#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 0.55 0.00 0.55 0.00 -1.26 -4.74 105.19 100.28 1a3p n GLY 5 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1a3p n GLY 5 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a3p n PRO 7 N 0.00 0.00 -0.00 1.61 -0.02 -1.26 -5.02 135.00 130.31 1a3p n PRO 7 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1a3p n PRO 7 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1a3p n PRO 7 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1a3p n SER 8 N 0.00 -0.00 -3.58 2.55 2.88 -1.26 -4.28 113.62 109.93 1a3p n SER 8 Ca 0.00 0.01 -0.14 0.00 -1.33 0.00 0.00 58.87 57.41 1a3p n SER 8 Cb 0.00 -0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.40 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 -5.00 -0.44 -0.01 -3.46 0.15 -1.26 -5.05 113.70 98.64 1a3p s SER 9 Ca -0.00 0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.83 1a3p s SER 9 Cb 0.00 0.49 0.02 0.00 -1.71 0.00 0.00 66.02 64.82 1a3p s SER 9 CO 0.01 -0.72 0.89 0.00 1.20 0.00 0.00 173.24 174.61 1a3p n TYR 10 N 0.40 0.00 -1.90 3.44 0.18 -1.26 -4.95 117.16 113.07 1a3p n TYR 10 Ca -0.18 -0.40 -0.41 0.00 1.88 0.00 0.00 57.90 58.79 1a3p n TYR 10 Cb 0.60 -0.04 -0.02 0.00 -0.38 0.00 0.00 39.34 39.50 1a3p n TYR 10 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1a3p s ASP 11 N -0.86 6.51 -1.61 9.48 -1.08 -1.26 -2.35 116.67 125.50 1a3p s ASP 11 Ca 0.02 2.81 -0.18 0.00 -0.52 0.00 0.00 52.55 54.68 1a3p s ASP 11 Cb 0.02 -2.63 0.18 0.00 -1.46 0.00 0.00 42.92 39.02 1a3p s ASP 11 CO 0.00 -0.80 0.44 0.61 0.52 0.00 0.00 175.17 175.94 1a3p n GLY 12 N 2.12 -0.31 0.07 2.66 0.00 -1.26 -4.78 105.19 103.69 1a3p n GLY 12 Ca 0.07 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.70 0.62 -4.35 1.61 4.19 -0.99 -4.89 117.16 109.64 1a3p n TYR 13 Ca 0.04 0.18 -0.27 0.00 3.31 0.00 0.00 57.90 61.16 1a3p n TYR 13 Cb 0.43 -0.72 -0.10 0.00 0.49 0.00 0.00 39.34 39.44 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 0.17 1.93 0.00 0.00 7.94 0.69 -4.97 117.00 122.76 1a3p n LEU 15 Ca -0.12 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 1a3p n LEU 15 Cb 0.56 -0.24 0.00 0.00 0.53 0.00 0.00 43.42 44.26 1a3p n LEU 15 CO 0.32 0.60 0.00 0.59 -1.11 0.00 0.00 177.39 177.79 1a3p n ASN 16 N -2.77 0.00 0.30 1.96 3.02 -1.25 -4.92 115.26 111.60 1a3p n ASN 16 Ca -0.25 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.49 1a3p n ASN 16 Cb 0.83 0.00 0.95 0.00 -0.61 0.00 0.00 39.78 40.95 1a3p n ASN 16 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1a3p h GLY 17 N 0.00 0.00 -0.83 7.41 0.00 -1.88 -3.46 103.07 104.32 1a3p h GLY 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a3p h GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1a3p n GLY 18 N -0.71 0.00 0.00 4.60 0.00 -1.26 -4.69 105.19 103.14 1a3p n GLY 18 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.09 0.00 0.00 1.61 0.31 -1.07 -4.80 118.33 114.29 1a3p n VAL 19 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1a3p