#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em4 s SER 2 N 0.00 -0.77 0.02 1.61 1.04 -1.26 -5.06 113.70 109.29 2em4 s SER 2 Ca 0.00 1.30 -0.00 0.00 0.48 0.00 0.00 55.95 57.72 2em4 s SER 2 Cb 0.00 1.51 -0.00 0.00 0.10 0.00 0.00 66.02 67.63 2em4 s SER 2 CO 0.00 -0.22 -0.01 -0.24 0.98 0.00 0.00 173.24 173.75 2em4 n SER 3 N 4.85 0.40 -3.03 7.02 2.88 -1.26 -4.96 113.62 119.51 2em4 n SER 3 Ca -0.16 0.05 -0.17 0.00 -1.33 0.00 0.00 58.87 57.26 2em4 n SER 3 Cb 0.53 -0.13 -0.01 0.00 -0.75 0.00 0.00 64.21 63.86 2em4 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2em4 n GLY 4 N 3.10 2.20 1.23 0.46 0.00 -1.26 -4.93 105.19 106.00 2em4 n GLY 4 Ca -0.01 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2em4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2em4 n SER 5 N 0.94 0.31 -4.59 1.61 7.64 -1.26 -5.03 113.62 113.24 2em4 n SER 5 Ca 0.18 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.64 2em4 n SER 5 Cb 0.62 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.79 2em4 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2em4 s SER 6 N -4.49 5.24 1.34 6.43 1.04 -1.26 -4.95 113.70 117.05 2em4 s SER 6 Ca 0.00 1.68 -0.22 0.00 0.48 0.00 0.00 55.95 57.89 2em4 s SER 6 Cb 0.00 -2.51 0.34 0.00 0.10 0.00 0.00 66.02 63.95 2em4 s SER 6 CO 0.00 -2.16 1.01 -0.83 0.98 0.00 0.00 173.24 172.25 2em4 s GLY 7 N 9.07 1.49 -0.09 7.32 0.00 -1.26 -5.05 107.32 118.80 2em4 s GLY 7 Ca 0.99 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 44.78 2em4 s GLY 7 CO 0.33 0.04 -0.11 -1.59 0.00 0.00 0.00 173.10 171.77 2em4 s THR 8 N -2.62 1.15 0.15 0.90 2.01 -1.26 -5.07 115.64 110.90 2em4 s THR 8 Ca 0.70 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.26 2em4 s THR 8 Cb -0.10 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.32 2em4 s THR 8 CO 0.57 0.37 0.00 0.61 -0.69 0.00 0.00 174.62 175.48 2em4 n GLY 9 N 4.21 -2.89 3.13 4.40 0.00 -1.26 -4.93 105.19 107.86 2em4 n GLY 9 Ca -0.19 -1.31 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 2em4 n GLY 9 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2em4 s GLN 10 N -3.60 2.70 0.12 1.61 0.74 -1.26 -5.11 119.66 114.87 2em4 s GLN 10 Ca 0.00 -1.04 -0.18 0.00 0.05 0.00 0.00 55.36 54.19 2em4 s GLN 10 Cb 0.00 -2.80 -0.07 0.00 1.10 0.00 0.00 33.01 31.24 2em4 s GLN 10 CO 0.00 -0.38 0.60 1.03 -0.55 0.00 0.00 175.29 175.99 2em4 s ARG 11 N 1.24 4.17 0.45 1.67 1.81 -1.26 -4.98 118.95 122.05 2em4 s ARG 11 Ca -0.01 0.71 0.24 0.00 -1.72 0.00 0.00 55.73 54.95 2em4 s ARG 11 Cb -0.16 -3.10 1.01 0.00 -0.45 0.00 0.00 34.95 32.25 2em4 s ARG 11 CO -0.08 0.55 1.87 -1.00 -0.68 0.00 0.00 175.30 175.97 2em4 h PRO 12 N 4.07 0.00 -4.40 3.54 0.13 -1.91 -3.40 132.00 130.03 2em4 h PRO 12 Ca -0.49 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 63.91 2em4 h PRO 12 Cb 