#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eoo s SER 2 N 0.00 -0.05 0.19 1.61 1.04 -1.26 -5.18 113.70 110.05 2eoo s SER 2 Ca 0.00 -0.99 0.09 0.00 0.48 0.00 0.00 55.95 55.53 2eoo s SER 2 Cb 0.00 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 2eoo s SER 2 CO 0.00 -1.11 -0.18 -0.94 0.98 0.00 0.00 173.24 171.98 2eoo s SER 3 N -3.04 2.85 0.57 7.02 1.04 -1.26 -5.13 113.70 115.75 2eoo s SER 3 Ca 0.24 -0.92 -0.17 0.00 0.48 0.00 0.00 55.95 55.58 2eoo s SER 3 Cb 0.00 -0.18 -0.05 0.00 0.10 0.00 0.00 66.02 65.89 2eoo s SER 3 CO 0.10 -0.04 1.07 -0.83 0.98 0.00 0.00 173.24 174.52 2eoo s GLY 4 N -2.90 2.30 0.03 7.32 0.00 -1.26 -5.06 107.32 107.75 2eoo s GLY 4 Ca 0.19 0.53 0.05 0.00 0.00 0.00 0.00 44.72 45.49 2eoo s GLY 4 CO 0.08 0.86 -0.14 -0.45 0.00 0.00 0.00 173.10 173.46 2eoo s SER 5 N -2.40 1.60 -0.22 1.64 0.15 -1.26 -5.06 113.70 108.15 2eoo s SER 5 Ca 0.66 -0.44 -0.12 0.00 0.70 0.00 0.00 55.95 56.76 2eoo s SER 5 Cb -0.18 -0.11 -0.09 0.00 -1.71 0.00 0.00 66.02 63.93 2eoo s SER 5 CO 0.32 0.04 -0.30 -1.54 1.20 0.00 0.00 173.24 172.95 2eoo n SER 6 N 1.97 1.66 0.00 5.45 3.41 -1.26 -5.10 113.62 119.75 2eoo n SER 6 Ca -0.18 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2eoo n SER 6 Cb 0.55 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2eoo n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eoo n GLY 7 N 1.57 3.68 3.49 5.00 0.00 -1.26 -5.19 105.19 112.49 2eoo n GLY 7 Ca -0.42 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 2eoo n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eoo s SER 8 N 1.49 2.64 -0.28 1.61 0.15 -1.26 -5.12 113.70 112.92 2eoo s SER 8 Ca 0.00 -1.59 -0.24 0.00 0.70 0.00 0.00 55.95 54.82 2eoo s SER 8 Cb 0.00 0.36 -0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2eoo s SER 8 CO 0.00 -0.85 0.79 -0.83 1.20 0.00 0.00 173.24 173.56 2eoo s GLY 9 N -3.57 1.72 -0.26 9.45 0.00 -1.26 -4.92 107.32 108.49 2eoo s GLY 9 Ca 0.27 -0.34 -0.15 0.00 0.00 0.00 0.00 44.72 44.50 2eoo s GLY 9 CO 0.14 1.76 -0.19 1.18 0.00 0.00 0.00 173.10 175.99 2eoo n GLU 10 N 6.13 0.59 -0.97 2.90 1.02 -1.26 -4.99 120.64 124.05 2eoo n GLU 10 Ca 0.04 0.34 -0.32 0.00 -0.02 0.00 0.00 57.16 57.20 2eoo n GLU 10 Cb 0.48 -1.57 -0.01 0.00 -0.02 0.00 0.00 31.44 30.32 2eoo n GLU 10 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2eoo n ARG 11 N -4.25 0.00 0.00 3.49 5.12 -1.26 -4.77 116.66 114.99 2eoo n ARG 11 Ca -0.48 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 55.51 2eoo n ARG 11 Cb 0.84 -0.73 0.31 0.00 -1.16 0.00 0.00 32.46 31.72 2eoo n ARG 11 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2eoo n PRO 12 N 0.88 0.00 -3.82 5.56 -0.04 -1.26 -4.32 135.00 132.00 2eoo n PRO 12 Ca 0.10 0.25 -0.30 0.00 -0.04 0.00 0.00 63.50 63.51 2eoo n PRO 12 Cb 0.25 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.06 