#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em3 h SER 2 N 0.00 -0.97 -2.77 1.61 0.02 -2.15 -3.44 113.55 105.85 2em3 h SER 2 Ca 0.00 0.03 -0.59 0.00 -0.84 0.00 0.00 61.79 60.39 2em3 h SER 2 Cb 0.00 0.25 0.15 0.00 0.14 0.00 0.00 62.40 62.94 2em3 h SER 2 CO 0.00 -0.63 -0.21 -0.24 -1.14 0.00 0.00 176.83 174.61 2em3 n SER 3 N -5.42 -0.21 -2.74 3.07 2.88 -1.26 -4.97 113.62 104.97 2em3 n SER 3 Ca -0.14 0.90 -0.08 0.00 -1.33 0.00 0.00 58.87 58.21 2em3 n SER 3 Cb 0.45 -1.21 0.06 0.00 -0.75 0.00 0.00 64.21 62.76 2em3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2em3 n GLY 4 N 1.58 0.17 2.86 0.46 0.00 -1.26 -5.12 105.19 103.88 2em3 n GLY 4 Ca 0.11 0.12 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.56 0.58 -0.27 1.61 1.04 -1.26 -5.12 113.70 108.73 2em3 s SER 5 Ca 0.29 0.34 -0.02 0.00 0.48 0.00 0.00 55.95 57.04 2em3 s SER 5 Cb 0.25 0.27 0.09 0.00 0.10 0.00 0.00 66.02 66.72 2em3 s SER 5 CO -0.19 -0.23 0.07 -0.55 0.98 0.00 0.00 173.24 173.33 2em3 s SER 6 N 2.09 3.63 -0.11 7.02 0.15 -1.26 -4.98 113.70 120.24 2em3 s SER 6 Ca 0.01 -1.33 -0.02 0.00 0.70 0.00 0.00 55.95 55.31 2em3 s SER 6 Cb -0.12 -0.75 0.01 0.00 -1.71 0.00 0.00 66.02 63.45 2em3 s SER 6 CO -0.06 -0.37 0.05 0.61 1.20 0.00 0.00 173.24 174.67 2em3 n GLY 7 N 4.94 -2.04 3.05 9.45 0.00 -1.26 -5.01 105.19 114.32 2em3 n GLY 7 Ca -0.05 0.47 -0.25 0.00 0.00 0.00 0.00 46.02 46.19 2em3 n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2em3 s THR 8 N -0.83 1.19 0.01 2.61 -4.23 -1.26 -5.14 115.64 107.99 2em3 s THR 8 Ca -0.06 -0.53 0.01 0.00 -1.18 0.00 0.00 61.69 59.93 2em3 s THR 8 Cb 0.00 -1.07 -0.01 0.00 1.34 0.00 0.00 72.50 72.77 2em3 s THR 8 CO 0.34 0.36 -0.05 -0.83 -0.54 0.00 0.00 174.62 173.90 2em3 s GLY 9 N 0.48 0.29 -0.51 3.99 0.00 -1.26 -5.04 107.32 105.27 2em3 s GLY 9 Ca -0.11 -0.37 0.02 0.00 0.00 0.00 0.00 44.72 44.25 2em3 s GLY 9 CO 0.03 -0.37 1.84 1.18 0.00 0.00 0.00 173.10 175.78 2em3 n GLU 10 N 2.45 2.54 -3.23 2.90 1.02 -1.26 -4.92 120.64 120.14 2em3 n GLU 10 Ca -0.16 -3.28 -0.44 0.00 -0.02 0.00 0.00 57.16 53.25 2em3 n GLU 10 Cb 0.57 -2.19 -0.07 0.00 -0.02 0.00 0.00 31.44 29.73 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 -3.57 3.07 0.00 3.49 3.01 -1.26 -4.91 119.74 119.58 2em3 s LYS 11 Ca 0.58 -1.05 0.15 0.00 -1.01 0.00 0.00 55.97 54.64 2em3 s LYS 11 Cb 0.48 -4.12 0.74 0.00 -1.01 0.00 0.00 37.83 33.93 2em3 s LYS 11 CO 0.03 -1.17 1.41 -0.35 0.51 0.00 0.00 175.35 175.78 2em3 n PRO 12 N 5.87 0.21 -3.76 -1.68 -0.04 -1.26 -4.44 135.00 129.89 2em3 n PRO 12 Ca -0.09 0.15 -0.27 0.00 -0.04 0.00 0.00 63.50 63.25 2em3 n PRO 12 Cb 0.45 -1.50 -0.17 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 -2.58 1.09 -0.00 0.54 2.02 -1.26 -5.08 117.35 112.08 2em3 s TYR 13 Ca 0.14 -0.83 