#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3p n GLY 5 N 0.00 0.90 0.00 0.55 0.00 -1.26 -4.78 105.19 100.60 1a3p n GLY 5 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1a3p n GLY 5 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a3p n PRO 7 N 0.00 0.00 0.01 1.61 -0.04 -1.26 -5.00 135.00 130.31 1a3p n PRO 7 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 1a3p n PRO 7 Cb 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 1a3p n PRO 7 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1a3p n SER 8 N 0.00 0.24 -3.67 3.54 7.64 -1.26 -4.88 113.62 115.23 1a3p n SER 8 Ca 0.00 0.10 -0.10 0.00 1.01 0.00 0.00 58.87 59.87 1a3p n SER 8 Cb 0.00 1.42 -0.11 0.00 -1.01 0.00 0.00 64.21 64.51 1a3p n SER 8 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1a3p s SER 9 N -4.90 -0.07 -0.19 6.43 0.15 -1.26 -5.00 113.70 108.86 1a3p s SER 9 Ca -0.06 0.83 0.13 0.00 0.70 0.00 0.00 55.95 57.54 1a3p s SER 9 Cb 0.12 1.04 0.41 0.00 -1.71 0.00 0.00 66.02 65.88 1a3p s SER 9 CO 0.87 -0.23 1.21 0.00 1.20 0.00 0.00 173.24 176.29 1a3p n TYR 10 N 5.24 0.00 -3.87 3.44 0.18 -1.26 -4.88 117.16 116.01 1a3p n TYR 10 Ca -0.10 -1.38 -0.36 0.00 1.88 0.00 0.00 57.90 57.95 1a3p n TYR 10 Cb 0.50 -0.23 -0.08 0.00 -0.38 0.00 0.00 39.34 39.15 1a3p n TYR 10 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1a3p s ASP 11 N -3.12 6.13 -2.05 9.48 1.11 -1.26 -4.04 116.67 122.92 1a3p s ASP 11 Ca 0.37 0.29 0.00 0.00 0.18 0.00 0.00 52.55 53.39 1a3p s ASP 11 Cb 0.36 -2.02 0.00 0.00 1.07 0.00 0.00 42.92 42.33 1a3p s ASP 11 CO -0.07 0.28 0.00 0.61 1.18 0.00 0.00 175.17 177.17 1a3p n GLY 12 N 2.86 1.02 0.09 0.21 0.00 -1.26 -4.83 105.19 103.28 1a3p n GLY 12 Ca -0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 1a3p n GLY 12 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1a3p n TYR 13 N -3.03 0.81 -4.31 1.61 4.19 -1.26 -4.93 117.16 110.25 1a3p n TYR 13 Ca -0.22 0.27 -0.25 0.00 3.31 0.00 0.00 57.90 61.01 1a3p n TYR 13 Cb 0.69 -1.05 -0.12 0.00 0.49 0.00 0.00 39.34 39.35 1a3p n TYR 13 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1a3p n LEU 15 N 1.00 2.35 0.20 0.00 0.00 0.38 -4.97 117.00 115.96 1a3p n LEU 15 Ca -0.19 -0.05 0.00 0.00 0.00 0.00 0.00 56.01 55.77 1a3p n LEU 15 Cb 0.54 -0.27 0.00 0.00 0.00 0.00 0.00 43.42 43.69 1a3p n LEU 15 CO 0.23 0.59 0.00 0.59 0.00 0.00 0.00 177.39 178.80 1a3p n ASN 16 N -2.73 -2.28 -1.20 1.96 3.02 -1.25 -4.93 115.26 107.84 1a3p n ASN 16 Ca -0.19 0.72 0.08 0.00 -0.03 0.00 0.00 54.58 55.16 1a3p n ASN 16 Cb 0.74 2.23 0.30 0.00 -0.61 0.00 0.00 39.78 42.44 1a3p n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a3p n GLY 17 N 0.03 3.55 3.56 7.41 0.00 -1.26 -4.92 105.19 113.56 1a3p n GLY 17 Ca 0.00 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 1a3p n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a3p s GLY 18 N -1.47 0.42 0.00 -0.02 0.00 -1.26 -3.20 107.32 101.79 1a3p s GLY 18 Ca 0.45 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.87 1a3p s GLY 18 CO 0.13 3.25 0.00 -0.62 0.00 0.00 0.00 173.10 175.86 1a3p n VAL 19 N 7.32 0.00 0.00 1.40 0.31 -1.25 -4.75 118.33 121.36 1a3p n VAL 19 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 1a3p n VAL 19 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 1a3p n VAL 