2eoo n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2eoo s TYR 13 N -3.00 2.35 -0.05 0.54 2.02 -1.26 -5.08 117.35 112.87 2eoo s TYR 13 Ca 0.07 -2.13 0.01 0.00 -0.37 0.00 0.00 57.07 54.65 2eoo s TYR 13 Cb 0.09 -2.09 0.02 0.00 -0.40 0.00 0.00 41.96 39.58 2eoo s TYR 13 CO 0.26 -0.90 -0.06 0.20 -1.57 0.00 0.00 175.55 173.48 2eoo s GLY 14 N 1.39 0.55 -0.25 0.71 0.00 -1.26 -0.66 107.32 107.80 2eoo s GLY 14 Ca 0.10 -0.17 -0.15 0.00 0.00 0.00 0.00 44.72 44.50 2eoo s GLY 14 CO -0.20 0.42 0.39 0.00 0.00 0.00 0.00 173.10 173.71 2eoo h ASN 16 N 7.95 0.62 -0.84 0.00 4.21 -1.95 -0.94 115.58 124.63 2eoo h ASN 16 Ca -0.32 -0.90 0.09 0.00 1.21 0.00 0.00 56.30 56.38 2eoo h ASN 16 Cb 1.16 -0.20 -0.11 0.00 -1.12 0.00 0.00 38.32 38.04 2eoo h ASN 16 CO 0.67 1.75 -0.44 1.21 -1.29 0.00 0.00 177.43 179.34 2eoo n GLU 17 N -3.59 -0.31 -0.10 0.81 2.13 -1.26 -3.44 120.64 114.88 2eoo n GLU 17 Ca -0.23 1.28 -0.18 0.00 0.66 0.00 0.00 57.16 58.68 2eoo n GLU 17 Cb 1.08 -1.88 -0.07 0.00 0.27 0.00 0.00 31.44 30.83 2eoo n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2eoo n GLY 19 N 2.06 0.84 2.81 0.00 0.00 -0.40 -5.12 105.19 105.39 2eoo n GLY 19 Ca -0.36 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 2eoo n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eoo s LYS 20 N 0.08 0.85 0.34 1.61 1.02 -0.92 -4.94 119.74 117.78 2eoo s LYS 20 Ca 0.00 0.00 0.07 0.00 0.02 0.00 0.00 55.97 56.07 2eoo s LYS 20 Cb 0.00 -1.12 -0.02 0.00 -0.52 0.00 0.00 37.83 36.17 2eoo s LYS 20 CO 0.00 -0.28 0.36 0.54 -0.92 0.00 0.00 175.35 175.05 2eoo s ASN 21 N 1.84 5.53 0.02 2.83 2.20 -1.26 -1.57 114.94 124.52 2eoo s ASN 21 Ca 0.04 -0.39 -0.08 0.00 -0.94 0.00 0.00 52.86 51.48 2eoo s ASN 21 Cb -0.12 -1.06 0.00 0.00 -2.00 0.00 0.00 41.25 38.07 2eoo s ASN 21 CO -0.06 -0.38 0.17 -0.36 -2.94 0.00 0.00 177.10 173.53 2eoo s PHE 22 N -2.26 0.05 -0.35 1.54 0.08 0.16 -4.97 117.98 112.23 2eoo s PHE 22 Ca 0.42 -0.21 0.04 0.00 0.12 0.00 0.00 56.93 57.31 2eoo s PHE 22 Cb -0.07 -0.04 0.45 0.00 -0.57 0.00 0.00 43.02 42.79 2eoo s PHE 22 CO 0.28 -0.36 1.51 0.41 -0.10 0.00 0.00 175.22 176.96 2eoo n GLY 23 N 1.06 3.28 3.34 4.36 0.00 -1.26 -3.98 105.19 111.98 2eoo n GLY 23 Ca -0.21 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 2eoo n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2eoo s ARG 24 N -2.11 1.04 -0.03 1.61 0.52 -1.26 -5.07 118.95 113.65 2eoo s ARG 24 Ca 0.36 -0.54 -0.15 0.00 -0.52 0.00 0.00 55.73 54.88 2eoo s ARG 24 Cb 0.29 0.46 -0.08 0.00 0.52 0.00 0.00 34.95 36.14 2eoo s ARG 24 CO 0.08 -0.40 0.64 1.25 0.02 0.00 0.00 175.30 176.89 2eoo h HIS 25 N 2.55 -0.51 -0.72 -0.53 -0.00 -2.00 -3.09 115.15 110.85 2eoo h HIS 25 Ca -0.33 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.13 2eoo h HIS 25 Cb 1.24 0.17 -0.08 0.00 -0.00 0.00 0.00 