 s ILE 17 Cb -0.00 -1.29 0.31 0.00 -1.58 0.00 0.00 42.46 39.89 1p98 s ILE 17 CO -0.04 -0.73 1.46 -1.14 -1.23 0.00 0.00 174.94 173.27 1p98 n ARG 18 N 0.49 4.43 -2.08 2.79 0.63 -1.26 0.28 116.66 121.94 1p98 n ARG 18 Ca -0.16 -4.57 -0.08 0.00 -0.92 0.00 0.00 57.85 52.12 1p98 n ARG 18 Cb 0.59 -2.49 0.01 0.00 0.45 0.00 0.00 32.46 31.01 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 1.21 1.09 -5.10 -0.14 0.00 -1.16 -4.78 117.12 108.23 1p98 n MET 19 Ca 0.27 -1.14 -0.32 0.00 0.00 0.00 0.00 57.70 56.51 1p98 n MET 19 Cb 0.33 0.05 -0.15 0.00 0.00 0.00 0.00 33.22 33.46 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 -2.82 2.48 0.00 3.17 2.12 -1.26 -1.53 118.70 120.86 1p98 s GLU 20 Ca 0.14 -0.82 0.04 0.00 0.36 0.00 0.00 54.97 54.69 1p98 s GLU 20 Cb -0.01 -2.24 0.19 0.00 0.26 0.00 0.00 34.13 32.33 1p98 s GLU 20 CO 0.09 0.50 1.07 -2.30 -0.54 0.00 0.00 175.26 174.09 1p98 n PRO 21 N 2.62 0.02 0.01 4.30 -0.02 -1.26 -1.90 135.00 138.77 1p98 n PRO 21 Ca -0.17 0.36 0.02 0.00 -2.02 0.00 0.00 63.50 61.69 1p98 n PRO 21 Cb 0.52 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.40 1p98 n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1p98 n ASP 22 N -1.42 0.60 -4.61 2.55 8.00 -1.26 -0.40 116.55 120.01 1p98 n ASP 22 Ca 0.01 0.26 -0.29 0.00 0.71 0.00 0.00 54.79 55.48 1p98 n ASP 22 Cb 0.04 0.61 0.20 0.00 -0.02 0.00 0.00 41.12 41.95 1p98 n ASP 22 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1p98 s GLU 23 N -3.01 0.10 -0.18 -1.24 -1.05 -0.80 -4.71 118.70 107.82 1p98 s GLU 23 Ca -0.04 0.86 0.06 0.00 -0.15 0.00 0.00 54.97 55.69 1p98 s GLU 23 Cb 0.09 -1.67 0.43 0.00 -0.44 0.00 0.00 34.13 32.54 1p98 s GLU 23 CO 0.83 -3.04 1.34 0.25 0.95 0.00 0.00 175.26 175.59 1p98 n THR 24 N -4.44 1.85 0.00 1.83 -2.24 -1.26 -1.81 114.28 108.22 1p98 n THR 24 Ca 0.05 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1p98 n THR 24 Cb 0.55 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 0.03 0.00 -0.21 2.28 0.31 -1.19 -2.82 118.33 116.73 1p98 n VAL 25 Ca 0.23 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.56 1p98 n VAL 25 Cb 0.95 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.98 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 0.33 0.48 -0.82 5.55 3.64 -1.68 0.36 116.57 124.43 1p98 h LYS 26 Ca 0.00 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1p98 h LYS 26 Cb 0.00 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.64 1p98 h LYS 26 CO 0.00 0.32 0.47 0.28 -2.27 0.00 0.00 179.45 178.25 1p98 h VAL 27 N 0.50 0.92 -0.94 2.00 2.07 -1.87 -1.25 116.25 117.67 1p98 h VAL 27 Ca 0.30 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1p98 h VAL 27 Cb 0.32 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 