#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p98 n ALA 2 N 0.00 -2.51 -2.19 -5.12 0.00 -1.26 -4.91 120.51 104.52 1p98 n ALA 2 Ca 0.00 0.28 -0.21 0.00 0.00 0.00 0.00 53.44 53.51 1p98 n ALA 2 Cb 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 1p98 n ALA 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1p98 s VAL 3 N -1.46 2.37 -0.68 0.00 -7.23 -0.64 -5.00 120.40 107.76 1p98 s VAL 3 Ca 0.00 -1.26 -0.07 0.00 -1.81 0.00 0.00 61.98 58.84 1p98 s VAL 3 Cb 0.00 -2.63 0.18 0.00 0.56 0.00 0.00 36.38 34.49 1p98 s VAL 3 CO 0.00 0.00 0.55 -0.89 -0.31 0.00 0.00 175.10 174.45 1p98 s THR 4 N -2.56 4.43 0.95 5.32 2.01 -1.26 -2.86 115.64 121.67 1p98 s THR 4 Ca 0.49 -2.68 -0.13 0.00 0.31 0.00 0.00 61.69 59.68 1p98 s THR 4 Cb -0.04 -3.83 0.03 0.00 0.01 0.00 0.00 72.50 68.67 1p98 s THR 4 CO 0.29 -0.92 0.37 -0.38 -0.69 0.00 0.00 174.62 173.29 1p98 n ILE 5 N 3.78 0.00 -3.77 1.82 5.41 0.13 -4.30 119.36 122.43 1p98 n ILE 5 Ca 0.08 -0.20 -0.23 0.00 1.00 0.00 0.00 62.75 63.41 1p98 n ILE 5 Cb 0.41 -0.61 -0.18 0.00 -0.71 0.00 0.00 39.64 38.56 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 -2.39 0.40 0.44 1.39 2.01 -1.26 -1.53 115.64 114.70 1p98 s THR 6 Ca 0.56 0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.72 1p98 s THR 6 Cb -0.21 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.69 1p98 s THR 6 CO 0.68 0.26 0.07 -0.76 -0.69 0.00 0.00 174.62 174.18 1p98 s LEU 7 N 1.96 2.81 -0.27 4.42 2.01 0.56 -0.88 118.68 129.30 1p98 s LEU 7 Ca 0.05 -1.35 -0.19 0.00 0.01 0.00 0.00 54.13 52.65 1p98 s LEU 7 Cb -0.12 -1.01 0.08 0.00 0.01 0.00 0.00 46.19 45.14 1p98 s LEU 7 CO -0.05 -0.59 0.69 -0.75 1.01 0.00 0.00 176.35 176.66 1p98 s LYS 8 N -3.82 0.74 -1.30 1.70 2.20 -0.03 -1.90 119.74 117.33 1p98 s LYS 8 Ca 0.31 1.14 -0.09 0.00 -0.36 0.00 0.00 55.97 56.96 1p98 s LYS 8 Cb 0.06 0.23 0.15 0.00 -1.51 0.00 0.00 37.83 36.76 1p98 s LYS 8 CO 0.16 -0.13 1.97 0.25 -0.36 0.00 0.00 175.35 177.24 1p98 n THR 9 N 3.77 4.37 0.00 3.43 -2.24 -0.31 -0.84 114.28 122.46 1p98 n THR 9 Ca -0.18 -4.26 0.00 0.00 -2.27 0.00 0.00 64.05 57.34 1p98 n THR 9 Cb 0.58 -2.35 0.00 0.00 -2.10 0.00 0.00 70.33 66.45 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 3.81 0.00 0.00 3.22 7.99 -1.26 -3.19 117.00 127.57 1p98 n LEU 10 Ca 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.43 1p98 n LEU 10 Cb 0.35 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.66 1p98 n LEU 10 CO 0.81 0.00 0.00 1.67 -1.51 0.00 0.00 177.39 178.36 1p98 n GLN 11 N 0.00 0.00 -0.08 3.23 7.27 -1.26 -5.05 117.38 