n VAL 19 Cb 0.00 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 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 -3.84 5.55 0.00 0.73 0.01 117.12 119.57 1a3p n MET 21 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.35 1a3p n MET 21 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.12 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 3.25 -0.33 3.17 2.46 -1.26 -1.02 115.29 119.56 1a3p s HIS 22 Ca 0.00 0.06 0.16 0.00 0.47 0.00 0.00 55.06 55.74 1a3p s HIS 22 Cb 0.00 -2.17 0.63 0.00 -0.13 0.00 0.00 32.58 30.91 1a3p s HIS 22 CO 0.00 0.05 1.54 1.51 -2.47 0.00 0.00 174.74 175.37 1a3p n ILE 23 N 4.01 2.33 -0.14 0.89 0.13 0.51 -4.73 119.36 122.36 1a3p n ILE 23 Ca -0.16 -1.62 0.00 0.00 -1.10 0.00 0.00 62.75 59.88 1a3p n ILE 23 Cb 0.52 -0.18 0.03 0.00 -0.84 0.00 0.00 39.64 39.16 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 0.06 -0.07 -0.09 9.51 0.00 0.22 0.13 120.64 130.40 1a3p n GLU 24 Ca 0.23 0.58 0.04 0.00 0.00 0.00 0.00 57.16 58.00 1a3p n GLU 24 Cb 0.97 -0.86 0.07 0.00 0.00 0.00 0.00 31.44 31.62 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 -4.57 -0.04 -0.04 4.31 7.64 -1.26 -0.28 113.62 119.38 1a3p n SER 25 Ca 0.04 0.43 -0.05 0.00 1.01 0.00 0.00 58.87 60.30 1a3p n SER 25 Cb 0.16 -0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.16 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 -4.16 1.65 0.00 -3.43 -0.00 0.12 -5.05 117.00 106.13 1a3p n LEU 26 Ca 0.06 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1a3p n LEU 26 Cb 0.19 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 1a3p n LEU 26 CO -0.02 0.44 0.00 0.47 -0.00 0.00 0.00 177.39 178.28 1a3p n ASP 27 N -2.55 0.00 0.00 1.45 8.00 0.62 -5.15 116.55 118.91 1a3p n ASP 27 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1a3p n ASP 27 Cb 0.70 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 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 -0.84 0.77 -4.87 -2.24 3.41 -1.23 -4.45 113.62 104.17 1a3p n SER 28 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1a3p n SER 28 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 1.18 3.62 0.26 7.33 5.04 -1.26 0.19 117.35 133.71 1a3p s TYR 29 Ca 0.00 0.65 -0.05 0.00 -2.44 0.00 0.00 57.07 55.23 1a3p s TYR 29 Cb 0.00 -2.03 0.02 0.00 0.35 0.00 0.00 41.96 40.30 1a3p s TYR 29 CO 0.00 0.68 0.42 -2.37 -1.34 0.00 0.00 175.55 172.94 1a3p n THR 30 N 1.66 0.00 -4.47 4.34 5.66 -0.19 -4.73 114.28 116.55 1a3p n THR 30 Ca -0.16 -1.01 -0.29 0.00 -3.05 0.00 0.00 64.05 59.54 1a3p n THR 30 Cb 0.54 0.73 -0.13 0.00 -1.55 0.00 0.00 70.33 69.91 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 -1.89 6.07 0.43 0.00 2.47 0.10 -4.69 114.94 117.43 1a3p s ASN 32 Ca 0.13 -1.73 -0.08 0.00 0.42 0.00 0.00 52.86 51.59 1a3p s ASN 32 Cb -0.10 -2.16 -0.05 0.00 -1.45 0.00 0.00 41.25 37.49 1a3p s ASN 32 CO 0.05 -0.78 0.77 0.00 -3.72 0.00 0.00 177.10 173.42 1a3p n VAL 34 N -1.63 0.00 0.24 0.00 3.14 -1.21 -4.78 118.33 114.09 1a3p