#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 -0.42 -0.40 1.61 0.15 -1.26 -5.13 113.70 108.25 2em3 s SER 2 Ca 0.00 0.78 0.04 0.00 0.70 0.00 0.00 55.95 57.47 2em3 s SER 2 Cb 0.00 0.86 0.11 0.00 -1.71 0.00 0.00 66.02 65.28 2em3 s SER 2 CO 0.00 -0.13 0.13 -0.44 1.20 0.00 0.00 173.24 173.99 2em3 s SER 3 N 0.41 4.59 -0.06 5.45 0.01 -1.26 -5.08 113.70 117.76 2em3 s SER 3 Ca 0.01 -2.46 -0.09 0.00 1.31 0.00 0.00 55.95 54.73 2em3 s SER 3 Cb -0.05 -1.62 0.02 0.00 0.21 0.00 0.00 66.02 64.59 2em3 s SER 3 CO -0.09 -0.33 0.22 -0.83 0.41 0.00 0.00 173.24 172.63 2em3 s GLY 4 N 0.49 -0.13 -0.15 3.44 0.00 -1.26 -5.15 107.32 104.55 2em3 s GLY 4 Ca 0.13 0.45 -0.08 0.00 0.00 0.00 0.00 44.72 45.22 2em3 s GLY 4 CO -0.05 0.34 0.36 -1.35 0.00 0.00 0.00 173.10 172.40 2em3 s SER 5 N -0.37 -0.44 0.41 1.64 1.04 -1.26 -5.17 113.70 109.55 2em3 s SER 5 Ca -0.05 0.79 0.07 0.00 0.48 0.00 0.00 55.95 57.24 2em3 s SER 5 Cb -0.03 0.67 -0.06 0.00 0.10 0.00 0.00 66.02 66.70 2em3 s SER 5 CO 0.01 -0.18 0.13 -0.44 0.98 0.00 0.00 173.24 173.74 2em3 s SER 6 N 1.32 4.27 -0.31 7.02 0.01 -1.26 -5.13 113.70 119.62 2em3 s SER 6 Ca -0.09 -1.16 -0.00 0.00 1.31 0.00 0.00 55.95 56.00 2em3 s SER 6 Cb -0.09 -0.45 0.14 0.00 0.21 0.00 0.00 66.02 65.83 2em3 s SER 6 CO -0.11 -0.52 0.28 -0.83 0.41 0.00 0.00 173.24 172.47 2em3 s GLY 7 N -3.85 0.08 -0.06 3.44 0.00 -1.26 -5.01 107.32 100.66 2em3 s GLY 7 Ca 0.39 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 44.36 2em3 s GLY 7 CO 0.21 2.53 2.28 2.41 0.00 0.00 0.00 173.10 180.53 2em3 n THR 8 N 4.93 2.30 0.00 0.90 -1.04 -1.26 -4.87 114.28 115.24 2em3 n THR 8 Ca 0.02 -0.89 0.00 0.00 -2.04 0.00 0.00 64.05 61.14 2em3 n THR 8 Cb 0.44 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.40 2em3 n THR 8 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2em3 n GLY 9 N 1.48 1.25 2.45 3.41 0.00 -1.26 -4.70 105.19 107.82 2em3 n GLY 9 Ca 0.12 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.83 2em3 n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2em3 n GLU 10 N -1.69 1.92 -3.98 1.61 4.07 -1.26 -5.07 120.64 116.25 2em3 n GLU 10 Ca 0.00 -4.27 -0.09 0.00 -0.06 0.00 0.00 57.16 52.74 2em3 n GLU 10 Cb 0.00 -2.02 -0.10 0.00 -0.06 0.00 0.00 31.44 29.26 2em3 n GLU 10 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2em3 s LYS 11 N -1.92 0.47 0.46 5.31 3.01 -1.26 -5.04 119.74 120.77 2em3 s LYS 11 Ca 0.36 -0.76 0.25 0.00 -1.01 0.00 0.00 55.97 54.81 2em3 s LYS 11 Cb 0.12 0.18 1.06 0.00 -1.01 0.00 0.00 37.83 38.17 2em3 s LYS 11 CO -0.07 -0.10 1.89 -1.00 0.51 0.00 0.00 175.35 176.58 2em3 h PRO 12 N 4.01 0.00 -5.03 -1.68 0.13 -1.91 -3.41 132.00 124.10 2em3 h PRO 12 Ca -0.32 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.15 2em3 h PRO 12 Cb 1.19 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.03 2em3 h PRO 12 CO 0.49 0.20 -0.74 0.71 -0.23 0.00 