#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 4.02 -0.58 1.61 0.01 -1.26 -5.04 113.70 112.46 2yth s SER 2 Ca 0.00 -0.71 0.01 0.00 1.31 0.00 0.00 55.95 56.55 2yth s SER 2 Cb 0.00 -0.58 0.44 0.00 0.21 0.00 0.00 66.02 66.09 2yth s SER 2 CO 0.00 0.08 1.75 -1.20 0.41 0.00 0.00 173.24 174.28 2yth n SER 3 N -0.14 6.74 0.00 2.44 7.64 -1.26 -4.99 113.62 124.06 2yth n SER 3 Ca -0.10 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.00 2yth n SER 3 Cb 0.57 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 2yth n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yth n GLY 4 N -0.77 4.42 2.97 0.23 0.00 -1.26 -5.04 105.19 105.74 2yth n GLY 4 Ca 0.55 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 2yth n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yth s SER 5 N 0.00 4.95 -0.06 1.61 0.01 -1.26 -5.07 113.70 113.87 2yth s SER 5 Ca 0.00 -3.49 0.02 0.00 1.31 0.00 0.00 55.95 53.79 2yth s SER 5 Cb 0.00 -1.71 -0.03 0.00 0.21 0.00 0.00 66.02 64.49 2yth s SER 5 CO 0.00 -0.18 -0.10 -0.55 0.41 0.00 0.00 173.24 172.83 2yth s SER 6 N -0.65 4.40 0.00 2.44 0.15 -1.26 -5.03 113.70 113.75 2yth s SER 6 Ca 0.22 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2yth s SER 6 Cb -0.13 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 2yth s SER 6 CO -0.10 0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.31 2yth n GLY 7 N 2.27 -0.18 2.94 9.45 0.00 -1.26 -5.10 105.19 113.30 2yth n GLY 7 Ca -0.18 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 2yth n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yth s SER 8 N -4.00 0.50 0.00 1.61 0.01 -1.26 -5.01 113.70 105.55 2yth s SER 8 Ca 0.00 0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.74 2yth s SER 8 Cb 0.00 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.74 2yth s SER 8 CO 0.00 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2yth n GLY 9 N 5.30 -0.07 3.08 3.44 0.00 -1.26 -5.13 105.19 110.56 2yth n GLY 9 Ca -0.06 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 2yth n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yth n GLU 10 N -2.01 -1.45 -4.75 1.61 1.02 -1.26 -5.01 120.64 108.79 2yth n GLU 10 Ca 0.00 -0.42 -0.27 0.00 -0.02 0.00 0.00 57.16 56.45 2yth n GLU 10 Cb 0.00 -1.43 -0.14 0.00 -0.02 0.00 0.00 31.44 29.85 2yth n GLU 10 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2yth s LYS 11 N -3.07 1.51 0.03 3.49 1.02 -1.26 -5.05 119.74 116.40 2yth s LYS 11 Ca 0.41 -0.94 -0.21 0.00 0.02 0.00 0.00 55.97 55.24 2yth s LYS 11 Cb -0.04 -1.61 -0.15 0.00 -0.52 0.00 0.00 37.83 35.51 2yth s LYS 11 CO 0.49 0.42 1.34 -1.00 -0.92 0.00 0.00 175.35 175.67 2yth h PRO 12 N 4.96 0.31 -5.99 -1.68 0.13 -1.95 -3.42 132.00 124.35 2yth h PRO 12 Ca -0.43 -0.16 -0.59 0.00 -0.87 0.00 0.00 66.00 63.96 2yth h PRO 12 Cb 1.15 