#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 6.43 -0.11 1.61 0.01 -1.26 -4.87 113.70 115.51 2yth s SER 2 Ca 0.00 -3.51 -0.04 0.00 1.31 0.00 0.00 55.95 53.71 2yth s SER 2 Cb 0.00 -2.03 -0.02 0.00 0.21 0.00 0.00 66.02 64.18 2yth s SER 2 CO 0.00 -0.27 -0.03 0.77 0.41 0.00 0.00 173.24 174.12 2yth h SER 3 N 6.48 0.00 -4.34 2.44 4.64 -2.09 -3.51 113.55 117.17 2yth h SER 3 Ca 0.14 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2yth h SER 3 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2yth h SER 3 CO 0.88 0.60 0.00 0.61 -0.87 0.00 0.00 176.83 178.05 2yth n GLY 4 N 1.72 -0.93 3.56 -0.77 0.00 -1.26 -4.70 105.19 102.81 2yth n GLY 4 Ca -0.03 -1.62 -0.21 0.00 0.00 0.00 0.00 46.02 44.16 2yth n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yth s SER 5 N -2.84 4.55 0.04 1.61 0.15 -1.26 -4.87 113.70 111.09 2yth s SER 5 Ca 0.00 -0.53 -0.07 0.00 0.70 0.00 0.00 55.95 56.05 2yth s SER 5 Cb 0.00 -2.56 -0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2yth s SER 5 CO 0.00 -3.34 0.15 -0.55 1.20 0.00 0.00 173.24 170.70 2yth s SER 6 N 8.95 0.10 -0.01 5.45 0.15 -1.26 -5.10 113.70 121.98 2yth s SER 6 Ca 0.79 -0.44 -0.02 0.00 0.70 0.00 0.00 55.95 56.97 2yth s SER 6 Cb -0.08 0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.48 2yth s SER 6 CO 0.05 -0.53 -0.04 0.61 1.20 0.00 0.00 173.24 174.53 2yth n GLY 7 N 0.74 -0.22 2.30 9.45 0.00 -1.26 -4.74 105.19 111.46 2yth n GLY 7 Ca -0.19 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 2yth n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yth n SER 8 N -2.86 6.48 0.00 1.61 7.64 -1.26 -4.79 113.62 120.45 2yth n SER 8 Ca -0.02 -3.17 0.00 0.00 1.01 0.00 0.00 58.87 56.70 2yth n SER 8 Cb 0.07 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 2yth n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yth n GLY 9 N 0.70 -3.42 3.53 0.23 0.00 -1.26 -4.65 105.19 100.32 2yth n GLY 9 Ca 0.43 0.58 -0.29 0.00 0.00 0.00 0.00 46.02 46.74 2yth n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yth s GLU 10 N -0.97 -0.49 0.01 1.61 8.01 -1.26 -4.99 118.70 120.62 2yth s GLU 10 Ca 0.00 1.05 -0.06 0.00 0.01 0.00 0.00 54.97 55.97 2yth s GLU 10 Cb 0.00 -1.59 -0.00 0.00 -4.31 0.00 0.00 34.13 28.23 2yth s GLU 10 CO 0.00 -3.50 0.10 0.15 0.01 0.00 0.00 175.26 172.02 2yth s LYS 11 N -4.49 0.48 0.13 1.61 -0.14 -1.26 -5.00 119.74 111.08 2yth s LYS 11 Ca 0.68 -0.52 -0.12 0.00 -1.36 0.00 0.00 55.97 54.66 2yth s LYS 11 Cb -0.25 0.19 -0.05 0.00 -1.68 0.00 0.00 37.83 36.05 2yth s LYS 11 CO 0.63 -0.11 1.47 -1.00 -0.76 0.00 0.00 175.35 175.58 2yth h PRO 12 N 4.18 0.90 -5.36 -1.68 0.13 -1.92 -3.39 132.00 124.86 2yth h PRO 12 Ca -0.31 -0.47 -0.65 0.00 -0.87 0.00 0.00 66.00 63.70 2yth h PRO 12 Cb 1.19 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 