#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eml s SER 2 N 0.00 6.39 -0.04 1.61 0.01 -1.26 -4.97 113.70 115.45 2eml s SER 2 Ca 0.00 2.49 -0.01 0.00 1.31 0.00 0.00 55.95 59.74 2eml s SER 2 Cb 0.00 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.73 2eml s SER 2 CO 0.00 -1.12 0.06 -0.44 0.41 0.00 0.00 173.24 172.15 2eml s SER 3 N 4.60 0.72 -0.98 2.44 0.01 -1.26 -5.05 113.70 114.18 2eml s SER 3 Ca 0.86 0.09 -0.06 0.00 1.31 0.00 0.00 55.95 58.16 2eml s SER 3 Cb -0.40 -0.08 0.04 0.00 0.21 0.00 0.00 66.02 65.79 2eml s SER 3 CO 0.39 -0.21 2.70 0.61 0.41 0.00 0.00 173.24 177.14 2eml n GLY 4 N 4.90 4.62 3.40 3.44 0.00 -1.26 -4.84 105.19 115.45 2eml n GLY 4 Ca -0.12 -1.85 -0.45 0.00 0.00 0.00 0.00 46.02 43.60 2eml n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eml s SER 5 N 0.77 7.14 -0.31 1.61 0.01 -1.26 -4.99 113.70 116.66 2eml s SER 5 Ca 0.59 -3.18 -0.31 0.00 1.31 0.00 0.00 55.95 54.35 2eml s SER 5 Cb 0.26 -2.31 -0.08 0.00 0.21 0.00 0.00 66.02 64.09 2eml s SER 5 CO -0.12 -0.56 2.24 -1.20 0.41 0.00 0.00 173.24 174.01 2eml n SER 6 N 4.36 2.62 -3.00 2.44 7.64 -1.26 -4.86 113.62 121.57 2eml n SER 6 Ca 0.29 0.23 -0.15 0.00 1.01 0.00 0.00 58.87 60.26 2eml n SER 6 Cb 0.42 -1.42 -0.02 0.00 -1.01 0.00 0.00 64.21 62.18 2eml n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eml n GLY 7 N 6.15 0.94 0.12 0.23 0.00 -1.26 -4.98 105.19 106.38 2eml n GLY 7 Ca 0.36 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 2eml n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2eml n THR 8 N 2.26 1.59 -3.08 2.61 -2.24 -1.26 -4.68 114.28 109.48 2eml n THR 8 Ca 0.19 -0.20 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 2eml n THR 8 Cb 0.55 -1.96 -0.03 0.00 -2.10 0.00 0.00 70.33 66.79 2eml n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2eml n GLY 9 N 1.55 4.32 0.47 3.38 0.00 -1.26 -4.94 105.19 108.71 2eml n GLY 9 Ca -0.34 -2.09 -0.19 0.00 0.00 0.00 0.00 46.02 43.40 2eml n GLY 9 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2eml h GLU 10 N 2.99 -1.13 -2.22 1.61 4.11 -1.95 -3.46 114.58 114.53 2eml h GLU 10 Ca 0.11 0.08 -0.07 0.00 0.07 0.00 0.00 59.36 59.55 2eml h GLU 10 Cb 0.80 0.26 -0.20 0.00 0.50 0.00 0.00 28.75 30.11 2eml h GLU 10 CO 0.62 -0.75 0.06 0.15 0.07 0.00 0.00 179.01 179.16 2eml s LYS 11 N -5.83 0.86 0.00 1.06 1.02 -1.26 -5.02 119.74 110.57 2eml s LYS 11 Ca -0.19 0.49 0.15 0.00 0.02 0.00 0.00 55.97 56.45 2eml s LYS 11 Cb 0.02 0.41 0.73 0.00 -0.52 0.00 0.00 37.83 38.48 2eml s LYS 11 CO 0.58 -0.20 1.41 -0.35 -0.92 0.00 0.00 175.35 175.88 2eml n PRO 12 N 1.80 0.19 -3.73 -1.68 -0.04 -1.26 -4.59 135.00 125.70 2eml n PRO 12 Ca -0.17 0.16 -0.15 0.00 -0.04 0.00 0.00 63.50 63.30 2eml n PRO 12 Cb 0.56 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.37 2eml n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2eml