#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 -3.72 -2.24 3.04 0.00 -1.26 -4.96 120.51 111.36 1p98 n ALA 2 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1p98 n ALA 2 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1p98 n ALA 2 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1p98 n VAL 3 N -4.16 0.00 -3.75 0.00 0.24 -1.06 -5.03 118.33 104.57 1p98 n VAL 3 Ca -0.02 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.98 1p98 n VAL 3 Cb 0.67 -1.12 -0.14 0.00 -1.47 0.00 0.00 33.84 31.78 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 1.35 1.13 0.89 3.34 2.01 -1.18 -4.04 115.64 119.14 1p98 s THR 4 Ca 0.00 -1.79 -0.11 0.00 0.31 0.00 0.00 61.69 60.10 1p98 s THR 4 Cb 0.00 -1.84 0.13 0.00 0.01 0.00 0.00 72.50 70.80 1p98 s THR 4 CO 0.00 -0.73 1.14 -0.38 -0.69 0.00 0.00 174.62 173.96 1p98 n ILE 5 N 4.45 0.51 -4.62 1.82 5.41 -0.46 -4.34 119.36 122.13 1p98 n ILE 5 Ca 0.01 -0.06 -0.24 0.00 1.00 0.00 0.00 62.75 63.47 1p98 n ILE 5 Cb 0.40 -1.04 -0.16 0.00 -0.71 0.00 0.00 39.64 38.14 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 -2.50 1.13 0.32 1.39 2.01 -1.26 -1.93 115.64 114.80 1p98 s THR 6 Ca 0.68 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 62.17 1p98 s THR 6 Cb -0.25 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 1p98 s THR 6 CO 0.57 0.34 0.11 -0.76 -0.69 0.00 0.00 174.62 174.18 1p98 s LEU 7 N 0.18 1.87 -0.30 4.42 1.02 -0.15 -1.67 118.68 124.05 1p98 s LEU 7 Ca -0.05 -1.49 -0.13 0.00 0.02 0.00 0.00 54.13 52.48 1p98 s LEU 7 Cb -0.11 -0.07 0.13 0.00 0.02 0.00 0.00 46.19 46.17 1p98 s LEU 7 CO 0.02 -0.79 0.78 -0.75 0.02 0.00 0.00 176.35 175.63 1p98 s LYS 8 N -3.87 0.51 0.00 1.70 2.20 -0.65 -2.12 119.74 117.51 1p98 s LYS 8 Ca 0.34 1.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.09 1p98 s LYS 8 Cb 0.06 0.54 0.00 0.00 -1.51 0.00 0.00 37.83 36.92 1p98 s LYS 8 CO 0.15 -0.15 0.00 0.25 -0.36 0.00 0.00 175.35 175.24 1p98 n THR 9 N 4.93 0.00 -0.59 3.43 -2.24 -0.42 -1.25 114.28 118.14 1p98 n THR 9 Ca -0.13 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.49 1p98 n THR 9 Cb 0.53 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.82 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 5.85 0.00 3.22 7.99 -1.26 -4.43 117.00 128.37 1p98 n LEU 10 Ca 0.00 -3.03 0.00 0.00 -0.01 0.00 0.00 56.01 52.97 1p98 n LEU 10 Cb 0.00 -0.89 0.00 0.00 -0.11 0.00 0.00 43.42 42.42 1p98 n LEU 10 CO 0.00 1.05 0.00 1.67 -1.51 0.00 0.00 177.39 178.60 1p98 n GLN 11 N 0.01 0.00 -0.05 3.23 7.27 -1.26 -4.86 117.38 121.71 1p98 n GLN 11 Ca 0.31 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 57.26 1p98 n GLN 11 Cb 0.80 -0.61 -0.07 0.00 2.41 0.00 0.00 30.24 32.77 1p98 n GLN 11 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1p98 h GLN 12 N 1.98 0.30 -6.04 3.69 4.20 -1.96 -3.44 115.11 113.84 1p98 h GLN 12 Ca 0.00 -0.14 -0.58 0.00 0.06 0.00 0.00 58.65 58.00 1p98 