#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em3 s SER 2 N 0.00 4.66 0.11 1.61 1.04 -1.26 -4.47 113.70 115.39 2em3 s SER 2 Ca 0.00 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.75 2em3 s SER 2 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2em3 s SER 2 CO 0.00 -3.26 0.00 -1.20 0.98 0.00 0.00 173.24 169.76 2em3 n SER 3 N 15.73 0.76 0.00 7.02 7.64 -1.26 -5.17 113.62 138.34 2em3 n SER 3 Ca 0.43 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.48 2em3 n SER 3 Cb 0.46 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 2em3 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2em3 n GLY 4 N 3.16 2.56 2.74 0.23 0.00 -1.26 -5.07 105.19 107.55 2em3 n GLY 4 Ca 0.00 -2.10 -0.23 0.00 0.00 0.00 0.00 46.02 43.69 2em3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2em3 s SER 5 N 0.00 1.60 0.00 1.61 1.04 -1.26 -5.14 113.70 111.56 2em3 s SER 5 Ca 0.00 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.33 2em3 s SER 5 Cb 0.00 -0.38 -0.01 0.00 0.10 0.00 0.00 66.02 65.74 2em3 s SER 5 CO 0.00 -0.22 -0.04 -0.55 0.98 0.00 0.00 173.24 173.41 2em3 s SER 6 N 2.02 0.46 0.00 7.02 0.15 -1.26 -5.08 113.70 117.00 2em3 s SER 6 Ca 0.04 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.56 2em3 s SER 6 Cb -0.13 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 2em3 s SER 6 CO -0.05 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2em3 n GLY 7 N 2.78 0.20 3.88 9.45 0.00 -1.26 -5.00 105.19 115.24 2em3 n GLY 7 Ca -0.14 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 2em3 n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2em3 n THR 8 N 0.00 -0.02 0.00 2.61 -2.24 -1.26 -4.30 114.28 109.07 2em3 n THR 8 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2em3 n THR 8 Cb 0.00 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 2em3 n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2em3 n GLY 9 N -0.97 -0.80 2.44 3.38 0.00 -1.26 -4.92 105.19 103.06 2em3 n GLY 9 Ca 0.08 -1.47 -0.16 0.00 0.00 0.00 0.00 46.02 44.48 2em3 n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2em3 n GLU 10 N -0.08 2.68 -1.86 1.61 1.02 -1.26 -5.09 120.64 117.65 2em3 n GLU 10 Ca 0.00 -3.91 -0.39 0.00 -0.02 0.00 0.00 57.16 52.84 2em3 n GLU 10 Cb 0.00 -1.93 0.02 0.00 -0.02 0.00 0.00 31.44 29.51 2em3 n GLU 10 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2em3 s LYS 11 N -3.58 3.56 0.00 3.49 -0.14 -1.26 -4.87 119.74 116.94 2em3 s LYS 11 Ca 0.40 2.28 0.15 0.00 -1.36 0.00 0.00 55.97 57.44 2em3 s LYS 11 Cb 0.39 -2.53 0.91 0.00 -1.68 0.00 0.00 37.83 34.92 2em3 s LYS 11 CO -0.03 -0.87 1.33 -0.35 -0.76 0.00 0.00 175.35 174.67 2em3 n PRO 12 N -0.43 0.49 -3.90 -1.68 -0.04 -1.26 -4.49 135.00 123.68 2em3 n PRO 12 Ca 0.07 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.24 2em3 n PRO 12 Cb 0.43 -1.49 -0.16 0.00 -0.04 0.00 0.00 33.50 32.24 2em3 