#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 4.07 -0.63 1.61 0.15 -1.26 -4.95 113.70 112.70 2em3 s SER 2 Ca 0.00 0.14 -0.26 0.00 0.70 0.00 0.00 55.95 56.53 2em3 s SER 2 Cb 0.00 -0.49 -0.05 0.00 -1.71 0.00 0.00 66.02 63.77 2em3 s SER 2 CO 0.00 -2.08 2.07 -0.94 1.20 0.00 0.00 173.24 173.49 2em3 s SER 3 N -4.72 4.91 0.00 5.45 1.04 -1.26 -4.65 113.70 114.47 2em3 s SER 3 Ca 0.67 0.39 0.00 0.00 0.48 0.00 0.00 55.95 57.48 2em3 s SER 3 Cb -0.07 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2em3 s SER 3 CO 0.47 -2.69 0.00 0.61 0.98 0.00 0.00 173.24 172.62 2em3 n GLY 4 N 6.02 3.91 3.02 7.32 0.00 -1.26 -5.11 105.19 119.09 2em3 n GLY 4 Ca 0.30 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 2em3 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2em3 s SER 5 N 0.00 4.15 -0.14 1.61 0.15 -1.26 -4.95 113.70 113.26 2em3 s SER 5 Ca 0.00 -1.28 0.11 0.00 0.70 0.00 0.00 55.95 55.48 2em3 s SER 5 Cb 0.00 -1.39 -0.16 0.00 -1.71 0.00 0.00 66.02 62.76 2em3 s SER 5 CO 0.00 -0.20 0.03 -1.54 1.20 0.00 0.00 173.24 172.73 2em3 n SER 6 N 4.54 1.76 -3.92 5.45 3.41 -1.26 -5.02 113.62 118.58 2em3 n SER 6 Ca -0.13 -0.01 -0.28 0.00 -0.26 0.00 0.00 58.87 58.19 2em3 n SER 6 Cb 0.43 0.74 0.01 0.00 -0.26 0.00 0.00 64.21 65.13 2em3 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2em3 n GLY 7 N 2.21 -0.36 0.10 5.00 0.00 -1.26 -4.88 105.19 106.00 2em3 n GLY 7 Ca -0.23 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 2em3 n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2em3 n THR 8 N -4.46 1.56 -1.71 2.61 5.66 -1.26 -4.57 114.28 112.11 2em3 n THR 8 Ca -0.13 -0.76 -0.41 0.00 -3.05 0.00 0.00 64.05 59.69 2em3 n THR 8 Cb 0.60 -1.03 -0.01 0.00 -1.55 0.00 0.00 70.33 68.35 2em3 n THR 8 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2em3 n GLY 9 N 1.78 4.45 3.24 1.09 0.00 -1.26 -4.89 105.19 109.60 2em3 n GLY 9 Ca -0.28 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 2em3 n GLY 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2em3 s GLU 10 N 2.49 3.01 0.03 1.61 -1.05 -1.26 -5.10 118.70 118.43 2em3 s GLU 10 Ca 0.52 -0.86 -0.06 0.00 -0.15 0.00 0.00 54.97 54.41 2em3 s GLU 10 Cb 0.15 -3.01 -0.01 0.00 -0.44 0.00 0.00 34.13 30.82 2em3 s GLU 10 CO -0.07 -0.34 0.11 0.15 0.95 0.00 0.00 175.26 176.06 2em3 s LYS 11 N 1.38 0.55 0.34 -4.83 -0.14 -1.26 -5.03 119.74 110.75 2em3 s LYS 11 Ca 0.02 -0.61 0.27 0.00 -1.36 0.00 0.00 55.97 54.28 2em3 s LYS 11 Cb -0.16 0.22 1.11 0.00 -1.68 0.00 0.00 37.83 37.32 2em3 s LYS 11 CO -0.04 -0.14 1.79 -1.00 -0.76 0.00 0.00 175.35 175.21 2em3 h PRO 12 N 3.90 0.00 -3.80 -1.68 0.13 -1.92 -3.41 132.00 125.23 2em3 h PRO 12 Ca -0.32 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.34 2em3 h PRO 12 Cb 1.19 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.94 2em3 h PRO 12 CO 0.46 0.00 -0.77 0.71 -0.23 0.00 0.00 178.00 