h GLN 12 Cb 0.00 -0.00 -0.26 0.00 0.30 0.00 0.00 27.48 27.51 1p98 h GLN 12 CO 0.00 0.65 -0.84 -0.65 -0.67 0.00 0.00 178.83 177.32 1p98 s GLN 13 N -4.48 1.40 -0.01 1.46 -0.21 -1.26 -5.05 119.66 111.51 1p98 s GLN 13 Ca -0.14 -0.91 0.01 0.00 0.02 0.00 0.00 55.36 54.34 1p98 s GLN 13 Cb 0.05 -1.49 -0.00 0.00 1.00 0.00 0.00 33.01 32.57 1p98 s GLN 13 CO 0.73 0.38 -0.04 0.99 -2.12 0.00 0.00 175.29 175.24 1p98 s THR 14 N -0.77 0.30 0.00 -0.19 2.01 -1.26 -1.30 115.64 114.43 1p98 s THR 14 Ca 0.07 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1p98 s THR 14 Cb -0.09 -0.26 0.00 0.00 0.01 0.00 0.00 72.50 72.16 1p98 s THR 14 CO 0.01 0.09 0.00 2.22 -0.69 0.00 0.00 174.62 176.26 1p98 n PHE 15 N 3.09 0.00 -3.47 4.92 1.16 -0.90 -5.01 117.46 117.25 1p98 n PHE 15 Ca -0.14 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.34 1p98 n PHE 15 Cb 0.58 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.43 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 1.10 -0.15 3.97 0.00 -1.26 -0.98 119.74 123.57 1p98 s LYS 16 Ca 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 55.97 55.52 1p98 s LYS 16 Cb 0.00 0.50 0.07 0.00 0.00 0.00 0.00 37.83 38.40 1p98 s LYS 16 CO 0.00 -0.48 0.21 0.42 0.00 0.00 0.00 175.35 175.50 1p98 s ILE 17 N -3.49 -0.32 0.00 3.79 -1.09 -0.81 -4.93 121.20 114.35 1p98 s ILE 17 Ca 0.03 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 1p98 s ILE 17 Cb -0.01 -0.51 0.00 0.00 -1.58 0.00 0.00 42.46 40.36 1p98 s ILE 17 CO -0.11 -0.03 0.23 -1.14 -1.23 0.00 0.00 174.94 172.66 1p98 n ARG 18 N 5.33 0.00 0.00 2.79 0.63 -1.26 -1.35 116.66 122.79 1p98 n ARG 18 Ca -0.05 0.23 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1p98 n ARG 18 Cb 0.50 -0.44 0.00 0.00 0.45 0.00 0.00 32.46 32.97 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 -0.91 0.00 -3.71 -0.14 0.00 -1.26 -2.44 117.12 108.67 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 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 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 0.83 0.00 3.17 2.12 -1.26 -2.56 118.70 121.01 1p98 s GLU 20 Ca 0.00 -0.33 0.09 0.00 0.36 0.00 0.00 54.97 55.08 1p98 s GLU 20 Cb 0.00 0.37 0.47 0.00 0.26 0.00 0.00 34.13 35.23 1p98 s GLU 20 CO 0.00 -0.27 1.04 -2.30 -0.54 0.00 0.00 175.26 173.19 1p98 n PRO 21 N 0.73 0.20 -0.04 4.30 -0.02 -1.26 -2.97 135.00 135.94 1p98 n PRO 21 Ca -0.19 0.09 -0.22 0.00 -2.02 0.00 0.00 63.50 61.16 1p98 n PRO 21 Cb 0.59 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.44 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 -1.12 2.02 -4.36 2.55 9.92 -1.26 0.90 116.55 125.20 1p98 n ASP 22 Ca 0.05 0.27 -0.34 0.00 -0.53 0.00 0.00 54.79 54.25 1p98 n ASP 22 Cb 0.05 -0.88 0.10 0.00 -0.64 0.00 0.00 41.12 39.75 1p98 n ASP 22 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1p98 n GLU 23 N -3.83 -0.19 -0.29 -1.24 -0.58 -1.16 -4.50 120.64 108.85 1p98 n GLU 