n VAL 34 Ca 0.02 -0.02 0.15 0.00 -2.96 0.00 0.00 64.34 61.53 1a3p n VAL 34 Cb 0.54 -1.00 0.67 0.00 -1.06 0.00 0.00 33.84 33.00 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 -1.94 0.10 -0.01 1.55 2.10 -1.96 0.27 117.51 117.63 1a3p h ILE 35 Ca -0.44 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.50 1a3p h ILE 35 Cb 1.27 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 37.54 1a3p h ILE 35 CO 0.41 0.00 -0.67 0.61 -1.08 0.00 0.00 178.15 177.42 1a3p n GLY 36 N -1.36 -0.39 2.84 8.18 0.00 -1.26 -4.86 105.19 108.35 1a3p n GLY 36 Ca 0.02 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.68 1.06 0.00 1.61 2.02 0.96 0.28 117.35 120.60 1a3p s TYR 37 Ca 0.15 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 1a3p s TYR 37 Cb 0.17 -1.00 0.00 0.00 -0.40 0.00 0.00 41.96 40.74 1a3p s TYR 37 CO 0.69 -0.40 0.00 0.45 -1.57 0.00 0.00 175.55 174.71 1a3p n SER 38 N 4.96 0.00 0.00 2.29 2.88 0.14 -3.34 113.62 120.55 1a3p n SER 38 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1a3p n SER 38 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1a3p n SER 38 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a3p n GLY 39 N 2.07 2.23 0.00 0.46 0.00 -1.26 -1.05 105.19 107.64 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 -4.85 116.55 114.08 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 -1.49 0.09 -2.33 -0.67 0.00 -1.17 -3.75 116.66 107.32 1a3p n ARG 41 Ca 0.00 -0.04 -0.11 0.00 -0.00 0.00 0.00 57.85 57.69 1a3p n ARG 41 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 32.46 32.02 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 -0.20 0.00 -3.36 0.00 3.07 -1.89 -3.36 115.11 109.38 1a3p h GLN 43 Ca -0.27 0.00 -0.64 0.00 0.09 0.00 0.00 58.65 57.83 1a3p h GLN 43 Cb 1.20 0.00 -0.41 0.00 0.08 0.00 0.00 27.48 28.35 1a3p h GLN 43 CO 0.31 0.00 -0.60 -0.08 0.09 0.00 0.00 178.83 178.55 1a3p s THR 44 N -3.21 2.71 -0.88 1.86 -1.32 -1.25 -5.00 115.64 108.55 1a3p s THR 44 Ca 0.05 -3.42 -0.23 0.00 -1.21 0.00 0.00 61.69 56.88 1a3p s THR 44 Cb 0.12 -2.86 0.07 0.00 -1.51 0.00 0.00 72.50 68.32 1a3p s THR 44 CO 0.74 -0.83 1.27 -0.13 -2.21 0.00 0.00 174.62 173.45 1a3p s ARG 45 N -0.43 3.43 0.59 7.08 0.52 -1.26 -0.68 118.95 128.20 1a3p s ARG 45 Ca 0.18 -1.03 0.33 0.00 -0.52 0.00 0.00 55.73 54.68 1a3p s ARG 45 Cb -0.23 -4.83 1.83 0.00 0.52 0.00 0.00 34.95 32.23 1a3p s ARG 45 CO -0.02 -2.04 2.21 0.22 0.02 0.00 0.00 175.30 175.69 1a3p h ASP 46 N 9.60 0.00 0.00 0.23 3.58 0.37 -3.47 116.42 126.73 1a3p h ASP 46 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1a3p h ASP 46 Cb 1.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1a3p h ASP 46 CO 1.29 0.04 0.00 -0.11 -2.88 0.00 0.00 179.24 177.57 1a3p n LEU 47 N -3.57 0.00 0.00 2.28 0.00 0.18 -5.00 117.00 110.89 1a3p n LEU 47 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.99 1a3p n LEU 47 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.56 1a3p n LEU 47 CO 0.27 0.00 0.00 0.54 0.00 0.00 0.00 177.39 178.20