#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 -0.19 -0.34 1.61 0.15 -1.26 -5.06 113.70 108.62 2yth s SER 2 Ca 0.00 0.23 0.06 0.00 0.70 0.00 0.00 55.95 56.94 2yth s SER 2 Cb 0.00 0.19 0.45 0.00 -1.71 0.00 0.00 66.02 64.95 2yth s SER 2 CO 0.00 -0.15 1.21 -1.20 1.20 0.00 0.00 173.24 174.30 2yth n SER 3 N 0.81 5.01 -3.41 5.45 7.64 -1.26 -4.86 113.62 123.00 2yth n SER 3 Ca -0.06 -3.75 -0.36 0.00 1.01 0.00 0.00 58.87 55.71 2yth n SER 3 Cb 0.58 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 -0.67 5.98 0.09 0.23 0.00 -1.26 -4.76 105.19 104.80 2yth n GLY 4 Ca 0.44 -2.65 -0.10 0.00 0.00 0.00 0.00 46.02 43.71 2yth n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2yth h SER 5 N 3.80 -0.07 0.18 1.61 0.87 -2.02 -3.39 113.55 114.54 2yth h SER 5 Ca 0.41 -0.52 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 2yth h SER 5 Cb 0.38 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2yth h SER 5 CO 1.07 0.63 -0.09 -1.28 -0.53 0.00 0.00 176.83 176.63 2yth h SER 6 N -0.92 -0.21 0.00 6.23 0.87 -1.98 -3.47 113.55 114.07 2yth h SER 6 Ca -0.01 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2yth h SER 6 Cb 0.59 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2yth h SER 6 CO 0.01 0.34 0.00 0.61 -0.53 0.00 0.00 176.83 177.26 2yth n GLY 7 N 0.80 2.22 3.18 5.77 0.00 -1.26 -4.89 105.19 111.01 2yth n GLY 7 Ca -0.06 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 6.23 -3.50 -3.08 1.61 7.64 -1.26 -4.97 113.62 116.30 2yth n SER 8 Ca 0.00 -0.62 -0.04 0.00 1.01 0.00 0.00 58.87 59.22 2yth n SER 8 Cb 0.00 -0.95 0.04 0.00 -1.01 0.00 0.00 64.21 62.29 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 1.99 -2.47 0.36 0.23 0.00 -1.26 -5.00 105.19 99.04 2yth n GLY 9 Ca 0.09 -0.81 -0.15 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.61 0.35 -4.61 1.61 -0.58 -1.26 -5.02 120.64 109.52 2yth n GLU 10 Ca 0.02 0.13 -0.31 0.00 -0.42 0.00 0.00 57.16 56.57 2yth n GLU 10 Cb 0.08 -1.15 -0.12 0.00 -0.57 0.00 0.00 31.44 29.68 2yth n GLU 10 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2yth s LYS 11 N -2.30 2.29 0.09 3.49 1.02 -1.26 -5.04 119.74 118.03 2yth s LYS 11 Ca -0.22 -0.86 -0.16 0.00 0.02 0.00 0.00 55.97 54.76 2yth s LYS 11 Cb 0.07 -2.32 -0.10 0.00 -0.52 0.00 0.00 37.83 34.97 2yth s LYS 11 CO 0.30 0.57 1.41 -1.00 -0.92 0.00 0.00 175.35 175.71 2yth h PRO 12 N 4.61 0.63 -5.74 -1.68 0.13 -1.93 -3.41 132.00 124.61 2yth h PRO 12 Ca -0.48 -0.33 -0.63 0.00 -0.87 0.00 0.00 66.00 63.69 2yth h PRO 12 Cb 1.16 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 2yth h PRO 12 CO 0.50 0.94 0.33 -0.06 -0.23 0.00 0.00 178.00 179.48 2yth s PHE 13 N -4.35 3.03 0.00 1.56 0.08 -1.26 -5.03 