2yth h PRO 12 CO 0.43 1.12 0.74 -0.06 -0.23 0.00 0.00 178.00 180.00 2yth s PHE 13 N -4.40 2.81 -0.01 1.56 0.08 -1.26 -5.00 117.98 111.76 2yth s PHE 13 Ca -0.11 -0.87 0.08 0.00 0.12 0.00 0.00 56.93 56.15 2yth s PHE 13 Cb 0.11 -4.33 -0.02 0.00 -0.57 0.00 0.00 43.02 38.21 2yth s PHE 13 CO 0.87 -1.62 -0.26 -0.65 -0.10 0.00 0.00 175.22 173.46 2yth s GLN 14 N 3.67 2.08 1.35 0.44 -0.21 -1.26 -2.48 119.66 123.25 2yth s GLN 14 Ca 0.28 -0.95 -0.19 0.00 0.02 0.00 0.00 55.36 54.52 2yth s GLN 14 Cb -0.11 -2.04 0.34 0.00 1.00 0.00 0.00 33.01 32.20 2yth s GLN 14 CO 0.01 0.56 0.90 0.00 -2.12 0.00 0.00 175.29 174.64 2yth n GLU 16 N -5.34 1.43 -0.00 0.00 0.00 -1.26 -3.16 120.64 112.31 2yth n GLU 16 Ca 0.08 -0.03 0.03 0.00 0.00 0.00 0.00 57.16 57.24 2yth n GLU 16 Cb 0.57 -1.14 -0.12 0.00 0.00 0.00 0.00 31.44 30.75 2yth n GLU 16 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2yth n GLU 17 N -1.92 0.65 0.00 5.31 4.07 -1.26 -4.49 120.64 123.00 2yth n GLU 17 Ca -0.05 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 2yth n GLU 17 Cb 0.38 -1.66 0.00 0.00 -0.06 0.00 0.00 31.44 30.10 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 0.21 -0.99 1.91 0.00 0.00 -1.19 -4.88 105.19 100.25 2yth n GLY 19 Ca 0.00 0.42 -0.12 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.31 0.15 -5.04 1.61 5.02 -1.26 -4.67 118.16 109.66 2yth n LYS 20 Ca -0.18 -1.30 -0.30 0.00 -2.02 0.00 0.00 58.31 54.51 2yth n LYS 20 Cb 0.61 -0.37 -0.17 0.00 -0.02 0.00 0.00 35.03 35.08 2yth n LYS 20 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2yth s ARG 21 N -3.80 2.67 0.05 1.97 0.52 -1.26 -3.46 118.95 115.64 2yth s ARG 21 Ca 0.33 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 54.81 2yth s ARG 21 Cb -0.02 -2.05 -0.03 0.00 0.52 0.00 0.00 34.95 33.38 2yth s ARG 21 CO 0.22 0.14 -0.06 -0.06 0.02 0.00 0.00 175.30 175.55 2yth s PHE 22 N 0.43 0.63 -0.08 -0.53 0.08 -1.04 -5.01 117.98 112.47 2yth s PHE 22 Ca -0.18 -0.63 -0.19 0.00 0.12 0.00 0.00 56.93 56.06 2yth s PHE 22 Cb -0.17 -0.39 -0.15 0.00 -0.57 0.00 0.00 43.02 41.74 2yth s PHE 22 CO 0.07 -0.14 0.69 1.79 -0.10 0.00 0.00 175.22 177.54 2yth h THR 23 N 4.13 0.91 -1.31 0.64 1.35 -1.98 -3.38 112.91 113.26 2yth h THR 23 Ca -0.35 -1.38 -0.54 0.00 -0.55 0.00 0.00 66.41 63.59 2yth h THR 23 Cb 1.19 1.61 -0.06 0.00 -1.73 0.00 0.00 68.15 69.17 2yth h THR 23 CO 0.47 0.27 -0.41 -1.10 -0.25 0.00 0.00 175.52 174.50 2yth s GLN 24 N -2.81 2.35 -0.04 4.72 -1.52 -1.26 -4.85 119.66 116.25 2yth s GLN 24 Ca -0.12 -1.78 -0.26 0.00 -1.95 0.00 0.00 55.36 51.26 2yth s GLN 24 Cb -0.00 -2.15 -0.21 0.00 -0.22 0.00 0.00 33.01 30.42 2yth s GLN 24 CO 0.44 -0.27 1.15 -2.95 -0.25 0.00 0.00 175.29 173.41 2yth h ASN 25 N 1.12 0.08 -0.91 5.90 -1.07 -1.96 -3.31 