178.17 2em3 s TYR 13 N -3.43 0.94 -0.06 1.56 2.02 -1.26 -5.08 117.35 112.04 2em3 s TYR 13 Ca 0.03 -0.44 -0.03 0.00 -0.37 0.00 0.00 57.07 56.26 2em3 s TYR 13 Cb 0.09 -0.95 0.04 0.00 -0.40 0.00 0.00 41.96 40.74 2em3 s TYR 13 CO 0.43 -0.43 0.11 -2.00 -1.57 0.00 0.00 175.55 172.09 2em3 s GLU 14 N 1.89 -0.02 0.96 -0.62 2.12 -1.26 -2.44 118.70 119.33 2em3 s GLU 14 Ca 0.04 0.46 -0.11 0.00 0.36 0.00 0.00 54.97 55.72 2em3 s GLU 14 Cb -0.13 -0.37 0.17 0.00 0.26 0.00 0.00 34.13 34.05 2em3 s GLU 14 CO -0.06 -0.31 1.09 0.00 -0.54 0.00 0.00 175.26 175.44 2em3 n LYS 16 N -4.22 1.67 0.26 0.00 4.81 -1.26 -3.55 118.16 115.87 2em3 n LYS 16 Ca 0.07 0.01 -0.11 0.00 -0.87 0.00 0.00 58.31 57.42 2em3 n LYS 16 Cb 0.54 -1.31 -0.05 0.00 0.02 0.00 0.00 35.03 34.23 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 0.00 -0.51 3.15 2.07 -1.98 -3.31 116.25 115.67 2em3 h VAL 17 Ca -0.33 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 2em3 h VAL 17 Cb 1.70 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 2em3 h VAL 17 CO 0.00 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.65 2em3 n SER 19 N 0.01 -1.07 -4.85 0.00 3.41 -1.23 -4.84 113.62 105.05 2em3 n SER 19 Ca 0.29 -0.45 -0.30 0.00 -0.26 0.00 0.00 58.87 58.15 2em3 n SER 19 Cb 1.14 -0.97 0.05 0.00 -0.26 0.00 0.00 64.21 64.18 2em3 n SER 19 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2em3 s LYS 20 N -4.69 2.77 -0.03 4.33 2.20 -1.26 -4.72 119.74 118.33 2em3 s LYS 20 Ca 0.38 0.64 0.05 0.00 -0.36 0.00 0.00 55.97 56.68 2em3 s LYS 20 Cb -0.22 -2.00 -0.01 0.00 -1.51 0.00 0.00 37.83 34.09 2em3 s LYS 20 CO 0.47 -1.14 -0.17 0.00 -0.36 0.00 0.00 175.35 174.15 2em3 s ALA 21 N -3.22 1.50 0.08 3.13 0.00 -1.26 -0.49 121.76 121.50 2em3 s ALA 21 Ca 0.58 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.90 2em3 s ALA 21 Cb -0.12 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 2em3 s ALA 21 CO 0.53 0.31 -0.19 -0.06 0.00 0.00 0.00 175.76 176.35 2em3 s PHE 22 N -0.13 1.61 0.09 0.00 0.40 -1.02 -5.03 117.98 113.91 2em3 s PHE 22 Ca 0.00 -0.42 -0.10 0.00 -0.60 0.00 0.00 56.93 55.82 2em3 s PHE 22 Cb -0.10 -0.90 -0.19 0.00 0.51 0.00 0.00 43.02 42.34 2em3 s PHE 22 CO 0.01 0.15 1.21 0.00 0.70 0.00 0.00 175.22 177.29 2em3 h THR 23 N 4.19 1.34 -3.05 0.64 1.03 -2.01 -3.38 112.91 111.67 2em3 h THR 23 Ca -0.44 -2.42 -0.56 0.00 -0.01 0.00 0.00 66.41 62.99 2em3 h THR 23 Cb 1.18 2.49 -0.17 0.00 -1.07 0.00 0.00 68.15 70.58 2em3 h THR 23 CO 0.40 0.73 -0.78 -1.10 -0.01 0.00 0.00 175.52 174.77 2em3 s GLN 24 N -3.19 1.40 0.20 0.00 -0.21 -1.26 -4.92 119.66 111.68 2em3 s GLN 24 Ca -0.08 -1.51 -0.07 0.00 0.02 0.00 0.00 55.36 53.72 2em3 s GLN 24 Cb 0.07 -1.49 0.15 0.00 1.00 0.00 0.00 33.01 32.74 2em3 s GLN 24 CO 0.90 0.30 1.67 1.57 -2.12 0.00 0.00 175.29 177.61 2em3 h LYS 25 N 2.99 0.98 -0.98 2.91 5.09 -1.98 -2.94 116.57 122.64 2em3 h LYS 