117.98 112.01 2yth s PHE 13 Ca -0.13 0.24 0.01 0.00 0.12 0.00 0.00 56.93 57.17 2yth s PHE 13 Cb 0.08 -3.56 -0.01 0.00 -0.57 0.00 0.00 43.02 38.96 2yth s PHE 13 CO 0.81 -0.91 -0.04 -0.65 -0.10 0.00 0.00 175.22 174.34 2yth s GLN 14 N 3.19 0.29 1.36 0.44 -0.21 -1.26 -2.74 119.66 120.73 2yth s GLN 14 Ca 0.29 -0.23 -0.19 0.00 0.02 0.00 0.00 55.36 55.25 2yth s GLN 14 Cb -0.13 -0.22 0.35 0.00 1.00 0.00 0.00 33.01 34.02 2yth s GLN 14 CO 0.21 0.06 0.94 0.00 -2.12 0.00 0.00 175.29 174.38 2yth n GLU 16 N -5.51 2.03 0.02 0.00 2.13 -1.26 -3.32 120.64 114.73 2yth n GLU 16 Ca 0.09 -0.02 0.04 0.00 0.66 0.00 0.00 57.16 57.93 2yth n GLU 16 Cb 0.58 -1.10 -0.10 0.00 0.27 0.00 0.00 31.44 31.09 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 0.64 0.00 5.31 4.71 -1.26 -4.43 120.64 123.67 2yth n GLU 17 Ca -0.04 0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 2yth n GLU 17 Cb 0.41 -1.70 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 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 -0.04 -0.80 1.89 0.00 0.00 -1.21 -4.87 105.19 100.16 2yth n GLY 19 Ca 0.00 0.45 -0.09 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.79 0.82 -4.83 1.61 5.02 -1.26 -4.71 118.16 113.01 2yth n LYS 20 Ca -0.21 -1.51 -0.26 0.00 -2.02 0.00 0.00 58.31 54.31 2yth n LYS 20 Cb 0.48 -0.11 -0.16 0.00 -0.02 0.00 0.00 35.03 35.22 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 -3.27 1.74 -0.15 1.97 0.52 -1.26 -3.30 118.95 115.20 2yth s ARG 21 Ca 0.29 -0.61 -0.04 0.00 -0.52 0.00 0.00 55.73 54.85 2yth s ARG 21 Cb -0.02 -1.53 0.07 0.00 0.52 0.00 0.00 34.95 33.99 2yth s ARG 21 CO 0.18 0.26 0.17 -0.06 0.02 0.00 0.00 175.30 175.87 2yth s PHE 22 N -0.01 -0.14 0.33 -0.53 0.40 -1.11 -5.01 117.98 111.90 2yth s PHE 22 Ca -0.03 0.25 0.20 0.00 -0.60 0.00 0.00 56.93 56.76 2yth s PHE 22 Cb -0.11 -0.39 1.16 0.00 0.51 0.00 0.00 43.02 44.19 2yth s PHE 22 CO 0.02 -0.46 1.31 0.25 0.70 0.00 0.00 175.22 177.04 2yth n THR 23 N 5.31 -0.31 -4.47 0.64 -2.24 -1.26 -4.40 114.28 107.56 2yth n THR 23 Ca -0.05 1.63 -0.23 0.00 -2.27 0.00 0.00 64.05 63.13 2yth n THR 23 Cb 0.50 -2.66 -0.10 0.00 -2.10 0.00 0.00 70.33 65.96 2yth n THR 23 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2yth s GLN 24 N -5.18 1.64 -0.06 -0.78 -1.52 -1.26 -4.94 119.66 107.57 2yth s GLN 24 Ca -0.07 -1.86 -0.25 0.00 -1.95 0.00 0.00 55.36 51.24 2yth s GLN 24 Cb 0.28 -1.23 -0.24 0.00 -0.22 0.00 0.00 33.01 31.59 2yth s GLN 24 CO 0.66 0.01 1.00 -2.95 -0.25 0.00 0.00 175.29 173.76 2yth h ASN 25 N 2.17 0.22 -0.73 5.90 -1.07 -1.95 -3.32 115.58 116.80 2yth h ASN 25 Ca -0.41 -0.81 0.16 0.00 0.07 0.00 0.00 56.30 55.31 2yth h ASN 25 Cb 1.24 -0.07 -0.14 0.00 -2.07 0.00 