#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em6 n SER 2 N 0.00 -0.34 -4.78 1.61 3.41 -1.26 -4.83 113.62 107.44 2em6 n SER 2 Ca 0.00 -0.91 -0.35 0.00 -0.26 0.00 0.00 58.87 57.35 2em6 n SER 2 Cb 0.00 -1.15 -0.01 0.00 -0.26 0.00 0.00 64.21 62.79 2em6 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2em6 s SER 3 N -3.29 6.01 -0.51 4.04 0.01 -1.26 -5.02 113.70 113.67 2em6 s SER 3 Ca 0.31 2.13 0.05 0.00 1.31 0.00 0.00 55.95 59.75 2em6 s SER 3 Cb -0.18 -2.58 0.18 0.00 0.21 0.00 0.00 66.02 63.65 2em6 s SER 3 CO 0.73 -1.02 0.42 0.61 0.41 0.00 0.00 173.24 174.39 2em6 n GLY 4 N 0.12 2.89 3.93 3.44 0.00 -1.26 -4.91 105.19 109.40 2em6 n GLY 4 Ca 0.10 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 2em6 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2em6 n SER 5 N 2.39 -0.83 -4.67 1.61 2.88 -1.26 -4.70 113.62 109.03 2em6 n SER 5 Ca 0.26 -1.00 -0.52 0.00 -1.33 0.00 0.00 58.87 56.28 2em6 n SER 5 Cb 0.44 -1.27 -0.06 0.00 -0.75 0.00 0.00 64.21 62.57 2em6 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2em6 n SER 6 N -1.92 2.72 0.00 -3.46 7.64 -1.26 -4.83 113.62 112.50 2em6 n SER 6 Ca -0.01 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.92 2em6 n SER 6 Cb 0.41 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 2em6 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2em6 n GLY 7 N 3.85 2.26 3.74 0.23 0.00 -1.26 -5.15 105.19 108.86 2em6 n GLY 7 Ca 0.22 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 2em6 n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2em6 s MET 8 N -0.48 2.17 0.00 1.61 0.00 -1.26 -4.93 119.30 116.41 2em6 s MET 8 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 55.69 57.08 2em6 s MET 8 Cb 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 34.83 32.96 2em6 s MET 8 CO 0.00 -1.74 0.00 0.41 0.00 0.00 0.00 175.02 173.69 2em6 n GLY 9 N -0.51 -1.40 3.77 3.16 0.00 -1.26 -5.14 105.19 103.80 2em6 n GLY 9 Ca 0.11 0.66 -0.35 0.00 0.00 0.00 0.00 46.02 46.44 2em6 n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2em6 s GLU 10 N 0.40 3.24 -1.16 1.61 2.02 -1.26 -4.96 118.70 118.58 2em6 s GLU 10 Ca 0.00 1.58 -0.12 0.00 0.02 0.00 0.00 54.97 56.46 2em6 s GLU 10 Cb 0.00 -1.99 0.22 0.00 0.10 0.00 0.00 34.13 32.46 2em6 s GLU 10 CO 0.00 -0.94 1.29 -1.59 0.02 0.00 0.00 175.26 174.04 2em6 s LYS 11 N -3.43 4.14 -1.08 1.61 0.00 -1.26 -4.96 119.74 114.76 2em6 s LYS 11 Ca 0.72 -2.86 -0.23 0.00 0.00 0.00 0.00 55.97 53.60 2em6 s LYS 11 Cb -0.24 -4.84 -0.05 0.00 0.00 0.00 0.00 37.83 32.70 2em6 s LYS 11 CO 0.30 -1.54 1.89 0.00 0.00 0.00 0.00 175.35 176.00 2em6 n TYR 13 N 13.30 0.21 -4.24 0.00 4.02 -1.08 -4.70 117.16 124.67 2em6 n TYR 13 Ca 0.43 0.97 -0.18 0.00 -0.01 0.00 0.00 57.90 59.11 2em6 n TYR 13 Cb 0.47 -2.05 -0.13 0.00 -0.02 0.00 0.00 