25 Ca -0.42 -0.31 0.29 0.00 0.09 0.00 0.00 60.65 60.30 2em3 h LYS 25 Cb 1.22 -0.09 -0.14 0.00 0.10 0.00 0.00 32.23 33.31 2em3 h LYS 25 CO 0.53 0.98 0.51 0.00 -2.09 0.00 0.00 179.45 179.38 2em3 h ALA 26 N 1.07 1.80 -0.14 0.07 0.00 -1.99 0.41 119.26 120.48 2em3 h ALA 26 Ca 0.16 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 2em3 h ALA 26 Cb 0.56 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2em3 h ALA 26 CO 0.03 -0.51 -0.12 0.45 0.00 0.00 0.00 179.25 179.11 2em3 h HIS 27 N 0.34 0.39 0.85 0.00 3.86 -1.95 -2.78 115.15 115.86 2em3 h HIS 27 Ca 0.69 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.74 2em3 h HIS 27 Cb 1.50 -0.08 0.01 0.00 1.06 0.00 0.00 27.41 29.89 2em3 h HIS 27 CO -0.06 0.71 -0.41 1.25 0.86 0.00 0.00 177.93 180.28 2em3 h LEU 28 N -0.03 -0.97 -0.78 2.43 5.85 -0.72 0.13 115.31 121.22 2em3 h LEU 28 Ca 0.03 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.90 2em3 h LEU 28 Cb 0.63 0.25 -0.13 0.00 0.37 0.00 0.00 40.66 41.78 2em3 h LEU 28 CO 0.03 -0.62 -0.38 0.00 -0.34 0.00 0.00 178.44 177.13 2em3 h ALA 29 N -1.27 -0.01 -0.66 1.25 0.00 -0.44 0.25 119.26 118.37 2em3 h ALA 29 Ca -0.12 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2em3 h ALA 29 Cb 0.88 0.92 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 2em3 h ALA 29 CO 0.19 -0.68 0.22 0.37 0.00 0.00 0.00 179.25 179.35 2em3 h GLN 30 N -0.10 1.02 0.61 0.00 5.75 -1.49 -3.19 115.11 117.71 2em3 h GLN 30 Ca 0.27 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 2em3 h GLN 30 Cb 0.57 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 2em3 h GLN 30 CO -0.82 0.88 -0.50 1.25 -2.65 0.00 0.00 178.83 176.98 2em3 h HIS 31 N 0.95 -1.37 -1.27 3.99 2.76 0.22 -1.99 115.15 118.44 2em3 h HIS 31 Ca 0.21 0.00 0.42 0.00 -2.20 0.00 0.00 60.37 58.81 2em3 h HIS 31 Cb 0.27 0.52 -0.11 0.00 1.55 0.00 0.00 27.41 29.64 2em3 h HIS 31 CO 0.02 -0.70 0.84 1.04 -1.30 0.00 0.00 177.93 177.83 2em3 n GLN 32 N -5.59 -0.03 -0.23 5.26 6.02 0.53 0.43 117.38 123.77 2em3 n GLN 32 Ca -0.13 1.04 -0.02 0.00 -0.01 0.00 0.00 57.00 57.89 2em3 n GLN 32 Cb 0.48 -2.11 0.05 0.00 1.02 0.00 0.00 30.24 29.68 2em3 n GLN 32 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2em3 h LYS 33 N 0.00 -0.06 -0.37 -1.09 1.79 -1.41 0.60 116.57 116.03 2em3 h LYS 33 Ca 0.76 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 59.31 2em3 h LYS 33 Cb 2.57 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 33.21 2em3 h LYS 33 CO -0.33 -0.04 0.26 0.00 -1.08 0.00 0.00 179.45 178.26 2em3 h THR 34 N -0.06 0.89 -3.19 -0.16 1.03 -0.17 -3.39 112.91 107.85 2em3 h THR 34 Ca 0.30 -0.05 -0.57 0.00 -0.01 0.00 0.00 66.41 66.08 2em3 h THR 34 Cb 0.53 0.73 -0.05 0.00 -1.07 0.00 0.00 68.15 68.29 2em3 h THR 34 CO -0.71 0.03 1.00 -1.00 -0.01 0.00 0.00 175.52 174.82 2em3 s HIS 35 N -5.17 2.60 1.21 0.00 3.76 0.21 -5.00 115.29 112.90 2em3 s