#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em3 s SER 2 N 0.00 2.01 -0.18 1.61 0.15 -1.26 -5.13 113.70 110.90 2em3 s SER 2 Ca 0.00 -0.35 -0.04 0.00 0.70 0.00 0.00 55.95 56.26 2em3 s SER 2 Cb 0.00 -0.20 0.08 0.00 -1.71 0.00 0.00 66.02 64.19 2em3 s SER 2 CO 0.00 0.18 0.22 -0.55 1.20 0.00 0.00 173.24 174.29 2em3 s SER 3 N -0.60 1.18 0.00 5.45 0.15 -1.26 -5.08 113.70 113.55 2em3 s SER 3 Ca 0.06 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2em3 s SER 3 Cb -0.07 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2em3 s SER 3 CO -0.00 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.74 2em3 n GLY 4 N 5.32 -0.07 2.86 9.45 0.00 -1.26 -5.08 105.19 116.42 2em3 n GLY 4 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.32 0.86 -0.58 1.61 1.04 -1.26 -5.10 113.70 109.95 2em3 s SER 5 Ca 0.00 0.17 -0.03 0.00 0.48 0.00 0.00 55.95 56.56 2em3 s SER 5 Cb 0.00 0.53 0.15 0.00 0.10 0.00 0.00 66.02 66.80 2em3 s SER 5 CO 0.00 -0.28 0.39 -0.44 0.98 0.00 0.00 173.24 173.89 2em3 s SER 6 N 2.37 5.29 0.16 7.02 0.01 -1.26 -5.08 113.70 122.21 2em3 s SER 6 Ca 0.05 -2.65 -0.06 0.00 1.31 0.00 0.00 55.95 54.60 2em3 s SER 6 Cb -0.14 -1.86 -0.06 0.00 0.21 0.00 0.00 66.02 64.17 2em3 s SER 6 CO -0.10 -0.42 0.42 -0.83 0.41 0.00 0.00 173.24 172.71 2em3 s GLY 7 N 1.03 2.25 0.15 3.44 0.00 -1.26 -5.01 107.32 107.92 2em3 s GLY 7 Ca 0.15 -0.48 -0.13 0.00 0.00 0.00 0.00 44.72 44.25 2em3 s GLY 7 CO -0.04 -0.38 1.63 -0.91 0.00 0.00 0.00 173.10 173.41 2em3 h THR 8 N 2.10 1.25 -0.21 0.90 1.35 -2.05 -3.49 112.91 112.76 2em3 h THR 8 Ca -0.46 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 2em3 h THR 8 Cb 1.17 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2em3 h THR 8 CO 0.71 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.92 2em3 n GLY 9 N -0.52 -0.97 2.25 5.82 0.00 -1.26 -4.96 105.19 105.54 2em3 n GLY 9 Ca 0.01 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 2em3 n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2em3 n GLU 10 N 1.33 3.48 -3.73 1.61 0.00 -1.26 -5.05 120.64 117.03 2em3 n GLU 10 Ca 0.00 -4.26 -0.34 0.00 0.00 0.00 0.00 57.16 52.56 2em3 n GLU 10 Cb 0.00 -2.27 -0.05 0.00 0.00 0.00 0.00 31.44 29.12 2em3 n GLU 10 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2em3 s LYS 11 N -3.60 3.60 0.52 5.31 3.01 -1.26 -4.99 119.74 122.34 2em3 s LYS 11 Ca 0.50 -0.08 0.33 0.00 -1.01 0.00 0.00 55.97 55.72 2em3 s LYS 11 Cb 0.41 -3.02 1.37 0.00 -1.01 0.00 0.00 37.83 35.59 2em3 s LYS 11 CO -0.07 0.60 1.97 -1.00 0.51 0.00 0.00 175.35 177.36 2em3 h PRO 12 N 3.63 0.00 -4.76 -1.68 0.13 -1.92 -3.40 132.00 123.99 2em3 h PRO 12 Ca -0.49 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.00 2em3 h PRO 12 Cb 1.19 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.95 2em3 h PRO 12 CO 0.68 0.00 -0.82 0.71 -0.23 0.00 0.00 178.00 178.34 2em3 s TYR 13 N -3.65 2.71 -0.03 1.56 2.02 -1.26 -5.11 117.35 113.60 2em3 s TYR 13 Ca 0.01 -1.79 0.01 0.00 -0.37 0.00 0.00 57.07 54.94 2em3 s TYR 13 Cb 0.09 -1.78 0.01 0.00 -0.40 0.00 0.00 41.96 39.89 2em3 s TYR 13 CO 0.52 -0.79 -0.04 -2.00 -1.57 0.00 0.00 175.55 171.67 2em3 s GLU 14 N 1.30 0.61 0.73 -0.62 2.56 -1.26 -2.56 118.70 119.46 2em3 s GLU 14 Ca -0.02 -0.10 -0.11 0.00 0.00 0.00 0.00 54.97 54.73 2em3 s GLU 14 Cb -0.16 -0.64 0.03 0.00 2.00 0.00 0.00 34.13 35.35 2em3 s GLU 14 CO -0.09 -0.02 1.10 0.00 -0.56 0.00 0.00 175.26 175.70 2em3 n LYS 16 N -3.11 0.34 0.20 0.00 5.02 -1.26 -3.67 118.16 115.68 2em3 n LYS 16 Ca 0.07 0.11 -0.08 0.00 -2.02 0.00 0.00 58.31 56.39 2em3 n LYS 16 Cb 0.57 -1.17 -0.04 0.00 -0.02 0.00 0.00 35.03 34.38 2em3 n LYS 16 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2em3 h VAL 17 N -0.27 0.00 0.00 -0.18 2.07 -2.00 -3.28 116.25 112.60 2em3 h VAL 17 Ca -0.35 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 2em3 h VAL 17 Cb 1.42 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2em3 h VAL 17 CO -0.14 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 177.02 2em3 n SER 19 N -2.97 -2.53 -4.80 0.00 7.64 -1.24 -5.03 113.62 104.69 2em3 n SER 19 Ca 0.02 -0.53 -0.22 0.00 1.01 0.00 0.00 58.87 59.15 2em3 n SER 19 Cb 0.57 -4.42 -0.05 0.00 -1.01 0.00 0.00 64.21 59.31 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 -5.02 2.77 -0.04 1.43 2.20 -1.26 -4.82 119.74 115.00 2em3 s LYS 20 Ca 0.05 -1.18 0.05 0.00 -0.36 0.00 0.00 55.97 54.53 2em3 s LYS 20 Cb -0.01 -2.47 -0.02 0.00 -1.51 0.00 0.00 37.83 33.82 2em3 s LYS 20 CO 0.62 0.32 -0.19 0.00 -0.36 0.00 0.00 175.35 175.74 2em3 s ALA 21 N -2.21 2.47 0.15 3.13 0.00 -1.26 -0.85 121.76 123.19 2em3 s ALA 21 Ca 0.35 -1.03 0.07 0.00 0.00 0.00 0.00 51.96 51.35 2em3 s ALA 21 Cb -0.07 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 2em3 s ALA 21 CO 0.24 0.53 -0.16 -0.06 0.00 0.00 0.00 175.76 176.31 2em3 s PHE 22 N -0.62 1.64 0.03 0.00 0.40 -1.06 -5.05 117.98 113.32 2em3 s PHE 22 Ca 0.09 -0.52 -0.16 0.00 -0.60 0.00 0.00 56.93 55.74 2em3 s PHE 22 Cb -0.11 -0.82 -0.33 0.00 0.51 0.00 0.00 43.02 42.27 2em3 s PHE 22 CO 0.00 0.26 1.02 0.00 0.70 0.00 0.00 175.22 177.21 2em3 h THR 23 N 3.25 1.31 -1.80 0.64 1.03 -2.01 -3.40 112.91 111.93 2em3 h THR 23 Ca -0.41 -2.59 -0.58 0.00 -0.01 0.00 0.00 66.41 62.82 2em3 h THR 23 Cb 1.20 2.95 -0.10 0.00 -1.07 0.00 0.00 68.15 71.13 2em3 h THR 23 CO 0.53 0.78 -0.57 -1.10 -0.01 0.00 0.00 175.52 175.14 2em3 s GLN 24 N -2.71 2.14 -0.10 0.00 -0.21 -1.26 -4.93 119.66 112.59 2em3 s GLN 24 Ca -0.10 -1.78 -0.27 0.00 0.02 0.00 0.00 55.36 53.23 2em3 s GLN 24 Cb 0.04 -1.95 -0.25 0.00 1.00 0.00 0.00 33.01 31.86 2em3 s GLN 24 CO 0.93 0.05 0.92 -0.22 -2.12 0.00 0.00 175.29 174.85 2em3 h LYS 