#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 1.55 -4.60 1.61 7.64 -1.26 -4.77 113.62 113.79 2em3 n SER 2 Ca 0.00 0.52 -0.49 0.00 1.01 0.00 0.00 58.87 59.92 2em3 n SER 2 Cb 0.00 -1.11 -0.05 0.00 -1.01 0.00 0.00 64.21 62.04 2em3 n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2em3 n SER 3 N 8.86 3.01 -2.94 6.43 3.41 -1.26 -4.94 113.62 126.19 2em3 n SER 3 Ca 0.47 0.69 -0.04 0.00 -0.26 0.00 0.00 58.87 59.72 2em3 n SER 3 Cb 0.12 -1.36 0.04 0.00 -0.26 0.00 0.00 64.21 62.75 2em3 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2em3 n GLY 4 N 5.23 -3.44 3.87 5.00 0.00 -1.26 -5.00 105.19 109.59 2em3 n GLY 4 Ca 0.29 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.10 6.65 -0.04 1.61 1.04 -1.26 -5.03 113.70 114.56 2em3 s SER 5 Ca 0.10 0.92 -0.08 0.00 0.48 0.00 0.00 55.95 57.37 2em3 s SER 5 Cb -0.02 -2.22 -0.03 0.00 0.10 0.00 0.00 66.02 63.85 2em3 s SER 5 CO 0.08 -0.02 -0.16 -1.20 0.98 0.00 0.00 173.24 172.92 2em3 n SER 6 N 0.08 1.25 -3.52 7.02 7.64 -1.26 -5.07 113.62 119.77 2em3 n SER 6 Ca -0.01 0.20 -0.14 0.00 1.01 0.00 0.00 58.87 59.92 2em3 n SER 6 Cb 0.52 -0.51 0.07 0.00 -1.01 0.00 0.00 64.21 63.29 2em3 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2em3 n GLY 7 N 2.36 0.62 3.09 0.23 0.00 -1.26 -5.13 105.19 105.11 2em3 n GLY 7 Ca -0.06 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 2em3 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2em3 s THR 8 N -1.80 0.37 0.00 2.61 -1.32 -1.26 -5.14 115.64 109.11 2em3 s THR 8 Ca 0.40 -1.63 0.00 0.00 -1.21 0.00 0.00 61.69 59.25 2em3 s THR 8 Cb -0.02 -1.27 0.00 0.00 -1.51 0.00 0.00 72.50 69.70 2em3 s THR 8 CO 0.27 -0.82 0.00 0.61 -2.21 0.00 0.00 174.62 172.47 2em3 n GLY 9 N 0.45 4.26 2.15 6.08 0.00 -1.26 -5.02 105.19 111.85 2em3 n GLY 9 Ca -0.16 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 2em3 n GLY 9 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2em3 n GLU 10 N -0.22 3.47 -2.98 1.61 0.28 -1.26 -5.04 120.64 116.49 2em3 n GLU 10 Ca 0.00 -4.12 -0.40 0.00 -0.16 0.00 0.00 57.16 52.49 2em3 n GLU 10 Cb 0.00 -2.28 -0.05 0.00 1.43 0.00 0.00 31.44 30.54 2em3 n GLU 10 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2em3 s LYS 11 N -3.63 4.50 0.00 3.44 2.47 -1.26 -4.94 119.74 120.32 2em3 s LYS 11 Ca 0.52 1.08 0.15 0.00 -1.56 0.00 0.00 55.97 56.15 2em3 s LYS 11 Cb 0.42 -3.35 0.69 0.00 -1.46 0.00 0.00 37.83 34.13 2em3 s LYS 11 CO -0.02 0.32 1.42 -0.35 0.16 0.00 0.00 175.35 176.89 2em3 n PRO 12 N 2.64 0.13 -3.68 4.03 -0.04 -1.26 -4.42 135.00 132.40 2em3 n PRO 12 Ca -0.03 0.19 -0.27 0.00 -0.04 0.00 0.00 63.50 63.35 2em3 n PRO 12 Cb 0.50 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.74 0.76 -0.04 0.54 2.02 -1.26 -5.10 117.35 111.53 2em3 s TYR 13 Ca 0.11 -0.74 0.00 0.00 -0.37 0.00 0.00 57.07 56.07 2em3 