#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yth s SER 2 N 0.00 -1.20 -0.86 1.61 0.15 -1.26 -5.10 113.70 107.03 2yth s SER 2 Ca 0.00 1.39 -0.25 0.00 0.70 0.00 0.00 55.95 57.79 2yth s SER 2 Cb 0.00 2.27 0.03 0.00 -1.71 0.00 0.00 66.02 66.61 2yth s SER 2 CO 0.00 -0.23 1.40 -0.55 1.20 0.00 0.00 173.24 175.06 2yth s SER 3 N 2.89 6.24 0.00 5.45 0.15 -1.26 -4.94 113.70 122.22 2yth s SER 3 Ca 0.01 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.79 2yth s SER 3 Cb -0.13 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2yth s SER 3 CO -0.19 -1.75 0.00 0.61 1.20 0.00 0.00 173.24 173.10 2yth n GLY 4 N 6.11 4.99 3.27 9.45 0.00 -1.26 -5.18 105.19 122.57 2yth n GLY 4 Ca 0.18 -1.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.11 2yth n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yth n SER 5 N -1.20 -1.16 -4.38 1.61 3.41 -1.26 -4.91 113.62 105.72 2yth n SER 5 Ca 0.00 -2.94 -0.38 0.00 -0.26 0.00 0.00 58.87 55.29 2yth n SER 5 Cb 0.00 2.26 -0.06 0.00 -0.26 0.00 0.00 64.21 66.15 2yth n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2yth n SER 6 N -1.66 -1.68 -4.71 4.04 3.41 -1.26 -4.81 113.62 106.96 2yth n SER 6 Ca 0.03 -1.17 -0.42 0.00 -0.26 0.00 0.00 58.87 57.04 2yth n SER 6 Cb 0.58 -2.01 -0.03 0.00 -0.26 0.00 0.00 64.21 62.49 2yth n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2yth s GLY 7 N -3.52 1.48 -0.17 5.00 0.00 -1.26 -4.99 107.32 103.85 2yth s GLY 7 Ca 0.62 1.40 -0.08 0.00 0.00 0.00 0.00 44.72 46.65 2yth s GLY 7 CO 0.99 2.75 0.11 -1.35 0.00 0.00 0.00 173.10 175.60 2yth s SER 8 N 1.43 6.08 0.00 1.64 1.04 -1.26 -4.83 113.70 117.80 2yth s SER 8 Ca 0.72 0.24 0.00 0.00 0.48 0.00 0.00 55.95 57.40 2yth s SER 8 Cb -0.44 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2yth s SER 8 CO 0.32 0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.38 2yth n GLY 9 N 3.14 -0.08 3.85 7.32 0.00 -1.26 -5.15 105.19 113.01 2yth n GLY 9 Ca -0.17 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 2yth n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yth s GLU 10 N 0.00 3.97 -0.08 1.61 2.12 -1.26 -5.08 118.70 119.98 2yth s GLU 10 Ca 0.00 0.69 0.04 0.00 0.36 0.00 0.00 54.97 56.06 2yth s GLU 10 Cb 0.00 -2.37 -0.02 0.00 0.26 0.00 0.00 34.13 32.00 2yth s GLU 10 CO 0.00 0.05 -0.19 0.15 -0.54 0.00 0.00 175.26 174.74 2yth s LYS 11 N -3.31 2.77 0.11 4.30 1.02 -1.26 -5.03 119.74 118.34 2yth s LYS 11 Ca 0.55 -0.79 -0.14 0.00 0.02 0.00 0.00 55.97 55.61 2yth s LYS 11 Cb -0.10 -2.35 -0.07 0.00 -0.52 0.00 0.00 37.83 34.79 2yth s LYS 11 CO 0.21 0.40 1.43 -1.00 -0.92 0.00 0.00 175.35 175.48 2yth h PRO 12 N 6.05 0.76 -6.34 -1.68 0.13 -1.93 -3.42 132.00 125.57 2yth h PRO 12 Ca -0.34 -0.40 -0.57 0.00 -0.87 0.00 0.00 66.00 63.83 2yth h PRO 12 Cb 1.18 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2yth h PRO 12 CO 0.50 1.02 