#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 4.48 -0.17 1.61 0.15 -1.26 -5.04 113.70 113.47 2em3 s SER 2 Ca 0.00 -0.14 -0.21 0.00 0.70 0.00 0.00 55.95 56.30 2em3 s SER 2 Cb 0.00 -1.03 -0.19 0.00 -1.71 0.00 0.00 66.02 63.09 2em3 s SER 2 CO 0.00 0.31 0.37 0.77 1.20 0.00 0.00 173.24 175.89 2em3 h SER 3 N 4.86 0.00 0.00 5.45 4.64 -2.13 -3.48 113.55 122.89 2em3 h SER 3 Ca -0.48 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 60.24 2em3 h SER 3 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2em3 h SER 3 CO 0.52 1.15 0.00 0.61 -0.87 0.00 0.00 176.83 178.24 2em3 n GLY 4 N 1.55 2.04 3.67 -0.77 0.00 -1.26 -4.92 105.19 105.51 2em3 n GLY 4 Ca -0.19 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 2em3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2em3 s SER 5 N 0.00 7.12 -0.06 1.61 0.01 -1.26 -5.03 113.70 116.09 2em3 s SER 5 Ca 0.00 1.38 -0.02 0.00 1.31 0.00 0.00 55.95 58.62 2em3 s SER 5 Cb 0.00 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.75 2em3 s SER 5 CO 0.00 -0.49 0.10 -0.44 0.41 0.00 0.00 173.24 172.82 2em3 s SER 6 N 1.14 0.83 0.00 2.44 0.01 -1.26 -4.95 113.70 111.91 2em3 s SER 6 Ca 0.44 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.89 2em3 s SER 6 Cb -0.17 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.11 2em3 s SER 6 CO 0.13 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2em3 n GLY 7 N 5.16 0.57 0.31 3.44 0.00 -1.26 -5.01 105.19 108.40 2em3 n GLY 7 Ca -0.07 -0.14 0.30 0.00 0.00 0.00 0.00 46.02 46.11 2em3 n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2em3 n THR 8 N 0.00 -0.37 0.00 2.61 5.66 -1.26 -4.83 114.28 116.08 2em3 n THR 8 Ca 0.00 1.86 0.00 0.00 -3.05 0.00 0.00 64.05 62.86 2em3 n THR 8 Cb 0.00 -3.03 0.00 0.00 -1.55 0.00 0.00 70.33 65.75 2em3 n THR 8 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2em3 n GLY 9 N -1.26 3.70 2.49 1.09 0.00 -1.26 -4.85 105.19 105.09 2em3 n GLY 9 Ca 0.35 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.16 2.51 -2.76 1.61 0.28 -1.26 -5.09 120.64 115.77 2em3 n GLU 10 Ca 0.00 -3.83 -0.28 0.00 -0.16 0.00 0.00 57.16 52.89 2em3 n GLU 10 Cb 0.00 -1.87 -0.01 0.00 1.43 0.00 0.00 31.44 30.99 2em3 n GLU 10 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2em3 s LYS 11 N -3.61 3.61 0.00 3.44 1.02 -1.26 -4.97 119.74 117.98 2em3 s LYS 11 Ca 0.38 0.25 0.14 0.00 0.02 0.00 0.00 55.97 56.76 2em3 s LYS 11 Cb 0.38 -2.40 0.63 0.00 -0.52 0.00 0.00 37.83 35.92 2em3 s LYS 11 CO -0.02 -0.12 1.45 -0.35 -0.92 0.00 0.00 175.35 175.39 2em3 n PRO 12 N -1.89 0.03 -3.99 -1.68 -0.04 -1.26 -4.49 135.00 121.69 2em3 n PRO 12 Ca 0.01 0.24 -0.30 0.00 -0.04 0.00 0.00 63.50 63.40 2em3 n PRO 12 Cb 0.55 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.93 2.41 -0.05 0.54 2.02 -1.26 -5.09 117.35 112.98 2em3 s