#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 -0.73 0.16 1.61 1.04 -1.26 -5.14 113.70 109.38 2yth s SER 2 Ca 0.00 1.15 -0.31 0.00 0.48 0.00 0.00 55.95 57.28 2yth s SER 2 Cb 0.00 1.33 -0.08 0.00 0.10 0.00 0.00 66.02 67.37 2yth s SER 2 CO 0.00 -0.18 1.37 -0.55 0.98 0.00 0.00 173.24 174.86 2yth s SER 3 N 1.54 6.84 0.00 7.02 0.15 -1.26 -4.79 113.70 123.20 2yth s SER 3 Ca -0.09 2.38 0.00 0.00 0.70 0.00 0.00 55.95 58.94 2yth s SER 3 Cb -0.05 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 2yth s SER 3 CO -0.17 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.26 2yth n GLY 4 N 2.99 -1.75 3.70 9.45 0.00 -1.26 -5.11 105.19 113.21 2yth n GLY 4 Ca 0.09 0.44 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 2yth n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yth s SER 5 N -0.83 6.81 -0.21 1.61 1.04 -1.26 -5.00 113.70 115.86 2yth s SER 5 Ca 0.00 2.26 -0.04 0.00 0.48 0.00 0.00 55.95 58.65 2yth s SER 5 Cb 0.00 -2.57 0.11 0.00 0.10 0.00 0.00 66.02 63.65 2yth s SER 5 CO 0.00 -0.71 0.28 -0.44 0.98 0.00 0.00 173.24 173.36 2yth s SER 6 N 1.57 0.89 0.00 7.02 0.01 -1.26 -5.12 113.70 116.82 2yth s SER 6 Ca 0.65 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.92 2yth s SER 6 Cb -0.35 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2yth s SER 6 CO 0.29 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2yth n GLY 7 N 5.34 3.62 2.19 3.44 0.00 -1.26 -5.00 105.19 113.52 2yth n GLY 7 Ca -0.05 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 2yth n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yth n SER 8 N 0.00 5.83 0.00 1.61 3.41 -1.26 -4.95 113.62 118.26 2yth n SER 8 Ca 0.00 -2.82 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 2yth n SER 8 Cb 0.00 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 62.64 2yth n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yth n GLY 9 N 1.66 2.37 2.91 5.00 0.00 -1.26 -4.84 105.19 111.03 2yth n GLY 9 Ca 0.43 0.38 -0.16 0.00 0.00 0.00 0.00 46.02 46.67 2yth n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yth n GLU 10 N 6.27 -5.38 -5.24 1.61 0.00 -1.26 -5.02 120.64 111.62 2yth n GLU 10 Ca 0.00 0.59 -0.32 0.00 0.00 0.00 0.00 57.16 57.43 2yth n GLU 10 Cb 0.00 -4.88 -0.17 0.00 0.00 0.00 0.00 31.44 26.39 2yth n GLU 10 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2yth s LYS 11 N -5.68 2.82 0.46 5.31 -0.14 -1.26 -5.01 119.74 116.24 2yth s LYS 11 Ca 0.31 -0.89 0.25 0.00 -1.36 0.00 0.00 55.97 54.27 2yth s LYS 11 Cb -0.14 -2.24 1.06 0.00 -1.68 0.00 0.00 37.83 34.84 2yth s LYS 11 CO 0.51 0.27 1.89 -1.00 -0.76 0.00 0.00 175.35 176.27 2yth h PRO 12 N 6.41 0.00 -4.08 -1.68 0.13 -1.92 -3.38 132.00 127.48 2yth h PRO 12 Ca -0.25 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 64.11 2yth h PRO 12 