#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 3.82 0.00 0.55 0.00 -1.26 -4.61 105.19 103.69 1a3p n GLY 5 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.22 0.00 -0.02 1.61 -0.04 -1.26 -5.00 135.00 130.07 1a3p n PRO 7 Ca -0.00 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 1a3p n PRO 7 Cb 0.16 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.46 1a3p n PRO 7 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1a3p n SER 8 N 0.00 0.12 -3.66 3.54 2.88 -1.26 -4.93 113.62 110.30 1a3p n SER 8 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1a3p n SER 8 Cb 0.00 1.88 -0.08 0.00 -0.75 0.00 0.00 64.21 65.26 1a3p n SER 8 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1a3p s SER 9 N -4.56 -0.78 0.00 -3.46 0.15 -1.26 -5.04 113.70 98.75 1a3p s SER 9 Ca -0.08 1.29 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1a3p s SER 9 Cb 0.13 1.17 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 1a3p s SER 9 CO 0.88 -0.22 0.56 0.00 1.20 0.00 0.00 173.24 175.66 1a3p n TYR 10 N 4.21 0.00 -1.68 3.44 0.18 -1.26 -4.93 117.16 117.12 1a3p n TYR 10 Ca -0.21 -0.11 -0.44 0.00 1.88 0.00 0.00 57.90 59.02 1a3p n TYR 10 Cb 0.58 -0.01 -0.04 0.00 -0.38 0.00 0.00 39.34 39.49 1a3p n TYR 10 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 1a3p n ASP 11 N -0.11 3.87 -3.07 9.48 5.75 -1.26 -0.77 116.55 130.43 1a3p n ASP 11 Ca 0.00 0.96 -0.22 0.00 -0.01 0.00 0.00 54.79 55.52 1a3p n ASP 11 Cb 0.11 -1.49 0.05 0.00 -1.03 0.00 0.00 41.12 38.76 1a3p n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a3p n GLY 12 N 4.32 -0.46 0.08 6.12 0.00 -1.26 -4.90 105.19 109.09 1a3p n GLY 12 Ca 0.20 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.46 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 -4.62 0.65 -4.28 1.61 4.19 0.05 -4.90 117.16 109.86 1a3p n TYR 13 Ca -0.07 0.19 -0.28 0.00 3.31 0.00 0.00 57.90 61.05 1a3p n TYR 13 Cb 0.59 -0.74 -0.10 0.00 0.49 0.00 0.00 39.34 39.58 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 0.50 1.20 0.00 0.00 7.94 0.56 -4.99 117.00 122.20 1a3p n LEU 15 Ca -0.13 -0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 1a3p n LEU 15 Cb 0.54 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.45 1a3p n LEU 15 CO 0.32 0.48 0.00 0.59 -1.11 0.00 0.00 177.39 177.67 1a3p n ASN 16 N -2.64 0.00 -0.78 1.96 3.02 -1.25 -4.94 115.26 110.63 1a3p n ASN 16 Ca -0.22 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.42 1a3p n ASN 16 Cb 0.85 0.00 0.28 0.00 -0.61 0.00 0.00 39.78 40.30 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 0.62 0.87 3.53 7.41 0.00 -1.26 -4.88 105.19 111.47 1a3p n GLY 17 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 1a3p n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a3p n GLY 18 N 1.24 -0.19 0.00 -0.02 0.00 -1.26 -3.84 105.19 101.12 1a3p n GLY 18 Ca 0.17 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1a3p n GLY 18 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a3p n VAL 19 N 7.61 0.00 0.00 1.61 0.31 -0.95 -4.67 118.33 122.24 1a3p n VAL 19 