s TYR 13 N -2.61 -0.13 -0.21 0.54 2.02 -1.26 -5.06 117.35 110.64 2eml s TYR 13 Ca 0.13 0.46 -0.04 0.00 -0.37 0.00 0.00 57.07 57.25 2eml s TYR 13 Cb 0.10 -0.17 0.11 0.00 -0.40 0.00 0.00 41.96 41.60 2eml s TYR 13 CO 0.23 -0.18 0.34 -2.00 -1.57 0.00 0.00 175.55 172.37 2eml s GLU 14 N 1.48 0.28 0.66 -0.62 2.12 -1.26 -2.61 118.70 118.76 2eml s GLU 14 Ca -0.06 0.63 -0.17 0.00 0.36 0.00 0.00 54.97 55.73 2eml s GLU 14 Cb -0.12 -0.35 -0.04 0.00 0.26 0.00 0.00 34.13 33.89 2eml s GLU 14 CO -0.05 -0.50 0.81 0.00 -0.54 0.00 0.00 175.26 174.98 2eml n SER 16 N -0.77 1.35 -0.38 0.00 2.88 -1.26 -2.73 113.62 112.71 2eml n SER 16 Ca 0.13 0.04 0.29 0.00 -1.33 0.00 0.00 58.87 58.00 2eml n SER 16 Cb 0.49 -0.15 0.56 0.00 -0.75 0.00 0.00 64.21 64.36 2eml n SER 16 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2eml h VAL 17 N -0.15 0.29 0.00 2.46 -1.51 -2.01 -3.12 116.25 112.22 2eml h VAL 17 Ca -0.14 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 2eml h VAL 17 Cb 1.15 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 2eml h VAL 17 CO -0.07 0.04 -0.85 0.00 -1.23 0.00 0.00 177.57 175.46 2eml n GLY 19 N 2.91 0.50 3.20 0.00 0.00 -1.18 -5.10 105.19 105.52 2eml n GLY 19 Ca 0.00 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 2eml n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2eml n LYS 20 N -0.09 0.49 -3.94 1.61 4.81 -1.10 -4.89 118.16 115.04 2eml n LYS 20 Ca 0.00 -3.31 -0.10 0.00 -0.87 0.00 0.00 58.31 54.03 2eml n LYS 20 Cb 0.01 2.26 -0.11 0.00 0.02 0.00 0.00 35.03 37.21 2eml n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2eml s ALA 21 N -3.21 0.01 -0.13 3.14 0.00 -1.26 -0.25 121.76 120.07 2eml s ALA 21 Ca 0.30 -0.39 -0.12 0.00 0.00 0.00 0.00 51.96 51.75 2eml s ALA 21 Cb 0.01 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.27 2eml s ALA 21 CO 0.21 -0.14 0.36 -0.06 0.00 0.00 0.00 175.76 176.13 2eml s PHE 22 N -1.16 -0.40 -0.30 0.00 0.40 -1.07 -4.97 117.98 110.49 2eml s PHE 22 Ca -0.13 0.96 0.01 0.00 -0.60 0.00 0.00 56.93 57.18 2eml s PHE 22 Cb -0.08 0.14 0.34 0.00 0.51 0.00 0.00 43.02 43.93 2eml s PHE 22 CO -0.00 -0.19 1.69 0.43 0.70 0.00 0.00 175.22 177.84 2eml n SER 23 N 2.95 4.49 -3.21 1.36 7.64 -1.26 -4.22 113.62 121.38 2eml n SER 23 Ca -0.13 -3.01 0.04 0.00 1.01 0.00 0.00 58.87 56.78 2eml n SER 23 Cb 0.57 -0.81 -0.02 0.00 -1.01 0.00 0.00 64.21 62.94 2eml n SER 23 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2eml s HIS 24 N -1.97 -0.53 0.23 1.43 5.65 -1.26 -5.04 115.29 113.80 2eml s HIS 24 Ca 0.34 0.67 -0.15 0.00 0.25 0.00 0.00 55.06 56.16 2eml s HIS 24 Cb 0.28 0.22 0.28 0.00 -1.18 0.00 0.00 32.58 32.18 2eml s HIS 24 CO 0.04 -0.28 1.51 -2.13 -0.65 0.00 0.00 174.74 173.23 2eml n ARG 25 N 5.27 -0.20 -0.21 2.88 0.63 -1.26 -0.01 116.66 123.75 2eml n ARG 25 Ca -0.07 1.50 -0.04 0.00 -0.92 