s TYR 13 Cb 0.10 -0.95 0.03 0.00 -0.40 0.00 0.00 41.96 40.73 2em3 s TYR 13 CO 0.24 -0.61 -0.01 -2.00 -1.57 0.00 0.00 175.55 171.60 2em3 s GLU 14 N 1.95 0.53 0.71 -0.62 2.12 -1.26 -1.64 118.70 120.48 2em3 s GLU 14 Ca 0.01 0.03 -0.11 0.00 0.36 0.00 0.00 54.97 55.26 2em3 s GLU 14 Cb -0.17 -0.70 0.02 0.00 0.26 0.00 0.00 34.13 33.54 2em3 s GLU 14 CO -0.11 -0.16 1.07 0.00 -0.54 0.00 0.00 175.26 175.52 2em3 n LYS 16 N -3.13 2.48 0.24 0.00 3.00 -1.26 -3.53 118.16 115.97 2em3 n LYS 16 Ca 0.07 -0.01 -0.13 0.00 -0.00 0.00 0.00 58.31 58.24 2em3 n LYS 16 Cb 0.55 -1.22 -0.07 0.00 0.00 0.00 0.00 35.03 34.28 2em3 n LYS 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2em3 h VAL 17 N 0.00 0.36 -0.23 3.15 2.07 -1.97 -3.32 116.25 116.31 2em3 h VAL 17 Ca -0.23 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2em3 h VAL 17 Cb 1.49 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2em3 h VAL 17 CO 0.01 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.66 2em3 n SER 19 N -0.55 -1.36 -4.59 0.00 2.88 -1.23 -4.85 113.62 103.93 2em3 n SER 19 Ca 0.20 0.32 -0.41 0.00 -1.33 0.00 0.00 58.87 57.65 2em3 n SER 19 Cb 0.82 -1.28 -0.07 0.00 -0.75 0.00 0.00 64.21 62.93 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 -5.20 3.84 0.36 -1.46 2.20 -1.26 -4.70 119.74 113.52 2em3 s LYS 20 Ca 0.07 0.19 -0.02 0.00 -0.36 0.00 0.00 55.97 55.85 2em3 s LYS 20 Cb -0.04 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 2em3 s LYS 20 CO 0.09 -0.59 0.60 0.00 -0.36 0.00 0.00 175.35 175.09 2em3 s ALA 21 N 2.57 3.62 0.05 3.13 0.00 -1.26 -1.70 121.76 128.16 2em3 s ALA 21 Ca 0.24 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.46 2em3 s ALA 21 Cb -0.15 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 2em3 s ALA 21 CO 0.12 -0.03 -0.06 -0.06 0.00 0.00 0.00 175.76 175.74 2em3 s PHE 22 N -2.35 0.60 0.04 0.00 0.40 -0.65 -4.96 117.98 111.06 2em3 s PHE 22 Ca 0.42 -0.69 -0.15 0.00 -0.60 0.00 0.00 56.93 55.91 2em3 s PHE 22 Cb -0.10 -0.38 -0.32 0.00 0.51 0.00 0.00 43.02 42.73 2em3 s PHE 22 CO 0.36 -0.17 1.06 0.00 0.70 0.00 0.00 175.22 177.17 2em3 h THR 23 N 3.98 1.28 -3.75 0.64 1.03 -2.00 -3.38 112.91 110.71 2em3 h THR 23 Ca -0.35 -2.57 -0.68 0.00 -0.01 0.00 0.00 66.41 62.80 2em3 h THR 23 Cb 1.19 2.86 -0.19 0.00 -1.07 0.00 0.00 68.15 70.93 2em3 h THR 23 CO 0.50 0.78 -0.74 -1.10 -0.01 0.00 0.00 175.52 174.95 2em3 s GLN 24 N -2.80 2.45 0.13 0.00 -1.52 -1.26 -4.93 119.66 111.72 2em3 s GLN 24 Ca -0.09 -0.77 -0.20 0.00 -1.95 0.00 0.00 55.36 52.35 2em3 s GLN 24 Cb 0.05 -2.42 -0.02 0.00 -0.22 0.00 0.00 33.01 30.40 2em3 s GLN 24 CO 0.94 0.59 1.70 -0.22 -0.25 0.00 0.00 175.29 178.05 2em3 h LYS 25 N 4.68 -0.04 -0.98 2.91 3.64 -1.99 -2.35 116.57 122.44 2em3 h LYS 25 Ca -0.48 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.15 