121.48 1p98 n GLN 11 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 1p98 n GLN 11 Cb 0.00 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 1p98 n GLN 11 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1p98 n GLN 12 N 0.00 -0.09 -4.19 3.69 6.02 -1.19 -4.53 117.38 117.09 1p98 n GLN 12 Ca 0.00 1.02 -0.28 0.00 -0.01 0.00 0.00 57.00 57.73 1p98 n GLN 12 Cb 0.00 -1.52 -0.08 0.00 1.02 0.00 0.00 30.24 29.66 1p98 n GLN 12 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1p98 s GLN 13 N -3.54 2.40 -0.11 -1.09 -1.52 -1.26 -5.01 119.66 109.54 1p98 s GLN 13 Ca -0.02 -1.02 -0.05 0.00 -1.95 0.00 0.00 55.36 52.32 1p98 s GLN 13 Cb 0.02 -2.40 0.06 0.00 -0.22 0.00 0.00 33.01 30.47 1p98 s GLN 13 CO 0.12 0.48 0.24 0.99 -0.25 0.00 0.00 175.29 176.87 1p98 s THR 14 N -1.55 -0.27 0.07 -0.19 2.01 -1.26 -1.16 115.64 113.30 1p98 s THR 14 Ca 0.26 0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.53 1p98 s THR 14 Cb -0.10 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 1p98 s THR 14 CO 0.18 0.10 0.05 2.22 -0.69 0.00 0.00 174.62 176.48 1p98 n PHE 15 N 4.97 -0.12 -3.76 4.92 1.16 -0.80 -5.01 117.46 118.81 1p98 n PHE 15 Ca -0.12 -0.57 -0.13 0.00 -1.87 0.00 0.00 57.45 54.76 1p98 n PHE 15 Cb 0.51 0.05 -0.08 0.00 -1.61 0.00 0.00 39.48 38.34 1p98 n PHE 15 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 1p98 s LYS 16 N -2.29 0.70 0.21 3.97 1.02 -1.26 -0.32 119.74 121.77 1p98 s LYS 16 Ca 0.07 -0.26 0.08 0.00 0.02 0.00 0.00 55.97 55.88 1p98 s LYS 16 Cb 0.00 0.31 -0.05 0.00 -0.52 0.00 0.00 37.83 37.57 1p98 s LYS 16 CO 0.05 -0.20 -0.15 0.42 -0.92 0.00 0.00 175.35 174.56 1p98 s ILE 17 N -1.60 1.76 -0.98 2.17 -1.09 -0.58 -4.94 121.20 115.94 1p98 s ILE 17 Ca -0.12 -2.22 -0.01 0.00 -2.23 0.00 0.00 60.65 56.07 1p98 s ILE 17 Cb -0.04 -2.05 0.31 0.00 -1.58 0.00 0.00 42.46 39.09 1p98 s ILE 17 CO 0.03 -0.59 1.49 -1.14 -1.23 0.00 0.00 174.94 173.50 1p98 n ARG 18 N -0.39 4.54 -2.45 2.79 0.63 -1.26 0.22 116.66 120.74 1p98 n ARG 18 Ca -0.08 -4.64 -0.12 0.00 -0.92 0.00 0.00 57.85 52.09 1p98 n ARG 18 Cb 0.60 -2.45 0.01 0.00 0.45 0.00 0.00 32.46 31.08 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 0.65 0.97 -5.24 -0.14 0.00 -1.13 -4.89 117.12 107.34 1p98 n MET 19 Ca 0.34 -1.72 -0.31 0.00 0.00 0.00 0.00 57.70 56.01 1p98 n MET 19 Cb 0.32 0.07 -0.16 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 -3.24 2.19 0.12 3.17 2.12 -1.26 -1.61 118.70 120.18 1p98 s GLU 20 Ca 0.22 -0.89 0.08 0.00 0.36 0.00 0.00 54.97 54.73 1p98 s GLU 20 Cb -0.02 -2.10 0.42 0.00 0.26 0.00 