#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em3 n SER 2 N 0.00 -1.14 -4.72 1.61 2.88 -1.26 -4.86 113.62 106.14 2em3 n SER 2 Ca 0.00 -1.16 -0.40 0.00 -1.33 0.00 0.00 58.87 55.98 2em3 n SER 2 Cb 0.00 -1.48 -0.05 0.00 -0.75 0.00 0.00 64.21 61.93 2em3 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2em3 s SER 3 N -3.34 6.97 0.31 -3.46 0.01 -1.26 -5.05 113.70 107.87 2em3 s SER 3 Ca 0.61 1.16 0.05 0.00 1.31 0.00 0.00 55.95 59.08 2em3 s SER 3 Cb -0.36 -2.40 -0.03 0.00 0.21 0.00 0.00 66.02 63.44 2em3 s SER 3 CO 0.95 -0.10 0.27 -0.83 0.41 0.00 0.00 173.24 173.94 2em3 s GLY 4 N 0.73 2.13 -1.03 3.44 0.00 -1.26 -5.09 107.32 106.24 2em3 s GLY 4 Ca 0.36 -1.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.06 2em3 s GLY 4 CO 0.18 -1.43 1.16 1.44 0.00 0.00 0.00 173.10 174.45 2em3 n SER 5 N -1.32 5.47 -2.47 1.64 7.64 -1.26 -4.76 113.62 118.56 2em3 n SER 5 Ca 0.06 -3.22 -0.13 0.00 1.01 0.00 0.00 58.87 56.59 2em3 n SER 5 Cb 0.63 -1.23 0.03 0.00 -1.01 0.00 0.00 64.21 62.64 2em3 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2em3 n SER 6 N 1.98 3.14 -4.84 6.43 2.88 -1.26 -5.08 113.62 116.86 2em3 n SER 6 Ca 0.25 -2.91 -0.34 0.00 -1.33 0.00 0.00 58.87 54.54 2em3 n SER 6 Cb 0.37 -0.43 -0.06 0.00 -0.75 0.00 0.00 64.21 63.34 2em3 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2em3 s GLY 7 N -3.64 2.44 0.22 0.46 0.00 -1.26 -5.06 107.32 100.48 2em3 s GLY 7 Ca 0.38 -0.07 -0.26 0.00 0.00 0.00 0.00 44.72 44.78 2em3 s GLY 7 CO -0.01 0.19 0.84 -1.59 0.00 0.00 0.00 173.10 172.52 2em3 s THR 8 N -1.64 4.30 0.00 0.90 2.01 -1.26 -4.70 115.64 115.26 2em3 s THR 8 Ca 0.44 1.75 0.00 0.00 0.31 0.00 0.00 61.69 64.19 2em3 s THR 8 Cb -0.14 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.26 2em3 s THR 8 CO 0.20 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 2em3 n GLY 9 N 1.23 0.72 3.04 4.40 0.00 -1.26 -5.10 105.19 108.23 2em3 n GLY 9 Ca -0.03 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 2em3 n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2em3 s GLU 10 N 0.00 3.02 0.17 1.61 2.02 -1.26 -5.04 118.70 119.22 2em3 s GLU 10 Ca 0.00 -3.29 -0.01 0.00 0.02 0.00 0.00 54.97 51.70 2em3 s GLU 10 Cb 0.00 -3.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 2em3 s GLU 10 CO 0.00 -1.27 0.35 0.15 0.02 0.00 0.00 175.26 174.52 2em3 s LYS 11 N -1.36 3.51 0.00 1.61 1.02 -1.26 -4.98 119.74 118.29 2em3 s LYS 11 Ca 0.26 -0.35 0.15 0.00 0.02 0.00 0.00 55.97 56.05 2em3 s LYS 11 Cb -0.07 -2.88 0.87 0.00 -0.52 0.00 0.00 37.83 35.24 2em3 s LYS 11 CO -0.13 0.45 1.29 -0.35 -0.92 0.00 0.00 175.35 175.68 2em3 n PRO 12 N -0.45 0.49 -3.94 -1.68 -0.04 -1.26 -4.53 135.00 123.60 2em3 n PRO 12 Ca -0.05 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.14 2em3 n PRO 12 Cb 0.53 -1.47 -0.17 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.00 1.68 -0.07 0.54 2.02 -1.26 -5.08 117.35 113.18 2em3 s TYR 13 Ca 0.22 -0.88 -0.03 0.00 -0.37 0.00 0.00 57.07 56.02 2em3 s TYR 13 Cb 0.10 -1.33 0.04 0.00 -0.40 0.00 0.00 41.96 40.37 2em3 s TYR 13 CO 0.17 -0.56 0.12 -2.00 -1.57 0.00 0.00 175.55 171.71 2em3 s GLU 14 N 1.65 0.01 0.94 -0.62 2.12 -1.26 -2.59 118.70 118.94 2em3 s GLU 14 Ca 0.05 0.46 -0.11 0.00 0.36 0.00 0.00 54.97 55.72 2em3 s GLU 14 Cb -0.13 -0.32 0.15 0.00 0.26 0.00 0.00 34.13 34.10 2em3 s GLU 14 CO -0.09 -0.28 1.09 0.00 -0.54 0.00 0.00 175.26 175.44 2em3 n LYS 16 N -4.09 1.60 -0.00 0.00 4.01 -1.26 -3.64 118.16 114.77 2em3 n LYS 16 Ca 0.07 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.87 2em3 n LYS 16 Cb 0.55 -1.36 -0.00 0.00 -0.51 0.00 0.00 35.03 33.71 2em3 n LYS 16 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2em3 h VAL 17 N 0.00 0.00 0.00 -0.18 2.07 -2.00 -3.38 116.25 112.76 2em3 h VAL 17 Ca -0.38 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2em3 h VAL 17 Cb 1.84 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2em3 h VAL 17 CO 0.01 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.27 2em3 n SER 19 N -2.63 -2.66 -4.76 0.00 7.64 -1.24 -5.00 113.62 104.96 2em3 n SER 19 Ca 0.03 -0.53 -0.34 0.00 1.01 0.00 0.00 58.87 59.05 2em3 n SER 19 Cb 0.49 -4.53 -0.08 0.00 -1.01 0.00 0.00 64.21 59.09 2em3 n SER 19 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2em3 s LYS 20 N -5.35 3.06 0.06 1.43 2.20 -1.26 -4.71 119.74 115.17 2em3 s LYS 20 Ca 0.08 -0.45 -0.05 0.00 -0.36 0.00 0.00 55.97 55.20 2em3 s LYS 20 Cb -0.04 -2.86 -0.05 0.00 -1.51 0.00 0.00 37.83 33.37 2em3 s LYS 20 CO 0.64 0.67 0.29 0.00 -0.36 0.00 0.00 175.35 176.58 2em3 s ALA 21 N -1.11 3.87 0.24 3.13 0.00 -1.26 -1.14 121.76 125.49 2em3 s ALA 21 Ca 0.20 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.57 2em3 s ALA 21 Cb -0.12 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.91 2em3 s ALA 21 CO 0.10 0.69 0.01 -0.06 0.00 0.00 0.00 175.76 176.51 2em3 s PHE 22 N -1.44 1.61 -0.11 0.00 0.40 -1.07 -5.01 117.98 112.35 2em3 s PHE 22 Ca 0.33 -0.94 0.20 0.00 -0.60 0.00 0.00 56.93 55.92 2em3 s PHE 22 Cb -0.13 -0.95 -0.25 0.00 0.51 0.00 0.00 43.02 42.20 2em3 s PHE 22 CO 0.21 -0.05 0.45 -2.37 0.70 0.00 0.00 175.22 174.16 2em3 n THR 23 N -0.45 0.70 -4.40 0.64 5.66 -1.26 -4.38 114.28 110.79 2em3 n THR 23 Ca -0.04 -0.65 -0.20 0.00 -3.05 0.00 0.00 64.05 60.11 2em3 n THR 23 Cb 0.64 -0.30 -0.10 0.00 -1.55 0.00 0.00 70.33 69.01 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 -3.07 1.52 -0.09 1.09 -0.21 -1.26 -5.04 119.66 112.60 2em3 s GLN 24 Ca -0.07 -1.82 -0.16 0.00 0.02 0.00 0.00 55.36 53.32 2em3 s GLN 24 Cb 0.10 -0.72 -0.13 0.00 1.00 0.00 0.00 33.01 33.26 2em3 s GLN 24 CO 0.86 -0.17 0.56 0.87 -2.12 0.00 0.00 175.29 175.30 2em3 h LYS 25 N 2.26 -0.10 -0.98 2.91 1.57 -2.00 -3.23 116.57 116.99 2em3 h