27.41 28.74 2eoo h HIS 25 CO 0.34 -0.32 0.35 0.66 -0.00 0.00 0.00 177.93 178.96 2eoo h SER 26 N -1.14 0.43 -0.82 3.26 4.64 -1.99 -1.02 113.55 116.91 2eoo h SER 26 Ca -0.06 0.07 0.16 0.00 -0.47 0.00 0.00 61.79 61.50 2eoo h SER 26 Cb 0.42 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.41 2eoo h SER 26 CO 0.09 0.23 0.37 0.45 -0.87 0.00 0.00 176.83 177.10 2eoo h HIS 27 N 0.57 0.63 -0.23 4.77 3.86 -1.98 0.12 115.15 122.89 2eoo h HIS 27 Ca 0.37 0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.53 2eoo h HIS 27 Cb 0.43 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 2eoo h HIS 27 CO -0.12 0.08 -0.19 1.25 0.86 0.00 0.00 177.93 179.81 2eoo h LEU 28 N 0.49 0.57 -0.39 2.43 5.85 -1.13 -1.92 115.31 121.21 2eoo h LEU 28 Ca 0.46 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2eoo h LEU 28 Cb 0.74 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2eoo h LEU 28 CO -0.42 0.91 0.19 0.40 -0.34 0.00 0.00 178.44 179.18 2eoo h ILE 29 N 0.24 0.97 -0.29 4.05 1.08 -0.36 -1.41 117.51 121.79 2eoo h ILE 29 Ca 0.04 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.36 2eoo h ILE 29 Cb 0.73 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 2eoo h ILE 29 CO 0.05 0.07 0.10 -0.08 -0.69 0.00 0.00 178.15 177.60 2eoo h GLU 30 N 0.39 0.44 -0.38 2.37 4.57 -0.81 -2.60 114.58 118.56 2eoo h GLU 30 Ca 0.17 -0.09 0.07 0.00 -1.18 0.00 0.00 59.36 58.33 2eoo h GLU 30 Cb 0.08 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.54 2eoo h GLU 30 CO -0.12 0.49 0.00 1.25 -1.18 0.00 0.00 179.01 179.44 2eoo h HIS 31 N 0.31 -0.02 -0.29 0.92 2.76 -1.03 -2.26 115.15 115.55 2eoo h HIS 31 Ca 0.09 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.34 2eoo h HIS 31 Cb 0.22 0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.20 2eoo h HIS 31 CO 0.00 -0.07 0.02 -0.07 -1.30 0.00 0.00 177.93 176.51 2eoo h LEU 32 N 0.10 -0.08 -0.94 0.26 3.38 -1.15 -2.26 115.31 114.62 2eoo h LEU 32 Ca 0.19 0.06 0.27 0.00 0.09 0.00 0.00 57.88 58.49 2eoo h LEU 32 Cb 0.26 0.10 -0.18 0.00 0.09 0.00 0.00 40.66 40.93 2eoo h LEU 32 CO -0.31 -0.01 0.06 0.29 0.09 0.00 0.00 178.44 178.57 2eoo n LYS 33 N -5.14 -0.07 -0.23 1.13 5.02 -0.85 -0.34 118.16 117.68 2eoo n LYS 33 Ca -0.00 1.40 -0.12 0.00 -2.02 0.00 0.00 58.31 57.57 2eoo n LYS 33 Cb 0.14 -2.25 -0.08 0.00 -0.02 0.00 0.00 35.03 32.82 2eoo n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2eoo h ARG 34 N 0.00 -0.25 -0.89 1.97 2.47 -1.38 -0.17 114.38 116.14 2eoo h ARG 34 Ca 0.59 0.02 0.16 0.00 -1.26 0.00 0.00 59.98 59.49 2eoo h ARG 34 Cb 1.26 0.06 -0.16 0.00 -1.65 0.00 0.00 29.97 29.48 2eoo h ARG 34 CO -0.87 -0.16 -0.28 0.45 0.56 0.00 0.00 179.97 179.66 2eoo h HIS 35 N -0.26 -0.70 -0.84 3.04 3.86 -0.81 -0.37 115.15 119.07 2eoo h HIS 35 Ca 0.12 0.09 0.09 0.00 -1.16 0.00 0.00 60.37 59.51 2eoo h HIS 35 Cb 0.55 