0.00 178.00 178.43 2em3 s TYR 13 N -3.78 2.93 -0.06 1.56 2.02 -1.26 -5.09 117.35 113.67 2em3 s TYR 13 Ca -0.00 -0.98 -0.02 0.00 -0.37 0.00 0.00 57.07 55.69 2em3 s TYR 13 Cb 0.11 -2.06 0.04 0.00 -0.40 0.00 0.00 41.96 39.64 2em3 s TYR 13 CO 0.62 -0.54 0.11 -2.00 -1.57 0.00 0.00 175.55 172.16 2em3 s GLU 14 N 1.35 0.00 0.89 -0.62 2.12 -1.26 -1.89 118.70 119.30 2em3 s GLU 14 Ca 0.04 0.40 -0.11 0.00 0.36 0.00 0.00 54.97 55.66 2em3 s GLU 14 Cb -0.14 -0.31 0.12 0.00 0.26 0.00 0.00 34.13 34.07 2em3 s GLU 14 CO -0.04 -0.25 1.09 0.00 -0.54 0.00 0.00 175.26 175.52 2em3 n LYS 16 N -3.85 1.37 0.26 0.00 4.81 -1.26 -3.59 118.16 115.90 2em3 n LYS 16 Ca 0.07 0.03 -0.15 0.00 -0.87 0.00 0.00 58.31 57.39 2em3 n LYS 16 Cb 0.55 -1.22 -0.08 0.00 0.02 0.00 0.00 35.03 34.30 2em3 n LYS 16 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2em3 h VAL 17 N 0.00 0.42 -0.29 3.15 2.07 -1.98 -3.29 116.25 116.34 2em3 h VAL 17 Ca -0.24 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2em3 h VAL 17 Cb 1.45 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2em3 h VAL 17 CO -0.01 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.63 2em3 n SER 19 N -0.54 -0.79 -4.67 0.00 2.88 -1.24 -4.80 113.62 104.46 2em3 n SER 19 Ca 0.23 0.40 -0.43 0.00 -1.33 0.00 0.00 58.87 57.74 2em3 n SER 19 Cb 0.93 -0.81 -0.02 0.00 -0.75 0.00 0.00 64.21 63.56 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 -4.04 4.35 0.04 -1.46 2.20 -1.26 -4.66 119.74 114.90 2em3 s LYS 20 Ca 0.00 1.35 -0.11 0.00 -0.36 0.00 0.00 55.97 56.85 2em3 s LYS 20 Cb 0.00 -3.58 -0.06 0.00 -1.51 0.00 0.00 37.83 32.68 2em3 s LYS 20 CO 0.00 -0.44 0.37 0.00 -0.36 0.00 0.00 175.35 174.92 2em3 s ALA 21 N 2.49 3.74 0.23 3.13 0.00 -1.26 -0.62 121.76 129.47 2em3 s ALA 21 Ca 0.46 -0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.12 2em3 s ALA 21 Cb -0.17 -2.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 2em3 s ALA 21 CO 0.13 0.55 -0.11 -0.06 0.00 0.00 0.00 175.76 176.28 2em3 s PHE 22 N -1.27 1.76 0.01 0.00 0.40 -0.79 -4.99 117.98 113.10 2em3 s PHE 22 Ca 0.29 -0.64 0.11 0.00 -0.60 0.00 0.00 56.93 56.08 2em3 s PHE 22 Cb -0.15 -0.90 -0.20 0.00 0.51 0.00 0.00 43.02 42.29 2em3 s PHE 22 CO 0.16 0.29 0.96 0.00 0.70 0.00 0.00 175.22 177.33 2em3 h THR 23 N 2.47 1.17 -1.78 0.64 1.03 -1.99 -3.37 112.91 111.08 2em3 h THR 23 Ca -0.39 -2.92 -0.59 0.00 -0.01 0.00 0.00 66.41 62.50 2em3 h THR 23 Cb 1.22 2.56 -0.13 0.00 -1.07 0.00 0.00 68.15 70.74 2em3 h THR 23 CO 0.64 0.67 -0.55 -1.10 -0.01 0.00 0.00 175.52 175.16 2em3 s GLN 24 N -2.68 1.96 -0.08 0.00 -1.52 -1.26 -4.90 119.66 111.17 2em3 s GLN 24 Ca -0.02 -2.17 -0.14 0.00 -1.95 0.00 0.00 55.36 51.08 2em3 s GLN 24 Cb 0.09 -1.16 -0.29 0.00 -0.22 0.00 0.00 33.01 31.43 2em3 s GLN 24 CO 0.82 -0.29 0.61 1.57 -0.25 0.00 0.00 175.29 177.75 2em3 h LYS 25 N 1.72 0.32 -1.01 2.91 5.09 -1.99 -3.33 116.57 