#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yth h SER 2 N 0.00 -0.47 -6.52 1.61 0.02 -2.10 -3.47 113.55 102.63 2yth h SER 2 Ca 0.00 -0.11 -0.51 0.00 -0.84 0.00 0.00 61.79 60.33 2yth h SER 2 Cb 0.00 0.12 -0.11 0.00 0.14 0.00 0.00 62.40 62.55 2yth h SER 2 CO 0.00 -0.06 -0.82 -0.24 -1.14 0.00 0.00 176.83 174.57 2yth n SER 3 N -5.17 -3.19 0.00 3.07 2.88 -1.26 -4.21 113.62 105.74 2yth n SER 3 Ca -0.09 -0.92 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 2yth n SER 3 Cb 0.28 -3.27 0.00 0.00 -0.75 0.00 0.00 64.21 60.48 2yth n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yth n GLY 4 N -1.61 0.50 2.87 0.46 0.00 -1.26 -5.00 105.19 101.14 2yth n GLY 4 Ca -0.02 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.74 2yth n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yth n SER 5 N 0.00 -4.24 -3.56 1.61 7.64 -1.26 -5.01 113.62 108.80 2yth n SER 5 Ca 0.00 -0.38 -0.10 0.00 1.01 0.00 0.00 58.87 59.40 2yth n SER 5 Cb 0.00 -3.63 -0.04 0.00 -1.01 0.00 0.00 64.21 59.53 2yth n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yth s SER 6 N -3.41 -0.36 -0.41 6.43 0.15 -1.26 -5.10 113.70 109.74 2yth s SER 6 Ca 0.30 0.32 -0.31 0.00 0.70 0.00 0.00 55.95 56.95 2yth s SER 6 Cb -0.13 0.31 -0.10 0.00 -1.71 0.00 0.00 66.02 64.39 2yth s SER 6 CO 0.50 -0.39 2.30 0.61 1.20 0.00 0.00 173.24 177.46 2yth n GLY 7 N 0.52 0.45 2.92 9.45 0.00 -1.26 -4.90 105.19 112.38 2yth n GLY 7 Ca -0.10 0.86 -0.30 0.00 0.00 0.00 0.00 46.02 46.48 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 8.82 4.30 0.00 1.61 0.01 -1.26 -4.91 113.70 122.27 2yth s SER 8 Ca 1.08 -2.77 0.00 0.00 1.31 0.00 0.00 55.95 55.57 2yth s SER 8 Cb -0.62 -1.53 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2yth s SER 8 CO 0.41 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.40 2yth n GLY 9 N 3.42 -0.31 0.36 3.44 0.00 -1.26 -4.98 105.19 105.85 2yth n GLY 9 Ca 0.05 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 2yth n GLY 9 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2yth h GLU 10 N 0.00 -0.35 -6.88 1.61 5.08 -1.96 -3.40 114.58 108.67 2yth h GLU 10 Ca 0.00 0.02 -0.50 0.00 -1.00 0.00 0.00 59.36 57.88 2yth h GLU 10 Cb 0.00 0.08 0.03 0.00 0.50 0.00 0.00 28.75 29.36 2yth h GLU 10 CO 0.00 -0.23 0.47 0.15 -1.00 0.00 0.00 179.01 178.40 2yth s LYS 11 N -5.96 4.36 0.20 2.33 1.02 -1.26 -4.96 119.74 115.47 2yth s LYS 11 Ca -0.15 1.76 -0.04 0.00 0.02 0.00 0.00 55.97 57.56 2yth s LYS 11 Cb 0.11 -2.89 0.14 0.00 -0.52 0.00 0.00 37.83 34.67 2yth s LYS 11 CO 0.66 -0.03 1.56 -1.00 -0.92 0.00 0.00 175.35 175.62 2yth h PRO 12 N 3.17 0.66 -5.84 -1.68 0.13 -1.83 -3.40 132.00 123.20 2yth h PRO 12 Ca -0.48 -0.34 -0.60 0.00 -0.87 0.00 0.00 66.00 63.71 2yth h PRO 12 Cb 1.22 