0.00 34.13 32.69 1p98 s GLU 20 CO 0.14 0.57 1.23 -2.30 -0.54 0.00 0.00 175.26 174.35 1p98 n PRO 21 N 2.43 0.05 0.02 4.30 -0.02 -1.26 -1.81 135.00 138.71 1p98 n PRO 21 Ca -0.16 0.54 -0.08 0.00 -2.02 0.00 0.00 63.50 61.78 1p98 n PRO 21 Cb 0.51 -1.68 -0.13 0.00 -0.02 0.00 0.00 33.50 32.18 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 0.01 -4.13 2.55 3.32 -1.95 0.35 116.42 116.57 1p98 h ASP 22 Ca 0.00 -0.02 -0.51 0.00 0.02 0.00 0.00 57.03 56.52 1p98 h ASP 22 Cb 0.03 -0.00 0.20 0.00 0.22 0.00 0.00 39.33 39.78 1p98 h ASP 22 CO 0.00 1.02 0.16 -0.62 -1.72 0.00 0.00 179.24 178.07 1p98 n GLU 23 N -3.20 -0.64 -0.48 3.56 -0.58 -0.75 -4.69 120.64 113.87 1p98 n GLU 23 Ca -0.09 -0.12 -0.02 0.00 -0.42 0.00 0.00 57.16 56.51 1p98 n GLU 23 Cb 1.00 -2.34 0.16 0.00 -0.57 0.00 0.00 31.44 29.69 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 -4.30 1.56 0.00 2.62 -2.24 -1.26 -1.64 114.28 109.02 1p98 n THR 24 Ca 0.11 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 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 0.11 0.00 -0.35 2.28 0.31 -1.19 -3.02 118.33 116.46 1p98 n VAL 25 Ca 0.18 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.58 1p98 n VAL 25 Cb 0.82 0.00 0.23 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 0.00 0.94 -0.92 5.55 3.64 -1.68 0.74 116.57 124.84 1p98 h LYS 26 Ca 0.00 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1p98 h LYS 26 Cb 0.00 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 31.56 1p98 h LYS 26 CO 0.00 0.62 0.61 -0.24 -2.27 0.00 0.00 179.45 178.17 1p98 h VAL 27 N 0.97 1.23 -0.91 2.00 3.04 -1.86 -1.59 116.25 119.13 1p98 h VAL 27 Ca 0.48 -0.43 -0.01 0.00 -1.01 0.00 0.00 66.70 65.73 1p98 h VAL 27 Cb 0.47 -0.12 -0.04 0.00 -2.01 0.00 0.00 31.29 29.59 1p98 h VAL 27 CO -0.26 0.23 0.51 0.25 -1.01 0.00 0.00 177.57 177.28 1p98 h LEU 28 N 1.24 1.12 -0.94 3.16 5.85 -1.28 -0.36 115.31 124.11 1p98 h LEU 28 Ca 0.34 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 59.05 1p98 h LEU 28 Cb -0.14 -0.29 -0.07 0.00 0.37 0.00 0.00 40.66 40.53 1p98 h LEU 28 CO -0.07 0.89 0.59 0.11 -0.34 0.00 0.00 178.44 179.62 1p98 h LYS 29 N 1.27 0.98 -0.99 1.25 1.57 -0.32 0.13 116.57 120.45 1p98 h LYS 29 Ca 0.32 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.05 1p98 h LYS 29 Cb 0.01 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.05 1p98 h LYS 29 CO -0.05 0.65 0.66 0.93 -0.57 0.00 0.00 179.45 181.06 1p98 h GLU 30 N 1.01 1.30 0.27 3.15 5.08 -0.49 -0.06 114.58 124.84 1p98 h GLU 30 Ca 0.44 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.71 