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 2em3 s TYR 13 Cb 0.10 -1.04 0.00 0.00 -0.40 0.00 0.00 41.96 40.62 2em3 s TYR 13 CO 0.23 -0.58 -0.01 -2.00 -1.57 0.00 0.00 175.55 171.62 2em3 s GLU 14 N 1.84 0.10 0.61 -0.62 -6.30 -1.26 -1.51 118.70 111.55 2em3 s GLU 14 Ca -0.00 -0.01 -0.08 0.00 -2.50 0.00 0.00 54.97 52.37 2em3 s GLU 14 Cb -0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 34.13 33.82 2em3 s GLU 14 CO -0.07 -0.00 0.96 0.00 0.02 0.00 0.00 175.26 176.16 2em3 n LYS 16 N -2.67 0.81 -0.02 0.00 4.76 -1.26 -3.52 118.16 116.26 2em3 n LYS 16 Ca 0.05 -0.05 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 2em3 n LYS 16 Cb 0.56 -1.17 -0.10 0.00 -1.84 0.00 0.00 35.03 32.49 2em3 n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2em3 h VAL 17 N 0.00 1.32 -0.18 -0.18 2.07 -1.97 -3.36 116.25 113.94 2em3 h VAL 17 Ca -0.04 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.86 2em3 h VAL 17 Cb 0.56 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2em3 h VAL 17 CO 0.00 0.38 0.00 0.00 0.02 0.00 0.00 177.57 177.98 2em3 n SER 19 N -0.19 -2.67 -4.64 0.00 2.88 -1.23 -4.86 113.62 102.91 2em3 n SER 19 Ca 0.10 0.25 -0.43 0.00 -1.33 0.00 0.00 58.87 57.46 2em3 n SER 19 Cb 0.46 -2.46 -0.02 0.00 -0.75 0.00 0.00 64.21 61.44 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 -3.95 4.07 0.19 -1.46 2.20 -1.26 -4.67 119.74 114.87 2em3 s LYS 20 Ca 0.00 1.05 -0.06 0.00 -0.36 0.00 0.00 55.97 56.60 2em3 s LYS 20 Cb 0.00 -3.73 -0.06 0.00 -1.51 0.00 0.00 37.83 32.53 2em3 s LYS 20 CO 0.00 -0.87 0.46 0.00 -0.36 0.00 0.00 175.35 174.58 2em3 s ALA 21 N 3.57 3.70 0.24 3.13 0.00 -1.26 -1.40 121.76 129.73 2em3 s ALA 21 Ca 0.44 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.95 2em3 s ALA 21 Cb -0.12 -2.24 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 2em3 s ALA 21 CO 0.14 0.55 0.01 -0.06 0.00 0.00 0.00 175.76 176.41 2em3 s PHE 22 N -1.78 1.56 -0.14 0.00 0.08 -0.57 -4.99 117.98 112.14 2em3 s PHE 22 Ca 0.43 -0.97 0.08 0.00 0.12 0.00 0.00 56.93 56.60 2em3 s PHE 22 Cb -0.12 -0.92 -0.23 0.00 -0.57 0.00 0.00 43.02 41.19 2em3 s PHE 22 CO 0.25 -0.09 0.27 -2.37 -0.10 0.00 0.00 175.22 173.18 2em3 n THR 23 N -0.43 1.56 -5.01 0.64 5.66 -1.26 -4.34 114.28 111.10 2em3 n THR 23 Ca -0.04 -0.75 -0.28 0.00 -3.05 0.00 0.00 64.05 59.93 2em3 n THR 23 Cb 0.64 -1.08 -0.16 0.00 -1.55 0.00 0.00 70.33 68.18 2em3 n THR 23 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2em3 s GLN 24 N -2.54 2.09 0.40 1.09 -1.52 -1.26 -4.92 119.66 112.99 2em3 s GLN 24 Ca -0.15 -0.73 0.17 0.00 -1.95 0.00 0.00 55.36 52.70 2em3 s GLN 24 Cb 0.07 -1.80 1.07 0.00 -0.22 0.00 0.00 33.01 32.13 2em3 s GLN 24 CO 0.78 0.30 1.79 1.57 -0.25 0.00 0.00 175.29 179.48 2em3 h LYS 25 N 6.17 0.41 -0.94 2.91 5.09 -1.97 0.85 116.57 129.09 2em3 h LYS 25 Ca -0.32 -0.02 0.19 0.00 0.09 0.00 0.00 60.65 60.59 2em3 h LYS 25 Cb 1.17 -0.09 -0.11 0.00 0.10 0.00 0.00 32.23 33.30 2em3 h LYS 25 CO 0.47 0.27 0.51 0.00 -2.09 0.00 0.00 179.45 178.62 2em3 h ALA 26 N 1.62 1.53 -0.21 0.07 0.00 -1.99 0.25 119.26 120.53 2em3 h ALA 26 Ca 0.56 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.54 2em3 h ALA 26 Cb 1.