#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 3.53 1.00 -5.12 0.00 -1.26 -5.06 121.76 114.85 1p98 s ALA 2 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 51.96 49.89 1p98 s ALA 2 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1p98 s ALA 2 CO 0.00 -0.16 0.00 1.33 0.00 0.00 0.00 175.76 176.93 1p98 n VAL 3 N -1.19 0.00 -4.26 0.00 0.24 -0.82 -4.84 118.33 107.45 1p98 n VAL 3 Ca -0.03 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.01 1p98 n VAL 3 Cb 0.65 -1.53 -0.07 0.00 -1.47 0.00 0.00 33.84 31.42 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 -0.51 2.06 0.13 3.34 2.01 -1.26 -2.98 115.64 118.43 1p98 s THR 4 Ca 0.00 -1.76 -0.06 0.00 0.31 0.00 0.00 61.69 60.18 1p98 s THR 4 Cb 0.00 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 1p98 s THR 4 CO 0.00 0.00 0.17 -0.63 -0.69 0.00 0.00 174.62 173.47 1p98 s ILE 5 N -2.67 0.11 -0.12 1.82 1.01 0.14 -3.82 121.20 117.67 1p98 s ILE 5 Ca 0.35 -1.51 -0.07 0.00 0.00 0.00 0.00 60.65 59.42 1p98 s ILE 5 Cb 0.04 -1.73 0.04 0.00 0.01 0.00 0.00 42.46 40.82 1p98 s ILE 5 CO 0.19 -0.50 0.28 -0.89 0.00 0.00 0.00 174.94 174.03 1p98 s THR 6 N -3.96 -0.03 0.24 2.92 2.01 -1.26 -1.78 115.64 113.79 1p98 s THR 6 Ca 0.15 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.26 1p98 s THR 6 Cb 0.05 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 72.09 1p98 s THR 6 CO -0.03 0.04 0.05 -0.76 -0.69 0.00 0.00 174.62 173.23 1p98 s LEU 7 N 0.98 1.88 0.00 4.42 2.01 -0.03 -1.28 118.68 126.67 1p98 s LEU 7 Ca -0.07 -1.30 0.00 0.00 0.01 0.00 0.00 54.13 52.77 1p98 s LEU 7 Cb -0.08 -0.08 -0.00 0.00 0.01 0.00 0.00 46.19 46.04 1p98 s LEU 7 CO -0.07 -0.65 -0.01 -0.75 1.01 0.00 0.00 176.35 175.89 1p98 s LYS 8 N -3.97 0.08 0.00 1.70 2.20 -0.28 -1.58 119.74 117.89 1p98 s LYS 8 Ca 0.33 -0.15 0.25 0.00 -0.36 0.00 0.00 55.97 56.03 1p98 s LYS 8 Cb 0.07 0.02 0.56 0.00 -1.51 0.00 0.00 37.83 36.98 1p98 s LYS 8 CO 0.11 -0.01 1.47 0.25 -0.36 0.00 0.00 175.35 176.80 1p98 n THR 9 N 2.71 0.12 0.00 3.43 -2.24 -0.42 -0.77 114.28 117.11 1p98 n THR 9 Ca -0.15 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1p98 n THR 9 Cb 0.59 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 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 0.88 0.00 0.10 3.22 4.77 -1.26 -4.61 117.00 120.10 1p98 n LEU 10 Ca 0.17 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.12 1p98 n LEU 10 Cb 0.49 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1p98 n LEU 10 CO 0.15 0.00 0.30 0.06 -1.33 0.00 0.00 177.39 176.57 1p98 h GLN 11 N 0.00 0.00 0.00 3.23 3.07 -1.98 -3.47 115.11 115.95 1p98 h GLN 11 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1p98 h GLN 11 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1p98 h GLN 11 CO 0.00 0.77 0.00 0.00 0.09 0.00 0.00 178.83 179.69 1p98 n GLN 12 N -3.30 0.00 -1.70 0.06 -0.00 -1.26 -5.10 117.38 106.08 1p98 n GLN 12 Ca 0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.00 56.74 1p98 n GLN 12 Cb 0.84 0.00 -0.05 0.00 -0.00 0.00 0.00 30.24 31.04 1p98 n GLN 12 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1p98 s GLN 13 N 0.00 2.06 -0.28 2.61 -0.21 -1.26 -4.82 119.66 117.76 1p98 s GLN 13 Ca 0.00 0.73 -0.02 0.00 0.02 0.00 0.00 55.36 56.09 1p98 s GLN 13 Cb 0.00 -4.69 0.04 0.00 1.00 0.00 0.00 33.01 29.35 1p98 s GLN 13 CO 0.00 -3.63 -0.03 0.99 -2.12 0.00 0.00 175.29 170.51 1p98 s THR 14 N 12.36 2.98 0.00 -0.19 2.01 -1.26 -1.30 115.64 130.24 1p98 s THR 14 Ca 0.87 -1.18 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1p98 s THR 14 Cb -0.13 -2.61 0.00 0.00 0.01 0.00 0.00 72.50 69.77 1p98 s THR 14 CO 0.15 0.05 0.00 2.22 -0.69 0.00 0.00 174.62 176.35 1p98 n PHE 15 N 4.66 0.00 -3.61 4.92 1.16 -0.61 -4.99 117.46 118.98 1p98 n PHE 15 Ca -0.15 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.29 1p98 n PHE 15 Cb 0.45 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.26 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 -1.16 0.98 0.12 3.97 -2.85 -1.26 -0.85 119.74 118.68 1p98 s LYS 16 Ca 0.00 -0.23 0.04 0.00 -1.00 0.00 0.00 55.97 54.77 1p98 s LYS 16 Cb 0.00 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 36.18 1p98 s LYS 16 CO 0.00 -0.34 -0.10 0.42 0.10 0.00 0.00 175.35 175.43 1p98 s ILE 17 N -2.30 1.00 -0.98 3.79 -1.09 -0.73 -4.93 121.20 115.96 1p98 s ILE 17 Ca -0.06 -1.85 -0.03 0.00 -2.23 0.00 0.00 60.65 56.48 1p98 s ILE 17 Cb -0.01 -1.61 0.28 0.00 -1.58 0.00 0.00 42.46 39.55 1p98 s ILE 17 CO -0.01 -0.68 1.21 -1.14 -1.23 0.00 0.00 174.94 173.10 1p98 n ARG 18 N 0.17 3.77 -3.61 2.79 0.63 -1.26 0.23 116.66 119.38 1p98 n ARG 18 Ca -0.13 -4.56 -0.23 0.00 -0.92 0.00 0.00 57.85 52.01 1p98 n ARG 18 Cb 0.59 -2.46 -0.01 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 1.53 0.80 -4.62 -0.14 0.00 -1.16 -4.87 117.12 108.66 1p98 n MET 19 Ca 0.26 -3.00 -0.34 0.00 0.00 0.00 0.00 57.70 54.62 1p98 n MET 19 Cb 0.36 0.38 -0.11 0.00 0.00 0.00 0.00 33.22 33.85 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 -3.91 2.72 0.00 3.17 2.12 -1.26 -1.95 118.70 119.59 1p98 s GLU 20 Ca 0.24 -0.57 0.09 0.00 0.36 0.00 0.00 54.97 55.09 1p98 s GLU 20 Cb -0.02 -2.57 0.43 0.00 0.26 