23 Ca -0.34 -0.02 -0.01 0.00 -0.42 0.00 0.00 57.16 56.38 1p98 n GLU 23 Cb 0.91 -1.72 0.10 0.00 -0.57 0.00 0.00 31.44 30.16 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 -3.30 1.06 0.00 2.62 -2.24 -1.26 -1.54 114.28 109.62 1p98 n THR 24 Ca 0.06 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1p98 n THR 24 Cb 0.54 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.13 0.00 -0.18 2.28 0.31 -1.19 -3.15 118.33 116.54 1p98 n VAL 25 Ca 0.11 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.42 1p98 n VAL 25 Cb 0.62 0.00 0.20 0.00 -0.91 0.00 0.00 33.84 33.76 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 0.04 0.92 -0.40 5.55 3.64 -1.70 -1.25 116.57 123.36 1p98 h LYS 26 Ca 0.00 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1p98 h LYS 26 Cb 0.00 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1p98 h LYS 26 CO 0.00 0.73 0.26 -0.24 -2.27 0.00 0.00 179.45 177.94 1p98 h VAL 27 N 0.91 1.10 -0.50 2.00 3.04 -1.86 -1.33 116.25 119.62 1p98 h VAL 27 Ca 0.22 -0.18 -0.12 0.00 -1.01 0.00 0.00 66.70 65.61 1p98 h VAL 27 Cb 0.13 0.52 -0.02 0.00 -2.01 0.00 0.00 31.29 29.92 1p98 h VAL 27 CO -0.02 0.10 -0.15 0.25 -1.01 0.00 0.00 177.57 176.73 1p98 h LEU 28 N 0.53 0.97 -1.08 3.16 5.85 -1.65 -2.27 115.31 120.82 1p98 h LEU 28 Ca 0.15 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.58 1p98 h LEU 28 Cb -0.05 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.66 1p98 h LEU 28 CO -0.03 1.11 0.62 0.11 -0.34 0.00 0.00 178.44 179.91 1p98 h LYS 29 N 0.85 1.13 -0.64 1.25 1.57 -0.37 0.08 116.57 120.43 1p98 h LYS 29 Ca 0.13 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1p98 h LYS 29 Cb 0.71 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1p98 h LYS 29 CO 0.05 0.75 0.10 1.49 -0.57 0.00 0.00 179.45 181.28 1p98 h GLU 30 N 1.16 1.05 0.24 3.15 4.22 -0.87 -0.06 114.58 123.47 1p98 h GLU 30 Ca 0.39 -0.28 -0.01 0.00 0.08 0.00 0.00 59.36 59.54 1p98 h GLU 30 Cb 0.07 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1p98 h GLU 30 CO -0.13 0.98 -0.11 0.87 -2.18 0.00 0.00 179.01 178.43 1p98 h LYS 31 N 0.97 -0.31 -0.97 1.92 6.56 -0.88 -1.06 116.57 122.81 1p98 h LYS 31 Ca 0.19 0.02 0.07 0.00 -1.06 0.00 0.00 60.65 59.88 1p98 h LYS 31 Cb 0.43 0.07 -0.07 0.00 -0.57 0.00 0.00 32.23 32.10 1p98 h LYS 31 CO 0.01 0.05 0.62 0.82 -2.06 0.00 0.00 179.45 178.89 1p98 h ILE 32 N -0.74 1.05 -0.39 1.86 2.04 -1.01 0.11 117.51 120.43 1p98 h ILE 32 Ca -0.03 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 1p98 h ILE 32 Cb 0.50 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1p98 h ILE 32 CO 0.05 0.20 -0.09 -0.08 0.00 0.00 0.00 178.15 178.23 1p98 h GLU 33 N 1.09 0.68 0.00 2.37 4.22 -1.00 -1.35 114.58 120.58 1p98 h GLU 33 Ca 0.43 -0.20 -0.07 0.00 0.08 0.00 0.00 59.36 59.59 1p98 h GLU 33 Cb 0.23 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1p98 h GLU 33 CO -0.17 0.76 -0.33 0.00 -2.18 