1p98 h GLU 30 Cb 0.31 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1p98 h GLU 30 CO -0.22 0.86 -0.13 0.87 -1.00 0.00 0.00 179.01 179.39 1p98 h LYS 31 N 1.34 -0.35 -0.98 2.33 6.56 -0.73 -0.95 116.57 123.80 1p98 h LYS 31 Ca 0.37 0.02 0.12 0.00 -1.06 0.00 0.00 60.65 60.10 1p98 h LYS 31 Cb -0.15 0.08 -0.08 0.00 -0.57 0.00 0.00 32.23 31.51 1p98 h LYS 31 CO -0.08 -0.04 0.62 0.82 -2.06 0.00 0.00 179.45 178.71 1p98 h ILE 32 N -0.98 0.90 -0.01 1.86 2.04 -1.05 0.15 117.51 120.42 1p98 h ILE 32 Ca -0.04 -0.32 -0.11 0.00 1.00 0.00 0.00 64.86 65.40 1p98 h ILE 32 Cb 0.47 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1p98 h ILE 32 CO 0.06 0.17 -0.51 -0.08 0.00 0.00 0.00 178.15 177.78 1p98 h GLU 33 N 0.93 0.03 0.00 2.37 4.81 -1.05 -1.31 114.58 120.36 1p98 h GLU 33 Ca 0.48 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.60 1p98 h GLU 33 Cb 0.54 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1p98 h GLU 33 CO -0.25 0.54 -0.47 0.00 -0.73 0.00 0.00 179.01 178.09 1p98 h ALA 34 N 1.46 1.07 -0.04 2.92 0.00 0.64 0.55 119.26 125.87 1p98 h ALA 34 Ca -0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1p98 h ALA 34 Cb 0.92 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1p98 h ALA 34 CO 0.07 0.59 -0.21 1.49 0.00 0.00 0.00 179.25 181.20 1p98 h GLU 35 N 0.00 0.21 0.00 0.00 4.81 -0.50 -3.42 114.58 115.69 1p98 h GLU 35 Ca -0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1p98 h GLU 35 Cb 0.92 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1p98 h GLU 35 CO 0.06 0.83 -0.44 1.17 -0.73 0.00 0.00 179.01 179.90 1p98 n LYS 36 N -4.55 0.25 0.00 1.92 3.00 -0.54 -5.11 118.16 113.14 1p98 n LYS 36 Ca -0.09 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 1p98 n LYS 36 Cb 0.44 -1.02 0.00 0.00 0.00 0.00 0.00 35.03 34.45 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 1.53 1.27 0.00 3.14 0.00 0.19 -4.72 105.19 106.61 1p98 n GLY 37 Ca -0.06 -1.91 0.09 0.00 0.00 0.00 0.00 46.02 44.15 1p98 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p98 n ARG 38 N -1.97 0.10 -0.03 1.61 1.74 -1.26 -1.36 116.66 115.48 1p98 n ARG 38 Ca 0.00 0.14 -0.16 0.00 -0.77 0.00 0.00 57.85 57.06 1p98 n ARG 38 Cb 0.00 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.80 1p98 n ARG 38 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1p98 n ASP 39 N -1.42 1.51 -0.04 0.55 8.00 -1.26 -3.68 116.55 120.21 1p98 n ASP 39 Ca 0.06 0.21 -0.01 0.00 0.71 0.00 0.00 54.79 55.77 1p98 n ASP 39 Cb 0.20 -0.38 -0.00 0.00 -0.02 0.00 0.00 41.12 40.92 