#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 1.08 0.00 0.55 0.00 -1.26 -4.40 105.19 101.15 1a3p n GLY 5 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.03 1.61 -0.04 -1.26 -5.02 135.00 130.26 1a3p n PRO 7 Ca 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 1a3p n PRO 7 Cb 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.29 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 0.05 -3.66 3.54 2.88 -1.26 -4.91 113.62 110.26 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 1.78 -0.10 0.00 -0.75 0.00 0.00 64.21 65.14 1a3p n SER 8 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1a3p s SER 9 N -4.70 -0.24 0.00 -3.46 1.04 -1.26 -5.03 113.70 100.05 1a3p s SER 9 Ca -0.08 0.94 0.04 0.00 0.48 0.00 0.00 55.95 57.33 1a3p s SER 9 Cb 0.12 1.21 -0.00 0.00 0.10 0.00 0.00 66.02 67.44 1a3p s SER 9 CO 0.88 -0.23 0.41 0.00 0.98 0.00 0.00 173.24 175.29 1a3p n TYR 10 N 5.22 0.00 -1.63 5.02 0.18 -1.26 -4.92 117.16 119.77 1a3p n TYR 10 Ca -0.11 0.00 -0.45 0.00 1.88 0.00 0.00 57.90 59.22 1a3p n TYR 10 Cb 0.50 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.42 1a3p n TYR 10 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1a3p n ASP 11 N -0.42 3.48 -0.28 9.48 9.92 -1.26 -0.27 116.55 137.20 1a3p n ASP 11 Ca 0.02 0.69 -0.03 0.00 -0.53 0.00 0.00 54.79 54.94 1a3p n ASP 11 Cb 0.09 -1.46 -0.00 0.00 -0.64 0.00 0.00 41.12 39.11 1a3p n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a3p n GLY 12 N 5.04 0.37 0.02 0.44 0.00 -1.26 -4.92 105.19 104.89 1a3p n GLY 12 Ca 0.26 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.65 0.21 -4.73 1.61 4.19 0.63 -4.86 117.16 110.56 1a3p n TYR 13 Ca -0.03 0.06 -0.24 0.00 3.31 0.00 0.00 57.90 61.00 1a3p n TYR 13 Cb 0.38 -0.39 -0.15 0.00 0.49 0.00 0.00 39.34 39.68 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 2.33 1.90 0.03 0.00 7.94 0.33 -4.96 117.00 124.58 1a3p n LEU 15 Ca -0.16 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 1a3p n LEU 15 Cb 0.54 -0.73 0.00 0.00 0.53 0.00 0.00 43.42 43.76 1a3p n LEU 15 CO 0.24 -0.25 -0.10 0.59 -1.11 0.00 0.00 177.39 176.75 1a3p n ASN 16 N -4.41 0.04 -0.86 1.96 3.02 -1.26 -4.90 115.26 108.85 1a3p n ASN 16 Ca -0.15 0.11 0.11 0.00 -0.03 0.00 0.00 54.58 54.62 1a3p n ASN 16 Cb 0.51 0.06 0.08 0.00 -0.61 0.00 0.00 39.78 39.83 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 1.93 0.78 3.53 7.41 0.00 -1.26 -4.92 105.19 112.67 1a3p n GLY 17 Ca 0.00 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.19 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 1.30 -0.28 0.00 -0.02 0.00 -1.26 -3.88 105.19 101.05 1a3p n GLY 18 Ca 0.13 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 7.47 0.00 0.00 1.61 0.31 -1.05 -4.77 118.33 121.90 1a3p n VAL 19 Ca 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.88 1a3p n VAL 19 Cb 0.31 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 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 -0.78 -0.01 -4.56 5.55 0.00 0.29 -0.34 117.12 117.26 