25 N 1.67 0.03 -1.00 2.91 3.64 -1.99 -3.30 116.57 118.54 2em3 h LYS 25 Ca -0.43 -0.04 0.38 0.00 -1.27 0.00 0.00 60.65 59.29 2em3 h LYS 25 Cb 1.25 0.01 -0.18 0.00 -0.41 0.00 0.00 32.23 32.90 2em3 h LYS 25 CO 0.69 0.88 0.44 0.00 -2.27 0.00 0.00 179.45 179.18 2em3 h ALA 26 N 0.15 1.95 -0.62 5.00 0.00 -1.98 1.16 119.26 124.92 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 0.90 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2em3 h ALA 26 CO 0.01 -0.86 0.27 0.45 0.00 0.00 0.00 179.25 179.12 2em3 h HIS 27 N 0.02 0.93 0.23 0.00 3.86 -1.98 0.21 115.15 118.43 2em3 h HIS 27 Ca 0.79 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.93 2em3 h HIS 27 Cb 2.00 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 30.19 2em3 h HIS 27 CO -0.11 0.73 -0.11 1.25 0.86 0.00 0.00 177.93 180.55 2em3 h LEU 28 N 0.87 -0.26 -0.33 2.43 5.85 0.12 -1.66 115.31 122.32 2em3 h LEU 28 Ca 0.21 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.75 2em3 h LEU 28 Cb 0.18 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 2em3 h LEU 28 CO -0.02 0.13 0.04 0.00 -0.34 0.00 0.00 178.44 178.25 2em3 h ALA 29 N -0.07 0.34 0.00 1.25 0.00 -0.99 0.44 119.26 120.23 2em3 h ALA 29 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2em3 h ALA 29 Cb 0.48 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2em3 h ALA 29 CO 0.05 -0.36 0.00 0.94 0.00 0.00 0.00 179.25 179.88 2em3 n GLN 30 N -5.12 0.19 -0.02 0.00 7.27 0.06 -2.89 117.38 116.87 2em3 n GLN 30 Ca 0.01 0.49 -0.01 0.00 0.07 0.00 0.00 57.00 57.55 2em3 n GLN 30 Cb 0.16 -1.92 -0.00 0.00 2.41 0.00 0.00 30.24 30.88 2em3 n GLN 30 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 2em3 n HIS 31 N -2.29 0.20 -0.30 3.69 -0.00 0.19 -4.45 115.22 112.26 2em3 n HIS 31 Ca 0.01 0.09 0.09 0.00 0.46 0.00 0.00 57.72 58.37 2em3 n HIS 31 Cb 0.19 -0.34 0.19 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 -2.91 -0.07 -0.28 1.57 6.02 0.13 0.63 117.38 122.47 2em3 n GLN 32 Ca -0.02 1.29 0.14 0.00 -0.01 0.00 0.00 57.00 58.40 2em3 n GLN 32 Cb 0.08 -1.99 0.28 0.00 1.02 0.00 0.00 30.24 29.63 2em3 n GLN 32 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2em3 n LYS 33 N -5.28 -0.06 -0.15 -1.09 2.85 -1.14 0.17 118.16 113.46 2em3 n LYS 33 Ca 0.17 1.22 -0.06 0.00 -1.05 0.00 0.00 58.31 58.59 2em3 n LYS 33 Cb 0.55 -1.97 0.03 0.00 -0.65 0.00 0.00 35.03 33.00 2em3 n LYS 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2em3 h THR 34 N 0.00 0.99 -0.01 0.58 1.03 -0.04 -1.55 112.91 113.92 2em3 h THR 34 Ca 0.53 -0.17 0.03 0.00 -0.01 0.00 0.00 66.41 66.79 2em3 h THR 34 Cb 1.15 0.46 -0.06 0.00 -1.07 0.00 0.00 68.15 68.64 2em3 h THR 34 CO -0.75 0.09 -0.43 0.45 -0.01 0.00 0.00 175.52 174.87 2em3 h HIS 35 N 0.49 -1.22 -0.70 0.00 3.86 0.17 -2.02 115.15 115.73 2em3 h HIS 35 Ca 0.19 