Ca 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.85 1a3p n VAL 19 Cb 0.31 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 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 -4.28 5.55 0.00 -0.22 0.39 117.12 118.56 1a3p n MET 21 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.36 1a3p n MET 21 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.09 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 -2.00 2.98 -0.99 3.17 2.46 -1.26 -1.71 115.29 117.94 1a3p s HIS 22 Ca 0.00 -0.52 0.17 0.00 0.47 0.00 0.00 55.06 55.17 1a3p s HIS 22 Cb 0.00 -2.00 0.59 0.00 -0.13 0.00 0.00 32.58 31.04 1a3p s HIS 22 CO 0.00 -0.22 1.51 1.51 -2.47 0.00 0.00 174.74 175.07 1a3p n ILE 23 N 3.97 1.66 -0.06 0.89 0.13 0.50 -4.76 119.36 121.70 1a3p n ILE 23 Ca -0.18 -1.25 -0.01 0.00 -1.10 0.00 0.00 62.75 60.21 1a3p n ILE 23 Cb 0.52 0.18 -0.00 0.00 -0.84 0.00 0.00 39.64 39.49 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 0.76 -0.05 -0.14 9.51 0.00 0.25 -0.04 120.64 130.94 1a3p n GLU 24 Ca 0.22 0.23 0.08 0.00 0.00 0.00 0.00 57.16 57.70 1a3p n GLU 24 Cb 0.77 -0.34 0.16 0.00 0.00 0.00 0.00 31.44 32.03 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 -4.21 0.02 -0.05 4.31 7.64 -1.26 -0.53 113.62 119.54 1a3p n SER 25 Ca 0.01 0.68 -0.07 0.00 1.01 0.00 0.00 58.87 60.50 1a3p n SER 25 Cb 0.05 -0.28 -0.06 0.00 -1.01 0.00 0.00 64.21 62.92 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 -4.22 2.10 0.00 -3.43 -0.00 0.94 -5.05 117.00 107.33 1a3p n LEU 26 Ca 0.12 -0.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1a3p n LEU 26 Cb 0.38 -0.22 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 1a3p n LEU 26 CO -0.02 0.56 0.00 0.47 -0.00 0.00 0.00 177.39 178.40 1a3p n ASP 27 N -2.69 0.00 0.00 1.45 8.00 0.31 -5.15 116.55 118.47 1a3p n ASP 27 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1a3p n ASP 27 Cb 0.74 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 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 -0.74 3.61 -4.86 -2.24 3.41 -1.25 -4.47 113.62 107.09 1a3p n SER 28 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 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 0.50 3.55 0.25 7.33 5.04 -1.26 0.19 117.35 132.96 1a3p s TYR 29 Ca 0.00 0.87 -0.08 0.00 -2.44 0.00 0.00 57.07 55.42 1a3p s TYR 29 Cb 0.00 -2.23 0.03 0.00 0.35 0.00 0.00 41.96 40.11 1a3p s TYR 29 CO 0.00 0.43 0.49 -2.37 -1.34 0.00 0.00 175.55 172.76 1a3p n THR 30 N 0.61 0.00 -4.39 4.34 5.66 -0.69 -4.67 114.28 115.14 1a3p n THR 30 Ca -0.05 -0.72 -0.26 0.00 -3.05 0.00 0.00 64.05 59.97 1a3p n THR 30 Cb 0.52 0.66 -0.12 0.00 -1.55 0.00 0.00 70.33 69.84 1a3p n THR 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a3p s ASN 32 N -2.51 6.18 1.12 0.00 2.47 0.16 -4.69 114.94 117.67 1a3p s ASN 32 Ca 0.18 -3.22 -0.12 0.00 0.42 0.00 0.00 52.86 50.12 1a3p s ASN 32 Cb -0.08 -2.01 0.26 0.00 -1.45 0.00 0.00 41.25 37.96 1a3p s ASN 32 CO 0.08 -0.34 1.05 0.00 -3.72 0.00 0.00 177.10 174.17 1a3p s VAL 34 N -2.49 3.36 0.64 0.00 0.11 -1.24 -4.81 120.40 