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 0.45 0.00 -2.65 2.24 0.00 -1.82 -3.44 119.26 114.04 1p98 h ALA 40 Ca -0.41 -0.11 -0.60 0.00 0.00 0.00 0.00 54.91 53.79 1p98 h ALA 40 Cb 2.03 0.10 -0.39 0.00 0.00 0.00 0.00 17.79 19.53 1p98 h ALA 40 CO 0.06 0.10 -0.84 -0.06 0.00 0.00 0.00 179.25 178.51 1p98 s PHE 41 N -1.57 1.63 -0.04 0.00 0.08 -0.47 -4.98 117.98 112.63 1p98 s PHE 41 Ca -0.03 -2.40 -0.30 0.00 0.12 0.00 0.00 56.93 54.32 1p98 s PHE 41 Cb 0.00 -1.42 -0.04 0.00 -0.57 0.00 0.00 43.02 40.99 1p98 s PHE 41 CO 0.04 -0.77 1.36 -1.25 -0.10 0.00 0.00 175.22 174.50 1p98 s PRO 42 N 0.02 4.28 0.53 0.24 0.04 -1.23 -4.10 135.00 134.78 1p98 s PRO 42 Ca 0.26 1.87 0.45 0.00 0.04 0.00 0.00 61.00 63.62 1p98 s PRO 42 Cb -0.08 -3.63 1.66 0.00 0.04 0.00 0.00 34.50 32.49 1p98 s PRO 42 CO -0.12 -0.59 1.59 -0.39 0.04 0.00 0.00 177.00 177.54 1p98 h VAL 43 N 5.08 0.04 0.39 -0.36 -1.51 -1.88 0.49 116.25 118.50 1p98 h VAL 43 Ca -0.35 -0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.10 1p98 h VAL 43 Cb 1.16 0.03 -0.02 0.00 -2.13 0.00 0.00 31.29 30.34 1p98 h VAL 43 CO 0.91 0.00 -0.40 0.00 -1.23 0.00 0.00 177.57 176.85 1p98 h ALA 44 N 1.20 -1.07 -0.55 5.19 0.00 -1.96 -3.02 119.26 119.05 1p98 h ALA 44 Ca 0.90 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.63 1p98 h ALA 44 Cb 3.40 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 21.82 1p98 h ALA 44 CO -0.13 -1.10 0.03 0.41 0.00 0.00 0.00 179.25 178.47 1p98 n GLY 45 N -1.45 2.96 3.11 0.00 0.00 -0.03 -4.78 105.19 105.00 1p98 n GLY 45 Ca -0.09 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 0.49 3.03 -2.46 1.61 6.02 -0.11 -3.93 117.38 122.04 1p98 n GLN 46 Ca 0.27 -2.94 -0.31 0.00 -0.01 0.00 0.00 57.00 54.01 1p98 n GLN 46 Cb 1.16 -3.36 -0.02 0.00 1.02 0.00 0.00 30.24 29.04 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 3.50 3.76 0.06 -1.09 -0.14 0.33 -4.80 119.74 121.36 1p98 s LYS 47 Ca 0.50 0.65 0.04 0.00 -1.36 0.00 0.00 55.97 55.79 1p98 s LYS 47 Cb 0.09 -2.24 -0.03 0.00 -1.68 0.00 0.00 37.83 33.98 1p98 s LYS 47 CO -0.01 -0.25 -0.11 -0.51 -0.76 0.00 0.00 175.35 173.70 1p98 s LEU 48 N -4.34 2.27 -0.17 3.17 1.02 -0.91 -0.10 118.68 119.62 1p98 s LEU 48 Ca 0.54 -0.59 -0.00 0.00 0.02 0.00 0.00 54.13 54.09 1p98 s LEU 48 Cb -0.10 -0.34 0.04 0.00 0.02 0.00 0.00 46.19 45.80 1p98 s LEU 48 CO 0.38 -0.14 -0.07 -0.63 0.02 0.00 0.00 176.35 175.91 1p98 s ILE 49 N -1.37 1.22 -0.21 -0.59 -1.09 0.13 -0.94 121.20 118.35 1p98 s ILE 49 Ca -0.05 -0.69 0.01 0.00 -2.23 0.00 0.00 60.65 57.69 1p98 s ILE 49 Cb -0.10 -1.36 