1p98 h VAL 27 CO -0.26 0.15 0.62 0.25 0.02 0.00 0.00 177.57 178.34 1p98 h LEU 28 N 0.80 1.02 -0.99 2.57 5.85 -1.36 0.13 115.31 123.33 1p98 h LEU 28 Ca 0.39 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.19 1p98 h LEU 28 Cb 0.34 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.06 1p98 h LEU 28 CO -0.24 0.70 0.63 0.11 -0.34 0.00 0.00 178.44 179.30 1p98 h LYS 29 N 1.18 1.03 -0.77 1.25 1.79 -0.15 -0.13 116.57 120.78 1p98 h LYS 29 Ca 0.38 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.75 1p98 h LYS 29 Cb 0.02 -0.23 -0.04 0.00 -1.58 0.00 0.00 32.23 30.40 1p98 h LYS 29 CO -0.12 0.68 0.33 0.93 -1.08 0.00 0.00 179.45 180.20 1p98 h GLU 30 N 1.06 1.13 0.15 3.15 5.08 -0.54 -0.85 114.58 123.77 1p98 h GLU 30 Ca 0.46 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1p98 h GLU 30 Cb 0.33 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1p98 h GLU 30 CO -0.22 0.90 -0.07 0.87 -1.00 0.00 0.00 179.01 179.49 1p98 h LYS 31 N 1.12 -0.20 -0.91 2.33 6.56 -0.74 -0.62 116.57 124.11 1p98 h LYS 31 Ca 0.26 0.01 0.08 0.00 -1.06 0.00 0.00 60.65 59.95 1p98 h LYS 31 Cb 0.17 0.04 -0.06 0.00 -0.57 0.00 0.00 32.23 31.81 1p98 h LYS 31 CO -0.03 0.24 0.59 0.82 -2.06 0.00 0.00 179.45 179.01 1p98 h ILE 32 N -0.84 1.02 0.00 1.86 2.04 -1.10 0.13 117.51 120.61 1p98 h ILE 32 Ca -0.02 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.39 1p98 h ILE 32 Cb 0.53 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 1p98 h ILE 32 CO 0.03 0.18 -0.54 -0.08 0.00 0.00 0.00 178.15 177.74 1p98 h GLU 33 N 0.97 0.00 0.00 2.37 4.22 -1.19 -1.37 114.58 119.58 1p98 h GLU 33 Ca 0.41 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.75 1p98 h GLU 33 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1p98 h GLU 33 CO -0.17 0.54 -0.46 0.00 -2.18 0.00 0.00 179.01 176.75 1p98 h ALA 34 N 1.46 0.98 -0.03 2.92 0.00 0.70 0.55 119.26 125.83 1p98 h ALA 34 Ca -0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1p98 h ALA 34 Cb 0.98 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1p98 h ALA 34 CO 0.07 0.57 -0.11 1.49 0.00 0.00 0.00 179.25 181.27 1p98 h GLU 35 N 0.00 0.13 0.00 0.00 4.81 -0.43 -3.42 114.58 115.67 1p98 h GLU 35 Ca -0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1p98 h GLU 35 Cb 0.97 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1p98 h GLU 35 CO 0.06 0.74 -0.44 1.17 -0.73 0.00 0.00 179.01 179.81 1p98 n LYS 36 N -4.65 0.26 0.00 1.92 0.00 -0.56 -5.11 118.16 110.03 1p98 n LYS 36 Ca -0.09 0.20 0.00 0.00 0.00 0.00 0.00 58.31 58.42 1p98 n LYS 36 Cb 0.38 -1.07 0.00 0.00 0.00 0.00 0.00 35.03 34.35 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 1.46 0.00 3.14 0.00 0.19 -4.75 105.19 106.78 1p98 n GLY 37 Ca -0.06 -1.88 0.04 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.96 0.97 -0.08 1.61 1.85 -1.26 -1.56 116.66 116.23 1p98 n ARG 38 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.76 1p98 n ARG 38 Cb 0.00 -1.12 -0.11 0.00 -1.05 0.00 0.00 32.46 30.18 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 -0.62 1.60 -0.05 2.89 8.00 -1.26 -4.33 116.55 122.78 1p98 n ASP 39 Ca 0.05 -0.03 -0.02 0.00 0.71 0.00 0.00 54.79 55.51 1p98 n ASP 39 Cb 0.03 0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 41.69 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 0.55 0.00 -2.72 2.24 0.00 -1.81 -3.45 119.26 114.07 1p98 h ALA 40 Ca -0.41 -0.27 -0.59 0.00 0.00 0.00 0.00 54.91 53.63 1p98 h ALA 40 Cb 1.86 0.24 -0.39 0.00 0.00 0.00 0.00 17.79 19.49 1p98 h ALA 40 CO -0.00 0.24 -0.82 -0.06 0.00 0.00 0.00 179.25 178.61 1p98 s PHE 41 N -1.74 1.34 -0.05 0.00 0.08 -0.60 -5.01 117.98 112.00 1p98 s PHE 41 Ca -0.07 -2.08 -0.30 0.00 0.12 0.00 0.00 56.93 54.60 1p98 s PHE 41 Cb 0.01 -1.33 -0.04 0.00 -0.57 0.00 0.00 43.02 41.09 1p98 s PHE 41 CO 0.10 -0.80 1.27 -2.14 -0.10 0.00 0.00 175.22 173.56 1p98 s PRO 42 N 0.56 4.31 0.55 0.24 0.02 -1.24 -4.08 135.00 135.35 1p98 s PRO 42 Ca 0.20 1.76 0.49 0.00 0.02 0.00 0.00 61.00 63.47 1p98 s PRO 42 Cb -0.19 -3.60 1.72 0.00 0.02 0.00 0.00 34.50 32.45 1p98 s PRO 42 CO -0.03 -0.53 1.58 -0.39 -0.33 0.00 0.00 177.00 177.30 1p98 h VAL 43 N 5.06 0.01 0.00 3.83 -1.51 -1.89 -1.44 116.25 120.31 1p98 h VAL 43 Ca -0.34 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 1p98 h VAL 43 Cb 1.16 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 1p98 h VAL 43 CO 0.90 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.24 1p98 n ALA 44 N -2.88 -0.17 -0.20 5.19 0.00 -1.26 -3.19 120.51 118.01 1p98 n ALA 44 Ca 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.84 1p98 n ALA 44 Cb 1.97 0.16 0.18 0.00 0.00 0.00 0.00 19.45 21.76 1p98 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p98 n GLY 45 N -0.87 2.85 2.46 0.00 0.00 -0.63 -4.70 105.19 104.29 1p98 n GLY 45 Ca 0.00 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 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 0.01 3.52 -1.43 1.61 6.02 -0.66 -3.91 117.38 122.55 1p98 n GLN 46 Ca 0.24 -2.45 -0.31 0.00 -0.01 0.00 0.00 57.00 54.48 1p98 n GLN 46 Cb 0.98 -2.94 0.08 0.00 1.02 0.00 0.00 30.24 29.38 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 2.18 2.31 0.05 -1.09 1.02 0.30 -4.85 119.74 119.66 1p98 s LYS 47 Ca 0.61 0.92 0.02 0.00 0.02 0.00 0.00 55.97 57.55 1p98 s LYS 47 Cb 0.17 -1.92 -0.03 0.00 -0.52 0.00 0.00 37.83 35.53 1p98 s LYS 47 CO -0.07 -1.54 -0.08 -0.51 -0.92 0.00 0.00 175.35 172.24 1p98 s LEU 48 N -5.80 2.28 -0.18 3.17 