0.00 38.32 37.28 2yth h ASN 25 CO 0.69 1.00 -0.14 -0.24 0.07 0.00 0.00 177.43 178.81 2yth n SER 26 N -4.49 -0.22 -0.21 6.14 2.88 -1.26 0.23 113.62 116.68 2yth n SER 26 Ca -0.10 1.25 -0.01 0.00 -1.33 0.00 0.00 58.87 58.68 2yth n SER 26 Cb 0.52 -0.39 0.10 0.00 -0.75 0.00 0.00 64.21 63.69 2yth n SER 26 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2yth h HIS 27 N 0.00 0.55 0.09 0.66 6.17 -1.95 -2.53 115.15 118.13 2yth h HIS 27 Ca 0.37 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.47 2yth h HIS 27 Cb 0.61 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.39 2yth h HIS 27 CO -0.52 0.21 -0.04 1.25 0.71 0.00 0.00 177.93 179.54 2yth h LEU 28 N 0.55 -0.10 -0.79 0.26 5.85 0.27 0.33 115.31 121.68 2yth h LEU 28 Ca 0.30 -0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.98 2yth h LEU 28 Cb 0.28 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.22 2yth h LEU 28 CO -0.24 0.07 -0.50 0.45 -0.34 0.00 0.00 178.44 177.88 2yth h HIS 29 N -0.27 -1.54 -0.07 1.25 3.86 -0.79 0.31 115.15 117.90 2yth h HIS 29 Ca -0.01 0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 2yth h HIS 29 Cb 0.23 0.78 0.00 0.00 1.06 0.00 0.00 27.41 29.48 2yth h HIS 29 CO -0.02 -0.41 -0.12 1.03 0.86 0.00 0.00 177.93 179.26 2yth h SER 30 N -0.13 0.23 -1.18 2.45 0.87 -1.46 -3.12 113.55 111.22 2yth h SER 30 Ca 0.19 -0.55 0.33 0.00 -1.23 0.00 0.00 61.79 60.53 2yth h SER 30 Cb 0.52 -0.07 -0.08 0.00 -0.44 0.00 0.00 62.40 62.34 2yth h SER 30 CO -0.83 0.74 0.81 -0.74 -0.53 0.00 0.00 176.83 176.28 2yth h HIS 31 N -0.27 0.31 -0.78 2.24 -0.00 0.58 0.48 115.15 117.72 2yth h HIS 31 Ca 0.00 0.01 0.14 0.00 -0.00 0.00 0.00 60.37 60.53 2yth h HIS 31 Cb 0.69 -0.09 -0.05 0.00 -0.00 0.00 0.00 27.41 27.96 2yth h HIS 31 CO 0.11 -0.00 0.52 1.96 -0.00 0.00 0.00 177.93 180.52 2yth h GLN 32 N 0.16 0.48 0.00 5.26 4.20 -0.35 0.32 115.11 125.18 2yth h GLN 32 Ca 0.62 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.30 2yth h GLN 32 Cb 2.08 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.75 2yth h GLN 32 CO -0.17 0.32 0.00 0.54 -0.67 0.00 0.00 178.83 178.85 2yth n ARG 33 N -4.50 0.09 0.10 1.46 1.74 0.17 -1.28 116.66 114.44 2yth n ARG 33 Ca 0.15 0.56 0.10 0.00 -0.77 0.00 0.00 57.85 57.89 2yth n ARG 33 Cb 0.50 -1.78 0.44 0.00 -1.02 0.00 0.00 32.46 30.60 2yth n ARG 33 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2yth n VAL 34 N -1.97 0.93 -0.26 1.55 3.14 0.11 -1.84 118.33 119.99 2yth n VAL 34 Ca -0.00 0.29 0.04 0.00 -2.96 0.00 0.00 64.34 61.71 2yth n VAL 34 Cb 0.04 -1.19 0.11 0.00 -1.06 0.00 0.00 33.84 31.75 2yth n VAL 34 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2yth n HIS 35 N -2.04 0.33 -1.28 1.45 