1a3p n MET 21 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.37 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 2.94 -0.69 3.17 2.46 -1.26 -0.95 115.29 118.96 1a3p s HIS 22 Ca 0.00 -0.40 0.16 0.00 0.47 0.00 0.00 55.06 55.29 1a3p s HIS 22 Cb 0.00 -1.89 0.64 0.00 -0.13 0.00 0.00 32.58 31.19 1a3p s HIS 22 CO 0.00 -0.07 1.55 1.51 -2.47 0.00 0.00 174.74 175.26 1a3p n ILE 23 N 3.42 2.02 -0.17 0.89 0.13 0.50 -4.73 119.36 121.43 1a3p n ILE 23 Ca -0.18 -1.39 0.02 0.00 -1.10 0.00 0.00 62.75 60.10 1a3p n ILE 23 Cb 0.53 0.00 0.05 0.00 -0.84 0.00 0.00 39.64 39.38 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 0.52 -0.06 -0.19 9.51 0.00 0.25 0.15 120.64 130.83 1a3p n GLU 24 Ca 0.23 0.71 0.13 0.00 0.00 0.00 0.00 57.16 58.23 1a3p n GLU 24 Cb 0.89 -1.06 0.25 0.00 0.00 0.00 0.00 31.44 31.51 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 -4.73 0.06 -0.05 4.31 7.64 -1.26 -0.83 113.62 118.75 1a3p n SER 25 Ca 0.07 0.95 -0.06 0.00 1.01 0.00 0.00 58.87 60.84 1a3p n SER 25 Cb 0.22 -0.40 -0.06 0.00 -1.01 0.00 0.00 64.21 62.96 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 -4.50 1.80 0.00 -3.43 -0.00 0.12 -5.06 117.00 105.94 1a3p n LEU 26 Ca 0.17 -0.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 1a3p n LEU 26 Cb 0.58 -0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1a3p n LEU 26 CO -0.02 0.50 0.00 0.47 -0.00 0.00 0.00 177.39 178.34 1a3p n ASP 27 N -2.62 0.00 0.00 1.45 8.00 0.13 -5.15 116.55 118.36 1a3p n ASP 27 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1a3p n ASP 27 Cb 0.73 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 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 -0.65 1.35 -4.87 -2.24 3.41 -1.25 -4.43 113.62 104.95 1a3p n SER 28 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 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 1.72 3.45 0.15 7.33 6.14 -1.26 0.19 117.35 135.07 1a3p s TYR 29 Ca 0.00 0.26 -0.06 0.00 0.64 0.00 0.00 57.07 57.91 1a3p s TYR 29 Cb 0.00 -1.76 0.02 0.00 0.42 0.00 0.00 41.96 40.64 1a3p s TYR 29 CO 0.00 0.60 0.30 -2.37 0.64 0.00 0.00 175.55 174.71 1a3p n THR 30 N 0.69 0.00 -4.36 4.34 5.66 -0.13 -4.74 114.28 115.74 1a3p n THR 30 Ca -0.09 -0.37 -0.22 0.00 -3.05 0.00 0.00 64.05 60.32 1a3p n THR 30 Cb 0.52 0.37 -0.16 0.00 -1.55 0.00 0.00 70.33 69.51 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 0.77 6.68 1.15 0.00 3.84 0.54 -4.43 114.94 123.49 1a3p s ASN 32 Ca -0.13 -2.24 -0.17 0.00 0.21 0.00 0.00 52.86 50.53 1a3p s ASN 32 Cb -0.15 -2.35 0.24 0.00 -0.55 0.00 0.00 41.25 38.44 1a3p s ASN 32 CO 0.02 -0.93 0.99 0.00 -2.79 0.00 0.00 177.10 174.39 1a3p s VAL 34 N -2.91 3.29 0.04 0.00 0.11 -1.14 -4.89 120.40 114.90 1a3p s VAL 34 Ca 0.62 -0.35 0.21 0.00 -2.93 0.00 0.00 61.98 59.53 1a3p s VAL 34 Cb -0.05 -3.28 0.21 0.00 -1.53 0.00 0.00 36.38 31.74 1a3p s VAL 34 CO 0.46 -0.24 1.61 -0.29 -3.33 0.00 0.00 175.10 173.31 1a3p h ILE 35 N -0.02 0.00 0.00 7.04 2.10 -1.96 0.32 117.51 124.99 1a3p h ILE 35 