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.24 2yth h PRO 12 CO 0.65 0.95 0.86 -0.06 -0.23 0.00 0.00 178.00 180.17 2yth s PHE 13 N -4.26 2.54 0.25 1.56 0.08 -1.26 -4.99 117.98 111.90 2yth s PHE 13 Ca -0.08 -0.45 0.07 0.00 0.12 0.00 0.00 56.93 56.59 2yth s PHE 13 Cb 0.12 -4.47 -0.05 0.00 -0.57 0.00 0.00 43.02 38.05 2yth s PHE 13 CO 0.84 -1.84 -0.09 -0.65 -0.10 0.00 0.00 175.22 173.38 2yth s GLN 14 N 4.71 1.45 1.09 0.44 -0.21 -1.25 -0.91 119.66 124.98 2yth s GLN 14 Ca 0.30 -1.70 -0.18 0.00 0.02 0.00 0.00 55.36 53.80 2yth s GLN 14 Cb -0.11 -1.12 0.26 0.00 1.00 0.00 0.00 33.01 33.04 2yth s GLN 14 CO 0.09 0.09 1.20 0.00 -2.12 0.00 0.00 175.29 174.55 2yth n GLU 16 N -4.28 1.31 -0.01 0.00 2.13 -1.26 -3.48 120.64 115.05 2yth n GLU 16 Ca 0.16 -0.03 0.07 0.00 0.66 0.00 0.00 57.16 58.02 2yth n GLU 16 Cb 0.58 -1.12 -0.13 0.00 0.27 0.00 0.00 31.44 31.03 2yth n GLU 16 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2yth n GLU 17 N -1.86 0.59 0.00 5.31 4.07 -1.26 -4.56 120.64 122.92 2yth n GLU 17 Ca -0.03 -0.15 0.00 0.00 -0.06 0.00 0.00 57.16 56.92 2yth n GLU 17 Cb 0.33 -1.41 0.00 0.00 -0.06 0.00 0.00 31.44 30.30 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 -0.04 -0.44 2.81 0.00 0.00 -1.23 -4.81 105.19 101.49 2yth n GLY 19 Ca 0.00 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.89 -1.07 -4.01 1.61 4.76 -1.26 -4.56 118.16 109.73 2yth n LYS 20 Ca -0.13 -1.49 -0.31 0.00 -2.87 0.00 0.00 58.31 53.51 2yth n LYS 20 Cb 0.45 -1.02 -0.16 0.00 -1.84 0.00 0.00 35.03 32.46 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 -5.11 2.19 -0.01 1.97 0.52 -1.26 -3.21 118.95 114.03 2yth s ARG 21 Ca 0.55 -0.78 0.05 0.00 -0.52 0.00 0.00 55.73 55.03 2yth s ARG 21 Cb -0.02 -2.35 -0.01 0.00 0.52 0.00 0.00 34.95 33.09 2yth s ARG 21 CO 0.39 -0.36 -0.15 -0.06 0.02 0.00 0.00 175.30 175.14 2yth s PHE 22 N 1.40 1.31 -0.02 -0.53 0.08 -0.09 -5.03 117.98 115.11 2yth s PHE 22 Ca 0.01 -0.25 -0.21 0.00 0.12 0.00 0.00 56.93 56.60 2yth s PHE 22 Cb -0.15 -0.84 -0.30 0.00 -0.57 0.00 0.00 43.02 41.16 2yth s PHE 22 CO -0.09 -0.02 0.97 1.79 -0.10 0.00 0.00 175.22 177.76 2yth h THR 23 N 4.77 1.46 -2.90 0.64 1.35 -2.00 -3.35 112.91 112.89 2yth h THR 23 Ca -0.35 -2.43 -0.67 0.00 -0.55 0.00 0.00 66.41 62.42 2yth h THR 23 Cb 1.16 3.01 -0.10 0.00 -1.73 0.00 0.00 68.15 70.49 2yth h THR 23 CO 0.49 0.70 -0.53 -1.58 -0.25 0.00 0.00 175.52 174.35 2yth s GLN 24 N -2.67 3.38 0.23 4.72 2.00 -1.26 -4.91 119.66 121.14 2yth s GLN 24 Ca -0.13 -0.22 -0.07 0.00 -2.00 0.00 0.00 55.36 52.94 2yth s GLN 24 Cb 0.02 -3.09 0.31 0.00 0.80 0.00 0.00 33.01 31.05 2yth s GLN 24 CO 0.84 0.71 1.84 -2.95 -0.50 0.00 0.00 175.29 175.23 2yth h ASN 25 N 5.20 0.74 -0.15 6.67 7.08 -1.97 -2.61 115.58 130.55 2yth h ASN 25 Ca -0.52 