n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2em3 s TYR 13 N -2.00 1.73 -0.12 0.54 2.02 -1.26 -5.09 117.35 113.17 2em3 s TYR 13 Ca 0.23 -1.07 -0.04 0.00 -0.37 0.00 0.00 57.07 55.82 2em3 s TYR 13 Cb 0.11 -1.33 0.06 0.00 -0.40 0.00 0.00 41.96 40.39 2em3 s TYR 13 CO 0.18 -0.61 0.16 -2.00 -1.57 0.00 0.00 175.55 171.70 2em3 s GLU 14 N 1.62 0.06 0.95 -0.62 2.12 -1.26 -2.43 118.70 119.14 2em3 s GLU 14 Ca 0.01 0.37 -0.11 0.00 0.36 0.00 0.00 54.97 55.59 2em3 s GLU 14 Cb -0.15 -0.75 0.16 0.00 0.26 0.00 0.00 34.13 33.65 2em3 s GLU 14 CO -0.08 -0.45 1.09 0.00 -0.54 0.00 0.00 175.26 175.28 2em3 n LYS 16 N -4.13 0.35 0.07 0.00 3.00 -1.26 -3.60 118.16 112.59 2em3 n LYS 16 Ca 0.07 0.14 -0.06 0.00 -0.00 0.00 0.00 58.31 58.46 2em3 n LYS 16 Cb 0.54 -1.10 -0.03 0.00 0.00 0.00 0.00 35.03 34.44 2em3 n LYS 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2em3 h VAL 17 N -0.51 0.00 0.00 3.15 2.07 -2.00 -3.19 116.25 115.77 2em3 h VAL 17 Ca -0.40 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 66.95 2em3 h VAL 17 Cb 1.38 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2em3 h VAL 17 CO -0.22 0.00 -0.99 0.00 0.02 0.00 0.00 177.57 176.37 2em3 n SER 19 N -3.16 -2.03 -4.94 0.00 2.88 -1.21 -5.06 113.62 100.11 2em3 n SER 19 Ca -0.03 -0.21 -0.23 0.00 -1.33 0.00 0.00 58.87 57.07 2em3 n SER 19 Cb 0.85 -2.07 0.01 0.00 -0.75 0.00 0.00 64.21 62.25 2em3 n SER 19 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2em3 s LYS 20 N -4.47 2.36 -0.02 -1.46 2.20 -1.26 -4.82 119.74 112.27 2em3 s LYS 20 Ca 0.00 -1.77 0.03 0.00 -0.36 0.00 0.00 55.97 53.87 2em3 s LYS 20 Cb -0.00 -2.34 -0.00 0.00 -1.51 0.00 0.00 37.83 33.97 2em3 s LYS 20 CO 0.25 -0.57 -0.09 0.00 -0.36 0.00 0.00 175.35 174.57 2em3 s ALA 21 N -2.65 0.84 0.24 3.13 0.00 -1.26 -0.60 121.76 121.45 2em3 s ALA 21 Ca 0.46 -0.36 0.10 0.00 0.00 0.00 0.00 51.96 52.16 2em3 s ALA 21 Cb -0.04 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 2em3 s ALA 21 CO 0.28 0.16 -0.17 -0.06 0.00 0.00 0.00 175.76 175.97 2em3 s PHE 22 N 0.05 2.00 -0.24 0.00 0.40 -1.02 -5.02 117.98 114.14 2em3 s PHE 22 Ca -0.01 -0.45 0.13 0.00 -0.60 0.00 0.00 56.93 56.01 2em3 s PHE 22 Cb -0.07 -0.90 0.57 0.00 0.51 0.00 0.00 43.02 43.13 2em3 s PHE 22 CO 0.00 0.53 1.51 0.25 0.70 0.00 0.00 175.22 178.21 2em3 n THR 23 N -0.45 2.49 -3.24 0.64 -2.24 -1.26 -4.31 114.28 105.91 2em3 n THR 23 Ca -0.07 -2.05 0.04 0.00 -2.27 0.00 0.00 64.05 59.70 2em3 n THR 23 Cb 0.60 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 2em3 n THR 23 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2em3 s GLN 24 N -2.97 0.40 0.39 -0.78 -0.21 -1.26 -5.02 119.66 110.20 2em3 s GLN 24 Ca 0.45 0.78 0.20 0.00 0.02 0.00 0.00 55.36 56.81 2em3 s GLN 24 Cb 0.38 0.44 1.17 0.00 1.00 0.00 0.00 33.01 36.00 2em3 s GLN 24 CO 0.08 -0.36 1.70 1.57 -2.12 0.00 0.00 175.29 176.16 2em3 h LYS 25 N 7.92 0.30 -0.79 2.91 5.09 -1.98 0.67 116.57 