0.04 0.00 -1.58 0.00 0.00 42.46 39.46 1p98 s ILE 49 CO 0.01 0.16 -0.13 -0.47 -1.23 0.00 0.00 174.94 173.28 1p98 s TYR 50 N 1.59 2.69 -0.96 3.97 5.04 -0.26 -1.71 117.35 127.71 1p98 s TYR 50 Ca 0.01 -1.76 -0.01 0.00 -2.44 0.00 0.00 57.07 52.87 1p98 s TYR 50 Cb -0.15 -1.77 0.00 0.00 0.35 0.00 0.00 41.96 40.39 1p98 s TYR 50 CO -0.08 -0.79 0.10 0.00 -1.34 0.00 0.00 175.55 173.45 1p98 n ALA 51 N 4.61 -0.40 0.00 3.97 0.00 -1.26 -2.06 120.51 125.37 1p98 n ALA 51 Ca -0.16 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1p98 n ALA 51 Cb 0.46 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.06 2.54 3.94 0.00 0.00 -1.26 -5.02 105.19 104.32 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 -0.16 2.72 0.18 1.61 3.01 -0.88 -5.07 119.74 121.15 1p98 s LYS 53 Ca 0.00 -0.33 0.09 0.00 -1.01 0.00 0.00 55.97 54.71 1p98 s LYS 53 Cb 0.00 -2.36 -0.04 0.00 -1.01 0.00 0.00 37.83 34.42 1p98 s LYS 53 CO 0.00 -0.72 -0.07 0.42 0.51 0.00 0.00 175.35 175.48 1p98 s ILE 54 N -2.90 3.30 -0.08 2.17 -1.09 -1.26 -1.10 121.20 120.24 1p98 s ILE 54 Ca 0.55 -1.63 -0.06 0.00 -2.23 0.00 0.00 60.65 57.28 1p98 s ILE 54 Cb -0.10 -2.65 0.03 0.00 -1.58 0.00 0.00 42.46 38.16 1p98 s ILE 54 CO 0.42 -0.13 0.19 -1.48 -1.23 0.00 0.00 174.94 172.71 1p98 s LEU 55 N -2.90 1.02 0.48 2.97 2.34 -0.12 -4.91 118.68 117.55 1p98 s LEU 55 Ca 0.26 0.39 0.06 0.00 0.06 0.00 0.00 54.13 54.90 1p98 s LEU 55 Cb -0.09 0.61 0.00 0.00 -0.56 0.00 0.00 46.19 46.15 1p98 s LEU 55 CO 0.16 -0.10 0.34 -0.55 -1.06 0.00 0.00 176.35 175.14 1p98 s SER 56 N 0.52 4.68 0.34 1.48 0.15 -1.26 -2.13 113.70 117.47 1p98 s SER 56 Ca -0.03 -1.09 0.24 0.00 0.70 0.00 0.00 55.95 55.76 1p98 s SER 56 Cb -0.05 -0.04 1.22 0.00 -1.71 0.00 0.00 66.02 65.44 1p98 s SER 56 CO -0.03 -0.86 1.73 -2.24 1.20 0.00 0.00 173.24 173.05 1p98 h ASP 57 N 0.99 0.00 0.22 5.45 2.03 -1.87 -1.70 116.42 121.53 1p98 h ASP 57 Ca -0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 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 -1.02 -0.67 -1.03 0.00 0.00 179.24 177.12 1p98 n ASP 58 N -2.33 0.70 -4.88 4.15 2.03 -1.21 -2.12 116.55 112.89 1p98 n ASP 58 Ca -0.01 -0.53 -0.31 0.00 0.52 0.00 0.00 54.79 54.47 1p98 n ASP 58 Cb 0.09 0.91 -0.05 0.00 -0.72 0.00 0.00 41.12 41.35 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 -3.11 4.91 0.20 5.18 -7.23 -0.64 -4.88 120.40 114.83 1p98 s VAL 59 Ca 0.06 0.43 -0.30 0.00 -1.81 0.00 0.00 61.98 60.36 1p98 s VAL 59 Cb 0.16 -3.66 -0.08 0.00 0.56 0.00 0.00 36.38 33.35 1p98 s VAL 59 CO 0.82 -0.21 0.98 -2.16 -0.31 0.00 0.00 