0.00 0.00 179.01 177.08 1p98 h ALA 34 N 1.28 1.19 -0.05 2.92 0.00 0.50 0.71 119.26 125.81 1p98 h ALA 34 Ca 0.11 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1p98 h ALA 34 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1p98 h ALA 34 CO 0.03 0.41 -0.16 1.49 0.00 0.00 0.00 179.25 181.02 1p98 h GLU 35 N 0.00 0.20 0.00 0.00 4.81 -0.49 -3.42 114.58 115.68 1p98 h GLU 35 Ca -0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1p98 h GLU 35 Cb 0.70 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1p98 h GLU 35 CO 0.04 0.77 -0.42 1.17 -0.73 0.00 0.00 179.01 179.85 1p98 n LYS 36 N -4.59 0.25 0.00 1.92 3.00 -0.56 -5.11 118.16 113.06 1p98 n LYS 36 Ca -0.08 0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 1p98 n LYS 36 Cb 0.40 -1.04 0.00 0.00 0.00 0.00 0.00 35.03 34.40 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 1.69 0.00 3.14 0.00 0.25 -4.76 105.19 107.05 1p98 n GLY 37 Ca -0.06 -1.66 0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.71 0.17 -0.05 1.61 0.00 -1.26 -1.37 116.66 114.05 1p98 n ARG 38 Ca 0.00 0.12 -0.16 0.00 -0.00 0.00 0.00 57.85 57.81 1p98 n ARG 38 Cb 0.00 -1.50 -0.14 0.00 -0.00 0.00 0.00 32.46 30.82 1p98 n ARG 38 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1p98 n ASP 39 N -1.37 1.47 0.01 2.89 9.92 -1.26 -3.58 116.55 124.62 1p98 n ASP 39 Ca 0.08 0.14 -0.02 0.00 -0.53 0.00 0.00 54.79 54.46 1p98 n ASP 39 Cb 0.19 -0.28 -0.01 0.00 -0.64 0.00 0.00 41.12 40.38 1p98 n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p98 h ALA 40 N 0.41 -0.12 -2.44 2.24 0.00 -1.80 -3.43 119.26 114.12 1p98 h ALA 40 Ca -0.45 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 53.84 1p98 h ALA 40 Cb 2.03 0.04 -0.39 0.00 0.00 0.00 0.00 17.79 19.47 1p98 h ALA 40 CO 0.03 -0.12 -0.91 1.19 0.00 0.00 0.00 179.25 179.45 1p98 n PHE 41 N -4.31 -0.02 -2.20 0.00 3.72 -0.47 -4.91 117.46 109.28 1p98 n PHE 41 Ca -0.01 -3.53 -0.42 0.00 -0.05 0.00 0.00 57.45 53.43 1p98 n PHE 41 Cb 0.04 0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.42 4.29 0.45 -1.08 0.04 -1.24 -4.01 135.00 133.05 1p98 s PRO 42 Ca 0.32 2.01 0.37 0.00 0.04 0.00 0.00 61.00 63.74 1p98 s PRO 42 Cb 0.04 -3.48 1.47 0.00 0.04 0.00 0.00 34.50 32.57 1p98 s PRO 42 CO -0.18 -0.54 1.43 1.33 0.04 0.00 0.00 177.00 179.09 1p98 n VAL 43 N 4.45 -0.12 0.22 -0.36 0.24 -1.26 -0.73 118.33 120.76 1p98 n VAL 43 Ca 0.13 1.52 -0.13 0.00 -2.04 0.00 0.00 64.34 63.82 1p98 n VAL 43 Cb 0.43 -2.51 -0.07 0.00 -1.47 0.00 0.00 33.84 30.22 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 1.21 -1.06 -0.47 2.33 0.00 -1.96 -3.09 119.26 116.21 1p98 h ALA 44 Ca 0.83 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1p98 h ALA 44 Cb 3.01 0.59 0.00 0.00 0.00 0.00 0.00 17.79 21.39 1p98 h ALA 44 CO -0.23 -1.07 0.00 0.41 0.00 0.00 0.00 179.25 178.35 1p98 n GLY 45 N -1.41 2.68 2.80 0.00 0.00 0.09 -4.79 105.19 104.56 1p98 n GLY 45 Ca -0.09 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 0.53 2.57 -2.79 1.61 1.13 -0.17 -3.80 117.38 116.47 1p98 n GLN 46 Ca 0.22 -2.42 -0.36 0.00 -1.94 0.00 0.00 57.00 52.51 1p98 n GLN 46 Cb 1.01 -3.19 -0.07 0.00 0.11 0.00 0.00 30.24 28.10 1p98 n GLN 46 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1p98 s LYS 47 N 3.57 4.47 0.23 -1.09 3.01 0.13 -4.81 119.74 125.24 1p98 s LYS 47 Ca 0.50 1.27 0.11 0.00 -1.01 0.00 0.00 55.97 56.83 1p98 s LYS 47 Cb 0.14 -2.61 -0.05 0.00 -1.01 0.00 0.00 37.83 34.30 1p98 s LYS 47 CO -0.04 0.18 -0.20 -0.51 0.51 0.00 0.00 175.35 175.29 1p98 s LEU 48 N -2.40 2.53 -0.20 3.17 1.02 -0.96 -0.16 118.68 121.68 1p98 s LEU 48 Ca 0.54 -0.97 -0.02 0.00 0.02 0.00 0.00 54.13 53.70 1p98 s LEU 48 Cb -0.16 -1.00 0.06 0.00 0.02 0.00 0.00 46.19 45.11 1p98 s LEU 48 CO 0.21 0.01 0.01 -0.63 0.02 0.00 0.00 176.35 175.97 1p98 s ILE 49 N -2.34 0.72 -0.18 -0.59 -1.09 0.15 -0.99 121.20 116.88 1p98 s ILE 49 Ca 0.24 -0.66 0.01 0.00 -2.23 0.00 0.00 60.65 58.02 1p98 s ILE 49 Cb -0.05 -1.16 0.02 0.00 -1.58 0.00 0.00 42.46 39.69 1p98 s ILE 49 CO 0.11 -0.16 -0.19 -0.47 -1.23 0.00 0.00 174.94 173.00 1p98 s TYR 50 N 1.77 2.75 -1.13 3.97 5.04 -0.18 -1.27 117.35 128.29 1p98 s TYR 50 Ca -0.02 -1.65 -0.02 0.00 -2.44 0.00 0.00 57.07 52.94 1p98 s TYR 50 Cb -0.17 -1.89 0.00 0.00 0.35 0.00 0.00 41.96 40.26 1p98 s TYR 50 CO -0.08 -0.80 0.31 0.00 -1.34 0.00 0.00 175.55 173.65 1p98 n ALA 51 N 4.62 -0.61 -0.14 3.97 0.00 -1.26 -1.94 120.51 125.15 1p98 n ALA 51 Ca -0.20 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1p98 n ALA 51 Cb 0.49 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 -1.22 2.67 3.96 0.00 0.00 -1.26 -5.01 105.19 104.34 1p98 n GLY 52 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.02 2.55 0.14 1.61 3.01 -0.82 -5.07 119.74 121.15 1p98 s LYS 53 Ca 0.00 -0.63 0.07 0.00 -1.01 0.00 0.00 55.97 54.40 1p98 s LYS 53 Cb 0.00 -2.43 -0.04 0.00 -1.01 0.00 0.00 37.83 34.35 1p98 s LYS 53 CO 0.00 -0.76 -0.04 0.42 0.51 0.00 0.00 175.35 175.48 1p98 s ILE 54 N -2.84 3.63 -0.03 2.17 -1.09 -1.26 -1.02 121.20 120.77 1p98 s ILE 54 Ca 0.57 -1.33 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 1p98 s ILE 54 Cb -0.10 -2.77 0.03 0.00 -1.58 0.00 0.00 42.46 38.03 1p98 s ILE 54 CO 0.40 -0.01 0.01 -1.48 -1.23 0.00 0.00 174.94 172.62 1p98 s LEU 55 N -2.62 1.17 0.49 2.97 2.34 -0.16 -4.89 118.68 117.97 1p98 s LEU 55 Ca 0.25 -0.01 0.08 0.00 0.06 0.00 0.00 54.13 54.51 1p98 s LEU 55 Cb -0.10 -0.19 0.04 0.00 -0.56 0.00 0.00 46.19 45.38 1p98 s LEU 55 CO 0.17 -0.10 0.66 -0.55 -1.06 0.00 0.00 176.35 175.47 1p98 s SER 56 N 1.00 5.42 0.40 1.48 0.15 -1.26 -2.25 113.70 118.63 1p98 s SER 56 Ca -0.10 -0.58 0.28 0.00 0.70 0.00 0.00 55.95 56.25 1p98 s SER 56 Cb -0.13 -0.29 1.38 0.00 -1.71 0.00 0.00 66.02 65.27 1p98 s SER 56 CO -0.02 -1.01 1.85 -2.24 1.20 0.00 0.00 173.24 173.02 1p98 h ASP 57 N 0.44 0.00 