1.10 -0.06 -0.23 0.00 0.00 178.00 180.33 2yth s PHE 13 N -4.38 2.25 -0.06 1.56 0.08 -1.26 -4.98 117.98 111.19 2yth s PHE 13 Ca -0.12 0.65 -0.05 0.00 0.12 0.00 0.00 56.93 57.53 2yth s PHE 13 Cb 0.09 -4.04 0.02 0.00 -0.57 0.00 0.00 43.02 38.53 2yth s PHE 13 CO 0.84 -2.49 0.17 -0.65 -0.10 0.00 0.00 175.22 172.98 2yth s GLN 14 N 4.72 0.18 1.25 0.44 -0.21 -1.26 -2.34 119.66 122.45 2yth s GLN 14 Ca 0.67 0.27 -0.17 0.00 0.02 0.00 0.00 55.36 56.15 2yth s GLN 14 Cb -0.21 0.04 0.29 0.00 1.00 0.00 0.00 33.01 34.13 2yth s GLN 14 CO 0.29 -0.05 0.75 0.00 -2.12 0.00 0.00 175.29 174.16 2yth n GLU 16 N -4.54 1.55 -0.01 0.00 2.13 -1.26 -3.31 120.64 115.20 2yth n GLU 16 Ca 0.05 -0.03 0.08 0.00 0.66 0.00 0.00 57.16 57.92 2yth n GLU 16 Cb 0.56 -1.13 -0.15 0.00 0.27 0.00 0.00 31.44 30.99 2yth n GLU 16 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2yth n GLU 17 N -1.93 0.66 0.00 5.31 -0.58 -1.26 -4.48 120.64 118.36 2yth n GLU 17 Ca -0.04 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 2yth n GLU 17 Cb 0.39 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 2yth n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yth n GLY 19 N -0.07 -0.78 1.93 0.00 0.00 -1.21 -4.85 105.19 100.21 2yth n GLY 19 Ca 0.00 0.34 -0.12 0.00 0.00 0.00 0.00 46.02 46.24 2yth n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yth n LYS 20 N -2.88 0.05 -4.36 1.61 4.76 -1.26 -4.67 118.16 111.41 2yth n LYS 20 Ca -0.16 -1.28 -0.20 0.00 -2.87 0.00 0.00 58.31 53.79 2yth n LYS 20 Cb 0.45 -0.41 -0.16 0.00 -1.84 0.00 0.00 35.03 33.08 2yth n LYS 20 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2yth s ARG 21 N -3.90 0.97 -0.03 1.97 0.52 -1.26 -3.26 118.95 113.97 2yth s ARG 21 Ca 0.34 -0.28 -0.11 0.00 -0.52 0.00 0.00 55.73 55.16 2yth s ARG 21 Cb -0.02 -0.90 0.02 0.00 0.52 0.00 0.00 34.95 34.57 2yth s ARG 21 CO 0.23 0.08 0.24 -0.06 0.02 0.00 0.00 175.30 175.81 2yth s PHE 22 N 0.31 -0.13 -0.05 -0.53 0.40 -0.99 -5.03 117.98 111.97 2yth s PHE 22 Ca -0.05 0.22 -0.25 0.00 -0.60 0.00 0.00 56.93 56.25 2yth s PHE 22 Cb -0.10 0.05 -0.22 0.00 0.51 0.00 0.00 43.02 43.26 2yth s PHE 22 CO 0.01 -0.30 1.10 1.15 0.70 0.00 0.00 175.22 177.87 2yth h THR 23 N 4.18 1.52 -2.77 0.64 2.02 -1.99 -3.38 112.91 113.12 2yth h THR 23 Ca -0.29 -1.69 -0.58 0.00 0.77 0.00 0.00 66.41 64.62 2yth h THR 23 Cb 1.19 2.58 -0.07 0.00 -1.74 0.00 0.00 68.15 70.11 2yth h THR 23 CO 0.39 0.45 -0.56 -1.10 0.37 0.00 0.00 175.52 175.08 2yth s GLN 24 N -3.47 2.98 0.20 6.66 -1.52 -1.26 -4.88 119.66 118.36 2yth s GLN 24 Ca -0.16 -0.79 -0.08 0.00 -1.95 0.00 0.00 55.36 52.37 2yth s GLN 24 Cb 0.01 -2.71 0.12 0.00 -0.22 0.00 0.00 33.01 30.21 2yth s GLN 24 CO 0.71 0.51 1.68 -2.95 -0.25 0.00 0.00 175.29 174.99 2yth h ASN 25 N 2.55 1.03 -0.68 5.90 -1.07 -1.98 -3.09 115.58 118.25 2yth h ASN 25 Ca -0.47 -0.27 0.13 0.00 0.07 