0.00 0.00 34.13 32.22 1p98 s GLU 20 CO 0.15 0.66 1.17 -2.30 -0.54 0.00 0.00 175.26 174.40 1p98 n PRO 21 N 2.16 0.11 -0.02 4.30 -0.02 -1.26 -2.15 135.00 138.13 1p98 n PRO 21 Ca -0.18 0.22 0.02 0.00 -2.02 0.00 0.00 63.50 61.55 1p98 n PRO 21 Cb 0.53 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.38 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 -1.31 0.30 -4.67 2.55 9.92 -1.26 -0.24 116.55 121.84 1p98 n ASP 22 Ca 0.04 0.13 -0.31 0.00 -0.53 0.00 0.00 54.79 54.12 1p98 n ASP 22 Cb 0.07 1.08 0.16 0.00 -0.64 0.00 0.00 41.12 41.80 1p98 n ASP 22 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1p98 s GLU 23 N -3.05 1.04 -0.09 -1.24 0.41 -0.91 -4.67 118.70 110.20 1p98 s GLU 23 Ca -0.07 1.49 0.04 0.00 -0.41 0.00 0.00 54.97 56.02 1p98 s GLU 23 Cb 0.10 -1.73 0.24 0.00 -1.78 0.00 0.00 34.13 30.96 1p98 s GLU 23 CO 0.85 -2.60 0.96 0.25 -0.49 0.00 0.00 175.26 174.23 1p98 n THR 24 N -4.21 1.01 0.00 3.63 -2.24 -1.26 -1.61 114.28 109.60 1p98 n THR 24 Ca 0.11 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1p98 n THR 24 Cb 0.52 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 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 0.15 0.00 -0.29 2.28 0.31 -1.20 -2.84 118.33 116.74 1p98 n VAL 25 Ca 0.10 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.50 1p98 n VAL 25 Cb 0.60 0.00 0.21 0.00 -0.91 0.00 0.00 33.84 33.74 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 0.17 0.58 -0.63 5.55 3.64 -1.54 0.20 116.57 124.55 1p98 h LYS 26 Ca 0.00 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1p98 h LYS 26 Cb 0.00 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.63 1p98 h LYS 26 CO 0.00 0.39 0.32 0.28 -2.27 0.00 0.00 179.45 178.16 1p98 h VAL 27 N 0.60 0.90 -1.01 2.00 2.07 -1.86 -1.48 116.25 117.47 1p98 h VAL 27 Ca 0.44 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.84 1p98 h VAL 27 Cb 0.61 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 1p98 h VAL 27 CO -0.36 0.10 0.65 0.25 0.02 0.00 0.00 177.57 178.24 1p98 h LEU 28 N 0.57 1.04 -0.87 2.57 5.85 -1.03 0.41 115.31 123.84 1p98 h LEU 28 Ca 0.30 0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.11 1p98 h LEU 28 Cb 0.25 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 1p98 h LEU 28 CO -0.22 0.65 0.53 0.11 -0.34 0.00 0.00 178.44 179.17 1p98 h LYS 29 N 1.17 0.89 -0.72 1.25 1.79 -0.22 0.46 116.57 121.20 1p98 h LYS 29 Ca 0.44 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.86 1p98 h LYS 29 Cb 0.19 -0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 30.60 1p98 h LYS 29 CO -0.18 0.59 0.45 0.93 -1.08 0.00 0.00 179.45 180.16 1p98 h GLU 30 N 0.92 0.96 0.20 3.15 5.08 -0.41 0.17 114.58 124.65 1p98 h GLU 30 Ca 0.40 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 1p98 h GLU 30 Cb 0.28 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1p98 h GLU 30 CO -0.21 0.66 -0.09 0.87 -1.00 0.00 0.00 179.01 179.24 1p98 h LYS 31 N 0.98 -0.25 -0.87 2.33 6.56 -0.75 -0.58 116.57 123.99 1p98 h LYS 31 Ca 0.26 0.02 0.12 0.00 -1.06 0.00 0.00 60.65 59.99 1p98 h LYS 31 Cb -0.06 0.06 -0.08 0.00 -0.57 0.00 0.00 32.23 31.57 1p98 h LYS 31 CO -0.05 -0.01 0.49 0.82 -2.06 0.00 0.00 179.45 178.64 1p98 h ILE 32 N -1.02 0.84 -0.12 1.86 2.04 -0.99 0.21 117.51 120.34 1p98 h ILE 32 Ca -0.03 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.45 1p98 h ILE 32 Cb 0.36 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1p98 h ILE 32 CO 0.04 0.14 -0.44 -0.08 0.00 0.00 0.00 178.15 177.81 1p98 h GLU 33 N 0.77 0.28 0.00 2.37 4.22 -1.06 -1.42 114.58 119.74 1p98 h GLU 33 Ca 0.45 -0.14 -0.05 0.00 0.08 0.00 0.00 59.36 59.69 1p98 h GLU 33 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1p98 h GLU 33 CO -0.30 0.67 -0.23 0.00 -2.18 0.00 0.00 179.01 176.98 1p98 h ALA 34 N 1.31 1.09 -0.00 2.92 0.00 0.76 0.63 119.26 125.96 1p98 h ALA 34 Ca 0.02 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1p98 h ALA 34 Cb 0.88 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1p98 h ALA 34 CO 0.07 0.29 -0.45 1.49 0.00 0.00 0.00 179.25 180.65 1p98 h GLU 35 N 0.00 0.31 0.00 0.00 4.81 -0.12 -3.42 114.58 116.16 1p98 h GLU 35 Ca -0.00 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1p98 h GLU 35 Cb 0.67 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1p98 h GLU 35 CO 0.03 1.03 -0.36 1.17 -0.73 0.00 0.00 179.01 180.14 1p98 n LYS 36 N -4.34 0.19 0.00 1.92 0.00 -0.59 -5.10 118.16 110.24 1p98 n LYS 36 Ca -0.10 0.08 0.00 0.00 0.00 0.00 0.00 58.31 58.29 1p98 n LYS 36 Cb 0.60 -0.83 0.00 0.00 0.00 0.00 0.00 35.03 34.80 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 1.51 0.96 0.00 3.14 0.00 0.22 -4.78 105.19 106.24 1p98 n GLY 37 Ca -0.05 -1.79 0.10 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.79 0.08 -0.03 1.61 0.63 -1.26 -1.31 116.66 114.59 1p98 n ARG 38 Ca 0.00 0.13 -0.16 0.00 -0.92 0.00 0.00 57.85 56.91 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 -1.44 1.48 -0.05 6.15 8.00 -1.26 -3.60 116.55 125.83 1p98 n ASP 39 Ca 0.06 0.22 -0.00 0.00 0.71 0.00 0.00 54.79 55.78 1p98 n ASP 39 Cb 0.22 -0.37 -0.00 0.00 -0.02 0.00 0.00 41.12 40.95 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 