0.02 0.05 0.00 -3.08 0.00 0.00 56.30 52.77 2yth h ASN 25 Cb 1.21 -0.13 -0.06 0.00 -2.08 0.00 0.00 38.32 37.26 2yth h ASN 25 CO 0.58 0.47 -0.25 -1.28 -2.08 0.00 0.00 177.43 174.88 2yth h SER 26 N 0.87 -0.76 -1.02 6.14 0.87 -1.98 0.15 113.55 117.82 2yth h SER 26 Ca 0.35 0.12 0.29 0.00 -1.23 0.00 0.00 61.79 61.33 2yth h SER 26 Cb 0.18 0.34 -0.14 0.00 -0.44 0.00 0.00 62.40 62.35 2yth h SER 26 CO -0.18 -0.29 0.60 0.45 -0.53 0.00 0.00 176.83 176.88 2yth h HIS 27 N -0.30 0.93 0.17 2.24 3.86 -1.89 -0.49 115.15 119.68 2yth h HIS 27 Ca 0.11 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 2yth h HIS 27 Cb 0.46 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.68 2yth h HIS 27 CO -0.35 -0.07 -0.08 1.25 0.86 0.00 0.00 177.93 179.54 2yth h LEU 28 N 0.42 -0.20 -0.96 2.43 5.85 -1.12 -0.79 115.31 120.94 2yth h LEU 28 Ca 0.69 0.01 0.30 0.00 0.84 0.00 0.00 57.88 59.73 2yth h LEU 28 Cb 1.53 0.05 -0.18 0.00 0.37 0.00 0.00 40.66 42.43 2yth h LEU 28 CO -0.53 0.23 0.16 1.41 -0.34 0.00 0.00 178.44 179.38 2yth n HIS 29 N -4.72 0.76 0.03 1.25 8.25 0.39 0.27 115.22 121.44 2yth n HIS 29 Ca -0.03 1.15 -0.19 0.00 -0.26 0.00 0.00 57.72 58.39 2yth n HIS 29 Cb 0.09 -1.31 -0.13 0.00 1.12 0.00 0.00 29.99 29.77 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 0.53 -0.82 0.41 0.87 -1.21 -3.25 113.55 110.08 2yth h SER 30 Ca 0.65 -0.84 0.21 0.00 -1.23 0.00 0.00 61.79 60.58 2yth h SER 30 Cb 1.47 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 63.22 2yth h SER 30 CO -0.86 1.31 0.57 -0.74 -0.53 0.00 0.00 176.83 176.59 2yth h HIS 31 N -0.19 0.20 -0.44 2.24 -0.00 0.14 0.12 115.15 117.22 2yth h HIS 31 Ca -0.11 0.01 0.13 0.00 -0.00 0.00 0.00 60.37 60.39 2yth h HIS 31 Cb 1.48 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 28.81 2yth h HIS 31 CO 0.17 0.06 0.57 1.96 -0.00 0.00 0.00 177.93 180.68 2yth h GLN 32 N 0.16 0.00 -0.30 5.26 4.20 -0.83 0.26 115.11 123.85 2yth h GLN 32 Ca 0.40 0.00 0.08 0.00 0.06 0.00 0.00 58.65 59.19 2yth h GLN 32 Cb 1.35 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 2yth h GLN 32 CO -0.07 0.00 0.22 0.00 -0.67 0.00 0.00 178.83 178.31 2yth h ARG 33 N 0.00 0.06 0.00 1.46 3.08 -0.97 0.04 114.38 118.05 2yth h ARG 33 Ca 0.21 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2yth h ARG 33 Cb 1.34 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.37 2yth h ARG 33 CO -0.00 0.04 0.10 1.33 -1.07 0.00 0.00 179.97 180.36 2yth n VAL 34 N -4.46 1.22 0.03 2.04 0.24 0.92 -0.81 118.33 117.51 2yth n VAL 34 Ca 0.04 0.64 0.01 0.00 -2.04 0.00 0.00 64.34 62.99 2yth n VAL 34 Cb 0.34 -1.64 -0.01 0.00 -1.47 0.00 0.00 33.84 31.05 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 -1.88 0.00 -1.17 6.34 8.25 -0.04 -5.05 115.22 121.68 2yth n HIS 35 Ca -0.01 