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2em3 h ALA 26 CO -0.27 -0.16 -0.02 0.45 0.00 0.00 0.00 179.25 179.25 2em3 h HIS 27 N 0.62 0.42 0.60 0.00 3.86 -1.25 -2.25 115.15 117.15 2em3 h HIS 27 Ca 0.55 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.65 2em3 h HIS 27 Cb 0.92 -0.11 0.01 0.00 1.06 0.00 0.00 27.41 29.29 2em3 h HIS 27 CO -0.06 0.60 -0.29 1.25 0.86 0.00 0.00 177.93 180.29 2em3 h LEU 28 N 0.13 -0.68 -1.19 2.43 5.85 -1.10 -1.34 115.31 119.41 2em3 h LEU 28 Ca 0.06 -0.02 0.23 0.00 0.84 0.00 0.00 57.88 58.99 2em3 h LEU 28 Cb 0.44 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.54 2em3 h LEU 28 CO 0.01 -0.40 0.63 0.00 -0.34 0.00 0.00 178.44 178.34 2em3 h ALA 29 N -0.59 1.95 0.00 1.25 0.00 -0.63 0.96 119.26 122.20 2em3 h ALA 29 Ca -0.08 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2em3 h ALA 29 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2em3 h ALA 29 CO 0.13 -0.35 0.00 1.96 0.00 0.00 0.00 179.25 181.00 2em3 h GLN 30 N 0.56 0.00 0.00 0.00 1.08 -1.18 -3.23 115.11 112.33 2em3 h GLN 30 Ca 0.58 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.78 2em3 h GLN 30 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 2em3 h GLN 30 CO -0.35 0.00 -0.46 1.58 -0.95 0.00 0.00 178.83 178.65 2em3 n HIS 31 N -2.83 0.62 -0.30 2.96 -0.00 0.29 -4.40 115.22 111.56 2em3 n HIS 31 Ca 0.03 0.27 0.13 0.00 0.46 0.00 0.00 57.72 58.61 2em3 n HIS 31 Cb 0.41 -0.62 0.25 0.00 -0.12 0.00 0.00 29.99 29.91 2em3 n HIS 31 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2em3 n GLN 32 N -4.10 -0.07 -0.29 1.57 1.13 0.14 0.47 117.38 116.23 2em3 n GLN 32 Ca -0.06 1.30 0.12 0.00 -1.94 0.00 0.00 57.00 56.41 2em3 n GLN 32 Cb 0.24 -2.06 0.24 0.00 0.11 0.00 0.00 30.24 28.77 2em3 n GLN 32 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 2em3 n LYS 33 N -5.25 -0.07 -0.03 -1.09 2.85 -1.22 0.10 118.16 113.45 2em3 n LYS 33 Ca 0.20 1.26 -0.08 0.00 -1.05 0.00 0.00 58.31 58.64 2em3 n LYS 33 Cb 0.66 -2.00 -0.03 0.00 -0.65 0.00 0.00 35.03 33.02 2em3 n LYS 33 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2em3 h THR 34 N 0.00 0.71 -2.86 0.58 1.35 -0.22 -3.42 112.91 109.04 2em3 h THR 34 Ca 0.51 0.00 -0.58 0.00 -0.55 0.00 0.00 66.41 65.79 2em3 h THR 34 Cb 1.04 0.71 0.09 0.00 -1.73 0.00 0.00 68.15 68.26 2em3 h THR 34 CO -0.79 0.00 0.58 1.41 -0.25 0.00 0.00 175.52 176.47 2em3 n HIS 35 N -5.24 2.20 -1.79 4.73 8.25 0.29 -4.85 115.22 118.80 