0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.51 2em3 h HIS 35 Cb 0.08 0.54 -0.06 0.00 1.06 0.00 0.00 27.41 29.02 2em3 h HIS 35 CO -0.09 -0.50 0.38 1.15 0.86 0.00 0.00 177.93 179.73 2em3 h THR 36 N -0.58 0.94 -0.66 2.45 2.02 -1.30 -3.42 112.91 112.36 2em3 h THR 36 Ca 0.05 -0.24 -0.70 0.00 0.77 0.00 0.00 66.41 66.29 2em3 h THR 36 Cb 0.66 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 2em3 h THR 36 CO -0.33 0.13 1.39 0.61 0.37 0.00 0.00 175.52 177.69 2em3 n GLY 37 N -1.29 0.22 3.65 2.16 0.00 -0.60 -4.79 105.19 104.54 2em3 n GLY 37 Ca 0.09 1.00 -0.48 0.00 0.00 0.00 0.00 46.02 46.64 2em3 n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2em3 n GLU 38 N 7.96 2.14 -3.89 1.61 1.02 -1.26 -4.92 120.64 123.30 2em3 n GLU 38 Ca 0.47 0.76 -0.28 0.00 -0.02 0.00 0.00 57.16 58.09 2em3 n GLU 38 Cb 0.13 -2.72 -0.12 0.00 -0.02 0.00 0.00 31.44 28.71 2em3 n GLU 38 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2em3 s LYS 39 N 4.52 2.41 -1.15 3.49 -0.14 -1.26 -5.03 119.74 122.57 2em3 s LYS 39 Ca 0.95 -3.29 -0.23 0.00 -1.36 0.00 0.00 55.97 52.03 2em3 s LYS 39 Cb -0.65 -3.37 -0.08 0.00 -1.68 0.00 0.00 37.83 32.04 2em3 s LYS 39 CO 0.49 -1.28 1.94 -1.25 -0.76 0.00 0.00 175.35 174.49 2em3 s PRO 40 N -1.38 2.50 0.03 -1.68 0.04 -1.26 -4.71 135.00 128.54 2em3 s PRO 40 Ca 0.25 -1.07 -0.17 0.00 0.04 0.00 0.00 61.00 60.05 2em3 s PRO 40 Cb -0.05 -5.22 -0.28 0.00 0.04 0.00 0.00 34.50 28.99 2em3 s PRO 40 CO -0.16 -3.91 1.07 0.66 0.04 0.00 0.00 177.00 174.70 2em3 h SER 41 N 9.91 0.73 -4.60 6.66 4.64 -2.02 -3.50 113.55 125.36 2em3 h SER 41 Ca 0.20 -0.82 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 2em3 h SER 41 Cb 0.95 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2em3 h SER 41 CO 1.22 1.47 0.00 0.61 -0.87 0.00 0.00 176.83 179.27 2em3 n GLY 42 N 1.33 2.87 3.77 -0.77 0.00 -1.26 -5.08 105.19 106.04 2em3 n GLY 42 Ca -0.13 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 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 -4.08 2.23 0.05 1.61 0.04 -1.26 -5.08 135.00 128.51 2em3 s PRO 43 Ca 0.00 1.16 -0.05 0.00 0.04 0.00 0.00 61.00 62.15 2em3 s PRO 43 Cb 0.00 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 2em3 s PRO 43 CO 0.00 -1.66 0.09 0.45 0.04 0.00 0.00 177.00 175.92 2em3 s SER 44 N -3.39 0.21 0.01 6.66 0.15 -1.26 -5.07 113.70 111.01 2em3 s SER 44 Ca 0.61 -0.61 -0.23 0.00 0.70 0.00 0.00 55.95 56.42 2em3 s SER 44 Cb -0.17 0.24 -0.18 0.00 -1.71 0.00 0.00 66.02 64.20 2em3 s SER 44 CO 0.56 -0.55 1.30 0.28 1.20 0.00 0.00 173.24 176.03 2em3 h SER 45 N 3.46 0.19 0.00 5.45 0.02 -2.08 -3.57 113.55 117.01 2em3 h SER 45 Ca -0.33 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 2em3 h SER 45 Cb 1.18 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2em3 h SER 45 CO 0.53 0.64 0.00 0.61 -1.14 0.00 0.00 176.83 177.47