0.47 0.00 -2.54 2.24 0.00 -1.82 -3.44 119.26 114.18 1p98 h ALA 40 Ca -0.40 -0.05 -0.59 0.00 0.00 0.00 0.00 54.91 53.87 1p98 h ALA 40 Cb 2.03 0.04 -0.39 0.00 0.00 0.00 0.00 17.79 19.48 1p98 h ALA 40 CO 0.06 0.04 -0.89 -0.06 0.00 0.00 0.00 179.25 178.41 1p98 s PHE 41 N -1.55 1.30 -0.03 0.00 0.08 -0.43 -4.90 117.98 112.46 1p98 s PHE 41 Ca -0.01 -2.26 -0.30 0.00 0.12 0.00 0.00 56.93 54.48 1p98 s PHE 41 Cb 0.00 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.24 1p98 s PHE 41 CO 0.02 -0.80 1.31 -1.25 -0.10 0.00 0.00 175.22 174.40 1p98 s PRO 42 N 0.19 4.31 0.55 0.24 0.04 -1.24 -4.14 135.00 134.95 1p98 s PRO 42 Ca 0.27 1.83 0.49 0.00 0.04 0.00 0.00 61.00 63.64 1p98 s PRO 42 Cb -0.06 -3.57 1.73 0.00 0.04 0.00 0.00 34.50 32.64 1p98 s PRO 42 CO -0.13 -0.52 1.57 -0.39 0.04 0.00 0.00 177.00 177.58 1p98 h VAL 43 N 4.96 0.01 0.23 -0.36 -1.51 -1.90 0.14 116.25 117.82 1p98 h VAL 43 Ca -0.36 -0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.10 1p98 h VAL 43 Cb 1.17 0.01 -0.00 0.00 -2.13 0.00 0.00 31.29 30.34 1p98 h VAL 43 CO 0.89 0.00 -0.15 0.00 -1.23 0.00 0.00 177.57 177.09 1p98 h ALA 44 N 1.06 -1.00 -0.27 5.19 0.00 -1.97 -3.18 119.26 119.09 1p98 h ALA 44 Ca 0.94 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.77 1p98 h ALA 44 Cb 3.71 0.26 0.00 0.00 0.00 0.00 0.00 17.79 21.77 1p98 h ALA 44 CO -0.05 -0.99 0.00 0.41 0.00 0.00 0.00 179.25 178.63 1p98 n GLY 45 N -1.18 0.42 3.56 0.00 0.00 -0.22 -4.81 105.19 102.94 1p98 n GLY 45 Ca -0.04 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.65 2.40 0.01 1.61 -0.21 0.32 -4.29 119.66 117.86 1p98 s GLN 46 Ca 0.26 0.22 -0.02 0.00 0.02 0.00 0.00 55.36 55.84 1p98 s GLN 46 Cb 0.14 -4.79 -0.04 0.00 1.00 0.00 0.00 33.01 29.32 1p98 s GLN 46 CO 0.19 -3.34 0.19 0.15 -2.12 0.00 0.00 175.29 170.37 1p98 s LYS 47 N 7.39 3.44 0.01 2.91 3.01 -0.11 -4.64 119.74 131.75 1p98 s LYS 47 Ca 0.75 -0.35 0.05 0.00 -1.01 0.00 0.00 55.97 55.40 1p98 s LYS 47 Cb -0.10 -3.08 -0.02 0.00 -1.01 0.00 0.00 37.83 33.62 1p98 s LYS 47 CO 0.09 0.65 -0.16 -0.51 0.51 0.00 0.00 175.35 175.93 1p98 s LEU 48 N -2.12 2.08 -0.22 3.17 1.02 -0.91 -0.16 118.68 121.54 1p98 s LEU 48 Ca 0.30 -0.35 0.01 0.00 0.02 0.00 0.00 54.13 54.10 1p98 s LEU 48 Cb -0.13 -0.80 0.05 0.00 0.02 0.00 0.00 46.19 45.33 1p98 s LEU 48 CO 0.22 0.16 -0.10 -0.63 0.02 0.00 0.00 176.35 176.02 1p98 s ILE 49 N -0.53 1.72 -0.20 -0.59 -1.09 0.01 -0.77 121.20 119.74 1p98 s ILE 49 Ca 0.05 -1.16 0.01 0.00 -2.23 0.00 0.00 60.65 57.33 1p98 s ILE 49 Cb -0.07 -1.83 0.03 0.00 -1.58 0.00 