115.58 115.43 2yth h ASN 25 Ca -0.41 -0.62 0.14 0.00 0.07 0.00 0.00 56.30 55.47 2yth h ASN 25 Cb 1.27 -0.02 -0.14 0.00 -2.07 0.00 0.00 38.32 37.35 2yth h ASN 25 CO 0.62 0.69 -0.36 -0.24 0.07 0.00 0.00 177.43 178.21 2yth n SER 26 N -4.72 -0.61 -0.34 6.14 2.88 -1.26 0.17 113.62 115.88 2yth n SER 26 Ca -0.09 1.59 0.19 0.00 -1.33 0.00 0.00 58.87 59.24 2yth n SER 26 Cb 0.34 -0.36 0.41 0.00 -0.75 0.00 0.00 64.21 63.86 2yth n SER 26 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2yth h HIS 27 N 0.00 0.97 0.26 0.66 3.86 -2.00 -0.73 115.15 118.17 2yth h HIS 27 Ca 0.31 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.54 2yth h HIS 27 Cb 0.54 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.73 2yth h HIS 27 CO -0.81 0.02 -0.12 1.25 0.86 0.00 0.00 177.93 179.13 2yth h LEU 28 N 0.52 -0.29 -1.00 2.43 5.85 0.16 0.14 115.31 123.12 2yth h LEU 28 Ca 0.66 0.01 0.33 0.00 0.84 0.00 0.00 57.88 59.72 2yth h LEU 28 Cb 1.34 0.08 -0.18 0.00 0.37 0.00 0.00 40.66 42.26 2yth h LEU 28 CO -0.48 0.15 0.21 1.41 -0.34 0.00 0.00 178.44 179.39 2yth n HIS 29 N -4.94 0.83 -0.01 1.25 8.25 -0.03 -0.46 115.22 120.11 2yth n HIS 29 Ca -0.04 1.20 -0.18 0.00 -0.26 0.00 0.00 57.72 58.44 2yth n HIS 29 Cb 0.14 -1.37 -0.14 0.00 1.12 0.00 0.00 29.99 29.74 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 0.26 -0.94 0.41 0.87 -1.24 -3.33 113.55 109.58 2yth h SER 30 Ca 0.69 -0.95 0.25 0.00 -1.23 0.00 0.00 61.79 60.55 2yth h SER 30 Cb 1.61 -0.08 -0.13 0.00 -0.44 0.00 0.00 62.40 63.36 2yth h SER 30 CO -0.88 1.25 0.46 -0.74 -0.53 0.00 0.00 176.83 176.39 2yth h HIS 31 N -0.65 0.76 -1.28 2.24 -0.00 0.20 0.37 115.15 116.79 2yth h HIS 31 Ca -0.10 0.04 0.37 0.00 -0.00 0.00 0.00 60.37 60.68 2yth h HIS 31 Cb 1.38 -0.19 -0.08 0.00 -0.00 0.00 0.00 27.41 28.52 2yth h HIS 31 CO 0.22 -0.06 0.88 1.96 -0.00 0.00 0.00 177.93 180.94 2yth h GLN 32 N 0.41 0.11 -1.31 5.26 4.20 -0.87 0.13 115.11 123.04 2yth h GLN 32 Ca 0.61 -0.01 0.41 0.00 0.06 0.00 0.00 58.65 59.73 2yth h GLN 32 Cb 1.21 -0.02 -0.12 0.00 0.30 0.00 0.00 27.48 28.85 2yth h GLN 32 CO -0.54 0.07 0.85 0.00 -0.67 0.00 0.00 178.83 178.54 2yth h ARG 33 N 0.11 0.12 -0.88 1.46 3.08 -0.45 0.65 114.38 118.47 2yth h ARG 33 Ca 0.66 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.84 2yth h ARG 33 Cb 2.33 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 32.27 2yth h ARG 33 CO -0.15 0.08 0.49 -0.39 -1.07 0.00 0.00 179.97 178.93 2yth h VAL 34 N 0.12 0.81 -0.38 2.04 -1.51 -0.93 0.24 116.25 116.65 2yth h VAL 34 Ca 0.78 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 66.00 2yth h VAL 34 Cb 2.47 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 2yth h VAL 34 CO -0.37 0.14 0.00 1.41 -1.23 0.00 0.00 177.57 177.52 2yth n HIS 35 N -4.78 1.33 0.29 5.19 8.25 