8.25 -0.41 -5.05 115.22 116.47 2yth n HIS 35 Ca 0.02 -0.57 -0.50 0.00 -0.26 0.00 0.00 57.72 56.41 2yth n HIS 35 Cb 0.19 -0.07 -0.07 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.07 0.00 0.00 1.59 -2.24 -0.77 -4.27 114.28 108.53 2yth n THR 36 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2yth n THR 36 Cb 0.43 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 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 2.88 -1.28 3.69 3.38 0.00 -1.26 -5.12 105.19 107.48 2yth n GLY 37 Ca 0.22 0.50 -0.42 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 4.17 0.01 1.61 2.56 -1.26 -5.00 118.70 120.79 2yth s GLU 38 Ca 0.00 2.45 0.08 0.00 0.00 0.00 0.00 54.97 57.49 2yth s GLU 38 Cb 0.00 -3.55 -0.03 0.00 2.00 0.00 0.00 34.13 32.55 2yth s GLU 38 CO 0.00 -0.77 -0.23 -1.59 -0.56 0.00 0.00 175.26 172.11 2yth s LYS 39 N 2.53 2.06 0.46 4.30 0.00 -1.26 -5.12 119.74 122.71 2yth s LYS 39 Ca 0.76 -0.96 -0.23 0.00 0.00 0.00 0.00 55.97 55.54 2yth s LYS 39 Cb -0.43 -2.10 -0.07 0.00 0.00 0.00 0.00 37.83 35.23 2yth s LYS 39 CO 0.34 0.55 1.16 -1.25 0.00 0.00 0.00 175.35 176.15 2yth s PRO 40 N -0.98 3.75 -0.90 1.78 0.04 -1.26 -4.92 135.00 132.51 2yth s PRO 40 Ca 0.12 1.77 -0.24 0.00 0.04 0.00 0.00 61.00 62.68 2yth s PRO 40 Cb -0.10 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 2yth s PRO 40 CO 0.01 -0.56 1.87 0.45 0.04 0.00 0.00 177.00 178.81 2yth s SER 41 N -1.37 5.35 0.00 6.66 0.15 -1.26 -3.73 113.70 119.49 2yth s SER 41 Ca 0.64 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 56.56 2yth s SER 41 Cb -0.28 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 2yth s SER 41 CO 0.34 -2.55 0.00 0.61 1.20 0.00 0.00 173.24 172.85 2yth n GLY 42 N 6.78 0.71 3.77 9.45 0.00 -1.26 -5.11 105.19 119.53 2yth n GLY 42 Ca 0.38 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.06 3.24 0.25 1.61 0.04 -1.24 -5.06 135.00 132.78 2yth s PRO 43 Ca 0.00 1.56 -0.15 0.00 0.04 0.00 0.00 61.00 62.45 2yth s PRO 43 Cb 0.00 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2yth s PRO 43 CO 0.00 -0.93 0.54 -1.12 0.04 0.00 0.00 177.00 175.53 2yth s SER 44 N -1.95 -0.14 0.03 6.66 0.01 -1.26 -5.18 113.70 111.87 2yth s SER 44 Ca 0.71 -0.84 -0.02 0.00 1.31 0.00 0.00 55.95 57.12 2yth s SER 44 Cb -0.23 0.62 -0.02 0.00 0.21 0.00 0.00 66.02 66.60 2yth s SER 44 CO 0.30 -1.19 -0.00 -0.55 0.41 0.00 0.00 173.24 172.21 2yth s SER 45 N -2.99 0.28 0.00 2.44 0.15 -1.26 -5.24 113.70 107.08 2yth s SER 45 Ca 0.19 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.24 2yth s SER 45 Cb -0.02 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2yth s SER 45 CO 0.08 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.72