2em3 n HIS 35 Ca -0.02 0.47 -0.43 0.00 -0.26 0.00 0.00 57.72 57.47 2em3 n HIS 35 Cb 0.16 -2.45 -0.03 0.00 1.12 0.00 0.00 29.99 28.80 2em3 n HIS 35 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2em3 s THR 36 N -0.36 3.24 -0.35 1.59 -1.32 -1.26 -4.78 115.64 112.40 2em3 s THR 36 Ca 0.64 0.26 0.12 0.00 -1.21 0.00 0.00 61.69 61.50 2em3 s THR 36 Cb -0.62 -3.27 0.40 0.00 -1.51 0.00 0.00 72.50 67.49 2em3 s THR 36 CO 0.53 -0.14 1.50 0.61 -2.21 0.00 0.00 174.62 174.91 2em3 n GLY 37 N 5.27 1.86 3.35 6.08 0.00 -1.26 -5.14 105.19 115.36 2em3 n GLY 37 Ca 0.25 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 0.14 0.99 -0.06 1.61 -1.05 -1.26 -5.15 118.70 113.91 2em3 s GLU 38 Ca 0.11 -0.37 -0.05 0.00 -0.15 0.00 0.00 54.97 54.52 2em3 s GLU 38 Cb 0.43 0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 34.53 2em3 s GLU 38 CO -0.12 -0.35 0.15 0.15 0.95 0.00 0.00 175.26 176.04 2em3 s LYS 39 N -2.67 3.41 1.19 -4.83 1.02 -1.26 -5.11 119.74 111.49 2em3 s LYS 39 Ca -0.04 -0.24 -0.19 0.00 0.02 0.00 0.00 55.97 55.52 2em3 s LYS 39 Cb -0.00 -3.12 0.28 0.00 -0.52 0.00 0.00 37.83 34.47 2em3 s LYS 39 CO -0.04 0.72 1.11 -1.25 -0.92 0.00 0.00 175.35 174.97 2em3 s PRO 40 N -1.48 -1.10 0.53 -1.68 0.04 -1.26 -5.08 135.00 124.97 2em3 s PRO 40 Ca 0.21 -0.02 0.08 0.00 0.04 0.00 0.00 61.00 61.32 2em3 s PRO 40 Cb -0.12 -1.61 0.05 0.00 0.04 0.00 0.00 34.50 32.87 2em3 s PRO 40 CO 0.11 -3.64 0.65 0.45 0.04 0.00 0.00 177.00 174.61 2em3 s SER 41 N -3.85 5.12 0.21 6.66 0.15 -1.26 -5.13 113.70 115.60 2em3 s SER 41 Ca 0.70 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 56.53 2em3 s SER 41 Cb -0.10 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2em3 s SER 41 CO 0.56 -1.13 0.00 0.61 1.20 0.00 0.00 173.24 174.48 2em3 n GLY 42 N -2.02 -0.98 0.21 9.45 0.00 -1.26 -4.97 105.19 105.62 2em3 n GLY 42 Ca 0.10 -1.61 -0.06 0.00 0.00 0.00 0.00 46.02 44.45 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 0.43 -5.89 1.61 0.13 -2.00 -3.45 132.00 122.83 2em3 h PRO 43 Ca 0.00 -0.23 -0.55 0.00 -0.87 0.00 0.00 66.00 64.36 2em3 h PRO 43 Cb 0.00 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.00 2em3 h PRO 43 CO 0.00 0.79 -0.73 -1.12 -0.23 0.00 0.00 178.00 176.71 2em3 s SER 44 N -6.87 3.18 0.20 1.44 0.01 -1.26 -5.10 113.70 105.30 2em3 s SER 44 Ca -0.06 -1.07 -0.32 0.00 1.31 0.00 0.00 55.95 55.82 2em3 s SER 44 Cb 0.12 -0.24 -0.12 0.00 0.21 0.00 0.00 66.02 66.00 2em3 s SER 44 CO 0.81 -0.10 1.73 -0.94 0.41 0.00 0.00 173.24 175.14 2em3 s SER 45 N -3.45 6.40 0.00 2.44 1.04 -1.26 -5.08 113.70 113.79 2em3 s SER 45 Ca 0.28 2.84 0.00 0.00 0.48 0.00 0.00 55.95 59.55 2em3 s SER 45 Cb -0.02 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2em3 s SER 45 CO 0.12 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.98