LYS 25 Ca -0.40 0.01 0.34 0.00 -1.87 0.00 0.00 60.65 58.73 2em3 h LYS 25 Cb 1.24 0.02 -0.17 0.00 0.08 0.00 0.00 32.23 33.40 2em3 h LYS 25 CO 0.67 0.34 0.35 0.00 -0.57 0.00 0.00 179.45 180.23 2em3 h ALA 26 N -0.48 1.72 0.55 3.86 0.00 -1.98 0.45 119.26 123.39 2em3 h ALA 26 Ca -0.01 0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2em3 h ALA 26 Cb 0.49 0.39 0.01 0.00 0.00 0.00 0.00 17.79 18.68 2em3 h ALA 26 CO 0.02 -0.73 -0.27 0.45 0.00 0.00 0.00 179.25 178.72 2em3 h HIS 27 N 0.07 -0.69 0.64 0.00 3.86 -1.98 0.24 115.15 117.29 2em3 h HIS 27 Ca 0.72 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.88 2em3 h HIS 27 Cb 1.72 0.23 0.01 0.00 1.06 0.00 0.00 27.41 30.42 2em3 h HIS 27 CO -0.19 -0.42 -0.31 1.25 0.86 0.00 0.00 177.93 179.12 2em3 h LEU 28 N -0.76 -0.73 -0.28 2.43 5.85 -0.68 -0.86 115.31 120.28 2em3 h LEU 28 Ca -0.08 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.70 2em3 h LEU 28 Cb 0.58 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.72 2em3 h LEU 28 CO 0.12 -0.42 -0.26 0.00 -0.34 0.00 0.00 178.44 177.55 2em3 h ALA 29 N -0.78 -0.12 0.00 1.25 0.00 -0.33 0.26 119.26 119.54 2em3 h ALA 29 Ca -0.09 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2em3 h ALA 29 Cb 0.70 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2em3 h ALA 29 CO 0.14 -0.67 -0.02 0.37 0.00 0.00 0.00 179.25 179.07 2em3 h GLN 30 N -0.24 0.00 0.04 0.00 5.75 -0.52 -2.40 115.11 117.73 2em3 h GLN 30 Ca 0.15 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.52 2em3 h GLN 30 Cb 0.48 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.04 2em3 h GLN 30 CO -0.42 0.02 -0.54 1.25 -2.65 0.00 0.00 178.83 176.48 2em3 h HIS 31 N 0.00 0.47 -1.30 3.99 2.76 0.85 -3.28 115.15 118.65 2em3 h HIS 31 Ca -0.00 -0.28 0.47 0.00 -2.20 0.00 0.00 60.37 58.35 2em3 h HIS 31 Cb 0.05 -0.04 -0.15 0.00 1.55 0.00 0.00 27.41 28.82 2em3 h HIS 31 CO 0.00 1.14 0.81 1.96 -1.30 0.00 0.00 177.93 180.53 2em3 h GLN 32 N -0.33 0.00 -0.62 5.26 4.20 -0.18 0.52 115.11 123.95 2em3 h GLN 32 Ca -0.08 -0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.76 2em3 h GLN 32 Cb 1.32 -0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.99 2em3 h GLN 32 CO 0.10 0.00 -0.08 0.87 -0.67 0.00 0.00 178.83 179.06 2em3 h LYS 33 N 0.00 0.05 -0.10 1.46 6.56 -1.63 0.66 116.57 123.57 2em3 h LYS 33 Ca 0.88 -0.00 0.03 0.00 -1.06 0.00 0.00 60.65 60.50 2em3 h LYS 33 Cb 2.71 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 34.36 2em3 h LYS 33 CO -0.54 0.03 0.28 0.00 -2.06 0.00 0.00 179.45 177.16 2em3 h THR 34 N 0.05 0.15 -3.32 -0.16 1.03 -0.17 -3.40 112.91 107.10 2em3 h THR 34 Ca 0.32 0.00 -0.58 0.00 -0.01 0.00 0.00 66.41 66.14 2em3 h THR 34 Cb 0.50 0.75 -0.08 0.00 -1.07 0.00 0.00 68.15 68.25 2em3 h THR 34 CO -0.59 0.00 -0.15 -1.00 -0.01 0.00 0.00 175.52 173.76 2em3 s HIS 35 N -4.30 3.52 0.11 0.00 