0.44 -0.11 0.00 1.06 0.00 0.00 27.41 29.35 2eoo h HIS 35 CO -0.80 -0.39 -0.45 0.34 0.86 0.00 0.00 177.93 177.49 2eoo n PHE 36 N -5.53 -0.26 -1.68 2.45 7.35 -0.08 -4.41 117.46 115.30 2eoo n PHE 36 Ca 0.12 1.05 -0.39 0.00 -0.76 0.00 0.00 57.45 57.47 2eoo n PHE 36 Cb 0.43 -0.64 0.04 0.00 0.35 0.00 0.00 39.48 39.66 2eoo n PHE 36 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2eoo n ARG 37 N -5.11 1.39 -3.66 -4.13 0.63 -0.15 -5.02 116.66 100.62 2eoo n ARG 37 Ca 0.04 0.52 -0.13 0.00 -0.92 0.00 0.00 57.85 57.36 2eoo n ARG 37 Cb 0.25 -2.35 -0.08 0.00 0.45 0.00 0.00 32.46 30.73 2eoo n ARG 37 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2eoo s GLU 38 N -2.68 0.73 0.19 -0.14 -1.05 -1.26 -5.02 118.70 109.46 2eoo s GLU 38 Ca 0.71 0.94 -0.33 0.00 -0.15 0.00 0.00 54.97 56.14 2eoo s GLU 38 Cb -0.44 0.31 -0.14 0.00 -0.44 0.00 0.00 34.13 33.42 2eoo s GLU 38 CO 0.50 -0.10 1.49 1.63 0.95 0.00 0.00 175.26 179.73 2eoo n LYS 39 N 3.06 2.03 -3.21 -4.83 5.02 -1.26 -4.97 118.16 114.00 2eoo n LYS 39 Ca -0.15 0.73 -0.28 0.00 -2.02 0.00 0.00 58.31 56.59 2eoo n LYS 39 Cb 0.56 -2.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.10 2eoo n LYS 39 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2eoo s SER 40 N 0.63 6.42 -0.42 4.39 0.01 -1.26 -5.01 113.70 118.46 2eoo s SER 40 Ca 0.75 0.76 0.04 0.00 1.31 0.00 0.00 55.95 58.81 2eoo s SER 40 Cb -0.69 -2.17 0.48 0.00 0.21 0.00 0.00 66.02 63.86 2eoo s SER 40 CO 0.43 -0.27 1.57 -1.54 0.41 0.00 0.00 173.24 173.84 2eoo n SER 41 N -1.21 5.13 0.00 2.44 3.41 -1.26 -4.39 113.62 117.74 2eoo n SER 41 Ca -0.01 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.83 2eoo n SER 41 Cb 0.54 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2eoo n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eoo n GLY 42 N -0.91 -0.41 0.00 5.00 0.00 -1.26 -4.55 105.19 103.06 2eoo n GLY 42 Ca 0.48 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.56 2eoo n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eoo n PRO 43 N -2.13 0.49 -3.24 1.61 -0.04 -1.26 -4.84 135.00 125.59 2eoo n PRO 43 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 2eoo n PRO 43 Cb 0.00 -1.38 0.07 0.00 -0.04 0.00 0.00 33.50 32.15 2eoo n PRO 43 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2eoo n SER 44 N -0.88 -3.19 -4.61 3.54 7.64 -1.26 -4.90 113.62 109.96 2eoo n SER 44 Ca 0.09 -0.48 -0.48 0.00 1.01 0.00 0.00 58.87 59.01 2eoo n SER 44 Cb 0.04 -4.25 -0.04 0.00 -1.01 0.00 0.00 64.21 58.96 2eoo n SER 44 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2eoo n SER 45 N -2.55 1.78 -0.07 6.43 7.64 -1.26 -5.13 113.62 120.45 2eoo n SER 45 Ca -0.16 1.14 0.01 0.00 1.01 0.00 0.00 58.87 60.87 2eoo n SER 45 Cb 0.61 -1.28 0.01 0.00 -1.01 0.00 0.00 64.21 62.54 2eoo n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64