1.02 -0.90 -0.30 118.68 117.98 1p98 s LEU 48 Ca 0.60 -0.60 -0.01 0.00 0.02 0.00 0.00 54.13 54.14 1p98 s LEU 48 Cb -0.16 -0.17 0.05 0.00 0.02 0.00 0.00 46.19 45.93 1p98 s LEU 48 CO 0.55 -0.23 -0.04 -0.63 0.02 0.00 0.00 176.35 176.03 1p98 s ILE 49 N -1.62 1.10 -0.19 -0.59 -1.09 0.64 -1.01 121.20 118.44 1p98 s ILE 49 Ca -0.07 -0.70 0.01 0.00 -2.23 0.00 0.00 60.65 57.66 1p98 s ILE 49 Cb -0.08 -1.33 0.03 0.00 -1.58 0.00 0.00 42.46 39.50 1p98 s ILE 49 CO -0.00 0.06 -0.16 -0.47 -1.23 0.00 0.00 174.94 173.13 1p98 s TYR 50 N 1.63 2.74 -1.09 3.97 5.04 -0.14 -1.63 117.35 127.86 1p98 s TYR 50 Ca -0.00 -1.71 -0.02 0.00 -2.44 0.00 0.00 57.07 52.90 1p98 s TYR 50 Cb -0.16 -1.84 0.00 0.00 0.35 0.00 0.00 41.96 40.31 1p98 s TYR 50 CO -0.07 -0.80 0.25 0.00 -1.34 0.00 0.00 175.55 173.59 1p98 n ALA 51 N 4.61 -0.56 -0.17 3.97 0.00 -1.26 -1.97 120.51 125.13 1p98 n ALA 51 Ca -0.18 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1p98 n ALA 51 Cb 0.48 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 -1.17 2.50 3.94 0.00 0.00 -1.26 -5.02 105.19 104.19 1p98 n GLY 52 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.05 3.02 0.15 1.61 3.01 -0.83 -5.07 119.74 121.57 1p98 s LYS 53 Ca 0.00 -0.37 0.07 0.00 -1.01 0.00 0.00 55.97 54.65 1p98 s LYS 53 Cb 0.00 -2.48 -0.04 0.00 -1.01 0.00 0.00 37.83 34.30 1p98 s LYS 53 CO 0.00 -0.39 0.00 0.42 0.51 0.00 0.00 175.35 175.90 1p98 s ILE 54 N -2.67 3.82 -0.08 2.17 -1.09 -1.26 -0.97 121.20 121.12 1p98 s ILE 54 Ca 0.50 -1.28 -0.04 0.00 -2.23 0.00 0.00 60.65 57.59 1p98 s ILE 54 Cb -0.10 -2.89 0.04 0.00 -1.58 0.00 0.00 42.46 37.93 1p98 s ILE 54 CO 0.40 -0.04 0.20 -1.48 -1.23 0.00 0.00 174.94 172.78 1p98 s LEU 55 N -2.75 0.68 0.45 2.97 2.34 -0.18 -4.92 118.68 117.27 1p98 s LEU 55 Ca 0.27 0.41 0.08 0.00 0.06 0.00 0.00 54.13 54.95 1p98 s LEU 55 Cb -0.10 0.57 0.01 0.00 -0.56 0.00 0.00 46.19 46.11 1p98 s LEU 55 CO 0.19 -0.14 0.48 -0.55 -1.06 0.00 0.00 176.35 175.27 1p98 s SER 56 N 1.03 5.17 0.22 1.48 0.15 -1.26 -2.11 113.70 118.39 1p98 s SER 56 Ca -0.08 -0.73 0.15 0.00 0.70 0.00 0.00 55.95 56.00 1p98 s SER 56 Cb -0.09 -0.38 0.83 0.00 -1.71 0.00 0.00 66.02 64.66 1p98 s SER 56 CO -0.06 -0.82 1.47 -0.90 1.20 0.00 0.00 173.24 174.14 1p98 n ASP 57 N -1.74 0.40 -0.41 5.45 5.75 -1.26 -1.66 116.55 123.08 1p98 n ASP 57 Ca 0.06 0.68 0.10 0.00 -0.01 0.00 0.00 54.79 55.62 1p98 n ASP 57 Cb 0.61 -0.73 -0.02 0.00 -1.03 0.00 0.00 41.12 39.95 1p98 n ASP 57 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1p98 n ASP 58 N -2.03 1.84 -4.90 -1.12 2.03 -1.18 -2.10 116.55 109.08 1p98 n ASP 58 Ca -0.01 -1.42 -0.31 0.00 0.52 0.00 0.00 54.79 53.58 1p98 n ASP 58 Cb 0.03 0.55 -0.04 0.00 -0.72 0.00 0.00 41.12 40.94 