2em3 h LYS 25 Cb 1.16 0.01 -0.18 0.00 -0.41 0.00 0.00 32.23 32.81 2em3 h LYS 25 CO 0.52 -0.03 -0.07 0.00 -2.27 0.00 0.00 179.45 177.60 2em3 h ALA 26 N 1.14 0.97 0.02 5.00 0.00 -1.98 0.30 119.26 124.70 2em3 h ALA 26 Ca 0.10 0.36 0.03 0.00 0.00 0.00 0.00 54.91 55.39 2em3 h ALA 26 Cb 0.19 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2em3 h ALA 26 CO -0.22 -0.50 -0.27 0.45 0.00 0.00 0.00 179.25 178.71 2em3 h HIS 27 N 0.01 -0.72 0.49 0.00 3.86 -1.85 0.60 115.15 117.54 2em3 h HIS 27 Ca 0.55 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.76 2em3 h HIS 27 Cb 1.04 0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.83 2em3 h HIS 27 CO -0.59 -0.36 -0.24 1.25 0.86 0.00 0.00 177.93 178.84 2em3 h LEU 28 N -0.42 -0.57 -0.77 2.43 5.85 -0.53 0.35 115.31 121.65 2em3 h LEU 28 Ca 0.06 0.02 0.17 0.00 0.84 0.00 0.00 57.88 58.97 2em3 h LEU 28 Cb 0.50 0.15 -0.12 0.00 0.37 0.00 0.00 40.66 41.56 2em3 h LEU 28 CO -0.22 -0.41 0.19 0.00 -0.34 0.00 0.00 178.44 177.66 2em3 h ALA 29 N -0.16 1.01 -0.19 1.25 0.00 -0.67 0.11 119.26 120.62 2em3 h ALA 29 Ca -0.07 0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 2em3 h ALA 29 Cb 0.52 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2em3 h ALA 29 CO 0.11 -0.35 -0.62 0.37 0.00 0.00 0.00 179.25 178.75 2em3 h GLN 30 N 0.27 0.66 0.04 0.00 4.15 -0.63 -3.26 115.11 116.33 2em3 h GLN 30 Ca 0.44 -0.46 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2em3 h GLN 30 Cb 0.77 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 2em3 h GLN 30 CO -0.53 1.08 -0.04 1.25 -1.93 0.00 0.00 178.83 178.65 2em3 h HIS 31 N 0.49 -0.11 -0.83 3.99 2.76 0.18 -2.72 115.15 118.91 2em3 h HIS 31 Ca -0.01 0.00 0.26 0.00 -2.20 0.00 0.00 60.37 58.42 2em3 h HIS 31 Cb 1.21 0.04 -0.15 0.00 1.55 0.00 0.00 27.41 30.05 2em3 h HIS 31 CO 0.06 -0.07 0.12 1.04 -1.30 0.00 0.00 177.93 177.78 2em3 n GLN 32 N -5.15 -0.06 -0.33 5.26 6.02 0.16 0.34 117.38 123.62 2em3 n GLN 32 Ca -0.07 1.22 0.04 0.00 -0.01 0.00 0.00 57.00 58.18 2em3 n GLN 32 Cb 0.08 -2.00 0.11 0.00 1.02 0.00 0.00 30.24 29.45 2em3 n GLN 32 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2em3 n LYS 33 N -5.12 -0.10 -0.26 -1.09 5.02 -1.02 0.88 118.16 116.46 2em3 n LYS 33 Ca 0.22 1.40 0.05 0.00 -2.02 0.00 0.00 58.31 57.96 2em3 n LYS 33 Cb 0.74 -2.08 0.16 0.00 -0.02 0.00 0.00 35.03 33.83 2em3 n LYS 33 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2em3 h THR 34 N 0.00 0.32 -4.23 -0.18 1.35 -0.30 -3.41 112.91 106.46 2em3 h THR 34 Ca 0.41 -0.03 -0.50 0.00 -0.55 0.00 0.00 66.41 65.74 2em3 h THR 34 Cb 0.63 0.22 0.13 0.00 -1.73 0.00 0.00 68.15 67.40 2em3 h THR 34 CO -0.92 0.02 0.30 -1.00 -0.25 0.00 0.00 175.52 173.67 2em3 s HIS 35 N -6.11 2.57 0.04 4.73 3.76 0.25 -5.07 115.29 115.45 2em3 s HIS 35 Ca -0.13 1.40 0.03 0.00 -0.15 0.00 0.00 55.06 56.21 2em3 s HIS 35 Cb 0.23 -3.07 -0.02 0.00 1.11 0.00 0.00 32.58 30.82 2em3 s HIS 35 CO 0.75 -1.94 -0.10 -0.08 -0.85 0.00 0.00 174.74 172.53 2em3 s THR 36 N -2.95 0.71 -0.35 1.30 -1.32 -1.26 -5.00 115.64 106.77 2em3 s THR 36 Ca 0.62 -0.96 -0.34 0.00 -1.21 0.00 0.00 61.69 59.80 2em3 s THR 36 Cb -0.17 -0.71 -0.14 0.00 -1.51 0.00 0.00 72.50 69.97 2em3 s THR 36 CO 0.56 -0.20 1.14 0.61 -2.21 0.00 0.00 174.62 174.52 2em3 n GLY 37 N 1.77 0.13 3.79 6.08 0.00 -1.26 -4.86 105.19 110.84 2em3 n GLY 37 Ca -0.20 0.72 -0.36 0.00 0.00 0.00 0.00 46.02 46.18 2em3 n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2em3 s GLU 38 N 2.10 4.19 0.09 1.61 2.12 -1.26 -5.07 118.70 122.49 2em3 s GLU 38 Ca 0.75 1.38 0.07 0.00 0.36 0.00 0.00 54.97 57.53 2em3 s GLU 38 Cb -1.07 -2.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 2em3 s GLU 38 CO 0.58 -0.09 -0.18 0.15 -0.54 0.00 0.00 175.26 175.18 2em3 s LYS 39 N -2.66 1.00 0.00 4.30 -0.14 -1.26 -5.01 119.74 115.97 2em3 s LYS 39 Ca 0.59 -1.09 0.14 0.00 -1.36 0.00 0.00 55.97 54.24 2em3 s LYS 39 Cb -0.18 -1.14 0.83 0.00 -1.68 0.00 0.00 37.83 35.66 2em3 s LYS 39 CO 0.23 0.26 1.25 -0.35 -0.76 0.00 0.00 175.35 175.98 2em3 n PRO 40 N 1.10 0.49 -3.59 -1.68 -0.04 -1.26 -4.74 135.00 125.28 2em3 n PRO 40 Ca -0.20 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.06 2em3 n PRO 40 Cb 0.54 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 2em3 n PRO 40 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2em3 s SER 41 N -1.95 5.39 0.00 3.54 0.01 -1.26 -5.11 113.70 114.32 2em3 s SER 41 Ca 0.21 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2em3 s SER 41 Cb 0.10 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.45 2em3 s SER 41 CO 0.16 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2em3 n GLY 42 N -1.52 4.33 3.55 3.44 0.00 -1.26 -5.06 105.19 108.67 2em3 n GLY 42 Ca 0.01 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.32 2.62 -0.23 1.61 0.04 -1.26 -4.94 135.00 129.52 2em3 s PRO 43 Ca 0.00 0.53 -0.00 0.00 0.04 0.00 0.00 61.00 61.57 2em3 s PRO 43 Cb 0.00 -4.45 0.06 0.00 0.04 0.00 0.00 34.50 30.16 2em3 s PRO 43 CO 0.00 -2.79 -0.02 -1.12 0.04 0.00 0.00 177.00 173.11 2em3 s SER 44 N 8.10 3.64 0.18 6.66 0.01 -1.26 -5.11 113.70 125.92 2em3 s SER 44 Ca 0.67 -1.14 -0.10 0.00 1.31 0.00 0.00 55.95 56.69 2em3 s SER 44 Cb -0.12 -1.02 -0.01 0.00 0.21 0.00 0.00 66.02 65.09 2em3 s SER 44 CO 0.19 -0.27 0.31 -0.44 0.41 0.00 0.00 173.24 173.44 2em3 s SER 45 N 1.52 0.01 0.00 2.44 0.01 -1.26 -5.29 113.70 111.13 2em3 s SER 45 Ca -0.03 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.35 2em3 s SER 45 Cb -0.18 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.51 2em3 s SER 45 CO -0.08 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.25