0.23 -4.33 115.22 121.39 2yth n HIS 35 Ca 0.17 -0.47 0.16 0.00 -0.26 0.00 0.00 57.72 57.32 2yth n HIS 35 Cb 0.38 -0.35 0.92 0.00 1.12 0.00 0.00 29.99 32.05 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 2.62 0.50 0.00 1.59 1.03 -0.34 -3.45 112.91 114.86 2yth h THR 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2yth h THR 36 Cb 1.43 0.98 0.00 0.00 -1.07 0.00 0.00 68.15 69.49 2yth h THR 36 CO 0.31 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.43 2yth n GLY 37 N -1.33 0.70 3.50 2.99 0.00 -1.26 -5.11 105.19 104.68 2yth n GLY 37 Ca -0.02 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 2yth n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yth s GLU 38 N -0.40 1.99 -0.23 1.61 -6.30 -1.26 -5.13 118.70 108.98 2yth s GLU 38 Ca 0.00 -1.06 -0.27 0.00 -2.50 0.00 0.00 54.97 51.14 2yth s GLU 38 Cb 0.00 -2.20 0.13 0.00 0.00 0.00 0.00 34.13 32.06 2yth s GLU 38 CO 0.00 0.51 1.07 -1.59 0.02 0.00 0.00 175.26 175.28 2yth s LYS 39 N -1.90 0.48 0.11 4.30 -2.85 -1.26 -5.15 119.74 113.47 2yth s LYS 39 Ca 0.18 0.33 -0.31 0.00 -1.00 0.00 0.00 55.97 55.16 2yth s LYS 39 Cb -0.11 0.23 -0.08 0.00 -2.06 0.00 0.00 37.83 35.81 2yth s LYS 39 CO 0.09 -0.11 1.36 -1.25 0.10 0.00 0.00 175.35 175.55 2yth s PRO 40 N -0.42 4.34 0.00 1.78 0.04 -1.26 -4.89 135.00 134.59 2yth s PRO 40 Ca 0.02 2.03 0.20 0.00 0.04 0.00 0.00 61.00 63.29 2yth s PRO 40 Cb -0.03 -3.26 1.12 0.00 0.04 0.00 0.00 34.50 32.38 2yth s PRO 40 CO -0.04 -0.41 1.58 -1.13 0.04 0.00 0.00 177.00 177.05 2yth n SER 41 N 3.93 0.00 -0.54 6.66 3.41 -1.26 -4.98 113.62 120.85 2yth n SER 41 Ca 0.11 -0.43 0.02 0.00 -0.26 0.00 0.00 58.87 58.31 2yth n SER 41 Cb 0.43 -0.09 -0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.28 -0.54 0.10 5.00 0.00 -1.26 -4.25 105.19 104.52 2yth n GLY 42 Ca 0.13 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 2yth n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yth h PRO 43 N 0.00 0.20 -3.47 1.61 0.13 -2.04 -3.48 132.00 124.95 2yth h PRO 43 Ca 0.00 -0.10 -0.09 0.00 -0.87 0.00 0.00 66.00 64.94 2yth h PRO 43 Cb 0.13 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.21 2yth h PRO 43 CO 0.00 0.63 0.04 -1.54 -0.23 0.00 0.00 178.00 176.90 2yth s SER 44 N -5.93 0.21 -1.41 1.44 1.04 -1.26 -4.95 113.70 102.83 2yth s SER 44 Ca -0.15 -1.12 -0.08 0.00 0.48 0.00 0.00 55.95 55.08 2yth s SER 44 Cb 0.04 0.72 0.04 0.00 0.10 0.00 0.00 66.02 66.92 2yth s SER 44 CO 0.72 -1.41 0.96 -0.24 0.98 0.00 0.00 173.24 174.25 2yth n SER 45 N -1.05 -3.99 0.00 7.02 2.88 -1.26 -5.11 113.62 112.11 2yth n SER 45 Ca -0.04 -0.73 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 2yth n SER 45 Cb 0.61 -4.27 0.00 0.00 -0.75 0.00 0.00 64.21 59.80 2yth n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42