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 -2.46 5.14 0.22 5.18 -7.23 -0.66 -4.89 120.40 115.70 1p98 s VAL 59 Ca 0.16 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.03 1p98 s VAL 59 Cb 0.17 -3.65 -0.08 0.00 0.56 0.00 0.00 36.38 33.37 1p98 s VAL 59 CO 0.58 -0.04 0.97 -2.16 -0.31 0.00 0.00 175.10 174.15 1p98 s PRO 60 N -2.87 4.79 0.39 4.82 0.05 -1.26 -3.16 135.00 137.77 1p98 s PRO 60 Ca 0.41 1.53 0.07 0.00 0.05 0.00 0.00 61.00 63.07 1p98 s PRO 60 Cb -0.12 -3.29 0.80 0.00 0.05 0.00 0.00 34.50 31.95 1p98 s PRO 60 CO 0.26 0.41 1.99 0.82 0.05 0.00 0.00 177.00 180.52 1p98 h ILE 61 N 3.32 1.14 -0.11 0.56 1.08 -1.44 -1.71 117.51 120.35 1p98 h ILE 61 Ca -0.45 -0.46 -0.03 0.00 -0.39 0.00 0.00 64.86 63.53 1p98 h ILE 61 Cb 1.20 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 1p98 h ILE 61 CO 0.69 0.17 -0.08 -0.09 -0.69 0.00 0.00 178.15 178.15 1p98 h ARG 62 N 0.43 0.16 0.00 2.37 2.43 -0.98 -1.12 114.38 117.67 1p98 h ARG 62 Ca 0.11 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1p98 h ARG 62 Cb 0.14 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1p98 h ARG 62 CO -0.01 0.25 -0.06 0.22 -1.51 0.00 0.00 179.97 178.86 1p98 h ASP 63 N 0.16 0.00 -0.25 -3.80 3.58 -1.59 -1.26 116.42 113.25 1p98 h ASP 63 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1p98 h ASP 63 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1p98 h ASP 63 CO 0.01 0.06 0.00 -1.22 -2.88 0.00 0.00 179.24 175.21 1p98 n TYR 64 N -3.99 0.67 -4.13 0.28 4.02 -0.53 -4.99 117.16 108.49 1p98 n TYR 64 Ca -0.03 -0.75 -0.35 0.00 -0.01 0.00 0.00 57.90 56.76 1p98 n TYR 64 Cb 0.15 -0.20 -0.07 0.00 -0.02 0.00 0.00 39.34 39.20 1p98 n TYR 64 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1p98 n ARG 65 N -0.27 -0.79 -2.11 -0.72 1.85 -0.48 -4.72 116.66 109.43 1p98 n ARG 65 Ca 0.17 0.11 -0.30 0.00 -1.00 0.00 0.00 57.85 56.83 1p98 n ARG 65 Cb 0.70 -3.90 -0.04 0.00 -1.05 0.00 0.00 32.46 28.16 1p98 n ARG 65 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1p98 s ILE 66 N -3.19 3.49 0.30 8.89 1.01 -1.10 -4.92 121.20 125.68 1p98 s ILE 66 Ca 0.59 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.90 1p98 s ILE 66 Cb -0.34 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 1p98 s ILE 66 CO 0.89 -1.06 0.54 1.51 0.00 0.00 0.00 174.94 176.82 1p98 s ASP 67 N 7.64 6.40 0.20 3.58 -4.77 -1.26 -4.92 116.67 123.53 1p98 s ASP 67 Ca 0.66 0.63 -0.11 0.00 -3.30 0.00 0.00 52.55 50.43 1p98 s ASP 67 Cb -0.07 -2.11 0.17 0.00 -1.09 0.00 0.00 42.92 39.82 1p98 s ASP 67 CO 0.02 -0.22 1.82 1.05 0.70 0.00 0.00 175.17 178.55 1p98 h GLU 68 N 1.45 0.69 -0.75 2.11 9.09 -1.92 -1.93 114.58 123.33 1p98 h GLU 68 Ca -0.48 -0.04 0.22 0.00 0.05 0.00 0.00 59.36 59.10 