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.21 2yth h PRO 12 CO 0.44 0.70 0.64 -0.06 -0.23 0.00 0.00 178.00 179.49 2yth s PHE 13 N -4.31 3.26 -0.02 1.56 0.08 -1.26 -5.02 117.98 112.26 2yth s PHE 13 Ca -0.14 1.18 -0.03 0.00 0.12 0.00 0.00 56.93 58.06 2yth s PHE 13 Cb 0.05 -3.30 0.00 0.00 -0.57 0.00 0.00 43.02 39.20 2yth s PHE 13 CO 0.74 -0.54 0.08 -0.65 -0.10 0.00 0.00 175.22 174.75 2yth s GLN 14 N 3.16 0.15 1.26 0.44 -0.21 -1.26 -2.54 119.66 120.66 2yth s GLN 14 Ca 0.39 0.01 -0.19 0.00 0.02 0.00 0.00 55.36 55.59 2yth s GLN 14 Cb -0.14 0.07 0.30 0.00 1.00 0.00 0.00 33.01 34.23 2yth s GLN 14 CO 0.10 -0.02 0.68 0.00 -2.12 0.00 0.00 175.29 173.92 2yth n GLU 16 N -3.99 2.92 -0.02 0.00 0.00 -1.26 -3.56 120.64 114.73 2yth n GLU 16 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.23 2yth n GLU 16 Cb 0.47 -1.08 -0.13 0.00 0.00 0.00 0.00 31.44 30.70 2yth n GLU 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2yth n GLU 17 N -2.20 0.64 0.00 5.31 4.71 -1.26 -4.41 120.64 123.43 2yth n GLU 17 Ca -0.06 0.15 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 2yth n GLU 17 Cb 0.60 -1.71 0.00 0.00 -1.01 0.00 0.00 31.44 29.33 2yth n GLU 17 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2yth n GLY 19 N -0.08 -0.67 1.97 0.00 0.00 -1.23 -4.84 105.19 100.35 2yth n GLY 19 Ca 0.00 0.28 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.58 -0.50 -4.77 1.61 4.76 -1.26 -4.58 118.16 109.83 2yth n LYS 20 Ca -0.11 -1.11 -0.26 0.00 -2.87 0.00 0.00 58.31 53.96 2yth n LYS 20 Cb 0.42 -0.63 -0.16 0.00 -1.84 0.00 0.00 35.03 32.82 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 -4.36 1.79 -0.13 1.97 0.52 -1.26 -3.20 118.95 114.29 2yth s ARG 21 Ca 0.38 -0.56 -0.11 0.00 -0.52 0.00 0.00 55.73 54.91 2yth s ARG 21 Cb -0.01 -1.52 0.03 0.00 0.52 0.00 0.00 34.95 33.97 2yth s ARG 21 CO 0.26 0.18 0.34 -0.06 0.02 0.00 0.00 175.30 176.04 2yth s PHE 22 N 0.21 -0.37 0.12 -0.53 0.40 -1.05 -5.04 117.98 111.72 2yth s PHE 22 Ca -0.07 0.91 -0.05 0.00 -0.60 0.00 0.00 56.93 57.11 2yth s PHE 22 Cb -0.13 0.13 -0.11 0.00 0.51 0.00 0.00 43.02 43.43 2yth s PHE 22 CO 0.03 -0.18 1.30 0.00 0.70 0.00 0.00 175.22 177.06 2yth h THR 23 N 4.67 1.39 -3.36 0.64 1.03 -2.00 -3.37 112.91 111.91 2yth h THR 23 Ca -0.27 -2.42 -0.65 0.00 -0.01 0.00 0.00 66.41 63.06 2yth h THR 23 Cb 1.19 2.41 -0.21 0.00 -1.07 0.00 0.00 68.15 70.47 2yth h THR 23 CO 0.30 0.73 -0.67 -1.58 -0.01 0.00 0.00 175.52 174.28 2yth s GLN 24 N -3.28 3.47 0.37 0.00 2.00 -1.26 -4.94 119.66 116.02 2yth s GLN 24 Ca -0.06 -0.52 0.10 0.00 -2.00 0.00 0.00 55.36 52.88 2yth s GLN 24 Cb 0.09 -2.84 0.87 0.00 0.80 0.00 0.00 33.01 31.92 2yth s GLN 24 CO 0.87 0.34 1.87 -0.97 -0.50 0.00 0.00 175.29 176.90 2yth h ASN 25 N 6.36 0.60 -0.18 6.67 -1.24 -1.97 -1.74 115.58 124.08 2yth h ASN 25 Ca -0.35 0.04 