0.00 0.00 57.85 58.32 2eml n ARG 25 Cb 0.54 -2.23 0.02 0.00 0.45 0.00 0.00 32.46 31.23 2eml n ARG 25 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2eml h GLN 26 N 0.00 -0.13 -0.40 -0.14 4.15 -1.99 -0.72 115.11 115.88 2eml h GLN 26 Ca 0.36 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.87 2eml h GLN 26 Cb 0.61 0.03 -0.09 0.00 0.21 0.00 0.00 27.48 28.23 2eml h GLN 26 CO -0.97 -0.08 -0.29 1.03 -1.93 0.00 0.00 178.83 176.58 2eml h SER 27 N -0.13 -0.96 -0.88 -0.69 0.87 -0.85 0.28 113.55 111.19 2eml h SER 27 Ca 0.25 0.18 0.19 0.00 -1.23 0.00 0.00 61.79 61.19 2eml h SER 27 Cb 0.55 0.47 -0.11 0.00 -0.44 0.00 0.00 62.40 62.86 2eml h SER 27 CO -0.69 -0.30 0.41 0.25 -0.53 0.00 0.00 176.83 175.97 2eml h LEU 28 N -0.22 0.41 0.96 2.23 5.85 -0.86 -1.13 115.31 122.55 2eml h LEU 28 Ca 0.18 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.99 2eml h LEU 28 Cb 0.51 0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.63 2eml h LEU 28 CO -0.53 0.09 -0.48 0.28 -0.34 0.00 0.00 178.44 177.46 2eml h SER 29 N 0.49 -1.15 0.00 1.25 0.02 -0.39 0.21 113.55 113.99 2eml h SER 29 Ca 0.52 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 2eml h SER 29 Cb 0.90 0.30 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2eml h SER 29 CO -0.46 -0.80 0.14 0.52 -1.14 0.00 0.00 176.83 175.09 2eml n VAL 30 N -5.66 0.86 -0.06 2.27 0.31 -0.79 -2.01 118.33 113.25 2eml n VAL 30 Ca -0.16 0.73 -0.04 0.00 -0.01 0.00 0.00 64.34 64.86 2eml n VAL 30 Cb 0.52 -1.73 -0.01 0.00 -0.91 0.00 0.00 33.84 31.70 2eml n VAL 30 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2eml n HIS 31 N -2.14 0.87 -0.35 3.52 -0.00 -0.49 -4.28 115.22 112.35 2eml n HIS 31 Ca -0.01 0.38 0.27 0.00 -0.00 0.00 0.00 57.72 58.36 2eml n HIS 31 Cb 0.16 -0.74 0.56 0.00 -0.00 0.00 0.00 29.99 29.98 2eml n HIS 31 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 2eml h GLN 32 N -0.92 0.28 -1.24 1.57 4.20 -0.25 0.31 115.11 119.06 2eml h GLN 32 Ca 0.00 -0.02 0.36 0.00 0.06 0.00 0.00 58.65 59.05 2eml h GLN 32 Cb 0.46 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.11 2eml h GLN 32 CO 0.00 0.18 0.86 0.07 -0.67 0.00 0.00 178.83 179.27 2eml h ARG 33 N 0.28 0.11 -0.79 1.46 0.11 -1.59 0.53 114.38 114.50 2eml h ARG 33 Ca 0.65 -0.01 0.11 0.00 0.10 0.00 0.00 59.98 60.83 2eml h ARG 33 Cb 1.84 -0.03 -0.06 0.00 1.11 0.00 0.00 29.97 32.83 2eml h ARG 33 CO -0.31 0.08 0.52 -0.84 0.10 0.00 0.00 179.97 179.52 2eml h ILE 34 N 0.12 0.91 0.00 0.08 3.07 -0.59 0.17 117.51 121.27 2eml h ILE 34 Ca 0.64 -0.23 -0.13 0.00 1.55 0.00 0.00 64.86 66.69 2eml h ILE 34 Cb 2.24 0.19 -0.02 0.00 -0.27 0.00 0.00 36.82 38.96 2eml h ILE 34 CO -0.14 0.12 -0.63 0.45 -1.05 0.00 0.00 178.15 176.90 2eml h HIS 35 N 0.66 0.00 -1.74 0.16 -0.00 -0.10 -3.43 115.15 110.70 2eml h HIS 35 Ca 0.37 0.00 -0.61 0.00 -0.00 0.00 0.00 