0.11 5.45 3.04 -1.87 -2.22 116.42 121.37 1p98 h ASP 57 Ca -0.36 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.43 1p98 h ASP 57 Cb 1.28 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.57 1p98 h ASP 57 CO 0.43 0.00 -0.70 0.47 -2.04 0.00 0.00 179.24 177.41 1p98 n ASP 58 N -2.51 1.17 -4.88 4.15 9.92 -1.22 -2.19 116.55 120.99 1p98 n ASP 58 Ca -0.00 -0.98 -0.31 0.00 -0.53 0.00 0.00 54.79 52.97 1p98 n ASP 58 Cb 0.13 0.64 -0.05 0.00 -0.64 0.00 0.00 41.12 41.20 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 -2.82 4.96 0.23 2.53 -7.23 -0.84 -4.92 120.40 112.32 1p98 s VAL 59 Ca 0.13 0.35 -0.30 0.00 -1.81 0.00 0.00 61.98 60.35 1p98 s VAL 59 Cb 0.17 -3.66 -0.09 0.00 0.56 0.00 0.00 36.38 33.37 1p98 s VAL 59 CO 0.73 -0.17 0.99 -2.16 -0.31 0.00 0.00 175.10 174.18 1p98 s PRO 60 N -3.08 4.77 0.47 4.82 0.05 -1.26 -3.16 135.00 137.60 1p98 s PRO 60 Ca 0.46 1.58 0.13 0.00 0.05 0.00 0.00 61.00 63.22 1p98 s PRO 60 Cb -0.11 -3.27 1.09 0.00 0.05 0.00 0.00 34.50 32.26 1p98 s PRO 60 CO 0.24 0.39 2.09 0.82 0.05 0.00 0.00 177.00 180.59 1p98 h ILE 61 N 3.27 1.01 -0.01 0.56 1.08 -1.37 -1.08 117.51 120.97 1p98 h ILE 61 Ca -0.45 -0.09 -0.09 0.00 -0.39 0.00 0.00 64.86 63.83 1p98 h ILE 61 Cb 1.20 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.67 1p98 h ILE 61 CO 0.68 0.05 -0.44 -0.09 -0.69 0.00 0.00 178.15 177.67 1p98 h ARG 62 N 0.27 0.02 0.00 2.37 2.43 0.26 -2.29 114.38 117.43 1p98 h ARG 62 Ca 0.11 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1p98 h ARG 62 Cb 0.10 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1p98 h ARG 62 CO -0.02 0.45 -0.11 0.22 -1.51 0.00 0.00 179.97 179.00 1p98 h ASP 63 N 0.02 0.00 -0.40 -3.80 1.82 -1.45 -0.85 116.42 111.75 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 0.78 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.79 1p98 h ASP 63 CO 0.06 0.11 0.00 -1.22 -1.61 0.00 0.00 179.24 176.58 1p98 n TYR 64 N -3.98 1.25 -3.86 0.28 4.02 -0.90 -4.97 117.16 109.00 1p98 n TYR 64 Ca -0.02 -0.77 -0.29 0.00 -0.01 0.00 0.00 57.90 56.81 1p98 n TYR 64 Cb 0.20 -0.33 -0.05 0.00 -0.02 0.00 0.00 39.34 39.14 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 0.08 -1.55 -2.19 -0.72 1.85 -0.33 -4.74 116.66 109.06 1p98 n ARG 65 Ca 0.23 0.11 -0.33 0.00 -1.00 0.00 0.00 57.85 56.85 1p98 n ARG 65 Cb 0.92 -4.67 -0.04 0.00 -1.05 0.00 0.00 32.46 27.62 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 -2.84 3.55 0.30 8.89 1.01 -1.03 -4.93 121.20 126.15 1p98 s ILE 66 Ca 0.56 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.91 1p98 s ILE 66 Cb -0.32 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.81 1p98 s ILE 66 CO 0.68 -1.22 0.53 1.51 0.00 0.00 0.00 174.94 176.45 1p98 s ASP 67 N 7.06 6.38 0.18 3.58 -4.77 -1.26 -4.84 116.67 123.00 1p98 s ASP 67 Ca 0.62 0.58 -0.13 0.00 -3.30 0.00 0.00 52.55 50.31 1p98 s ASP 67 Cb -0.07 -2.09 0.13 0.00 -1.09 0.00 0.00 