1.20 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.12 2em4 h PRO 12 CO 0.64 0.23 -0.31 0.71 -0.23 0.00 0.00 178.00 179.04 2em4 s TYR 13 N -3.80 3.23 -0.01 1.56 2.02 -1.26 -5.05 117.35 114.03 2em4 s TYR 13 Ca -0.01 -0.83 0.05 0.00 -0.37 0.00 0.00 57.07 55.92 2em4 s TYR 13 Cb 0.11 -3.10 -0.01 0.00 -0.40 0.00 0.00 41.96 38.56 2em4 s TYR 13 CO 0.63 -0.78 -0.17 -1.21 -1.57 0.00 0.00 175.55 172.45 2em4 s GLU 14 N 1.74 1.43 -0.40 -0.62 2.02 -1.26 -1.31 118.70 120.30 2em4 s GLU 14 Ca 0.05 -0.62 -0.15 0.00 0.02 0.00 0.00 54.97 54.27 2em4 s GLU 14 Cb -0.23 -1.37 0.02 0.00 0.10 0.00 0.00 34.13 32.64 2em4 s GLU 14 CO 0.08 0.37 0.29 0.00 0.02 0.00 0.00 175.26 176.02 2em4 h ILE 16 N 5.61 1.36 -0.99 0.00 2.04 -1.95 1.88 117.51 125.46 2em4 h ILE 16 Ca -0.28 -1.97 0.31 0.00 1.00 0.00 0.00 64.86 63.93 2em4 h ILE 16 Cb 1.12 1.96 -0.15 0.00 -0.74 0.00 0.00 36.82 39.02 2em4 h ILE 16 CO 0.72 0.60 0.54 -0.33 0.00 0.00 0.00 178.15 179.67 2em4 h GLU 17 N 0.30 0.31 0.00 2.37 4.39 -1.99 -3.32 114.58 116.64 2em4 h GLU 17 Ca -0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2em4 h GLU 17 Cb 1.17 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2em4 h GLU 17 CO 0.11 0.21 -0.61 0.00 -1.16 0.00 0.00 179.01 177.56 2em4 n GLY 19 N 2.54 0.87 3.50 0.00 0.00 0.64 -5.07 105.19 107.67 2em4 n GLY 19 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2em4 n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2em4 s LYS 20 N 0.19 2.29 -0.10 1.61 2.47 -1.03 -4.87 119.74 120.31 2em4 s LYS 20 Ca 0.00 -0.85 -0.01 0.00 -1.56 0.00 0.00 55.97 53.55 2em4 s LYS 20 Cb 0.00 -2.32 -0.03 0.00 -1.46 0.00 0.00 37.83 34.02 2em4 s LYS 20 CO 0.00 0.57 -0.06 0.00 0.16 0.00 0.00 175.35 176.02 2em4 s ALA 21 N -0.92 2.97 0.03 3.13 0.00 -1.26 0.04 121.76 125.76 2em4 s ALA 21 Ca 0.15 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.30 2em4 s ALA 21 Cb -0.11 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 2em4 s ALA 21 CO 0.05 0.45 -0.17 -0.06 0.00 0.00 0.00 175.76 176.03 2em4 s PHE 22 N -0.40 1.48 -0.03 0.00 0.40 -0.43 -5.03 117.98 113.98 2em4 s PHE 22 Ca 0.06 -0.35 -0.24 0.00 -0.60 0.00 0.00 56.93 55.80 2em4 s PHE 22 Cb -0.12 -0.89 -0.22 0.00 0.51 0.00 0.00 43.02 42.30 2em4 s PHE 22 CO 0.02 0.05 1.10 -0.22 0.70 0.00 0.00 175.22 176.87 2em4 h LYS 23 N 5.02 0.20 -5.26 0.44 1.63 -1.99 -3.35 116.57 113.26 2em4 h LYS 23 Ca -0.39 -0.18 -0.62 0.00 -0.85 0.00 0.00 60.65 58.60 2em4 h LYS 23 Cb 1.17 0.04 -0.18 0.00 -0.60 0.00 0.00 32.23 32.66 2em4 h LYS 23 CO 0.44 0.87 -0.60 0.95 -3.45 0.00 0.00 179.45 177.66 2em4 s THR 24 N -3.39 4.46 0.35 1.00 -4.23 -1.26 -4.87 115.64 107.70 2em4 s THR 24 Ca -0.15 -0.15 0.15 0.00 -1.18 0.00 0.00 61.69 60.35 2em4 s THR 24 Cb 0.02 -3.00 0.35 0.00 1.34 0.00 0.00 72.50 71.21 2em4 s THR 24 CO 0.74 0.46 