TYR 13 Ca 0.08 -1.60 -0.03 0.00 -0.37 0.00 0.00 57.07 55.15 2em3 s TYR 13 Cb 0.09 -1.63 0.03 0.00 -0.40 0.00 0.00 41.96 40.05 2em3 s TYR 13 CO 0.25 -0.74 0.12 -2.00 -1.57 0.00 0.00 175.55 171.61 2em3 s GLU 14 N 1.40 0.09 0.73 -0.62 2.12 -1.26 -1.46 118.70 119.70 2em3 s GLU 14 Ca -0.02 0.28 -0.12 0.00 0.36 0.00 0.00 54.97 55.48 2em3 s GLU 14 Cb -0.16 -0.11 0.03 0.00 0.26 0.00 0.00 34.13 34.14 2em3 s GLU 14 CO -0.08 -0.12 1.11 0.00 -0.54 0.00 0.00 175.26 175.63 2em3 n LYS 16 N -3.12 0.41 0.11 0.00 3.00 -1.26 -3.61 118.16 113.69 2em3 n LYS 16 Ca 0.07 0.09 -0.04 0.00 -0.00 0.00 0.00 58.31 58.43 2em3 n LYS 16 Cb 0.57 -1.32 -0.02 0.00 0.00 0.00 0.00 35.03 34.26 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 0.00 0.00 3.15 2.07 -1.99 -3.32 116.25 116.16 2em3 h VAL 17 Ca -0.36 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2em3 h VAL 17 Cb 1.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2em3 h VAL 17 CO -0.06 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.20 2em3 n SER 19 N -2.76 -3.72 -4.45 0.00 7.64 -1.24 -5.01 113.62 104.09 2em3 n SER 19 Ca 0.03 -0.46 -0.34 0.00 1.01 0.00 0.00 58.87 59.11 2em3 n SER 19 Cb 0.51 -4.16 -0.13 0.00 -1.01 0.00 0.00 64.21 59.42 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 -5.55 3.57 0.26 1.43 2.20 -1.26 -4.78 119.74 115.61 2em3 s LYS 20 Ca 0.23 -0.57 -0.05 0.00 -0.36 0.00 0.00 55.97 55.22 2em3 s LYS 20 Cb -0.10 -2.84 -0.05 0.00 -1.51 0.00 0.00 37.83 33.32 2em3 s LYS 20 CO 0.58 0.20 0.52 0.00 -0.36 0.00 0.00 175.35 176.30 2em3 s ALA 21 N 0.44 3.66 0.33 3.13 0.00 -1.26 -1.48 121.76 126.58 2em3 s ALA 21 Ca -0.05 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.37 2em3 s ALA 21 Cb -0.15 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 2em3 s ALA 21 CO 0.03 0.32 0.15 -0.06 0.00 0.00 0.00 175.76 176.20 2em3 s PHE 22 N -2.01 1.68 -0.23 0.00 0.40 -0.54 -4.99 117.98 112.31 2em3 s PHE 22 Ca 0.43 -1.32 -0.09 0.00 -0.60 0.00 0.00 56.93 55.35 2em3 s PHE 22 Cb -0.11 -0.97 -0.18 0.00 0.51 0.00 0.00 43.02 42.28 2em3 s PHE 22 CO 0.29 -0.43 -0.07 0.25 0.70 0.00 0.00 175.22 175.96 2em3 n THR 23 N -0.67 1.57 -4.73 0.64 -2.24 -1.26 -4.38 114.28 103.20 2em3 n THR 23 Ca -0.01 -0.43 -0.33 0.00 -2.27 0.00 0.00 64.05 61.01 2em3 n THR 23 Cb 0.65 -1.74 -0.13 0.00 -2.10 0.00 0.00 70.33 67.01 2em3 n THR 23 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2em3 s GLN 24 N -2.50 3.20 0.17 -0.78 -1.52 -1.26 -4.93 119.66 112.05 2em3 s GLN 24 Ca -0.33 -0.65 -0.16 0.00 -1.95 0.00 0.00 55.36 52.27 2em3 s GLN 24 Cb 0.10 -2.62 0.11 0.00 -0.22 0.00 0.00 33.01 30.38 2em3 s GLN 24 CO 0.60 0.34 1.66 -0.22 -0.25 0.00 0.00 175.29 177.42 2em3 h LYS 25 N 6.30 0.00 -0.97 2.91 3.64 -1.99 -0.78 116.57 125.69 2em3 h LYS 25 Ca -0.32 -0.00 0.40 0.00 -1.27 0.00 0.00 60.65 