39.34 37.61 2em6 n TYR 13 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 2em6 s LYS 14 N -0.51 0.79 -0.35 -0.72 2.20 -1.26 -0.70 119.74 119.19 2em6 s LYS 14 Ca 0.77 -0.76 -0.19 0.00 -0.36 0.00 0.00 55.97 55.43 2em6 s LYS 14 Cb -1.07 -0.75 -0.00 0.00 -1.51 0.00 0.00 37.83 34.51 2em6 s LYS 14 CO 0.56 0.18 0.55 0.00 -0.36 0.00 0.00 175.35 176.28 2em6 n ASP 16 N 5.83 5.63 0.00 0.00 9.92 -1.26 -2.51 116.55 134.16 2em6 n ASP 16 Ca -0.04 -2.67 0.00 0.00 -0.53 0.00 0.00 54.79 51.55 2em6 n ASP 16 Cb 0.49 -1.05 0.00 0.00 -0.64 0.00 0.00 41.12 39.91 2em6 n ASP 16 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2em6 n VAL 17 N 0.92 0.00 -0.01 2.53 0.31 -1.26 -4.95 118.33 115.87 2em6 n VAL 17 Ca 0.13 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.45 2em6 n VAL 17 Cb 0.55 -1.01 -0.01 0.00 -0.91 0.00 0.00 33.84 32.47 2em6 n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2em6 n GLY 19 N 3.36 0.97 3.81 0.00 0.00 -1.04 -5.10 105.19 107.19 2em6 n GLY 19 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 2em6 n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2em6 s LYS 20 N 0.05 2.67 -0.03 1.61 2.20 -1.24 -4.90 119.74 120.09 2em6 s LYS 20 Ca 0.00 -1.31 -0.01 0.00 -0.36 0.00 0.00 55.97 54.29 2em6 s LYS 20 Cb 0.00 -2.42 0.03 0.00 -1.51 0.00 0.00 37.83 33.93 2em6 s LYS 20 CO 0.00 0.16 0.06 -1.21 -0.36 0.00 0.00 175.35 174.01 2em6 s GLU 21 N -3.92 0.02 0.23 4.03 2.02 -1.26 -0.11 118.70 119.70 2em6 s GLU 21 Ca 0.38 0.21 0.09 0.00 0.02 0.00 0.00 54.97 55.68 2em6 s GLU 21 Cb -0.06 -0.17 -0.05 0.00 0.10 0.00 0.00 34.13 33.96 2em6 s GLU 21 CO 0.25 -0.13 -0.17 -0.06 0.02 0.00 0.00 175.26 175.17 2em6 s PHE 22 N 0.87 1.95 -0.01 1.61 0.40 0.13 -5.00 117.98 117.92 2em6 s PHE 22 Ca -0.07 -0.47 -0.20 0.00 -0.60 0.00 0.00 56.93 55.59 2em6 s PHE 22 Cb -0.10 -0.88 -0.32 0.00 0.51 0.00 0.00 43.02 42.24 2em6 s PHE 22 CO -0.03 0.50 0.96 1.03 0.70 0.00 0.00 175.22 178.37 2em6 h SER 23 N 2.50 0.61 -1.06 1.36 0.87 -1.93 -2.86 113.55 113.04 2em6 h SER 23 Ca -0.39 -0.92 -0.51 0.00 -1.23 0.00 0.00 61.79 58.74 2em6 h SER 23 Cb 1.23 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 2em6 h SER 23 CO 0.60 1.47 -0.28 -1.10 -0.53 0.00 0.00 176.83 177.00 2em6 s GLN 24 N -2.60 2.43 -0.15 2.24 -0.21 -1.26 -4.66 119.66 115.45 2em6 s GLN 24 Ca -0.12 -1.68 -0.27 0.00 0.02 0.00 0.00 55.36 53.31 2em6 s GLN 24 Cb 0.02 -2.40 -0.24 0.00 1.00 0.00 0.00 33.01 31.40 2em6 s GLN 24 CO 0.87 -0.48 0.66 0.66 -2.12 0.00 0.00 175.29 174.87 2em6 h SER 25 N 0.71 0.00 -0.99 5.90 4.64 -1.94 -3.33 113.55 118.53 2em6 h SER 25 Ca -0.37 -0.89 0.22 0.00 -0.47 0.00 0.00 61.79 60.28 2em6 h SER 25 Cb 1.28 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.26 2em6 h SER 25 CO 0.52 1.06 0.59 -1.28 -0.87 0.00 0.00 176.83 