19 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1a3p n MET 21 N 0.00 0.00 -2.34 5.55 0.00 0.16 -0.18 117.12 120.31 1a3p n MET 21 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.27 1a3p n MET 21 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 1a3p n MET 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 1a3p s HIS 22 N 0.00 2.64 -0.29 3.17 2.46 -1.26 -0.90 115.29 121.11 1a3p s HIS 22 Ca 0.00 0.83 0.11 0.00 0.47 0.00 0.00 55.06 56.47 1a3p s HIS 22 Cb 0.00 -3.65 0.68 0.00 -0.13 0.00 0.00 32.58 29.49 1a3p s HIS 22 CO 0.00 -2.13 1.69 1.51 -2.47 0.00 0.00 174.74 173.33 1a3p n ILE 23 N 5.55 2.76 -0.41 0.89 0.13 0.62 -4.64 119.36 124.25 1a3p n ILE 23 Ca 0.15 -1.82 0.36 0.00 -1.10 0.00 0.00 62.75 60.34 1a3p n ILE 23 Cb 0.45 -0.33 0.62 0.00 -0.84 0.00 0.00 39.64 39.54 1a3p n ILE 23 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 1a3p n GLU 24 N -0.30 -0.04 -0.21 9.51 0.00 0.21 0.25 120.64 130.05 1a3p n GLU 24 Ca 0.35 1.22 0.15 0.00 0.00 0.00 0.00 57.16 58.88 1a3p n GLU 24 Cb 1.24 -2.35 0.28 0.00 0.00 0.00 0.00 31.44 30.61 1a3p n GLU 24 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1a3p n SER 25 N -4.76 0.07 -0.00 4.31 7.64 -1.26 -1.89 113.62 117.72 1a3p n SER 25 Ca 0.38 1.07 -0.01 0.00 1.01 0.00 0.00 58.87 61.33 1a3p n SER 25 Cb 1.41 -0.45 -0.00 0.00 -1.01 0.00 0.00 64.21 64.16 1a3p n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a3p n LEU 26 N -4.65 1.97 0.00 -3.43 -0.00 0.14 -5.07 117.00 105.96 1a3p n LEU 26 Ca 0.19 -0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 1a3p n LEU 26 Cb 0.65 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 44.06 1a3p n LEU 26 CO -0.02 0.35 0.00 0.47 -0.00 0.00 0.00 177.39 178.18 1a3p n ASP 27 N -2.36 0.00 0.00 1.45 8.00 0.70 -5.15 116.55 119.19 1a3p n ASP 27 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1a3p n ASP 27 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1a3p n ASP 27 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1a3p n SER 28 N -0.54 0.38 -4.89 -2.24 3.41 -1.22 -4.34 113.62 104.18 1a3p n SER 28 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 1a3p n SER 28 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1a3p n SER 28 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1a3p s TYR 29 N 2.29 3.58 0.31 7.33 5.04 -1.26 0.23 117.35 134.87 1a3p s TYR 29 Ca 0.00 0.53 -0.08 0.00 -2.44 0.00 0.00 57.07 55.07 1a3p s TYR 29 Cb 0.00 -1.95 0.01 0.00 0.35 0.00 0.00 41.96 40.37 1a3p s TYR 29 CO 0.00 0.65 0.52 -0.08 -1.34 0.00 0.00 175.55 175.30 1a3p s THR 30 N -1.23 0.00 -0.05 4.34 -1.32 -0.08 -4.72 115.64 112.58 1a3p s THR 30 Ca 0.24 -1.44 0.06 0.00 -1.21 0.00 0.00 61.69 59.34 1a3p s THR 30 Cb -0.13 -2.50 -0.01 0.00 -1.51 0.00 0.00 72.50 68.35 1a3p s THR 30 CO 0.14 0.00 -0.23 0.00 -2.21 0.00 0.00 174.62 172.32 1a3p n ASN 32 N 2.79 5.39 -4.75 0.00 5.15 0.75 -4.69 115.26 119.91 1a3p n ASN 32 Ca -0.17 -3.06 -0.38 0.00 -0.60 0.00 0.00 54.58 50.37 1a3p n ASN 32 Cb 0.52 -1.48 0.04 0.00 -0.53 0.00 0.00 39.78 38.33 1a3p n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a3p n VAL 34 N -1.06 0.00 0.33 0.00 3.14 -1.21 -4.74 118.33 114.79 1a3p n VAL 34 Ca 0.11 -0.11 0.12 0.00 -2.96 0.00 0.00 64.34 61.49 1a3p n VAL 34 Cb 0.45 -0.95 0.61 0.00 -1.06 0.00 0.00 