#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yth n SER 2 N 0.00 -1.84 -4.46 1.61 2.88 -1.26 -4.79 113.62 105.77 2yth n SER 2 Ca 0.00 0.16 -0.52 0.00 -1.33 0.00 0.00 58.87 57.19 2yth n SER 2 Cb 0.00 -1.17 -0.05 0.00 -0.75 0.00 0.00 64.21 62.24 2yth n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yth n SER 3 N -2.13 -0.49 0.00 -3.46 7.64 -1.26 -4.93 113.62 108.99 2yth n SER 3 Ca 0.05 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.08 2yth n SER 3 Cb 0.56 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 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 1.80 -0.36 3.52 0.23 0.00 -1.26 -4.86 105.19 104.26 2yth n GLY 4 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.13 6.47 0.07 1.61 0.01 -1.26 -4.98 113.70 111.48 2yth s SER 5 Ca 0.00 -1.47 -0.31 0.00 1.31 0.00 0.00 55.95 55.49 2yth s SER 5 Cb 0.00 -2.50 -0.08 0.00 0.21 0.00 0.00 66.02 63.64 2yth s SER 5 CO 0.00 -1.41 1.70 -0.55 0.41 0.00 0.00 173.24 173.39 2yth s SER 6 N 4.31 6.57 -0.55 2.44 0.15 -1.26 -4.90 113.70 120.45 2yth s SER 6 Ca 0.38 2.52 0.01 0.00 0.70 0.00 0.00 55.95 59.57 2yth s SER 6 Cb -0.04 -2.56 0.47 0.00 -1.71 0.00 0.00 66.02 62.18 2yth s SER 6 CO -0.05 -0.92 1.81 0.61 1.20 0.00 0.00 173.24 175.89 2yth n GLY 7 N 4.08 5.89 2.97 9.45 0.00 -1.26 -4.80 105.19 121.52 2yth n GLY 7 Ca 0.16 -2.29 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.25 4.42 0.00 1.61 0.01 -1.26 -5.07 113.70 111.15 2yth s SER 8 Ca 0.60 -2.92 0.00 0.00 1.31 0.00 0.00 55.95 54.94 2yth s SER 8 Cb 0.48 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 65.06 2yth s SER 8 CO 0.01 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.01 2yth n GLY 9 N 3.24 6.76 0.19 3.44 0.00 -1.26 -5.10 105.19 112.46 2yth n GLY 9 Ca 0.05 -1.91 -0.17 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 0.51 -1.72 1.61 2.13 -1.26 -4.98 120.64 116.93 2yth n GLU 10 Ca 0.00 0.21 -0.42 0.00 0.66 0.00 0.00 57.16 57.62 2yth n GLU 10 Cb 0.00 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.34 2yth n GLU 10 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2yth n LYS 11 N -4.26 2.18 0.00 5.31 4.76 -1.26 -4.91 118.16 119.98 2yth n LYS 11 Ca -0.31 0.77 -0.07 0.00 -2.87 0.00 0.00 58.31 55.83 2yth n LYS 11 Cb 0.66 -2.43 0.11 0.00 -1.84 0.00 0.00 35.03 31.52 2yth n LYS 11 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2yth h PRO 12 N 2.46 0.53 -5.87 1.97 0.13 -1.92 -3.40 132.00 125.89 2yth h PRO 12 Ca -0.48 -0.28 -0.59 0.00 -0.87 0.00 0.00 66.00 63.78 2yth h PRO 12 Cb 1.28 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.30 2yth h PRO 12 CO 0.62 0.86 0.80 -0.06 -0.23 0.00 0.00 178.00 179.99 2yth s PHE 13 N -4.19 2.50 -0.03 1.56 0.08 -1.26 -5.00 117.98 111.63 2yth s PHE 13 Ca -0.07 -0.34 0.06 0.00 0.12 0.00 0.00 56.93 56.70 2yth s PHE 13 Cb 0.12 -4.46 -0.01 0.00 -0.57 0.00 0.00 43.02 38.10 2yth s PHE 13 CO 0.82 -1.85 -0.21 -0.65 -0.10 0.00 0.00 175.22 173.23 2yth s GLN 14 N 4.83 1.92 1.44 0.44 -0.21 -1.26 -2.80 119.66 124.02 2yth s GLN 14 Ca 0.29 -0.76 -0.23 0.00 0.02 0.00 0.00 55.36 54.67 2yth s GLN 14 Cb -0.12 -1.76 0.37 0.00 1.00 0.00 0.00 33.01 32.50 2yth s GLN 14 CO 0.12 0.40 0.86 0.00 -2.12 0.00 0.00 175.29 174.55 2yth n GLU 16 N -5.56 2.18 -0.00 0.00 4.07 -1.26 -3.37 120.64 116.70 2yth n GLU 16 Ca 0.12 -0.02 0.06 0.00 -0.06 0.00 0.00 57.16 57.27 2yth n GLU 16 Cb 0.59 -1.10 -0.13 0.00 -0.06 0.00 0.00 31.44 30.74 2yth n GLU 16 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2yth n GLU 17 N -1.96 0.65 0.00 5.31 4.07 -1.26 -4.49 120.64 122.96 2yth n GLU 17 Ca -0.04 -0.06 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 2yth n GLU 17 Cb 0.44 -1.60 0.00 0.00 -0.06 0.00 0.00 31.44 30.21 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 0.01 -0.36 2.33 0.00 0.00 -1.22 -4.84 105.19 101.11 2yth n GLY 19 Ca 0.00 0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.14 -2.87 -4.68 1.61 4.76 -1.26 -4.46 118.16 107.12 2yth n LYS 20 Ca 0.06 -1.14 -0.23 0.00 -2.87 0.00 0.00 58.31 54.13 2yth n LYS 20 Cb 0.48 -1.16 -0.15 0.00 -1.84 0.00 0.00 35.03 32.36 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 -4.62 1.22 0.04 1.97 0.52 -1.26 -3.01 118.95 113.81 2yth s ARG 21 Ca 0.48 -0.52 -0.15 0.00 -0.52 0.00 0.00 55.73 55.02 2yth s ARG 21 Cb -0.06 -1.17 0.02 0.00 0.52 0.00 0.00 34.95 34.27 2yth s ARG 21 CO 0.37 0.30 0.33 -0.06 0.02 0.00 0.00 175.30 176.27 2yth s PHE 22 N -0.29 -0.15 -0.06 -0.53 0.08 -1.12 -5.05 117.98 110.86 2yth s PHE 22 Ca 0.05 0.04 -0.12 0.00 0.12 0.00 0.00 56.93 57.01 2yth s PHE 22 Cb -0.06 0.13 -0.08 0.00 -0.57 0.00 0.00 43.02 42.44 2yth s PHE 22 CO -0.00 -0.52 0.48 1.79 -0.10 0.00 0.00 175.22 176.87 2yth h THR 23 N 3.17 0.24 -1.69 0.64 1.35 -2.00 -3.39 112.91 111.23 2yth h THR 23 Ca -0.32 -0.90 -0.43 0.00 -0.55 0.00 0.00 66.41 64.21 2yth h THR 23 Cb 1.20 0.42 0.02 0.00 -1.73 0.00 0.00 68.15 68.06 2yth h THR 23 CO 0.45 0.07 -0.26 -1.10 -0.25 0.00 0.00 175.52 174.43 2yth s GLN 24 N -2.73 2.90 -0.10 4.72 -0.21 -1.26 -4.85 119.66 118.13 2yth s GLN 24 Ca -0.07 -1.10 -0.28 0.00 0.02 0.00 0.00 55.36 53.93 2yth s GLN 24 Cb 0.00 -2.75 -0.25 0.00 1.00 0.00 0.00 33.01 31.02 2yth s GLN 24 CO 0.23 -0.21 0.90 -2.95 -2.12 0.00 0.00 175.29 171.14 2yth h ASN 25 N 0.66 0.04 -0.91 5.90 -1.07 -1.98 -3.32 115.58 114.90 2yth h ASN 25 Ca -0.42 -0.88 0.27 0.00 0.07 0.00 0.00 56.30 55.34 2yth h ASN 25 Cb 1.27 -0.01 -0.17 0.00 -2.07 0.00 0.00 38.32 37.34 2yth h ASN 25 CO 0.48 0.92 0.10 -0.24 0.07 0.00 0.00 177.43 178.76 2yth n SER 26 N -4.63 -0.04 -0.36 6.14 2.88 -1.26 0.22 113.62 116.58 2yth n SER 26 Ca -0.10 1.54 -0.03 0.00 -1.33 0.00 0.00 58.87 58.96 2yth n SER 26 Cb 0.45 -0.59 0.10 0.00 -0.75 0.00 0.00 64.21 63.42 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 1.22 0.30 0.66 3.86 -1.99 -1.76 115.15 117.44 2yth h HIS 27 Ca 0.59 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.80 2yth h HIS 27 Cb 1.29 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 29.35 2yth h HIS 27 CO -0.39 0.78 -0.15 1.25 0.86 0.00 0.00 177.93 180.28 2yth h LEU 28 N 1.31 -0.35 -0.91 2.43 5.85 0.25 0.19 115.31 124.08 2yth h LEU 28 Ca 0.35 0.01 0.16 0.00 0.84 0.00 0.00 57.88 59.24 2yth h LEU 28 Cb -0.13 0.09 -0.16 0.00 0.37 0.00 0.00 40.66 40.83 2yth h LEU 28 CO -0.07 -0.09 -0.32 0.45 -0.34 0.00 0.00 178.44 178.07 2yth h HIS 29 N -0.73 -0.82 -0.40 1.25 3.86 -1.05 0.35 115.15 117.62 2yth h HIS 29 Ca -0.04 0.09 -0.15 0.00 -1.16 0.00 0.00 60.37 59.11 2yth h HIS 29 Cb 0.31 0.50 -0.01 0.00 1.06 0.00 0.00 27.41 29.27 2yth h HIS 29 CO 0.04 -0.40 -0.36 0.77 0.86 0.00 0.00 177.93 178.85 2yth h SER 30 N -0.02 1.00 -0.17 2.45 0.02 -1.41 -2.80 113.55 112.61 2yth h SER 30 Ca 0.37 -0.44 0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2yth h SER 30 Cb 0.62 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2yth h SER 30 CO -0.93 1.24 0.30 -0.74 -1.14 0.00 0.00 176.83 175.56 2yth h HIS 31 N 0.77 0.00 0.00 3.45 -0.00 0.28 0.12 115.15 119.78 2yth h HIS 31 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 2yth h HIS 31 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 2yth h HIS 31 CO 0.06 0.00 0.00 1.04 -0.00 0.00 0.00 177.93 179.03 2yth n GLN 32 N -3.40 0.10 0.15 5.26 6.02 -0.34 -1.80 117.38 123.37 2yth n GLN 32 Ca 0.02 0.58 0.07 0.00 -0.01 0.00 0.00 57.00 57.66 2yth n GLN 32 Cb 0.41 -1.82 0.56 0.00 1.02 0.00 0.00 30.24 30.40 2yth n GLN 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2yth h ARG 33 N 0.00 0.21 0.00 -1.09 3.08 -0.95 -0.02 114.38 115.61 2yth h ARG 33 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2yth h ARG 33 Cb 0.02 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2yth h ARG 33 CO 0.00 0.14 0.00 1.33 -1.07 0.00 0.00 179.97 180.37 2yth n VAL 34 N -4.51 1.00 -1.02 2.04 0.24 -0.74 -1.13 118.33 114.21 2yth n VAL 34 Ca -0.00 0.54 0.08 0.00 -2.04 0.00 0.00 64.34 62.92 2yth n VAL 34 Cb 0.10 -1.51 0.24 0.00 -1.47 0.00 0.00 33.84 31.20 2yth n VAL 34 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2yth n HIS 35 N -2.21 0.80 -0.92 6.34 8.25 -0.03 -5.05 115.22 122.40 2yth n HIS 35 Ca -0.00 -0.92 -0.35 0.00 -0.26 0.00 0.00 57.72 56.19 2yth n HIS 35 Cb 0.11 -0.30 0.07 0.00 1.12 0.00 0.00 29.99 30.99 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 -0.68 0.00 0.00 1.59 -2.24 -0.28 -4.10 114.28 108.57 2yth n THR 36 Ca 0.21 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2yth n THR 36 Cb 0.86 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 2.84 2.25 3.56 3.38 0.00 -1.26 -5.03 105.19 110.93 2yth n GLY 37 Ca 0.01 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 2yth n GLY 37 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yth n GLU 38 N 0.00 1.41 -3.64 1.61 2.13 -1.26 -4.88 120.64 116.02 2yth n GLU 38 Ca 0.00 0.27 -0.27 0.00 0.66 0.00 0.00 57.16 57.81 2yth n GLU 38 Cb 0.00 -3.17 -0.10 0.00 0.27 0.00 0.00 31.44 28.44 2yth n GLU 38 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2yth n LYS 39 N 8.79 2.21 -2.06 5.31 3.00 -1.26 -5.06 118.16 129.09 2yth n LYS 39 Ca 0.36 -4.59 -0.41 0.00 -0.00 0.00 0.00 58.31 53.67 2yth n LYS 39 Cb 0.45 -2.27 -0.03 0.00 0.00 0.00 0.00 35.03 33.18 2yth n LYS 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2yth s PRO 40 N -2.02 3.07 0.00 1.64 0.04 -1.26 -4.84 135.00 131.63 2yth s PRO 40 Ca 0.33 1.01 0.17 0.00 0.04 0.00 0.00 61.00 62.55 2yth s PRO 40 Cb 0.06 -4.25 0.75 0.00 0.04 0.00 0.00 34.50 31.09 2yth s PRO 40 CO -0.08 -2.19 1.54 -1.13 0.04 0.00 0.00 177.00 175.18 2yth n SER 41 N 11.13 0.00 -4.54 6.66 3.41 -1.26 -4.78 113.62 124.24 2yth n SER 41 Ca 0.21 0.43 -0.25 0.00 -0.26 0.00 0.00 58.87 59.00 2yth n SER 41 Cb 0.49 -0.47 -0.11 0.00 -0.26 0.00 0.00 64.21 63.87 2yth n SER 41 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2yth s GLY 42 N -2.94 2.30 0.96 5.00 0.00 -1.26 -5.15 107.32 106.24 2yth s GLY 42 Ca 0.09 -2.18 -0.12 0.00 0.00 0.00 0.00 44.72 42.51 2yth s GLY 42 CO 0.30 -1.96 1.09 2.56 0.00 0.00 0.00 173.10 175.09 2yth s PRO 43 N -3.80 0.71 0.10 2.90 0.04 -1.26 -5.07 135.00 128.63 2yth s PRO 43 Ca 0.36 0.63 0.06 0.00 0.04 0.00 0.00 61.00 62.09 2yth s PRO 43 Cb 0.09 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 2yth s PRO 43 CO 0.17 -2.57 -0.07 -1.54 0.04 0.00 0.00 177.00 173.03 2yth s SER 44 N -3.44 4.60 -0.11 6.66 1.04 -1.26 -5.07 113.70 116.13 2yth s SER 44 Ca 0.65 -0.32 -0.06 0.00 0.48 0.00 0.00 55.95 56.69 2yth s SER 44 Cb -0.18 -0.95 -0.02 0.00 0.10 0.00 0.00 66.02 64.96 2yth s SER 44 CO 0.57 0.17 -0.11 0.28 0.98 0.00 0.00 173.24 175.13 2yth h SER 45 N 3.51 0.00 0.00 7.02 0.02 -2.08 -3.57 113.55 118.45 2yth h SER 45 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2yth h SER 45 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2yth h SER 45 CO 0.55 0.58 0.00 0.61 -1.14 0.00 0.00 176.83 177.43