176.85 2em6 h SER 26 N -1.00 0.70 0.10 4.97 0.87 -1.99 -1.14 113.55 116.06 2em6 h SER 26 Ca -0.06 0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 2em6 h SER 26 Cb 1.02 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.94 2em6 h SER 26 CO -0.03 0.17 -0.36 0.45 -0.53 0.00 0.00 176.83 176.53 2em6 h HIS 27 N 0.65 -0.99 0.38 2.24 3.86 -1.99 -1.12 115.15 118.18 2em6 h HIS 27 Ca 0.61 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.83 2em6 h HIS 27 Cb 1.07 0.42 0.00 0.00 1.06 0.00 0.00 27.41 29.96 2em6 h HIS 27 CO -0.01 -0.46 -0.20 1.25 0.86 0.00 0.00 177.93 179.37 2em6 h LEU 28 N -0.58 -0.47 -0.94 2.43 5.85 -1.37 -2.27 115.31 117.97 2em6 h LEU 28 Ca 0.03 0.02 0.28 0.00 0.84 0.00 0.00 57.88 59.05 2em6 h LEU 28 Cb 0.62 0.13 -0.15 0.00 0.37 0.00 0.00 40.66 41.63 2em6 h LEU 28 CO -0.22 -0.33 0.37 1.56 -0.34 0.00 0.00 178.44 179.48 2em6 h GLN 29 N -0.53 0.24 -0.08 1.25 7.50 -1.08 0.14 115.11 122.55 2em6 h GLN 29 Ca -0.05 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.08 2em6 h GLN 29 Cb 0.42 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 27.89 2em6 h GLN 29 CO 0.07 0.16 0.02 1.15 -1.50 0.00 0.00 178.83 178.73 2em6 h THR 30 N 0.25 1.20 -0.67 -0.54 2.02 -0.84 -3.08 112.91 111.26 2em6 h THR 30 Ca 0.63 -0.63 0.13 0.00 0.77 0.00 0.00 66.41 67.32 2em6 h THR 30 Cb 1.37 1.47 -0.09 0.00 -1.74 0.00 0.00 68.15 69.15 2em6 h THR 30 CO -0.65 0.18 0.18 -0.74 0.37 0.00 0.00 175.52 174.86 2em6 h HIS 31 N -0.09 0.30 -0.87 3.16 -0.00 -0.18 0.15 115.15 117.62 2em6 h HIS 31 Ca 0.03 0.04 0.25 0.00 -0.00 0.00 0.00 60.37 60.68 2em6 h HIS 31 Cb 0.26 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.61 2em6 h HIS 31 CO 0.01 -0.01 0.94 1.96 -0.00 0.00 0.00 177.93 180.82 2em6 h GLN 32 N 0.31 0.00 -1.02 5.26 4.20 -1.21 0.24 115.11 122.90 2em6 h GLN 32 Ca 0.36 0.00 0.25 0.00 0.06 0.00 0.00 58.65 59.32 2em6 h GLN 32 Cb 0.55 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.23 2em6 h GLN 32 CO -0.42 0.00 0.64 0.00 -0.67 0.00 0.00 178.83 178.38 2em6 h ARG 33 N 0.00 0.47 -0.23 1.46 2.47 -0.79 0.52 114.38 118.28 2em6 h ARG 33 Ca 0.41 -0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 59.05 2em6 h ARG 33 Cb 2.28 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 30.48 2em6 h ARG 33 CO -0.00 0.31 -0.11 -0.39 0.56 0.00 0.00 179.97 180.34 2em6 h VAL 34 N 0.49 1.20 0.00 2.04 -1.51 -0.71 -2.59 116.25 115.17 2em6 h VAL 34 Ca 0.59 -0.89 -0.18 0.00 -1.23 0.00 0.00 66.70 65.00 2em6 h VAL 34 Cb 1.33 1.16 -0.03 0.00 -2.13 0.00 0.00 31.29 31.62 2em6 h VAL 34 CO -0.33 0.29 -0.91 0.45 -1.23 0.00 0.00 177.57 175.83 2em6 h HIS 35 N 0.35 0.00 -1.41 5.19 3.86 -0.23 -3.46 115.15 119.44 2em6 h HIS 35 Ca 0.07 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.83 2em6 h HIS 35 Cb 0.42 