0.00 42.46 39.01 1p98 s ILE 49 CO 0.00 0.09 -0.17 -0.47 -1.23 0.00 0.00 174.94 173.16 1p98 s TYR 50 N 1.34 2.88 -1.14 3.97 5.04 0.01 -1.66 117.35 127.80 1p98 s TYR 50 Ca -0.03 -1.75 -0.02 0.00 -2.44 0.00 0.00 57.07 52.83 1p98 s TYR 50 Cb -0.17 -1.93 0.00 0.00 0.35 0.00 0.00 41.96 40.21 1p98 s TYR 50 CO -0.07 -0.81 0.28 0.00 -1.34 0.00 0.00 175.55 173.60 1p98 n ALA 51 N 4.59 -0.59 0.00 3.97 0.00 -1.26 -1.88 120.51 125.35 1p98 n ALA 51 Ca -0.19 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1p98 n ALA 51 Cb 0.48 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 -1.20 2.71 3.94 0.00 0.00 -1.26 -5.01 105.19 104.37 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 -0.11 2.95 0.17 1.61 -0.14 -0.78 -5.06 119.74 118.38 1p98 s LYS 53 Ca 0.00 -0.35 0.08 0.00 -1.36 0.00 0.00 55.97 54.34 1p98 s LYS 53 Cb 0.00 -2.45 -0.04 0.00 -1.68 0.00 0.00 37.83 33.66 1p98 s LYS 53 CO 0.00 -0.47 -0.09 0.42 -0.76 0.00 0.00 175.35 174.46 1p98 s ILE 54 N -2.73 3.27 -0.08 2.17 -1.09 -1.26 -0.81 121.20 120.67 1p98 s ILE 54 Ca 0.51 -1.58 -0.07 0.00 -2.23 0.00 0.00 60.65 57.28 1p98 s ILE 54 Cb -0.10 -2.61 0.02 0.00 -1.58 0.00 0.00 42.46 38.19 1p98 s ILE 54 CO 0.40 -0.08 0.20 -1.48 -1.23 0.00 0.00 174.94 172.76 1p98 s LEU 55 N -2.76 1.16 0.47 2.97 2.34 0.05 -4.92 118.68 117.99 1p98 s LEU 55 Ca 0.25 0.41 0.07 0.00 0.06 0.00 0.00 54.13 54.91 1p98 s LEU 55 Cb -0.09 0.68 -0.00 0.00 -0.56 0.00 0.00 46.19 46.21 1p98 s LEU 55 CO 0.15 -0.08 0.33 -0.55 -1.06 0.00 0.00 176.35 175.14 1p98 s SER 56 N 0.23 4.69 0.38 1.48 0.15 -1.26 -2.14 113.70 117.22 1p98 s SER 56 Ca -0.01 -1.06 0.26 0.00 0.70 0.00 0.00 55.95 55.83 1p98 s SER 56 Cb -0.02 -0.11 1.40 0.00 -1.71 0.00 0.00 66.02 65.57 1p98 s SER 56 CO -0.01 -0.82 1.79 -2.24 1.20 0.00 0.00 173.24 173.17 1p98 h ASP 57 N 1.02 0.00 -0.00 5.45 2.03 -1.82 -1.75 116.42 121.35 1p98 h ASP 57 Ca -0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.90 1p98 h ASP 57 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1p98 h ASP 57 CO 0.61 0.00 -0.84 0.47 -1.03 0.00 0.00 179.24 178.45 1p98 n ASP 58 N -2.41 1.30 -4.90 4.15 9.92 -1.19 -1.54 116.55 121.88 1p98 n ASP 58 Ca -0.02 -1.15 -0.30 0.00 -0.53 0.00 0.00 54.79 52.79 1p98 n ASP 58 Cb 0.05 0.85 -0.04 0.00 -0.64 0.00 0.00 41.12 41.33 1p98 n ASP 58 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1p98 s VAL 59 N -2.83 5.08 0.24 2.53 -7.23 -0.66 -4.88 120.40 112.65 1p98 s VAL 59 Ca 0.11 0.07 -0.30 0.00 -1.81 0.00 0.00 61.98 60.05 1p98 s VAL 59 Cb 0.17 -3.67 -0.09 0.00 0.56 0.00 0.00 36.38 33.35 1p98 s VAL 59 