0.05 0.00 0.71 0.00 0.00 56.30 56.75 2yth h ASN 25 Cb 1.19 -0.08 -0.05 0.00 0.73 0.00 0.00 38.32 40.11 2yth h ASN 25 CO 0.60 0.30 -0.12 -1.28 -1.29 0.00 0.00 177.43 175.64 2yth h SER 26 N 0.63 -0.38 -0.84 1.15 0.87 -1.98 -2.09 113.55 110.91 2yth h SER 26 Ca 0.45 0.08 0.19 0.00 -1.23 0.00 0.00 61.79 61.28 2yth h SER 26 Cb 0.79 0.20 -0.15 0.00 -0.44 0.00 0.00 62.40 62.79 2yth h SER 26 CO -0.20 -0.16 -0.09 -0.74 -0.53 0.00 0.00 176.83 175.11 2yth h HIS 27 N -0.12 -0.24 0.67 2.24 -0.00 -1.74 -1.75 115.15 114.22 2yth h HIS 27 Ca 0.10 0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.51 2yth h HIS 27 Cb 0.27 0.24 0.01 0.00 -0.00 0.00 0.00 27.41 27.93 2yth h HIS 27 CO -0.26 -0.33 -0.32 1.25 -0.00 0.00 0.00 177.93 178.26 2yth h LEU 28 N 0.04 -0.76 -0.76 0.26 5.85 -1.44 0.18 115.31 118.67 2yth h LEU 28 Ca 0.44 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.30 2yth h LEU 28 Cb 0.76 0.20 -0.12 0.00 0.37 0.00 0.00 40.66 41.88 2yth h LEU 28 CO -0.81 -0.51 -0.32 1.41 -0.34 0.00 0.00 178.44 177.88 2yth n HIS 29 N -4.64 -0.03 -0.10 1.25 8.25 -0.74 0.79 115.22 120.00 2yth n HIS 29 Ca -0.11 0.93 -0.12 0.00 -0.26 0.00 0.00 57.72 58.16 2yth n HIS 29 Cb 0.36 -0.75 -0.04 0.00 1.12 0.00 0.00 29.99 30.68 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 0.61 -0.75 0.41 0.87 -1.33 -2.93 113.55 110.43 2yth h SER 30 Ca 0.24 -0.41 0.19 0.00 -1.23 0.00 0.00 61.79 60.59 2yth h SER 30 Cb 0.43 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 2yth h SER 30 CO -0.75 0.88 0.52 -0.74 -0.53 0.00 0.00 176.83 176.22 2yth h HIS 31 N 0.34 0.21 -0.05 2.24 -0.00 0.35 0.18 115.15 118.42 2yth h HIS 31 Ca 0.06 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.45 2yth h HIS 31 Cb 0.65 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.99 2yth h HIS 31 CO 0.06 0.07 0.31 1.96 -0.00 0.00 0.00 177.93 180.33 2yth h GLN 32 N 0.17 0.00 0.00 5.26 4.20 -0.32 0.18 115.11 124.60 2yth h GLN 32 Ca 0.37 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.06 2yth h GLN 32 Cb 1.20 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.98 2yth h GLN 32 CO -0.06 0.00 -0.08 0.07 -0.67 0.00 0.00 178.83 178.09 2yth h ARG 33 N 0.00 0.00 0.00 1.46 0.11 -0.80 -1.40 114.38 113.75 2yth h ARG 33 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 2yth h ARG 33 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 2yth h ARG 33 CO -0.00 0.08 0.00 -0.39 0.10 0.00 0.00 179.97 179.76 2yth h VAL 34 N 0.00 0.00 -0.22 0.08 -1.51 -0.82 -0.25 116.25 113.53 2yth h VAL 34 Ca -0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 2yth h VAL 34 Cb 0.21 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.02 2yth h VAL 34 CO 0.01 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 177.76 2yth n HIS 35 N -2.31 0.58 -0.33 5.19 8.25 -0.53 -4.73 115.22 