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.00 2yth n HIS 35 Cb 0.11 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.13 2yth n HIS 35 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2yth n THR 36 N -1.39 0.00 -2.90 1.59 5.66 0.01 -3.08 114.28 114.17 2yth n THR 36 Ca -0.00 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.99 2yth n THR 36 Cb 0.04 -0.26 -0.00 0.00 -1.55 0.00 0.00 70.33 68.55 2yth n THR 36 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2yth n GLY 37 N 2.35 -2.60 3.63 1.09 0.00 -1.26 -4.91 105.19 103.48 2yth n GLY 37 Ca 0.20 0.38 -0.40 0.00 0.00 0.00 0.00 46.02 46.19 2yth n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yth s GLU 38 N -1.24 4.11 -1.15 1.61 2.02 -1.18 -4.19 118.70 118.68 2yth s GLU 38 Ca -0.02 0.52 -0.02 0.00 0.02 0.00 0.00 54.97 55.47 2yth s GLU 38 Cb 0.00 -3.65 -0.02 0.00 0.10 0.00 0.00 34.13 30.56 2yth s GLU 38 CO 0.46 -0.40 0.97 1.17 0.02 0.00 0.00 175.26 177.49 2yth n LYS 39 N 5.66 -5.39 -2.05 1.61 3.00 -1.26 -4.86 118.16 114.88 2yth n LYS 39 Ca -0.01 0.85 -0.27 0.00 -0.00 0.00 0.00 58.31 58.88 2yth n LYS 39 Cb 0.49 -5.85 -0.05 0.00 0.00 0.00 0.00 35.03 29.62 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 -5.08 2.53 -0.31 1.64 0.04 -1.26 -4.80 135.00 127.76 2yth s PRO 40 Ca 0.13 -0.57 -0.01 0.00 0.04 0.00 0.00 61.00 60.59 2yth s PRO 40 Cb -0.02 -5.12 0.23 0.00 0.04 0.00 0.00 34.50 29.63 2yth s PRO 40 CO 0.73 -3.58 1.95 0.45 0.04 0.00 0.00 177.00 176.59 2yth n SER 41 N 14.13 6.11 0.00 6.66 2.88 -1.26 -4.57 113.62 137.57 2yth n SER 41 Ca 0.42 -3.03 0.00 0.00 -1.33 0.00 0.00 58.87 54.93 2yth n SER 41 Cb 0.47 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 2yth n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yth n GLY 42 N 0.27 0.42 0.00 0.46 0.00 -1.26 -5.00 105.19 100.08 2yth n GLY 42 Ca 0.30 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 46.06 2yth n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yth n PRO 43 N 0.00 0.46 -3.90 1.61 -0.04 -1.26 -4.85 135.00 127.01 2yth n PRO 43 Ca 0.00 0.02 -0.30 0.00 -0.04 0.00 0.00 63.50 63.18 2yth n PRO 43 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 2yth n PRO 43 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yth n SER 44 N -1.03 -4.46 -4.87 3.54 3.41 -1.26 -4.95 113.62 104.00 2yth n SER 44 Ca 0.11 -0.79 -0.33 0.00 -0.26 0.00 0.00 58.87 57.60 2yth n SER 44 Cb 0.06 -3.87 -0.05 0.00 -0.26 0.00 0.00 64.21 60.08 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 -3.40 6.67 0.00 4.04 0.01 -1.26 -5.32 113.70 114.44 2yth s SER 45 Ca 0.61 0.92 0.31 0.00 1.31 0.00 0.00 55.95 59.10 2yth s SER 45 Cb -0.30 -2.23 1.66 0.00 0.21 0.00 0.00 66.02 65.36 2yth s SER 45 CO 0.83 0.02 2.09 0.61 0.41 0.00 0.00 173.24 177.20