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.49 1a3p h ILE 35 Cb 1.27 0.47 0.00 0.00 -1.09 0.00 0.00 36.82 37.47 1a3p h ILE 35 CO 0.58 0.00 -1.16 0.61 -1.08 0.00 0.00 178.15 177.10 1a3p n GLY 36 N -1.26 -1.05 2.88 8.18 0.00 -1.26 -4.27 105.19 108.41 1a3p n GLY 36 Ca -0.01 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.13 0.63 0.00 1.61 2.02 0.11 0.30 117.35 118.89 1a3p s TYR 37 Ca 0.04 -0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.60 1a3p s TYR 37 Cb 0.15 -0.58 0.00 0.00 -0.40 0.00 0.00 41.96 41.14 1a3p s TYR 37 CO 0.85 -0.16 0.00 0.45 -1.57 0.00 0.00 175.55 175.12 1a3p n SER 38 N 3.97 1.09 -3.54 2.29 2.88 -0.04 -2.86 113.62 117.42 1a3p n SER 38 Ca -0.25 -0.12 -0.23 0.00 -1.33 0.00 0.00 58.87 56.94 1a3p n SER 38 Cb 0.51 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.00 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 2.74 -1.11 3.37 0.46 0.00 -1.26 -1.93 105.19 107.45 1a3p n GLY 39 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1a3p n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a3p n ASP 40 N -2.54 0.00 -0.03 1.61 9.92 -1.26 -3.90 116.55 120.36 1a3p n ASP 40 Ca -0.11 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.13 1a3p n ASP 40 Cb 0.59 -0.21 -0.05 0.00 -0.64 0.00 0.00 41.12 40.81 1a3p n ASP 40 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1a3p n ARG 41 N -0.30 2.48 -2.07 -1.24 0.00 -1.25 -3.62 116.66 110.65 1a3p n ARG 41 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1a3p n ARG 41 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 32.46 31.30 1a3p n ARG 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1a3p n GLN 43 N -0.62 0.21 -3.96 0.00 -0.00 -1.19 -4.31 117.38 107.51 1a3p n GLN 43 Ca 0.00 -0.11 -0.30 0.00 -0.00 0.00 0.00 57.00 56.58 1a3p n GLN 43 Cb 0.45 -1.50 -0.14 0.00 -0.00 0.00 0.00 30.24 29.05 1a3p n GLN 43 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1a3p s THR 44 N -2.87 2.36 -1.08 -0.39 -1.32 -1.26 -4.98 115.64 106.10 1a3p s THR 44 Ca 0.15 -2.86 -0.20 0.00 -1.21 0.00 0.00 61.69 57.58 1a3p s THR 44 Cb 0.18 -2.68 0.09 0.00 -1.51 0.00 0.00 72.50 68.58 1a3p s THR 44 CO 0.63 -0.72 1.43 -0.13 -2.21 0.00 0.00 174.62 173.62 1a3p s ARG 45 N 0.25 3.75 0.20 7.08 0.52 -1.26 -0.86 118.95 128.62 1a3p s ARG 45 Ca 0.15 -1.67 0.13 0.00 -0.52 0.00 0.00 55.73 53.81 1a3p s ARG 45 Cb -0.23 -5.24 0.72 0.00 0.52 0.00 0.00 34.95 30.72 1a3p s ARG 45 CO -0.04 -2.05 1.40 -3.47 0.02 0.00 0.00 175.30 171.17 1a3p n ASP 46 N 7.74 0.34 -0.46 0.23 2.03 0.88 -4.81 116.55 122.51 1a3p n ASP 46 Ca 0.35 0.66 -0.06 0.00 0.52 0.00 0.00 54.79 56.26 1a3p n ASP 46 Cb 0.48 -0.70 -0.02 0.00 -0.72 0.00 0.00 41.12 40.15 1a3p n ASP 46 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1a3p n LEU 47 N -1.96 0.23 -0.67 -2.67 0.00 0.22 -4.96 117.00 107.18 1a3p n LEU 47 Ca -0.01 0.14 0.08 0.00 0.00 0.00 0.00 56.01 56.22 1a3p n LEU 47 Cb 0.02 -2.39 0.07 0.00 0.00 0.00 0.00 43.42 41.12 1a3p n LEU 47 CO 0.06 -0.92 0.52 -2.11 0.00 0.00 0.00 177.39 174.93