HIS 35 Ca -0.06 0.80 -0.17 0.00 -0.15 0.00 0.00 55.06 55.49 2em3 s HIS 35 Cb 0.19 -4.03 0.25 0.00 1.11 0.00 0.00 32.58 30.09 2em3 s HIS 35 CO 0.72 -1.80 0.62 0.25 -0.85 0.00 0.00 174.74 173.68 2em3 n THR 36 N 6.46 0.00 0.00 1.30 -2.24 -1.26 -4.91 114.28 113.63 2em3 n THR 36 Ca 0.15 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2em3 n THR 36 Cb 0.47 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 2em3 n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2em3 n GLY 37 N 1.61 0.11 3.45 3.38 0.00 -1.26 -5.09 105.19 107.39 2em3 n GLY 37 Ca 0.03 -0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 2em3 n GLY 37 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2em3 n GLU 38 N 0.00 0.10 -3.66 1.61 2.13 -1.26 -4.85 120.64 114.71 2em3 n GLU 38 Ca 0.00 0.01 -0.11 0.00 0.66 0.00 0.00 57.16 57.72 2em3 n GLU 38 Cb 0.00 -1.66 -0.08 0.00 0.27 0.00 0.00 31.44 29.97 2em3 n GLU 38 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2em3 s LYS 39 N 8.25 0.67 0.07 5.31 1.02 -1.26 -5.05 119.74 128.75 2em3 s LYS 39 Ca 1.29 1.00 -0.18 0.00 0.02 0.00 0.00 55.97 58.11 2em3 s LYS 39 Cb -1.23 0.21 -0.11 0.00 -0.52 0.00 0.00 37.83 36.18 2em3 s LYS 39 CO 0.51 -0.12 1.38 -1.00 -0.92 0.00 0.00 175.35 175.20 2em3 h PRO 40 N 6.21 0.53 0.00 -1.68 0.13 -2.05 -3.38 132.00 131.76 2em3 h PRO 40 Ca -0.30 -0.28 -0.38 0.00 -0.87 0.00 0.00 66.00 64.17 2em3 h PRO 40 Cb 1.19 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 2em3 h PRO 40 CO 0.16 0.86 -2.29 -1.13 -0.23 0.00 0.00 178.00 175.37 2em3 n SER 41 N -4.41 1.81 0.00 1.44 3.41 -1.26 -5.11 113.62 109.51 2em3 n SER 41 Ca -0.05 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2em3 n SER 41 Cb 0.41 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2em3 n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2em3 n GLY 42 N 1.77 -2.30 0.24 5.00 0.00 -1.26 -4.52 105.19 104.12 2em3 n GLY 42 Ca -0.44 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 43.91 2em3 n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2em3 h PRO 43 N 0.00 0.83 -5.49 1.61 0.13 -1.98 -3.45 132.00 123.66 2em3 h PRO 43 Ca 0.00 -0.44 -0.48 0.00 -0.87 0.00 0.00 66.00 64.22 2em3 h PRO 43 Cb 0.00 0.02 -0.25 0.00 0.13 0.00 0.00 31.00 30.90 2em3 h PRO 43 CO 0.00 1.07 -0.80 0.45 -0.23 0.00 0.00 178.00 178.49 2em3 s SER 44 N -6.70 1.84 0.83 1.44 0.15 -1.26 -5.14 113.70 104.86 2em3 s SER 44 Ca -0.12 -0.47 -0.11 0.00 0.70 0.00 0.00 55.95 55.96 2em3 s SER 44 Cb 0.10 -0.13 0.09 0.00 -1.71 0.00 0.00 66.02 64.37 2em3 s SER 44 CO 0.86 0.07 1.14 -0.44 1.20 0.00 0.00 173.24 176.06 2em3 s SER 45 N -1.12 3.71 0.00 5.45 0.01 -1.26 -5.06 113.70 115.43 2em3 s SER 45 Ca 0.03 2.11 0.00 0.00 1.31 0.00 0.00 55.95 59.40 2em3 s SER 45 Cb -0.08 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2em3 s SER 45 CO 0.01 -2.57 0.00 0.61 0.41 0.00 0.00 173.24 171.70