1.71 0.50 -0.54 0.00 0.00 174.62 177.50 2em4 h LYS 25 N 6.81 0.41 -0.81 3.99 3.64 -1.98 0.51 116.57 129.14 2em4 h LYS 25 Ca -0.35 -0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.20 2em4 h LYS 25 Cb 1.18 -0.09 -0.14 0.00 -0.41 0.00 0.00 32.23 32.76 2em4 h LYS 25 CO 0.67 0.27 0.01 0.77 -2.27 0.00 0.00 179.45 178.91 2em4 h SER 26 N 0.43 -0.37 -0.40 4.20 0.02 -1.98 0.33 113.55 115.78 2em4 h SER 26 Ca 0.67 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.84 2em4 h SER 26 Cb 1.53 0.37 -0.02 0.00 0.14 0.00 0.00 62.40 64.42 2em4 h SER 26 CO -0.46 -0.21 0.26 0.28 -1.14 0.00 0.00 176.83 175.56 2em4 h SER 27 N 0.09 0.46 -0.77 3.07 0.02 -1.31 -2.17 113.55 112.94 2em4 h SER 27 Ca 0.45 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.33 2em4 h SER 27 Cb 0.82 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 2em4 h SER 27 CO -0.72 0.34 0.28 0.25 -1.14 0.00 0.00 176.83 175.84 2em4 h LEU 28 N 0.53 1.09 -0.96 5.07 5.85 -0.69 0.54 115.31 126.75 2em4 h LEU 28 Ca 0.14 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.72 2em4 h LEU 28 Cb -0.06 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.63 2em4 h LEU 28 CO -0.03 0.98 0.62 0.40 -0.34 0.00 0.00 178.44 180.07 2em4 h ILE 29 N 1.13 1.15 0.01 4.05 2.04 -0.13 0.25 117.51 126.02 2em4 h ILE 29 Ca 0.25 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 2em4 h ILE 29 Cb 0.26 -0.15 0.01 0.00 -0.74 0.00 0.00 36.82 36.19 2em4 h ILE 29 CO -0.02 0.22 -0.28 0.00 0.00 0.00 0.00 178.15 178.07 2em4 h HIS 31 N -0.52 -0.62 -0.78 0.00 -0.00 -0.70 -2.96 115.15 109.57 2em4 h HIS 31 Ca -0.04 -0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.44 2em4 h HIS 31 Cb 1.06 0.23 -0.12 0.00 -0.00 0.00 0.00 27.41 28.58 2em4 h HIS 31 CO 0.19 -0.36 -0.33 0.54 -0.00 0.00 0.00 177.93 177.97 2em4 n ARG 32 N -5.37 -0.21 -0.28 5.26 5.12 0.88 0.18 116.66 122.25 2em4 n ARG 32 Ca -0.10 1.20 0.07 0.00 -1.93 0.00 0.00 57.85 57.09 2em4 n ARG 32 Cb 0.27 -1.78 0.22 0.00 -1.16 0.00 0.00 32.46 30.02 2em4 n ARG 32 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2em4 h ARG 33 N 0.00 0.46 -0.78 5.56 3.08 -1.62 0.89 114.38 121.98 2em4 h ARG 33 Ca 0.25 -0.03 0.23 0.00 0.07 0.00 0.00 59.98 60.50 2em4 h ARG 33 Cb 0.45 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2em4 h ARG 33 CO -0.77 0.31 1.06 1.03 -1.07 0.00 0.00 179.97 180.53 2em4 h SER 34 N 0.48 0.00 -0.90 7.04 0.87 0.20 0.23 113.55 121.47 2em4 h SER 34 Ca 0.46 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.55 2em4 h SER 34 Cb 0.72 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 62.51 2em4 h SER 34 CO -0.42 0.00 0.46 1.41 -0.53 0.00 0.00 176.83 177.74 2em4 n HIS 35 N -3.19 1.73 -0.07 2.24 8.25 0.31 -4.64 115.22 119.85 2em4 n HIS 35 Ca 0.17 -2.03 -0.07 0.00 -0.26 0.00 0.00 57.72 55.53 2em4 n HIS 35 Cb 