59.45 2em3 h LYS 25 Cb 1.19 -0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.85 2em3 h LYS 25 CO 0.55 0.00 0.53 0.00 -2.27 0.00 0.00 179.45 178.27 2em3 n ALA 26 N -2.75 0.99 -0.06 5.00 0.00 -1.26 0.15 120.51 122.58 2em3 n ALA 26 Ca 0.03 0.95 -0.14 0.00 0.00 0.00 0.00 53.44 54.28 2em3 n ALA 26 Cb 0.23 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 2em3 n ALA 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2em3 h HIS 27 N 0.00 0.71 0.61 0.00 3.86 -1.57 -2.58 115.15 116.19 2em3 h HIS 27 Ca 0.80 -0.24 -0.03 0.00 -1.16 0.00 0.00 60.37 59.74 2em3 h HIS 27 Cb 2.16 -0.14 0.01 0.00 1.06 0.00 0.00 27.41 30.50 2em3 h HIS 27 CO -0.01 0.97 -0.30 1.25 0.86 0.00 0.00 177.93 180.71 2em3 h LEU 28 N 0.25 -0.70 -0.31 2.43 5.85 0.15 -2.34 115.31 120.64 2em3 h LEU 28 Ca 0.02 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.81 2em3 h LEU 28 Cb 0.91 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 42.04 2em3 h LEU 28 CO 0.07 -0.45 -0.23 0.00 -0.34 0.00 0.00 178.44 177.49 2em3 h ALA 29 N -0.55 -0.05 0.00 1.25 0.00 -1.04 0.48 119.26 119.34 2em3 h ALA 29 Ca -0.08 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2em3 h ALA 29 Cb 0.66 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2em3 h ALA 29 CO 0.14 -0.64 0.11 0.37 0.00 0.00 0.00 179.25 179.23 2em3 h GLN 30 N -0.20 0.00 0.00 0.00 5.75 -1.42 -2.46 115.11 116.78 2em3 h GLN 30 Ca 0.16 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.45 2em3 h GLN 30 Cb 0.45 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 2em3 h GLN 30 CO -0.43 0.00 -1.23 1.58 -2.65 0.00 0.00 178.83 176.10 2em3 n HIS 31 N -2.75 0.91 0.04 3.99 -0.00 0.13 -3.70 115.22 113.83 2em3 n HIS 31 Ca -0.02 0.39 0.19 0.00 0.46 0.00 0.00 57.72 58.74 2em3 n HIS 31 Cb 0.16 -1.03 0.48 0.00 -0.12 0.00 0.00 29.99 29.48 2em3 n HIS 31 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 2em3 h GLN 32 N -1.00 0.00 0.04 1.57 4.20 -0.01 1.56 115.11 121.46 2em3 h GLN 32 Ca -0.31 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.11 2em3 h GLN 32 Cb 1.18 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.93 2em3 h GLN 32 CO -0.19 0.00 -1.56 1.57 -0.67 0.00 0.00 178.83 177.98 2em3 h LYS 33 N 0.00 0.08 -0.18 1.46 2.10 -1.67 -3.33 116.57 115.03 2em3 h LYS 33 Ca 0.26 -0.14 -0.02 0.00 -2.00 0.00 0.00 60.65 58.75 2em3 h LYS 33 Cb 2.01 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 33.38 2em3 h LYS 33 CO -0.00 0.80 0.03 0.00 -2.00 0.00 0.00 179.45 178.28 2em3 h THR 34 N 0.02 1.10 -1.35 0.07 1.03 0.22 -3.42 112.91 110.58 2em3 h THR 34 Ca -0.24 -0.37 -0.65 0.00 -0.01 0.00 0.00 66.41 65.15 2em3 h THR 34 Cb 1.97 0.93 -0.01 0.00 -1.07 0.00 0.00 68.15 69.97 2em3 h THR 34 CO 0.11 0.13 1.44 1.41 -0.01 0.00 0.00 175.52 178.60 2em3 n HIS 35 N -4.41 1.71 -4.82 0.00 8.25 -1.03 -4.94 115.22 109.98 2em3 n HIS 35 Ca -0.00 0.16 -0.33 0.00 -0.26 0.00 0.00 57.72 57.29 2em3 n HIS 35 Cb 0.15 -2.59 -0.14 0.00 1.12 0.00 0.00 29.99 28.53 2em3 n HIS 35 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2em3 s THR 36 N 7.61 3.05 0.10 1.59 2.01 -1.26 -4.98 115.64 123.76 2em3 s THR 36 Ca 1.07 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 62.39 2em3 s THR 36 Cb -0.70 -2.25 0.00 0.00 0.01 0.00 0.00 72.50 69.56 2em3 s THR 36 CO 0.45 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.54 2em3 n GLY 37 N 3.09 -0.52 3.47 4.40 0.00 -1.26 -5.03 105.19 109.33 2em3 n GLY 37 Ca -0.18 0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.81 -4.46 -3.52 1.61 1.02 -1.26 -4.94 120.64 106.29 2em3 n GLU 38 Ca 0.00 0.62 -0.15 0.00 -0.02 0.00 0.00 57.16 57.61 2em3 n GLU 38 Cb 0.00 -5.42 -0.05 0.00 -0.02 0.00 0.00 31.44 25.95 2em3 n GLU 38 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2em3 s LYS 39 N -6.14 0.97 -1.18 3.49 -2.85 -1.26 -5.08 119.74 107.69 2em3 s LYS 39 Ca 0.47 0.09 -0.23 0.00 -1.00 0.00 0.00 55.97 55.30 2em3 s LYS 39 Cb -0.23 0.46 -0.09 0.00 -2.06 0.00 0.00 37.83 35.90 2em3 s LYS 39 CO 0.58 -0.33 1.94 -1.25 0.10 0.00 0.00 175.35 176.38 2em3 s PRO 40 N -1.67 2.49 -1.00 1.78 0.04 -1.26 -4.88 135.00 130.50 2em3 s PRO 40 Ca -0.06 -1.15 -0.16 0.00 0.04 0.00 0.00 61.00 59.67 2em3 s PRO 40 Cb -0.00 -5.24 0.16 0.00 0.04 0.00 0.00 34.50 29.46 2em3 s PRO 40 CO 0.04 -3.98 1.16 -1.12 0.04 0.00 0.00 177.00 173.13 2em3 s SER 41 N 6.53 6.82 0.19 6.66 0.01 -1.26 -4.87 113.70 127.78 2em3 s SER 41 Ca 0.68 -2.50 0.00 0.00 1.31 0.00 0.00 55.95 55.44 2em3 s SER 41 Cb -0.01 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2em3 s SER 41 CO 0.13 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.54 2em3 n GLY 42 N 4.71 -3.61 0.00 3.44 0.00 -1.26 -4.63 105.19 103.84 2em3 n GLY 42 Ca 0.26 -0.98 0.08 0.00 0.00 0.00 0.00 46.02 45.37 2em3 n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2em3 n PRO 43 N -0.91 0.35 -1.90 1.61 -0.04 -1.26 -4.53 135.00 128.32 2em3 n PRO 43 Ca 0.00 0.07 -0.29 0.00 -0.04 0.00 0.00 63.50 63.24 2em3 n PRO 43 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 2em3 n PRO 43 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2em3 n SER 44 N -1.14 2.85 -3.68 3.54 3.41 -1.26 -4.83 113.62 112.51 2em3 n SER 44 Ca 0.09 -2.68 -0.25 0.00 -0.26 0.00 0.00 58.87 55.77 2em3 n SER 44 Cb 0.09 -1.65 -0.17 0.00 -0.26 0.00 0.00 64.21 62.22 2em3 n SER 44 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2em3 s SER 45 N 6.46 2.23 0.00 4.04 1.04 -1.26 -5.11 113.70 121.10 2em3 s SER 45 Ca 0.68 -0.50 0.27 0.00 0.48 0.00 0.00 55.95 56.88 2em3 s SER 45 Cb 0.01 -0.36 0.75 0.00 0.10 0.00 0.00 66.02 66.52 2em3 s SER 45 CO 0.14 -0.30 1.58 0.61 0.98 0.00 0.00 173.24 176.25