42.92 39.81 1p98 s ASP 67 CO 0.03 -0.22 1.79 -0.08 0.70 0.00 0.00 175.17 177.39 1p98 h GLU 68 N 1.37 0.49 -0.80 2.11 4.81 -1.92 -1.96 114.58 118.68 1p98 h GLU 68 Ca -0.48 -0.03 0.23 0.00 -0.13 0.00 0.00 59.36 58.95 1p98 h GLU 68 Cb 1.20 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 1p98 h GLU 68 CO 0.65 0.32 0.66 0.87 -0.73 0.00 0.00 179.01 180.78 1p98 h LYS 69 N 0.50 0.00 -6.11 1.92 6.56 -1.95 -3.40 116.57 114.09 1p98 h LYS 69 Ca 0.22 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.27 1p98 h LYS 69 Cb 0.12 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 31.71 1p98 h LYS 69 CO -0.15 0.00 -0.51 1.21 -2.06 0.00 0.00 179.45 177.94 1p98 s ASN 70 N -5.27 4.80 0.02 0.86 2.47 -0.74 -5.13 114.94 111.96 1p98 s ASN 70 Ca -0.05 -0.73 0.03 0.00 0.42 0.00 0.00 52.86 52.53 1p98 s ASN 70 Cb 0.19 -0.76 -0.01 0.00 -1.45 0.00 0.00 41.25 39.22 1p98 s ASN 70 CO 0.68 -0.33 -0.09 0.72 -3.72 0.00 0.00 177.10 174.37 1p98 s PHE 71 N -2.41 0.76 0.04 0.43 -0.12 -1.26 -4.23 117.98 111.20 1p98 s PHE 71 Ca 0.39 -0.29 -0.07 0.00 -0.05 0.00 0.00 56.93 56.92 1p98 s PHE 71 Cb -0.03 -0.47 -0.05 0.00 -0.63 0.00 0.00 43.02 41.84 1p98 s PHE 71 CO 0.24 -0.02 0.31 0.54 -0.05 0.00 0.00 175.22 176.23 1p98 s VAL 72 N -0.69 5.25 -0.29 -2.49 0.11 -0.67 -4.91 120.40 116.70 1p98 s VAL 72 Ca -0.02 0.17 -0.26 0.00 -2.93 0.00 0.00 61.98 58.94 1p98 s VAL 72 Cb -0.06 -3.59 0.01 0.00 -1.53 0.00 0.00 36.38 31.20 1p98 s VAL 72 CO 0.00 0.29 0.93 -0.69 -3.33 0.00 0.00 175.10 172.30 1p98 s VAL 73 N -1.38 4.69 -1.00 2.04 1.01 -0.39 -1.64 120.40 123.73 1p98 s VAL 73 Ca 0.31 1.54 -0.21 0.00 0.00 0.00 0.00 61.98 63.63 1p98 s VAL 73 Cb -0.13 -4.26 0.09 0.00 0.00 0.00 0.00 36.38 32.08 1p98 s VAL 73 CO 0.18 -0.29 1.32 0.54 0.00 0.00 0.00 175.10 176.86 1p98 s VAL 74 N 3.21 4.29 0.06 2.92 0.11 -0.38 0.32 120.40 130.93 1p98 s VAL 74 Ca 0.39 -1.18 -0.16 0.00 -2.93 0.00 0.00 61.98 58.10 1p98 s VAL 74 Cb -0.14 -4.94 -0.06 0.00 -1.53 0.00 0.00 36.38 29.71 1p98 s VAL 74 CO 0.12 -1.76 0.50 -0.32 -3.33 0.00 0.00 175.10 170.31 1p98 s MET 75 N 3.92 4.03 -0.04 1.54 0.00 0.77 -4.29 119.30 125.24 1p98 s MET 75 Ca 0.41 0.54 -0.03 0.00 0.00 0.00 0.00 55.69 56.61 1p98 s MET 75 Cb -0.02 -3.15 0.01 0.00 0.00 0.00 0.00 34.83 31.67 1p98 s MET 75 CO -0.09 0.62 0.09 0.08 0.00 0.00 0.00 175.02 175.72 1p98 s VAL 76 N -1.19 -0.01 0.18 10.11 1.01 -1.26 -0.70 120.40 128.55 1p98 s VAL 76 Ca 0.29 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1p98 s VAL 76 Cb -0.17 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.07 1p98 s VAL 76 CO 0.17 0.01 0.00 0.41 0.00 0.00 0.00 175.10 175.69 1p98 n THR 77 N 3.23 -4.33 -0.63 3.92 -1.04 -1.25 -5.04 114.28 109.14 1p98 n THR 77 Ca -0.15 1.46 0.00 0.00 -2.04 0.00 0.00 64.05 63.32 1p98 n THR 77 Cb 0.58 -2.57 0.00 0.00 -1.82 0.00 0.00 70.33 66.52 1p98 n THR 77 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60