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 2yth h PRO 12 CO 0.47 0.20 0.24 -0.06 -0.23 0.00 0.00 178.00 178.62 2yth s PHE 13 N -3.79 3.62 -0.06 1.56 0.08 -1.26 -5.02 117.98 113.12 2yth s PHE 13 Ca -0.00 -1.85 0.05 0.00 0.12 0.00 0.00 56.93 55.24 2yth s PHE 13 Cb 0.11 -3.91 -0.00 0.00 -0.57 0.00 0.00 43.02 38.64 2yth s PHE 13 CO 0.62 -1.09 -0.22 -0.65 -0.10 0.00 0.00 175.22 173.78 2yth s GLN 14 N 0.70 2.39 1.09 0.44 -0.21 -1.26 -2.26 119.66 120.56 2yth s GLN 14 Ca 0.21 -0.78 -0.19 0.00 0.02 0.00 0.00 55.36 54.62 2yth s GLN 14 Cb -0.10 -1.97 0.10 0.00 1.00 0.00 0.00 33.01 32.04 2yth s GLN 14 CO -0.09 0.27 -0.06 0.00 -2.12 0.00 0.00 175.29 173.29 2yth n GLU 16 N -1.65 1.20 -0.05 0.00 1.02 -1.26 -3.45 120.64 116.46 2yth n GLU 16 Ca 0.02 -0.02 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 2yth n GLU 16 Cb 0.57 -1.07 -0.14 0.00 -0.02 0.00 0.00 31.44 30.78 2yth n GLU 16 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2yth n GLU 17 N -1.76 0.66 0.00 3.49 4.07 -1.26 -4.52 120.64 121.32 2yth n GLU 17 Ca -0.02 0.05 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 2yth n GLU 17 Cb 0.24 -1.62 0.00 0.00 -0.06 0.00 0.00 31.44 30.00 2yth n GLU 17 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2yth n GLY 19 N -0.08 -0.23 2.08 0.00 0.00 -1.22 -4.88 105.19 100.86 2yth n GLY 19 Ca 0.00 0.88 -0.11 0.00 0.00 0.00 0.00 46.02 46.78 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 -0.84 0.56 -4.15 1.61 4.76 -1.26 -4.67 118.16 114.17 2yth n LYS 20 Ca -0.14 -1.58 -0.27 0.00 -2.87 0.00 0.00 58.31 53.45 2yth n LYS 20 Cb 0.61 -0.22 -0.17 0.00 -1.84 0.00 0.00 35.03 33.41 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 -3.59 1.70 0.02 1.97 0.52 -1.26 -3.26 118.95 115.05 2yth s ARG 21 Ca 0.34 -0.35 0.01 0.00 -0.52 0.00 0.00 55.73 55.21 2yth s ARG 21 Cb -0.02 -1.60 -0.01 0.00 0.52 0.00 0.00 34.95 33.83 2yth s ARG 21 CO 0.22 -0.16 -0.04 -0.06 0.02 0.00 0.00 175.30 175.27 2yth s PHE 22 N 1.33 0.37 -0.07 -0.53 0.08 -0.96 -5.05 117.98 113.15 2yth s PHE 22 Ca -0.02 -0.34 -0.20 0.00 0.12 0.00 0.00 56.93 56.49 2yth s PHE 22 Cb -0.14 -0.24 -0.16 0.00 -0.57 0.00 0.00 43.02 41.92 2yth s PHE 22 CO -0.05 -0.09 0.77 1.79 -0.10 0.00 0.00 175.22 177.55 2yth h THR 23 N 4.76 0.90 -2.00 0.64 1.35 -2.00 -3.38 112.91 113.19 2yth h THR 23 Ca -0.31 -1.28 -0.44 0.00 -0.55 0.00 0.00 66.41 63.83 2yth h THR 23 Cb 1.20 1.56 0.01 0.00 -1.73 0.00 0.00 68.15 69.19 2yth h THR 23 CO 0.44 0.25 -0.28 -1.10 -0.25 0.00 0.00 175.52 174.58 2yth s GLN 24 N -3.07 3.08 -0.05 4.72 -0.21 -1.26 -4.85 119.66 118.02 2yth s GLN 24 Ca -0.12 -0.91 -0.26 0.00 0.02 0.00 0.00 55.36 54.09 2yth s GLN 24 Cb -0.00 -2.76 -0.22 0.00 1.00 0.00 0.00 33.01 31.03 2yth s GLN 24 CO 0.46 -0.03 1.12 -2.95 -2.12 0.00 0.00 175.29 171.76 2yth h ASN 25 N 