0.00 0.00 56.30 55.76 2yth h ASN 25 Cb 1.19 -0.28 -0.13 0.00 -2.07 0.00 0.00 38.32 37.04 2yth h ASN 25 CO 0.65 1.06 -0.19 -1.28 0.07 0.00 0.00 177.43 177.73 2yth h SER 26 N 0.99 -0.71 -0.99 6.14 0.87 -1.99 0.35 113.55 118.21 2yth h SER 26 Ca 0.19 0.21 0.18 0.00 -1.23 0.00 0.00 61.79 61.13 2yth h SER 26 Cb 0.49 0.45 -0.10 0.00 -0.44 0.00 0.00 62.40 62.80 2yth h SER 26 CO 0.02 -0.24 0.60 -0.74 -0.53 0.00 0.00 176.83 175.95 2yth h HIS 27 N -0.02 1.07 0.05 2.24 2.76 -1.97 -1.07 115.15 118.22 2yth h HIS 27 Ca 0.32 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.52 2yth h HIS 27 Cb 0.51 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.15 2yth h HIS 27 CO -0.57 0.27 -0.03 1.25 -1.30 0.00 0.00 177.93 177.56 2yth h LEU 28 N 0.80 -0.06 -0.84 0.26 5.85 -0.47 0.17 115.31 121.03 2yth h LEU 28 Ca 0.56 0.00 0.15 0.00 0.84 0.00 0.00 57.88 59.43 2yth h LEU 28 Cb 0.81 0.02 -0.15 0.00 0.37 0.00 0.00 40.66 41.71 2yth h LEU 28 CO -0.36 -0.01 -0.27 1.41 -0.34 0.00 0.00 178.44 178.87 2yth n HIS 29 N -2.38 0.15 -0.10 1.25 8.25 -0.23 0.11 115.22 122.27 2yth n HIS 29 Ca -0.01 1.02 -0.14 0.00 -0.26 0.00 0.00 57.72 58.34 2yth n HIS 29 Cb 0.03 -0.89 -0.03 0.00 1.12 0.00 0.00 29.99 30.21 2yth n HIS 29 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2yth h SER 30 N 0.00 0.95 -0.49 0.41 0.87 -1.30 -2.97 113.55 111.01 2yth h SER 30 Ca 0.34 -0.49 0.14 0.00 -1.23 0.00 0.00 61.79 60.55 2yth h SER 30 Cb 0.55 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2yth h SER 30 CO -0.84 1.25 0.35 -0.74 -0.53 0.00 0.00 176.83 176.32 2yth h HIS 31 N 0.67 0.02 -0.22 2.24 -0.00 0.38 0.69 115.15 118.93 2yth h HIS 31 Ca 0.04 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.48 2yth h HIS 31 Cb 1.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.41 2yth h HIS 31 CO 0.07 0.01 0.23 1.96 -0.00 0.00 0.00 177.93 180.20 2yth h GLN 32 N 0.02 0.00 -1.00 5.26 4.20 -0.64 -1.63 115.11 121.31 2yth h GLN 32 Ca 0.23 0.00 0.22 0.00 0.06 0.00 0.00 58.65 59.16 2yth h GLN 32 Cb 0.90 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.57 2yth h GLN 32 CO -0.01 0.00 0.61 0.00 -0.67 0.00 0.00 178.83 178.76 2yth h ARG 33 N 0.00 0.65 -0.53 1.46 3.08 -1.02 0.36 114.38 118.37 2yth h ARG 33 Ca 0.11 -0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.23 2yth h ARG 33 Cb 0.57 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 2yth h ARG 33 CO -0.00 0.43 0.37 -0.39 -1.07 0.00 0.00 179.97 179.31 2yth h VAL 34 N 0.67 0.83 -0.54 2.04 -1.51 -1.49 0.37 116.25 116.61 2yth h VAL 34 Ca 0.60 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 66.00 2yth h VAL 34 Cb 1.06 0.