CO 0.78 -0.12 1.00 -2.16 -0.31 0.00 0.00 175.10 174.28 1p98 s PRO 60 N -3.06 4.77 0.35 4.82 0.05 -1.26 -3.28 135.00 137.40 1p98 s PRO 60 Ca 0.43 1.59 0.04 0.00 0.05 0.00 0.00 61.00 63.11 1p98 s PRO 60 Cb -0.11 -3.26 0.66 0.00 0.05 0.00 0.00 34.50 31.83 1p98 s PRO 60 CO 0.26 0.38 1.95 0.82 0.05 0.00 0.00 177.00 180.46 1p98 h ILE 61 N 3.25 1.17 -0.24 0.56 1.08 -1.40 -1.98 117.51 119.94 1p98 h ILE 61 Ca -0.45 -0.50 -0.04 0.00 -0.39 0.00 0.00 64.86 63.48 1p98 h ILE 61 Cb 1.20 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 35.56 1p98 h ILE 61 CO 0.68 0.20 -0.01 -0.09 -0.69 0.00 0.00 178.15 178.24 1p98 h ARG 62 N 0.64 0.36 -0.06 2.37 2.43 -0.86 -0.64 114.38 118.62 1p98 h ARG 62 Ca 0.16 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1p98 h ARG 62 Cb 0.11 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1p98 h ARG 62 CO -0.02 0.40 0.04 0.22 -1.51 0.00 0.00 179.97 179.10 1p98 h ASP 63 N 0.35 0.06 -0.33 -3.80 3.58 -1.64 -1.45 116.42 113.19 1p98 h ASP 63 Ca 0.08 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1p98 h ASP 63 Cb 0.26 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1p98 h ASP 63 CO 0.01 0.04 0.00 -1.22 -2.88 0.00 0.00 179.24 175.19 1p98 n TYR 64 N -4.53 0.92 -4.04 0.28 4.02 -0.54 -5.00 117.16 108.27 1p98 n TYR 64 Ca -0.02 -0.74 -0.27 0.00 -0.01 0.00 0.00 57.90 56.86 1p98 n TYR 64 Cb 0.09 -0.24 -0.08 0.00 -0.02 0.00 0.00 39.34 39.09 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 -0.03 -0.93 -2.55 -0.72 0.63 -0.36 -4.78 116.66 107.92 1p98 n ARG 65 Ca 0.19 0.08 -0.41 0.00 -0.92 0.00 0.00 57.85 56.79 1p98 n ARG 65 Cb 0.78 -3.12 -0.03 0.00 0.45 0.00 0.00 32.46 30.54 1p98 n ARG 65 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1p98 s ILE 66 N -4.05 3.75 0.26 5.15 1.01 -1.02 -4.97 121.20 121.34 1p98 s ILE 66 Ca 0.07 0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.94 1p98 s ILE 66 Cb -0.04 -4.94 -0.04 0.00 0.01 0.00 0.00 42.46 37.45 1p98 s ILE 66 CO 0.85 -1.87 0.45 1.51 0.00 0.00 0.00 174.94 175.87 1p98 s ASP 67 N 3.95 6.35 0.22 3.58 1.47 -1.26 -4.91 116.67 126.06 1p98 s ASP 67 Ca 0.37 0.37 -0.09 0.00 1.18 0.00 0.00 52.55 54.38 1p98 s ASP 67 Cb -0.07 -1.99 0.18 0.00 -0.34 0.00 0.00 42.92 40.69 1p98 s ASP 67 CO 0.11 -0.14 1.85 -0.08 0.68 0.00 0.00 175.17 177.59 1p98 h GLU 68 N 1.41 1.12 -0.93 2.11 4.57 -1.92 -2.56 114.58 118.37 1p98 h GLU 68 Ca -0.49 -0.11 0.26 0.00 -1.18 0.00 0.00 59.36 57.84 1p98 h GLU 68 Cb 1.21 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 29.53 1p98 h GLU 68 CO 0.64 0.80 0.66 -0.22 -1.18 0.00 