120.27 2em3 h LYS 25 Ca -0.41 -0.54 0.25 0.00 0.09 0.00 0.00 60.65 60.04 2em3 h LYS 25 Cb 1.27 0.20 -0.12 0.00 0.10 0.00 0.00 32.23 33.69 2em3 h LYS 25 CO 0.70 1.26 0.61 0.00 -2.09 0.00 0.00 179.45 179.93 2em3 h ALA 26 N 0.03 1.88 -0.37 0.07 0.00 -1.98 0.37 119.26 119.26 2em3 h ALA 26 Ca -0.32 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2em3 h ALA 26 Cb 1.92 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 2em3 h ALA 26 CO 0.12 -0.35 0.05 0.45 0.00 0.00 0.00 179.25 179.52 2em3 h HIS 27 N 0.54 0.66 0.44 0.00 3.86 -1.99 -1.00 115.15 117.68 2em3 h HIS 27 Ca 0.64 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.73 2em3 h HIS 27 Cb 1.29 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.59 2em3 h HIS 27 CO -0.01 0.68 -0.21 1.25 0.86 0.00 0.00 177.93 180.50 2em3 h LEU 28 N 0.46 -0.50 -0.83 2.43 5.85 -0.91 0.10 115.31 121.90 2em3 h LEU 28 Ca 0.11 -0.06 0.18 0.00 0.84 0.00 0.00 57.88 58.95 2em3 h LEU 28 Cb 0.38 0.13 -0.11 0.00 0.37 0.00 0.00 40.66 41.43 2em3 h LEU 28 CO 0.01 -0.08 0.35 0.00 -0.34 0.00 0.00 178.44 178.37 2em3 h ALA 29 N -0.91 1.24 -0.07 1.25 0.00 -0.49 0.17 119.26 120.45 2em3 h ALA 29 Ca -0.06 0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 2em3 h ALA 29 Cb 0.53 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2em3 h ALA 29 CO 0.10 -0.26 -0.71 0.37 0.00 0.00 0.00 179.25 178.75 2em3 h GLN 30 N 0.43 0.36 -0.17 0.00 5.75 -1.22 -3.26 115.11 117.01 2em3 h GLN 30 Ca 0.48 -0.29 -0.02 0.00 -0.15 0.00 0.00 58.65 58.68 2em3 h GLN 30 Cb 0.82 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.43 2em3 h GLN 30 CO -0.47 0.93 0.04 1.25 -2.65 0.00 0.00 178.83 177.94 2em3 h HIS 31 N 0.25 0.28 -0.96 3.99 2.76 0.17 -2.98 115.15 118.66 2em3 h HIS 31 Ca -0.03 -0.03 0.30 0.00 -2.20 0.00 0.00 60.37 58.41 2em3 h HIS 31 Cb 1.27 -0.08 -0.17 0.00 1.55 0.00 0.00 27.41 29.99 2em3 h HIS 31 CO 0.04 0.40 0.28 1.96 -1.30 0.00 0.00 177.93 179.30 2em3 h GLN 32 N 0.08 0.10 -0.99 5.26 4.20 -0.83 0.61 115.11 123.54 2em3 h GLN 32 Ca 0.05 -0.01 0.31 0.00 0.06 0.00 0.00 58.65 59.07 2em3 h GLN 32 Cb 0.25 -0.02 -0.15 0.00 0.30 0.00 0.00 27.48 27.86 2em3 h GLN 32 CO 0.00 0.07 0.54 0.87 -0.67 0.00 0.00 178.83 179.64 2em3 h LYS 33 N 0.10 0.32 -0.61 1.46 6.56 -1.63 0.79 116.57 123.57 2em3 h LYS 33 Ca 0.66 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 60.23 2em3 h LYS 33 Cb 1.50 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 33.05 2em3 h LYS 33 CO -0.77 0.21 0.35 1.79 -2.06 0.00 0.00 179.45 178.98 2em3 h THR 34 N 0.33 1.18 -0.08 -0.16 1.35 0.08 -1.99 112.91 113.62 2em3 h THR 34 Ca 0.71 -0.42 -0.01 0.00 -0.55 0.00 0.00 66.41 66.14 2em3 h THR 34 Cb 1.60 0.33 -0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2em3 h THR 34 CO -0.60 0.19 0.00 0.45 -0.25 0.00 0.00 175.52 175.31 2em3 h HIS 35 N 0.84 0.15 -0.64 4.73 3.86 0.55 -3.02 115.15 121.64 