0.76 0.06 -0.94 5.90 7.08 -1.97 -3.32 115.58 123.16 2yth h ASN 25 Ca -0.46 -0.65 0.14 0.00 -3.08 0.00 0.00 56.30 52.25 2yth h ASN 25 Cb 1.26 -0.02 -0.15 0.00 -2.08 0.00 0.00 38.32 37.33 2yth h ASN 25 CO 0.53 0.70 -0.42 -1.28 -2.08 0.00 0.00 177.43 174.88 2yth h SER 26 N -0.58 -1.54 -0.99 6.14 0.87 -1.98 0.87 113.55 116.33 2yth h SER 26 Ca -0.00 0.30 0.26 0.00 -1.23 0.00 0.00 61.79 61.12 2yth h SER 26 Cb 0.70 0.77 -0.13 0.00 -0.44 0.00 0.00 62.40 63.30 2yth h SER 26 CO 0.01 -0.28 0.57 0.45 -0.53 0.00 0.00 176.83 177.04 2yth h HIS 27 N -0.03 0.96 -0.07 2.24 3.86 -1.99 0.98 115.15 121.10 2yth h HIS 27 Ca 0.30 0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.50 2yth h HIS 27 Cb 0.56 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2yth h HIS 27 CO -0.87 0.01 -0.13 1.25 0.86 0.00 0.00 177.93 179.05 2yth h LEU 28 N 0.51 0.23 -0.67 2.43 5.85 0.56 -2.15 115.31 122.07 2yth h LEU 28 Ca 0.65 -0.56 0.09 0.00 0.84 0.00 0.00 57.88 58.90 2yth h LEU 28 Cb 1.29 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 2yth h LEU 28 CO -0.51 0.75 0.32 0.45 -0.34 0.00 0.00 178.44 179.11 2yth h HIS 29 N -0.28 0.58 0.00 1.25 3.86 0.87 0.32 115.15 121.75 2yth h HIS 29 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2yth h HIS 29 Cb 0.71 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.02 2yth h HIS 29 CO 0.11 0.21 0.00 0.43 0.86 0.00 0.00 177.93 179.54 2yth n SER 30 N -4.89 0.00 -0.04 2.45 7.64 0.15 -3.37 113.62 115.56 2yth n SER 30 Ca 0.10 0.50 -0.22 0.00 1.01 0.00 0.00 58.87 60.26 2yth n SER 30 Cb 0.26 -0.50 -0.13 0.00 -1.01 0.00 0.00 64.21 62.83 2yth n SER 30 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2yth n HIS 31 N -1.50 1.01 -0.16 1.43 -0.00 0.60 -4.29 115.22 112.30 2yth n HIS 31 Ca 0.06 0.26 -0.02 0.00 -0.00 0.00 0.00 57.72 58.02 2yth n HIS 31 Cb 0.28 -1.12 0.06 0.00 -0.00 0.00 0.00 29.99 29.21 2yth n HIS 31 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 2yth h GLN 32 N -0.23 0.10 -0.44 1.57 4.20 -0.53 0.26 115.11 120.03 2yth h GLN 32 Ca -0.44 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.39 2yth h GLN 32 Cb 1.84 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.58 2yth h GLN 32 CO -0.02 0.07 0.47 0.07 -0.67 0.00 0.00 178.83 178.75 2yth h ARG 33 N 0.11 0.00 -0.96 1.46 -0.00 -1.75 -0.40 114.38 112.83 2yth h ARG 33 Ca 0.26 0.00 0.15 0.00 -0.00 0.00 0.00 59.98 60.39 2yth h ARG 33 Cb 0.39 0.00 -0.09 0.00 -0.00 0.00 0.00 29.97 30.27 2yth h ARG 33 CO -0.44 0.00 0.57 0.28 -0.00 0.00 0.00 179.97 180.38 2yth h VAL 34 N 0.00 0.79 -0.28 0.08 2.07 -0.67 0.36 116.25 118.61 2yth h VAL 34 Ca 0.21 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 2yth h VAL 34 Cb 1.16 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2yth h VAL 34 CO -0.00 0.15 0.06 1.41 0.02 0.00 