0.00 179.01 179.71 1p98 h LYS 69 N 1.12 0.04 -6.17 1.92 3.11 -1.95 -3.40 116.57 111.24 1p98 h LYS 69 Ca 0.29 -0.00 -0.53 0.00 -2.81 0.00 0.00 60.65 57.60 1p98 h LYS 69 Cb -0.02 -0.01 -0.07 0.00 -1.00 0.00 0.00 32.23 31.13 1p98 h LYS 69 CO -0.05 0.02 -0.55 1.21 -2.81 0.00 0.00 179.45 177.27 1p98 s ASN 70 N -5.58 4.94 -0.01 4.20 2.47 -0.97 -5.13 114.94 114.87 1p98 s ASN 70 Ca -0.05 -0.56 0.04 0.00 0.42 0.00 0.00 52.86 52.71 1p98 s ASN 70 Cb 0.22 -0.97 -0.01 0.00 -1.45 0.00 0.00 41.25 39.04 1p98 s ASN 70 CO 0.78 -0.15 -0.14 0.72 -3.72 0.00 0.00 177.10 174.59 1p98 s PHE 71 N -2.30 1.23 0.60 0.43 -0.12 -1.26 -4.24 117.98 112.32 1p98 s PHE 71 Ca 0.35 -0.24 -0.04 0.00 -0.05 0.00 0.00 56.93 56.94 1p98 s PHE 71 Cb -0.05 -0.79 0.03 0.00 -0.63 0.00 0.00 43.02 41.58 1p98 s PHE 71 CO 0.23 -0.01 0.89 0.54 -0.05 0.00 0.00 175.22 176.82 1p98 s VAL 72 N -0.38 3.17 -0.41 -2.49 0.11 -0.40 -4.90 120.40 115.10 1p98 s VAL 72 Ca 0.05 -0.22 -0.13 0.00 -2.93 0.00 0.00 61.98 58.75 1p98 s VAL 72 Cb -0.06 -3.27 0.05 0.00 -1.53 0.00 0.00 36.38 31.57 1p98 s VAL 72 CO -0.00 -0.26 0.28 -0.69 -3.33 0.00 0.00 175.10 171.10 1p98 s VAL 73 N -2.98 4.82 -1.14 2.04 1.01 -0.66 -1.13 120.40 122.36 1p98 s VAL 73 Ca 0.55 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 61.35 1p98 s VAL 73 Cb -0.10 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1p98 s VAL 73 CO 0.43 -0.39 1.72 0.54 0.00 0.00 0.00 175.10 177.40 1p98 s VAL 74 N 1.58 3.86 -0.09 2.92 0.11 0.05 -0.81 120.40 128.00 1p98 s VAL 74 Ca 0.03 -1.17 -0.13 0.00 -2.93 0.00 0.00 61.98 57.78 1p98 s VAL 74 Cb -0.21 -4.87 -0.05 0.00 -1.53 0.00 0.00 36.38 29.72 1p98 s VAL 74 CO 0.07 -1.66 0.32 -0.32 -3.33 0.00 0.00 175.10 170.18 1p98 s MET 75 N 5.26 4.01 -0.01 1.54 0.00 0.77 -4.46 119.30 126.41 1p98 s MET 75 Ca 0.56 0.19 -0.01 0.00 0.00 0.00 0.00 55.69 56.43 1p98 s MET 75 Cb 0.00 -3.32 -0.00 0.00 0.00 0.00 0.00 34.83 31.52 1p98 s MET 75 CO 0.02 0.48 0.03 0.08 0.00 0.00 0.00 175.02 175.63 1p98 s VAL 76 N -0.31 0.03 -0.04 10.11 1.01 -1.26 -0.93 120.40 129.01 1p98 s VAL 76 Ca 0.19 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1p98 s VAL 76 Cb -0.14 -0.13 -0.07 0.00 0.00 0.00 0.00 36.38 36.04 1p98 s VAL 76 CO 0.08 -0.14 1.78 0.42 0.00 0.00 0.00 175.10 177.24 1p98 s THR 77 N -0.41 3.37 0.00 3.92 -4.23 -1.26 -5.05 115.64 111.98 1p98 s THR 77 Ca -0.05 0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1p98 s THR 77 Cb -0.03 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.51 1p98 s THR 77 CO -0.00 -0.05 0.00 1.17 -0.54 0.00 0.00 174.62 175.20