60.37 60.13 2eml h HIS 35 Cb 0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.95 2eml h HIS 35 CO -0.00 0.63 1.46 0.43 -0.00 0.00 0.00 177.93 180.45 2eml n SER 36 N -3.77 2.97 0.00 2.45 7.64 0.05 -4.75 113.62 118.21 2eml n SER 36 Ca -0.01 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2eml n SER 36 Cb 0.63 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 2eml n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eml n GLY 37 N 5.94 1.39 3.65 0.23 0.00 -1.26 -5.03 105.19 110.11 2eml n GLY 37 Ca 0.33 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2eml n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2eml s LYS 38 N 0.67 4.20 -0.63 1.61 -2.85 -1.26 -4.87 119.74 116.61 2eml s LYS 38 Ca 0.00 1.26 -0.14 0.00 -1.00 0.00 0.00 55.97 56.09 2eml s LYS 38 Cb 0.00 -3.67 -0.17 0.00 -2.06 0.00 0.00 37.83 31.93 2eml s LYS 38 CO 0.00 -0.72 1.58 1.17 0.10 0.00 0.00 175.35 177.48 2eml n LYS 39 N 6.50 0.00 -0.01 1.78 0.00 -1.26 -4.75 118.16 120.42 2eml n LYS 39 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.30 2eml n LYS 39 Cb 0.46 -0.83 -0.10 0.00 0.00 0.00 0.00 35.03 34.57 2eml n LYS 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2eml h PRO 40 N 7.37 -0.01 -6.81 1.64 0.13 -2.00 -3.45 132.00 128.86 2eml h PRO 40 Ca -0.01 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.55 2eml h PRO 40 Cb 0.79 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.09 2eml h PRO 40 CO 0.94 0.47 0.02 -1.13 -0.23 0.00 0.00 178.00 178.07 2eml n SER 41 N -4.86 0.32 0.00 1.44 3.41 -1.26 -4.86 113.62 107.80 2eml n SER 41 Ca -0.08 0.74 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 2eml n SER 41 Cb 0.25 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 2eml n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eml n GLY 42 N 1.34 -1.70 3.56 5.00 0.00 -1.26 -5.07 105.19 107.06 2eml n GLY 42 Ca 0.13 0.74 -0.27 0.00 0.00 0.00 0.00 46.02 46.62 2eml n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eml s PRO 43 N 0.54 2.56 0.22 1.61 0.04 -1.26 -4.84 135.00 133.87 2eml s PRO 43 Ca 0.00 -0.33 -0.17 0.00 0.04 0.00 0.00 61.00 60.54 2eml s PRO 43 Cb 0.00 -5.07 0.23 0.00 0.04 0.00 0.00 34.50 29.70 2eml s PRO 43 CO 0.00 -3.40 1.57 0.77 0.04 0.00 0.00 177.00 175.98 2eml h SER 44 N 11.21 -1.21 -3.79 6.66 0.02 -2.01 -3.31 113.55 121.12 2eml h SER 44 Ca 0.10 0.27 -0.68 0.00 -0.84 0.00 0.00 61.79 60.65 2eml h SER 44 Cb 1.00 0.65 -0.35 0.00 0.14 0.00 0.00 62.40 63.84 2eml h SER 44 CO 1.21 -0.29 -0.73 -0.55 -1.14 0.00 0.00 176.83 175.33 2eml s SER 45 N -5.27 4.74 0.00 3.07 0.15 -1.26 -5.26 113.70 109.86 2eml s SER 45 Ca -0.14 -1.41 0.00 0.00 0.70 0.00 0.00 55.95 55.10 2eml s SER 45 Cb 0.20 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.85 2eml s SER 45 CO 0.72 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.51