3.76 0.23 -5.02 115.29 113.60 2em3 s HIS 35 Ca -0.04 0.87 -0.36 0.00 -0.15 0.00 0.00 55.06 55.39 2em3 s HIS 35 Cb 0.12 -2.53 -0.16 0.00 1.11 0.00 0.00 32.58 31.12 2em3 s HIS 35 CO 0.39 0.19 1.36 2.41 -0.85 0.00 0.00 174.74 178.24 2em3 n THR 36 N 3.61 0.15 0.00 1.30 -1.04 -1.26 -4.76 114.28 112.28 2em3 n THR 36 Ca -0.08 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2em3 n THR 36 Cb 0.52 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 2em3 n THR 36 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2em3 n GLY 37 N 2.59 -0.50 3.62 3.41 0.00 -1.26 -5.10 105.19 107.94 2em3 n GLY 37 Ca 0.17 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 0.82 -0.19 1.61 4.04 -1.26 -5.08 118.70 118.65 2em3 s GLU 38 Ca 0.00 1.01 -0.09 0.00 0.04 0.00 0.00 54.97 55.93 2em3 s GLU 38 Cb 0.00 0.38 0.07 0.00 0.02 0.00 0.00 34.13 34.60 2em3 s GLU 38 CO 0.00 -0.10 0.43 0.21 -1.84 0.00 0.00 175.26 173.96 2em3 s LYS 39 N 0.49 0.38 0.91 -4.83 2.20 -1.26 -5.17 119.74 112.46 2em3 s LYS 39 Ca -0.01 0.91 -0.12 0.00 -0.36 0.00 0.00 55.97 56.40 2em3 s LYS 39 Cb -0.05 0.13 0.14 0.00 -1.51 0.00 0.00 37.83 36.54 2em3 s LYS 39 CO -0.01 -0.19 1.09 -1.25 -0.36 0.00 0.00 175.35 174.63 2em3 s PRO 40 N 1.90 1.15 -0.14 4.03 0.04 -1.26 -5.04 135.00 135.67 2em3 s PRO 40 Ca -0.06 0.78 -0.06 0.00 0.04 0.00 0.00 61.00 61.69 2em3 s PRO 40 Cb -0.10 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 2em3 s PRO 40 CO -0.13 -2.31 0.07 -1.54 0.04 0.00 0.00 177.00 173.14 2em3 s SER 41 N -3.43 5.79 0.00 6.66 1.04 -1.26 -5.07 113.70 117.43 2em3 s SER 41 Ca 0.64 0.21 0.00 0.00 0.48 0.00 0.00 55.95 57.28 2em3 s SER 41 Cb -0.18 -1.89 0.00 0.00 0.10 0.00 0.00 66.02 64.05 2em3 s SER 41 CO 0.57 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.69 2em3 n GLY 42 N 2.78 -1.32 3.77 7.32 0.00 -1.26 -4.77 105.19 111.71 2em3 n GLY 42 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 2em3 n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2em3 s PRO 43 N 0.00 2.74 0.00 1.61 0.04 -1.26 -4.95 135.00 133.18 2em3 s PRO 43 Ca 0.00 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 2em3 s PRO 43 Cb 0.00 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 2em3 s PRO 43 CO 0.00 -1.30 1.66 -1.54 0.04 0.00 0.00 177.00 175.86 2em3 s SER 44 N -2.67 6.64 0.39 6.66 1.04 -1.26 -5.00 113.70 119.50 2em3 s SER 44 Ca 0.66 2.35 0.08 0.00 0.48 0.00 0.00 55.95 59.52 2em3 s SER 44 Cb -0.20 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.32 2em3 s SER 44 CO 0.43 -0.90 0.15 -0.55 0.98 0.00 0.00 173.24 173.34 2em3 s SER 45 N 2.96 4.42 0.00 7.02 0.15 -1.26 -5.24 113.70 121.75 2em3 s SER 45 Ca 0.74 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2em3 s SER 45 Cb -0.36 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.42 2em3 s SER 45 CO 0.31 -0.46 0.08 0.61 1.20 0.00 0.00 173.24 174.98