121.34 2yth n HIS 35 Ca -0.01 -0.76 0.23 0.00 -0.26 0.00 0.00 57.72 56.93 2yth n HIS 35 Cb 0.09 -0.19 0.44 0.00 1.12 0.00 0.00 29.99 31.46 2yth n HIS 35 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2yth h THR 36 N 1.42 0.05 0.00 1.59 1.35 -1.09 -3.42 112.91 112.81 2yth h THR 36 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2yth h THR 36 Cb 1.09 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 2yth h THR 36 CO 0.11 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 2yth n GLY 37 N -1.36 1.33 3.40 5.82 0.00 -1.26 -5.13 105.19 107.99 2yth n GLY 37 Ca 0.31 0.28 -0.25 0.00 0.00 0.00 0.00 46.02 46.35 2yth n GLY 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2yth s GLU 38 N -0.12 1.46 -0.12 1.61 1.03 -1.26 -5.14 118.70 116.16 2yth s GLU 38 Ca 0.00 -1.51 0.00 0.00 0.03 0.00 0.00 54.97 53.49 2yth s GLU 38 Cb 0.00 -1.70 -0.02 0.00 -0.80 0.00 0.00 34.13 31.61 2yth s GLU 38 CO 0.00 0.36 -0.13 0.21 -1.33 0.00 0.00 175.26 174.37 2yth s LYS 39 N -2.75 3.27 1.23 -4.83 2.20 -1.26 -5.12 119.74 112.48 2yth s LYS 39 Ca 0.20 -0.68 -0.20 0.00 -0.36 0.00 0.00 55.97 54.93 2yth s LYS 39 Cb -0.07 -2.61 0.30 0.00 -1.51 0.00 0.00 37.83 33.94 2yth s LYS 39 CO 0.09 0.28 1.11 -1.25 -0.36 0.00 0.00 175.35 175.22 2yth s PRO 40 N 0.19 -1.42 0.16 4.03 0.04 -1.26 -5.10 135.00 131.64 2yth s PRO 40 Ca -0.07 -0.13 -0.08 0.00 0.04 0.00 0.00 61.00 60.75 2yth s PRO 40 Cb -0.15 -1.58 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 2yth s PRO 40 CO 0.05 -3.83 0.26 0.45 0.04 0.00 0.00 177.00 173.97 2yth s SER 41 N -3.94 0.07 0.00 6.66 0.15 -1.26 -5.09 113.70 110.29 2yth s SER 41 Ca 0.72 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2yth s SER 41 Cb -0.09 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2yth s SER 41 CO 0.56 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.74 2yth n GLY 42 N -0.20 0.18 0.23 9.45 0.00 -1.26 -4.82 105.19 108.78 2yth n GLY 42 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 0.58 -0.09 1.61 0.13 -2.00 -3.23 132.00 129.00 2yth h PRO 43 Ca 0.00 -0.31 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 2yth h PRO 43 Cb 0.00 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 2yth h PRO 43 CO 0.00 0.90 0.01 1.03 -0.23 0.00 0.00 178.00 179.71 2yth h SER 44 N 0.48 0.15 -1.43 1.44 0.87 -2.01 -3.43 113.55 109.62 2yth h SER 44 Ca 0.04 -0.26 -0.75 0.00 -1.23 0.00 0.00 61.79 59.59 2yth h SER 44 Cb 0.93 -0.04 0.03 0.00 -0.44 0.00 0.00 62.40 62.89 2yth h SER 44 CO 0.08 0.37 0.58 -0.24 -0.53 0.00 0.00 176.83 177.10 2yth n SER 45 N -4.86 1.58 0.00 6.23 2.88 -1.22 -5.17 113.62 113.05 2yth n SER 45 Ca -0.06 1.12 0.07 0.00 -1.33 0.00 0.00 58.87 58.66 2yth n SER 45 Cb 0.17 -1.09 0.39 0.00 -0.75 0.00 0.00 64.21 62.93 2yth n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42