175.10 174.22 1p98 s PRO 60 N -3.18 4.77 0.41 4.82 0.05 -1.26 -3.20 135.00 137.40 1p98 s PRO 60 Ca 0.48 1.54 0.07 0.00 0.05 0.00 0.00 61.00 63.14 1p98 s PRO 60 Cb -0.11 -3.30 0.85 0.00 0.05 0.00 0.00 34.50 31.99 1p98 s PRO 60 CO 0.25 0.36 2.04 0.82 0.05 0.00 0.00 177.00 180.51 1p98 h ILE 61 N 3.44 1.11 -0.05 0.56 1.08 -1.36 -1.49 117.51 120.80 1p98 h ILE 61 Ca -0.45 -0.28 -0.05 0.00 -0.39 0.00 0.00 64.86 63.69 1p98 h ILE 61 Cb 1.21 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 35.56 1p98 h ILE 61 CO 0.69 0.12 -0.22 -0.09 -0.69 0.00 0.00 178.15 177.97 1p98 h ARG 62 N 0.50 0.09 0.00 2.37 2.43 -0.55 -1.59 114.38 117.64 1p98 h ARG 62 Ca 0.13 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1p98 h ARG 62 Cb 0.01 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1p98 h ARG 62 CO -0.02 0.31 -0.03 0.22 -1.51 0.00 0.00 179.97 178.93 1p98 h ASP 63 N 0.08 0.00 -0.26 -3.80 3.58 -1.54 -1.08 116.42 113.40 1p98 h ASP 63 Ca 0.01 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.40 1p98 h ASP 63 Cb 0.44 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.45 1p98 h ASP 63 CO 0.03 0.03 -0.02 -1.22 -2.88 0.00 0.00 179.24 175.18 1p98 n TYR 64 N -3.85 0.88 -3.64 0.28 4.02 -0.64 -4.99 117.16 109.23 1p98 n TYR 64 Ca -0.03 -1.13 -0.20 0.00 -0.01 0.00 0.00 57.90 56.53 1p98 n TYR 64 Cb 0.12 -0.35 -0.06 0.00 -0.02 0.00 0.00 39.34 39.02 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 -0.83 -0.95 -2.60 -0.72 0.00 -0.41 -4.77 116.66 106.39 1p98 n ARG 65 Ca 0.25 0.06 -0.41 0.00 -0.00 0.00 0.00 57.85 57.74 1p98 n ARG 65 Cb 0.91 -2.34 -0.03 0.00 -0.00 0.00 0.00 32.46 31.00 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 -3.75 3.84 0.17 8.89 1.01 -1.09 -4.97 121.20 125.29 1p98 s ILE 66 Ca 0.05 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.85 1p98 s ILE 66 Cb -0.03 -4.91 -0.03 0.00 0.01 0.00 0.00 42.46 37.50 1p98 s ILE 66 CO 0.64 -1.82 0.30 1.51 0.00 0.00 0.00 174.94 175.57 1p98 s ASP 67 N 3.90 6.31 0.25 3.58 1.47 -1.26 -4.90 116.67 126.02 1p98 s ASP 67 Ca 0.35 0.14 -0.05 0.00 1.18 0.00 0.00 52.55 54.17 1p98 s ASP 67 Cb -0.08 -1.88 0.28 0.00 -0.34 0.00 0.00 42.92 40.90 1p98 s ASP 67 CO 0.10 0.02 1.88 -0.08 0.68 0.00 0.00 175.17 177.78 1p98 h GLU 68 N 1.93 1.18 -0.89 2.11 4.81 -1.93 -1.86 114.58 119.92 1p98 h GLU 68 Ca -0.49 -0.13 0.25 0.00 -0.13 0.00 0.00 59.36 58.86 1p98 h GLU 68 Cb 1.20 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 1p98 h GLU 68 CO 0.67 0.86 0.63 0.87 -0.73 0.00 0.00 179.01 181.31 1p98 h LYS 69 N 1.18 0.03 0.00 1.92 