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2em6 h HIS 35 CO 0.01 0.78 -0.29 -0.08 0.86 0.00 0.00 177.93 179.21 2em6 s THR 36 N -2.81 2.80 0.00 2.45 -1.32 0.10 -4.83 115.64 112.02 2em6 s THR 36 Ca 0.01 -1.13 0.00 0.00 -1.21 0.00 0.00 61.69 59.36 2em6 s THR 36 Cb 0.09 -2.93 0.00 0.00 -1.51 0.00 0.00 72.50 68.15 2em6 s THR 36 CO 0.79 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.81 2em6 n GLY 37 N -1.76 1.41 2.34 6.08 0.00 -1.26 -4.80 105.19 107.20 2em6 n GLY 37 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2em6 n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2em6 n GLU 38 N -0.28 2.52 -2.72 1.61 -0.58 -1.26 -4.82 120.64 115.11 2em6 n GLU 38 Ca 0.00 -2.95 -0.10 0.00 -0.42 0.00 0.00 57.16 53.69 2em6 n GLU 38 Cb 0.00 -2.15 0.05 0.00 -0.57 0.00 0.00 31.44 28.77 2em6 n GLU 38 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2em6 n LYS 39 N -0.53 -2.73 -1.16 3.49 4.81 -1.26 -5.02 118.16 115.75 2em6 n LYS 39 Ca 0.55 0.52 -0.29 0.00 -0.87 0.00 0.00 58.31 58.23 2em6 n LYS 39 Cb 0.58 -4.35 0.18 0.00 0.02 0.00 0.00 35.03 31.45 2em6 n LYS 39 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2em6 s PRO 40 N -4.35 0.36 -0.94 1.64 0.04 -1.26 -4.89 135.00 125.59 2em6 s PRO 40 Ca 0.14 0.50 -0.24 0.00 0.04 0.00 0.00 61.00 61.43 2em6 s PRO 40 Cb -0.02 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 2em6 s PRO 40 CO 0.45 -2.78 1.82 -1.12 0.04 0.00 0.00 177.00 175.41 2em6 s SER 41 N -3.46 5.49 0.00 6.66 0.01 -1.26 -4.09 113.70 117.06 2em6 s SER 41 Ca 0.65 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 57.01 2em6 s SER 41 Cb -0.19 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2em6 s SER 41 CO 0.58 -2.43 0.00 0.61 0.41 0.00 0.00 173.24 172.41 2em6 n GLY 42 N 6.83 0.82 1.65 3.44 0.00 -1.26 -5.14 105.19 111.53 2em6 n GLY 42 Ca 0.39 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 2em6 n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2em6 n PRO 43 N 0.00 -2.03 -1.77 1.61 -0.04 -1.26 -5.05 135.00 126.46 2em6 n PRO 43 Ca 0.00 -0.82 -0.29 0.00 -0.04 0.00 0.00 63.50 62.34 2em6 n PRO 43 Cb 0.00 -0.77 0.14 0.00 -0.04 0.00 0.00 33.50 32.83 2em6 n PRO 43 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2em6 s SER 44 N -2.90 3.57 -1.15 3.54 0.01 -1.26 -4.96 113.70 110.56 2em6 s SER 44 Ca 0.33 0.64 -0.17 0.00 1.31 0.00 0.00 55.95 58.07 2em6 s SER 44 Cb -0.03 -0.98 0.13 0.00 0.21 0.00 0.00 66.02 65.34 2em6 s SER 44 CO 0.26 -2.48 1.44 -0.94 0.41 0.00 0.00 173.24 171.92 2em6 s SER 45 N -4.51 6.86 0.00 2.44 1.04 -1.26 -5.28 113.70 112.99 2em6 s SER 45 Ca 0.67 -2.50 0.00 0.00 0.48 0.00 0.00 55.95 54.60 2em6 s SER 45 Cb -0.09 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2em6 s SER 45 CO 0.52 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.35