130.69 2em3 h LYS 25 Ca -0.18 -0.02 0.06 0.00 0.09 0.00 0.00 60.65 60.60 2em3 h LYS 25 Cb 1.15 -0.07 -0.05 0.00 0.10 0.00 0.00 32.23 33.37 2em3 h LYS 25 CO 0.09 0.20 0.52 0.00 -2.09 0.00 0.00 179.45 178.17 2em3 h ALA 26 N 1.67 1.62 0.06 0.07 0.00 -1.99 0.34 119.26 121.04 2em3 h ALA 26 Ca 0.69 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 55.31 2em3 h ALA 26 Cb 1.81 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 19.39 2em3 h ALA 26 CO -0.41 0.26 -1.11 0.45 0.00 0.00 0.00 179.25 178.44 2em3 h HIS 27 N 0.86 0.82 0.44 0.00 3.86 -0.09 -3.12 115.15 117.92 2em3 h HIS 27 Ca 0.34 -0.49 -0.02 0.00 -1.16 0.00 0.00 60.37 59.03 2em3 h HIS 27 Cb 0.21 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2em3 h HIS 27 CO -0.00 1.33 -0.21 1.25 0.86 0.00 0.00 177.93 181.16 2em3 h LEU 28 N 0.26 -0.50 -0.98 2.43 5.85 -0.65 -2.48 115.31 119.23 2em3 h LEU 28 Ca -0.14 0.02 0.32 0.00 0.84 0.00 0.00 57.88 58.92 2em3 h LEU 28 Cb 1.77 0.13 -0.15 0.00 0.37 0.00 0.00 40.66 42.78 2em3 h LEU 28 CO 0.20 -0.15 0.49 0.00 -0.34 0.00 0.00 178.44 178.64 2em3 h ALA 29 N -1.31 1.84 -0.06 1.25 0.00 -0.52 1.32 119.26 121.78 2em3 h ALA 29 Ca -0.06 0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2em3 h ALA 29 Cb 0.45 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2em3 h ALA 29 CO 0.10 -0.61 -0.42 1.96 0.00 0.00 0.00 179.25 180.28 2em3 h GLN 30 N 0.25 0.14 0.04 0.00 7.50 -1.57 -3.17 115.11 118.30 2em3 h GLN 30 Ca 0.72 -0.07 -0.00 0.00 0.50 0.00 0.00 58.65 59.80 2em3 h GLN 30 Cb 1.64 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.17 2em3 h GLN 30 CO -0.65 0.54 -0.02 1.25 -1.50 0.00 0.00 178.83 178.46 2em3 h HIS 31 N 0.12 -0.05 -1.62 2.96 -0.00 0.20 -2.61 115.15 114.14 2em3 h HIS 31 Ca 0.01 -0.00 0.47 0.00 -0.00 0.00 0.00 60.37 60.85 2em3 h HIS 31 Cb 0.80 0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 28.16 2em3 h HIS 31 CO 0.01 0.38 1.28 1.96 -0.00 0.00 0.00 177.93 181.56 2em3 h GLN 32 N -0.98 0.00 0.01 5.26 4.20 -0.44 1.90 115.11 125.05 2em3 h GLN 32 Ca -0.01 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 2em3 h GLN 32 Cb 0.45 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.18 2em3 h GLN 32 CO 0.01 0.00 -1.79 0.36 -0.67 0.00 0.00 178.83 176.74 2em3 n LYS 33 N -3.80 0.65 0.29 1.46 2.85 -1.20 -3.98 118.16 114.43 2em3 n LYS 33 Ca 0.36 0.27 0.16 0.00 -1.05 0.00 0.00 58.31 58.06 2em3 n LYS 33 Cb 1.78 -1.77 0.94 0.00 -0.65 0.00 0.00 35.03 35.33 2em3 n LYS 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2em3 h THR 34 N 0.01 0.47 -3.72 0.58 1.03 0.34 -3.43 112.91 108.18 2em3 h THR 34 Ca -0.32 0.00 -0.56 0.00 -0.01 0.00 0.00 66.41 65.52 2em3 h THR 34 Cb 2.03 0.98 0.13 0.00 -1.07 0.00 0.00 68.15 70.22 2em3 h THR 34 CO 0.08 0.00 0.52 1.41 -0.01 0.00 0.00 175.52 177.52 2em3 n HIS 35 N -3.76 2.17 -4.01 0.00 8.25 -0.89 -4.99 115.22 111.97 2em3 n HIS 35 Ca -0.03 0.47 -0.36 0.00 -0.26 0.00 0.00 57.72 57.55 2em3 n HIS 35 Cb 0.11 -2.37 -0.08 0.00 1.12 0.00 0.00 29.99 28.77 2em3 n HIS 35 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2em3 s THR 36 N -1.24 5.08 0.00 1.59 2.01 -1.26 -4.91 115.64 116.90 2em3 s THR 36 Ca 0.64 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.70 2em3 s THR 36 Cb -0.47 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 68.82 2em3 s THR 36 CO 0.55 0.58 0.00 0.61 -0.69 0.00 0.00 174.62 175.67 2em3 n GLY 37 N 2.40 -0.41 3.23 4.40 0.00 -1.26 -5.05 105.19 108.50 2em3 n GLY 37 Ca -0.19 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2em3 n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2em3 s GLU 38 N 0.00 2.78 -0.80 1.61 2.56 -1.26 -5.00 118.70 118.59 2em3 s GLU 38 Ca 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 54.97 52.96 2em3 s GLU 38 Cb 0.00 -4.05 0.20 0.00 2.00 0.00 0.00 34.13 32.27 2em3 s GLU 38 CO 0.00 -1.23 0.66 0.21 -0.56 0.00 0.00 175.26 174.34 2em3 s LYS 39 N 0.97 3.00 0.49 4.30 2.20 -1.26 -5.08 119.74 124.36 2em3 s LYS 39 Ca 0.09 -3.11 -0.22 0.00 -0.36 0.00 0.00 55.97 52.38 2em3 s LYS 39 Cb -0.23 -3.83 -0.07 0.00 -1.51 0.00 0.00 37.83 32.19 2em3 s LYS 39 CO -0.02 -1.25 1.15 -1.25 -0.36 0.00 0.00 175.35 173.63 2em3 s PRO 40 N -1.05 3.62 0.15 4.03 0.04 -1.26 -5.00 135.00 135.53 2em3 s PRO 40 Ca 0.25 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 2em3 s PRO 40 Cb -0.10 -2.27 -0.07 0.00 0.04 0.00 0.00 34.50 32.10 2em3 s PRO 40 CO -0.11 -0.65 1.02 -1.12 0.04 0.00 0.00 177.00 176.18 2em3 s SER 41 N -1.50 7.41 0.00 6.66 0.01 -1.26 -4.99 113.70 120.04 2em3 s SER 41 Ca 0.67 1.93 0.00 0.00 1.31 0.00 0.00 55.95 59.86 2em3 s SER 41 Cb -0.27 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.36 2em3 s SER 41 CO 0.32 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.47 2em3 n GLY 42 N 2.10 -1.73 3.72 3.44 0.00 -1.26 -5.11 105.19 106.35 2em3 n GLY 42 Ca 0.02 1.03 -0.42 0.00 0.00 0.00 0.00 46.02 46.66 2em3 n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2em3 s PRO 43 N 0.00 4.35 -1.73 1.61 0.04 -1.26 -3.20 135.00 134.81 2em3 s PRO 43 Ca 0.00 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.90 2em3 s PRO 43 Cb 0.00 -3.24 0.16 0.00 0.04 0.00 0.00 34.50 31.46 2em3 s PRO 43 CO 0.00 -0.38 0.69 -1.13 0.04 0.00 0.00 177.00 176.22 2em3 n SER 44 N 3.63 -2.59 -4.62 6.66 3.41 -1.26 -4.87 113.62 113.98 2em3 n SER 44 Ca 0.10 -1.08 -0.32 0.00 -0.26 0.00 0.00 58.87 57.31 2em3 n SER 44 Cb 0.43 -2.44 0.15 0.00 -0.26 0.00 0.00 64.21 62.09 2em3 n SER 44 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2em3 n SER 45 N -2.64 -0.02 0.00 4.04 3.41 -1.19 -5.34 113.62 111.88 2em3 n SER 45 Ca 0.05 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 2em3 n SER 45 Cb 0.50 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 2em3 n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49