1p98 h GLU 68 Cb 1.20 -0.16 -0.03 0.00 -1.65 0.00 0.00 28.75 28.11 1p98 h GLU 68 CO 0.65 0.46 0.57 0.87 0.05 0.00 0.00 179.01 181.61 1p98 h LYS 69 N 0.71 0.00 -6.18 1.06 6.56 -1.95 -3.41 116.57 113.36 1p98 h LYS 69 Ca 0.26 0.00 -0.51 0.00 -1.06 0.00 0.00 60.65 59.33 1p98 h LYS 69 Cb 0.06 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 31.67 1p98 h LYS 69 CO -0.12 0.00 -0.51 1.21 -2.06 0.00 0.00 179.45 177.96 1p98 s ASN 70 N -5.66 5.16 0.02 0.86 2.47 -0.73 -5.13 114.94 111.93 1p98 s ASN 70 Ca -0.05 -0.48 0.03 0.00 0.42 0.00 0.00 52.86 52.78 1p98 s ASN 70 Cb 0.20 -1.05 -0.02 0.00 -1.45 0.00 0.00 41.25 38.93 1p98 s ASN 70 CO 0.72 -0.20 -0.10 0.72 -3.72 0.00 0.00 177.10 174.53 1p98 s PHE 71 N -2.27 0.85 0.41 0.43 -0.12 -1.26 -4.26 117.98 111.76 1p98 s PHE 71 Ca 0.36 -0.29 0.00 0.00 -0.05 0.00 0.00 56.93 56.96 1p98 s PHE 71 Cb -0.06 -0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 41.79 1p98 s PHE 71 CO 0.24 -0.01 0.63 0.54 -0.05 0.00 0.00 175.22 176.57 1p98 s VAL 72 N -0.69 4.47 -0.37 -2.49 0.11 -0.40 -4.93 120.40 116.11 1p98 s VAL 72 Ca -0.01 -0.44 -0.12 0.00 -2.93 0.00 0.00 61.98 58.49 1p98 s VAL 72 Cb -0.06 -3.65 0.02 0.00 -1.53 0.00 0.00 36.38 31.16 1p98 s VAL 72 CO 0.00 -0.45 0.22 -0.69 -3.33 0.00 0.00 175.10 170.85 1p98 s VAL 73 N -2.48 4.71 -0.81 2.04 1.01 -0.65 -0.58 120.40 123.65 1p98 s VAL 73 Ca 0.45 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 61.42 1p98 s VAL 73 Cb -0.10 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1p98 s VAL 73 CO 0.38 -0.21 1.59 0.54 0.00 0.00 0.00 175.10 177.39 1p98 s VAL 74 N 1.59 3.63 -0.02 2.92 0.11 0.11 -0.26 120.40 128.48 1p98 s VAL 74 Ca 0.03 -0.07 -0.10 0.00 -2.93 0.00 0.00 61.98 58.91 1p98 s VAL 74 Cb -0.19 -4.55 -0.05 0.00 -1.53 0.00 0.00 36.38 30.06 1p98 s VAL 74 CO 0.07 -1.48 0.30 -0.32 -3.33 0.00 0.00 175.10 170.34 1p98 s MET 75 N 6.10 3.68 0.02 1.54 1.75 0.59 -4.49 119.30 128.49 1p98 s MET 75 Ca 0.52 0.11 -0.01 0.00 -1.25 0.00 0.00 55.69 55.07 1p98 s MET 75 Cb -0.07 -3.15 -0.02 0.00 2.84 0.00 0.00 34.83 34.44 1p98 s MET 75 CO 0.07 0.69 -0.02 0.08 -0.65 0.00 0.00 175.02 175.19 1p98 s VAL 76 N -1.17 0.11 -0.81 10.11 1.01 -1.25 -0.54 120.40 127.87 1p98 s VAL 76 Ca 0.24 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 61.04 1p98 s VAL 76 Cb -0.14 -0.33 0.05 0.00 0.00 0.00 0.00 36.38 35.96 1p98 s VAL 76 CO 0.12 -0.51 1.24 -0.89 0.00 0.00 0.00 175.10 175.06 1p98 s THR 77 N -1.57 3.98 0.00 3.92 2.01 -1.26 -5.06 115.64 117.67 1p98 s THR 77 Ca -0.15 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.64 1p98 s THR 77 Cb -0.09 -4.89 0.00 0.00 0.01 0.00 0.00 72.50 67.53 1p98 s THR 77 CO -0.01 -1.76 0.00 1.17 -0.69 0.00 0.00 174.62 173.32