0.00 177.57 179.20 2yth n HIS 35 N -4.74 0.97 0.27 1.57 8.25 -0.16 -3.46 115.22 117.91 2yth n HIS 35 Ca 0.20 -0.46 0.09 0.00 -0.26 0.00 0.00 57.72 57.29 2yth n HIS 35 Cb 0.45 -0.33 0.47 0.00 1.12 0.00 0.00 29.99 31.70 2yth n HIS 35 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2yth h THR 36 N 1.43 0.00 0.00 1.59 1.03 -0.37 -3.43 112.91 113.16 2yth h THR 36 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.45 2yth h THR 36 Cb 1.26 0.38 0.00 0.00 -1.07 0.00 0.00 68.15 68.73 2yth h THR 36 CO 0.26 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.38 2yth n GLY 37 N -1.29 2.25 2.96 2.99 0.00 -1.26 -5.04 105.19 105.80 2yth n GLY 37 Ca -0.01 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 3.76 -3.94 1.61 -0.58 -1.26 -4.72 120.64 115.51 2yth n GLU 38 Ca 0.00 -3.78 -0.27 0.00 -0.42 0.00 0.00 57.16 52.69 2yth n GLU 38 Cb 0.00 -2.85 -0.06 0.00 -0.57 0.00 0.00 31.44 27.96 2yth n GLU 38 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2yth n LYS 39 N 3.52 -0.83 -2.26 3.49 4.81 -1.26 -4.83 118.16 120.79 2yth n LYS 39 Ca 0.36 0.04 -0.39 0.00 -0.87 0.00 0.00 58.31 57.45 2yth n LYS 39 Cb 0.36 -2.58 -0.02 0.00 0.02 0.00 0.00 35.03 32.82 2yth n LYS 39 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2yth s PRO 40 N -6.55 4.17 -0.14 1.64 0.04 -1.22 -5.00 135.00 127.94 2yth s PRO 40 Ca 0.08 1.94 -0.11 0.00 0.04 0.00 0.00 61.00 62.94 2yth s PRO 40 Cb -0.04 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 2yth s PRO 40 CO 0.78 -0.25 -0.22 -1.13 0.04 0.00 0.00 177.00 176.22 2yth n SER 41 N 0.35 1.67 0.00 6.66 3.41 -1.26 -4.79 113.62 119.65 2yth n SER 41 Ca 0.03 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2yth n SER 41 Cb 0.45 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 2yth n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yth n GLY 42 N 1.56 1.32 3.55 5.00 0.00 -1.26 -5.02 105.19 110.35 2yth n GLY 42 Ca -0.09 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.00 2.59 -1.77 1.61 0.04 -1.26 -3.88 135.00 130.33 2yth s PRO 43 Ca 0.00 0.20 -0.16 0.00 0.04 0.00 0.00 61.00 61.08 2yth s PRO 43 Cb 0.00 -4.70 0.16 0.00 0.04 0.00 0.00 34.50 30.00 2yth s PRO 43 CO 0.00 -3.03 0.43 -1.13 0.04 0.00 0.00 177.00 173.30 2yth n SER 44 N 13.33 -1.05 -4.31 6.66 3.41 -1.26 -4.91 113.62 125.49 2yth n SER 44 Ca 0.29 -1.24 -0.27 0.00 -0.26 0.00 0.00 58.87 57.40 2yth n SER 44 Cb 0.50 -1.70 -0.14 0.00 -0.26 0.00 0.00 64.21 62.61 2yth n SER 44 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yth s SER 45 N -3.62 2.85 0.00 4.04 0.01 -1.25 -5.28 113.70 110.44 2yth s SER 45 Ca 0.56 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2yth s SER 45 Cb -0.33 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.69 2yth s SER 45 CO 1.01 0.16 0.06 0.61 0.41 0.00 0.00 173.24 175.49