2em3 h HIS 35 Ca 0.22 -0.03 -0.40 0.00 -1.16 0.00 0.00 60.37 59.01 2em3 h HIS 35 Cb -0.01 -0.04 -0.19 0.00 1.06 0.00 0.00 27.41 28.23 2em3 h HIS 35 CO 0.00 0.40 0.51 -2.37 0.86 0.00 0.00 177.93 177.34 2em3 n THR 36 N -4.84 2.82 0.00 2.45 5.66 -0.93 -4.98 114.28 114.46 2em3 n THR 36 Ca -0.06 -1.76 0.00 0.00 -3.05 0.00 0.00 64.05 59.17 2em3 n THR 36 Cb 0.19 -1.07 0.00 0.00 -1.55 0.00 0.00 70.33 67.90 2em3 n THR 36 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2em3 n GLY 37 N -0.21 1.22 2.98 1.09 0.00 -0.77 -4.37 105.19 105.12 2em3 n GLY 37 Ca 0.39 0.47 -0.12 0.00 0.00 0.00 0.00 46.02 46.76 2em3 n GLY 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2em3 s GLU 38 N 0.00 0.17 -0.63 1.61 -1.05 -1.26 -4.51 118.70 113.03 2em3 s GLU 38 Ca 0.00 -0.05 -0.14 0.00 -0.15 0.00 0.00 54.97 54.63 2em3 s GLU 38 Cb 0.00 0.07 -0.17 0.00 -0.44 0.00 0.00 34.13 33.60 2em3 s GLU 38 CO 0.00 -0.03 1.56 1.17 0.95 0.00 0.00 175.26 178.91 2em3 n LYS 39 N 2.65 0.00 -2.10 -4.83 3.00 -1.26 -4.74 118.16 110.88 2em3 n LYS 39 Ca -0.15 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.73 2em3 n LYS 39 Cb 0.58 -0.82 -0.03 0.00 0.00 0.00 0.00 35.03 34.77 2em3 n LYS 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2em3 s PRO 40 N 5.17 3.55 -1.35 1.64 0.04 -1.26 -3.70 135.00 139.10 2em3 s PRO 40 Ca 0.85 1.44 -0.13 0.00 0.04 0.00 0.00 61.00 63.20 2em3 s PRO 40 Cb -0.69 -4.11 0.13 0.00 0.04 0.00 0.00 34.50 29.87 2em3 s PRO 40 CO 0.33 -1.59 0.32 0.45 0.04 0.00 0.00 177.00 176.55 2em3 n SER 41 N 9.33 -0.78 -4.84 6.66 2.88 -1.26 -4.87 113.62 120.75 2em3 n SER 41 Ca 0.20 -0.95 -0.32 0.00 -1.33 0.00 0.00 58.87 56.48 2em3 n SER 41 Cb 0.46 -1.20 -0.06 0.00 -0.75 0.00 0.00 64.21 62.67 2em3 n SER 41 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2em3 s GLY 42 N -3.08 2.09 0.00 0.46 0.00 -1.24 -4.98 107.32 100.57 2em3 s GLY 42 Ca 0.45 -0.88 0.11 0.00 0.00 0.00 0.00 44.72 44.41 2em3 s GLY 42 CO 0.77 -0.81 1.11 -1.55 0.00 0.00 0.00 173.10 172.62 2em3 n PRO 43 N 0.75 0.49 -4.09 2.90 -0.04 -1.26 -4.84 135.00 128.91 2em3 n PRO 43 Ca -0.10 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.03 2em3 n PRO 43 Cb 0.52 -1.37 -0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2em3 n PRO 43 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2em3 n SER 44 N -0.87 -3.97 -4.69 3.54 3.41 -1.26 -4.90 113.62 104.88 2em3 n SER 44 Ca 0.09 -0.91 -0.41 0.00 -0.26 0.00 0.00 58.87 57.38 2em3 n SER 44 Cb 0.04 -3.27 -0.04 0.00 -0.26 0.00 0.00 64.21 60.68 2em3 n SER 44 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2em3 s SER 45 N -3.31 7.01 0.00 4.04 0.01 -1.26 -5.25 113.70 114.94 2em3 s SER 45 Ca 0.70 1.24 0.00 0.00 1.31 0.00 0.00 55.95 59.20 2em3 s SER 45 Cb -0.37 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.40 2em3 s SER 45 CO 0.88 -0.32 0.30 0.61 0.41 0.00 0.00 173.24 175.13