1.31 -1.24 -0.00 0.00 1.12 0.00 0.00 29.99 31.18 2em4 n HIS 35 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2em4 h THR 36 N 1.60 0.83 0.00 1.59 1.35 -0.75 -3.38 112.91 114.14 2em4 h THR 36 Ca 0.38 -0.04 -0.18 0.00 -0.55 0.00 0.00 66.41 66.02 2em4 h THR 36 Cb 0.77 0.70 -0.15 0.00 -1.73 0.00 0.00 68.15 67.74 2em4 h THR 36 CO 0.90 0.02 -0.28 0.61 -0.25 0.00 0.00 175.52 176.53 2em4 n GLY 37 N -1.21 1.83 3.40 5.82 0.00 -1.26 -5.14 105.19 108.62 2em4 n GLY 37 Ca -0.00 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2em4 n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2em4 n GLU 38 N -1.33 0.30 -3.70 1.61 -0.58 -1.26 -4.98 120.64 110.71 2em4 n GLU 38 Ca -0.15 0.13 -0.30 0.00 -0.42 0.00 0.00 57.16 56.43 2em4 n GLU 38 Cb 0.86 -1.58 -0.13 0.00 -0.57 0.00 0.00 31.44 30.02 2em4 n GLU 38 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2em4 s LYS 39 N -2.14 1.08 0.57 3.49 1.02 -1.26 -5.12 119.74 117.37 2em4 s LYS 39 Ca 0.64 -1.71 -0.19 0.00 0.02 0.00 0.00 55.97 54.73 2em4 s LYS 39 Cb -0.40 -2.18 -0.05 0.00 -0.52 0.00 0.00 37.83 34.68 2em4 s LYS 39 CO 0.60 -1.12 1.13 -1.25 -0.92 0.00 0.00 175.35 173.79 2em4 s PRO 40 N 0.75 3.24 -0.61 -1.68 0.04 -1.26 -4.97 135.00 130.50 2em4 s PRO 40 Ca 0.15 1.57 -0.25 0.00 0.04 0.00 0.00 61.00 62.51 2em4 s PRO 40 Cb -0.22 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.37 2em4 s PRO 40 CO -0.06 -0.93 1.04 -1.12 0.04 0.00 0.00 177.00 175.97 2em4 s SER 41 N -1.94 6.29 0.00 6.66 0.01 -1.26 -4.87 113.70 118.59 2em4 s SER 41 Ca 0.72 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2em4 s SER 41 Cb -0.23 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2em4 s SER 41 CO 0.30 -1.42 0.00 0.61 0.41 0.00 0.00 173.24 173.14 2em4 n GLY 42 N 5.20 1.88 0.25 3.44 0.00 -1.26 -4.86 105.19 109.84 2em4 n GLY 42 Ca 0.02 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.71 2em4 n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2em4 h PRO 43 N 0.00 0.89 -6.15 1.61 0.13 -2.05 -3.46 132.00 122.96 2em4 h PRO 43 Ca 0.00 -0.47 -0.46 0.00 -0.87 0.00 0.00 66.00 64.21 2em4 h PRO 43 Cb 0.00 0.02 -0.25 0.00 0.13 0.00 0.00 31.00 30.89 2em4 h PRO 43 CO 0.00 1.11 -0.67 0.45 -0.23 0.00 0.00 178.00 178.67 2em4 n SER 44 N -4.11 -0.90 -4.77 1.44 2.88 -1.26 -4.80 113.62 102.11 2em4 n SER 44 Ca -0.03 -0.91 -0.40 0.00 -1.33 0.00 0.00 58.87 56.20 2em4 n SER 44 Cb 0.53 -1.16 -0.02 0.00 -0.75 0.00 0.00 64.21 62.82 2em4 n SER 44 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2em4 s SER 45 N -2.92 6.60 0.00 -3.46 0.01 -1.26 -5.20 113.70 107.46 2em4 s SER 45 Ca 0.48 2.64 0.00 0.00 1.31 0.00 0.00 55.95 60.38 2em4 s SER 45 Cb -0.28 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.31 2em4 s SER 45 CO 0.74 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 174.35