115.97 1a3p s VAL 34 Ca 0.68 0.44 0.27 0.00 -2.93 0.00 0.00 61.98 60.44 1a3p s VAL 34 Cb -0.25 -3.03 0.30 0.00 -1.53 0.00 0.00 36.38 31.87 1a3p s VAL 34 CO 0.63 -0.58 1.82 -0.29 -3.33 0.00 0.00 175.10 173.36 1a3p h ILE 35 N -1.09 0.10 0.00 7.04 2.10 -1.96 0.44 117.51 124.13 1a3p h ILE 35 Ca -0.45 0.00 -0.23 0.00 1.08 0.00 0.00 64.86 65.25 1a3p h ILE 35 Cb 1.24 0.58 -0.04 0.00 -1.09 0.00 0.00 36.82 37.51 1a3p h ILE 35 CO 0.55 0.00 -1.71 0.61 -1.08 0.00 0.00 178.15 176.52 1a3p n GLY 36 N -1.33 -1.09 3.59 8.18 0.00 -1.26 -4.90 105.19 108.39 1a3p n GLY 36 Ca 0.01 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.78 2.92 0.00 1.61 2.02 0.15 0.24 117.35 121.51 1a3p s TYR 37 Ca -0.05 -0.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.64 1a3p s TYR 37 Cb 0.08 -1.66 0.00 0.00 -0.40 0.00 0.00 41.96 39.99 1a3p s TYR 37 CO 0.82 0.36 0.00 0.43 -1.57 0.00 0.00 175.55 175.59 1a3p n SER 38 N 1.84 0.49 0.00 2.29 7.64 0.57 -3.69 113.62 122.75 1a3p n SER 38 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1a3p n SER 38 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.00 2.07 0.00 0.23 0.00 -1.26 -0.94 105.19 105.28 1a3p n GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 0.00 1.61 2.03 -1.26 -4.86 116.55 114.07 1a3p n ASP 40 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1a3p n ASP 40 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -1.31 0.95 -2.52 -0.67 0.00 -1.12 -3.82 116.66 108.17 1a3p n ARG 41 Ca 0.00 -0.04 -0.12 0.00 -0.00 0.00 0.00 57.85 57.69 1a3p n ARG 41 Cb 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 32.46 32.19 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 -0.52 0.00 -4.88 0.00 3.07 -1.93 -3.35 115.11 107.51 1a3p h GLN 43 Ca -0.28 0.00 -0.67 0.00 0.09 0.00 0.00 58.65 57.79 1a3p h GLN 43 Cb 1.20 0.00 -0.32 0.00 0.08 0.00 0.00 27.48 28.44 1a3p h GLN 43 CO 0.31 0.07 -0.73 -0.08 0.09 0.00 0.00 178.83 178.48 1a3p s THR 44 N -3.25 2.93 -0.49 1.86 -1.32 -1.25 -5.02 115.64 109.09 1a3p s THR 44 Ca 0.00 -1.08 -0.11 0.00 -1.21 0.00 0.00 61.69 59.30 1a3p s THR 44 Cb 0.09 -2.53 0.12 0.00 -1.51 0.00 0.00 72.50 68.67 1a3p s THR 44 CO 0.77 0.14 0.39 -0.13 -2.21 0.00 0.00 174.62 173.58 1a3p s ARG 45 N 1.32 2.61 -1.35 7.08 0.52 -1.26 -0.32 118.95 127.54 1a3p s ARG 45 Ca -0.01 -1.77 -0.11 0.00 -0.52 0.00 0.00 55.73 53.32 1a3p s ARG 45 Cb -0.17 -4.02 0.12 0.00 0.52 0.00 0.00 34.95 31.40 1a3p s ARG 45 CO -0.04 -1.23 2.01 -3.47 0.02 0.00 0.00 175.30 172.60 1a3p n ASP 46 N 4.96 4.60 -3.86 0.23 2.03 0.64 -4.86 116.55 120.30 1a3p n ASP 46 Ca -0.09 -3.00 -0.14 0.00 0.52 0.00 0.00 54.79 52.08 1a3p n ASP 46 Cb 0.41 -1.56 -0.04 0.00 -0.72 0.00 0.00 41.12 39.21 1a3p n ASP 46 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1a3p n LEU 47 N 4.84 -0.37 -0.00 -2.67 4.77 -1.25 -4.50 117.00 117.82 1a3p n LEU 47 Ca 0.45 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 1a3p n LEU 47 Cb 0.38 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1a3p n LEU 47 CO 0.85 -1.41 0.25 0.54 -1.33 0.00 0.00 177.39 176.29