33.84 32.89 1a3p n VAL 34 CO 0.00 0.00 0.00 -0.29 -6.46 0.00 0.00 176.83 170.08 1a3p h ILE 35 N -2.03 0.01 0.00 1.55 2.10 -1.93 0.46 117.51 117.67 1a3p h ILE 35 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.47 1a3p h ILE 35 Cb 1.29 0.49 0.00 0.00 -1.09 0.00 0.00 36.82 37.51 1a3p h ILE 35 CO 0.42 0.00 -1.74 0.61 -1.08 0.00 0.00 178.15 176.36 1a3p n GLY 36 N -1.30 -1.04 3.14 8.18 0.00 -1.26 -4.56 105.19 108.35 1a3p n GLY 36 Ca -0.01 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 1a3p n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a3p s TYR 37 N -3.42 2.15 0.00 1.61 2.02 0.16 0.34 117.35 120.20 1a3p s TYR 37 Ca -0.05 -0.86 0.00 0.00 -0.37 0.00 0.00 57.07 55.79 1a3p s TYR 37 Cb 0.14 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 40.23 1a3p s TYR 37 CO 0.89 -0.37 0.00 0.43 -1.57 0.00 0.00 175.55 174.93 1a3p n SER 38 N 3.65 1.39 0.00 2.29 7.64 -0.03 -3.31 113.62 125.26 1a3p n SER 38 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1a3p n SER 38 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1a3p n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a3p n GLY 39 N 3.68 2.06 0.00 0.23 0.00 -1.26 -2.06 105.19 107.84 1a3p n GLY 39 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1a3p n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a3p n ASP 40 N 2.35 0.00 -0.01 1.61 2.03 -1.26 -4.93 116.55 116.35 1a3p n ASP 40 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1a3p n ASP 40 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1a3p n ASP 40 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1a3p n ARG 41 N 0.00 3.18 -2.07 -0.67 0.00 -1.23 -3.92 116.66 111.95 1a3p n ARG 41 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1a3p n ARG 41 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 32.46 31.41 1a3p n ARG 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1a3p h GLN 43 N 0.00 0.00 -3.42 0.00 -0.00 -1.93 -3.38 115.11 106.38 1a3p h GLN 43 Ca 0.00 0.00 -0.71 0.00 -0.00 0.00 0.00 58.65 57.94 1a3p h GLN 43 Cb 0.87 0.00 -0.35 0.00 -0.00 0.00 0.00 27.48 28.00 1a3p h GLN 43 CO 0.00 0.08 -0.13 -0.08 -0.00 0.00 0.00 178.83 178.70 1a3p s THR 44 N -3.24 4.34 -1.03 1.86 -1.32 -1.25 -4.94 115.64 110.06 1a3p s THR 44 Ca -0.00 -3.55 -0.23 0.00 -1.21 0.00 0.00 61.69 56.69 1a3p s THR 44 Cb 0.09 -3.72 0.04 0.00 -1.51 0.00 0.00 72.50 67.40 1a3p s THR 44 CO 0.78 -1.04 1.53 -0.13 -2.21 0.00 0.00 174.62 173.56 1a3p s ARG 45 N -0.95 3.49 0.63 7.08 0.52 -1.26 -0.85 118.95 127.61 1a3p s ARG 45 Ca 0.24 -1.09 0.35 0.00 -0.52 0.00 0.00 55.73 54.71 1a3p s ARG 45 Cb -0.11 -5.34 1.98 0.00 0.52 0.00 0.00 34.95 32.00 1a3p s ARG 45 CO -0.10 -2.36 2.23 0.22 0.02 0.00 0.00 175.30 175.31 1a3p h ASP 46 N 9.80 0.00 0.00 0.23 1.82 0.53 -3.45 116.42 125.35 1a3p h ASP 46 Ca 0.21 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 1a3p h ASP 46 Cb 1.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.01 1a3p h ASP 46 CO 1.41 0.00 0.00 0.18 -1.61 0.00 0.00 179.24 179.22 1a3p n LEU 47 N -3.47 0.85 0.00 2.28 4.77 0.19 -4.98 117.00 116.63 1a3p n LEU 47 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1a3p n LEU 47 Cb 0.17 -1.85 0.00 0.00 -2.33 0.00 0.00 43.42 39.41 1a3p n LEU 47 CO 0.23 -0.69 0.15 -2.11 -1.33 0.00 0.00 177.39 173.65