6.56 -1.95 -3.41 116.57 120.90 1p98 h LYS 69 Ca 0.30 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.89 1p98 h LYS 69 Cb 0.03 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 1p98 h LYS 69 CO -0.05 0.02 0.00 -1.71 -2.06 0.00 0.00 179.45 175.65 1p98 n ASN 70 N -4.29 0.18 -3.65 0.86 4.05 -0.70 -5.15 115.26 106.56 1p98 n ASN 70 Ca 0.18 0.00 -0.04 0.00 0.45 0.00 0.00 54.58 55.17 1p98 n ASN 70 Cb 0.93 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.87 1p98 n ASN 70 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 1p98 s PHE 71 N 2.37 -0.16 0.33 1.20 -0.12 -1.25 -4.51 117.98 115.84 1p98 s PHE 71 Ca 0.00 0.38 0.05 0.00 -0.05 0.00 0.00 56.93 57.31 1p98 s PHE 71 Cb 0.00 0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 42.83 1p98 s PHE 71 CO 0.00 -0.08 0.48 0.54 -0.05 0.00 0.00 175.22 176.11 1p98 s VAL 72 N 0.04 4.44 -0.32 -2.49 0.11 -0.06 -4.91 120.40 117.21 1p98 s VAL 72 Ca 0.06 -0.88 -0.09 0.00 -2.93 0.00 0.00 61.98 58.15 1p98 s VAL 72 Cb -0.05 -3.57 0.01 0.00 -1.53 0.00 0.00 36.38 31.24 1p98 s VAL 72 CO -0.13 -0.26 0.14 -0.69 -3.33 0.00 0.00 175.10 170.83 1p98 s VAL 73 N -2.20 4.30 -0.82 2.04 1.01 -0.70 -0.85 120.40 123.20 1p98 s VAL 73 Ca 0.42 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 1p98 s VAL 73 Cb -0.09 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 33.01 1p98 s VAL 73 CO 0.32 -0.03 1.62 0.54 0.00 0.00 0.00 175.10 177.55 1p98 s VAL 74 N 1.54 3.62 -0.09 2.92 0.11 -0.02 -0.69 120.40 127.79 1p98 s VAL 74 Ca 0.03 -0.13 -0.10 0.00 -2.93 0.00 0.00 61.98 58.84 1p98 s VAL 74 Cb -0.18 -4.51 -0.05 0.00 -1.53 0.00 0.00 36.38 30.11 1p98 s VAL 74 CO 0.05 -1.44 0.24 -0.32 -3.33 0.00 0.00 175.10 170.30 1p98 s MET 75 N 6.14 3.75 -0.04 1.54 1.75 0.85 -4.51 119.30 128.78 1p98 s MET 75 Ca 0.54 0.06 0.01 0.00 -1.25 0.00 0.00 55.69 55.05 1p98 s MET 75 Cb -0.07 -3.25 0.02 0.00 2.84 0.00 0.00 34.83 34.38 1p98 s MET 75 CO 0.06 0.65 -0.06 0.08 -0.65 0.00 0.00 175.02 175.10 1p98 s VAL 76 N -0.75 0.61 0.09 10.11 1.01 -1.25 -0.51 120.40 129.70 1p98 s VAL 76 Ca 0.17 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1p98 s VAL 76 Cb -0.14 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 1p98 s VAL 76 CO 0.06 0.23 0.31 0.28 0.00 0.00 0.00 175.10 175.99 1p98 s THR 77 N 0.78 5.25 0.00 3.92 -1.32 -1.26 -5.05 115.64 117.96 1p98 s THR 77 Ca -0.11 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1p98 s THR 77 Cb -0.14 -3.61 0.00 0.00 -1.51 0.00 0.00 72.50 67.24 1p98 s THR 77 CO 0.01 0.15 0.12 0.29 -2.21 0.00 0.00 174.62 172.98