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 2yth h VAL 34 CO -0.41 0.04 0.00 1.41 -1.23 0.00 0.00 177.57 177.38 2yth n HIS 35 N -4.44 0.76 -0.09 5.19 8.25 0.12 -4.64 115.22 120.37 2yth n HIS 35 Ca 0.09 -0.37 -0.02 0.00 -0.26 0.00 0.00 57.72 57.16 2yth n HIS 35 Cb 0.46 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.53 2yth n HIS 35 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2yth n THR 36 N 1.07 -0.14 0.00 1.59 -2.24 0.13 -2.22 114.28 112.47 2yth n THR 36 Ca 0.18 1.28 0.00 0.00 -2.27 0.00 0.00 64.05 63.25 2yth n THR 36 Cb 0.48 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 2yth n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yth n GLY 37 N -1.05 -3.47 2.53 3.38 0.00 -1.26 -4.56 105.19 100.75 2yth n GLY 37 Ca 0.00 0.67 -0.41 0.00 0.00 0.00 0.00 46.02 46.29 2yth n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yth n GLU 38 N -1.53 0.00 -4.05 1.61 -0.58 -0.94 -4.92 120.64 110.22 2yth n GLU 38 Ca 0.00 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 2yth n GLU 38 Cb 0.00 -0.99 -0.06 0.00 -0.57 0.00 0.00 31.44 29.82 2yth n GLU 38 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2yth s LYS 39 N -0.22 3.13 -0.17 3.49 -2.85 -1.26 -4.99 119.74 116.86 2yth s LYS 39 Ca 0.60 -0.47 -0.29 0.00 -1.00 0.00 0.00 55.97 54.81 2yth s LYS 39 Cb -0.85 -2.89 -0.03 0.00 -2.06 0.00 0.00 37.83 31.99 2yth s LYS 39 CO 0.41 0.64 1.58 -1.25 0.10 0.00 0.00 175.35 176.83 2yth s PRO 40 N -1.86 3.95 0.29 1.78 0.04 -1.26 -4.96 135.00 132.98 2yth s PRO 40 Ca 0.25 1.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 2yth s PRO 40 Cb -0.12 -3.99 -0.13 0.00 0.04 0.00 0.00 34.50 30.30 2yth s PRO 40 CO 0.16 -1.10 1.35 0.43 0.04 0.00 0.00 177.00 177.88 2yth n SER 41 N 7.86 2.76 0.00 6.66 7.64 -1.26 -4.75 113.62 132.53 2yth n SER 41 Ca 0.18 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.23 2yth n SER 41 Cb 0.45 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 2yth n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yth n GLY 42 N 1.52 -2.32 3.75 0.23 0.00 -1.26 -5.04 105.19 102.07 2yth n GLY 42 Ca 0.08 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 2yth n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yth s PRO 43 N -0.63 1.82 1.00 1.61 0.04 -1.26 -4.98 135.00 132.59 2yth s PRO 43 Ca 0.00 1.02 -0.17 0.00 0.04 0.00 0.00 61.00 61.88 2yth s PRO 43 Cb 0.00 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 2yth s PRO 43 CO 0.00 -1.91 -0.36 0.43 0.04 0.00 0.00 177.00 175.20 2yth n SER 44 N -3.68 -3.62 -0.01 6.66 7.64 -1.26 -4.85 113.62 114.49 2yth n SER 44 Ca 0.08 0.16 -0.11 0.00 1.01 0.00 0.00 58.87 60.01 2yth n SER 44 Cb 0.54 -0.91 -0.05 0.00 -1.01 0.00 0.00 64.21 62.78 2yth n SER 44 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2yth h SER 45 N -1.37 -1.19 0.00 6.43 0.02 -1.97 -3.54 113.55 111.93 2yth h SER 45 Ca -0.45 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2yth h SER 45 Cb 1.32 0.50 0.00 0.00 0.14 0.00 0.00 62.40 64.35 2yth h SER 45 CO 0.29 -0.39 0.00 0.61 -1.14 0.00 0.00 176.83 176.20