#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 0.35 0.00 0.55 0.00 -1.26 -4.79 105.19 100.04 1a3p n GLY 5 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 -5.01 135.00 130.32 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 -3.71 2.55 2.88 -1.26 -3.88 113.62 110.20 1a3p n SER 8 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1a3p n SER 8 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 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 -4.98 -0.09 -0.25 -3.46 0.15 -1.26 -5.01 113.70 98.80 1a3p s SER 9 Ca 0.00 0.53 0.10 0.00 0.70 0.00 0.00 55.95 57.28 1a3p s SER 9 Cb 0.00 0.47 0.45 0.00 -1.71 0.00 0.00 66.02 65.23 1a3p s SER 9 CO 0.00 -0.19 1.20 0.00 1.20 0.00 0.00 173.24 175.45 1a3p n TYR 10 N 4.53 1.54 -3.77 3.44 0.18 -1.25 -4.87 117.16 116.96 1a3p n TYR 10 Ca -0.20 -1.88 -0.35 0.00 1.88 0.00 0.00 57.90 57.34 1a3p n TYR 10 Cb 0.52 -0.29 -0.08 0.00 -0.38 0.00 0.00 39.34 39.11 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 -3.41 6.23 -1.88 9.48 1.11 -1.26 -4.30 116.67 122.63 1a3p s ASP 11 Ca 0.44 0.27 -0.24 0.00 0.18 0.00 0.00 52.55 53.21 1a3p s ASP 11 Cb 0.39 -2.08 0.24 0.00 1.07 0.00 0.00 42.92 42.53 1a3p s ASP 11 CO -0.01 0.23 0.59 0.61 1.18 0.00 0.00 175.17 177.76 1a3p n GLY 12 N 3.22 -0.40 0.05 0.21 0.00 -1.26 -4.79 105.19 102.23 1a3p n GLY 12 Ca -0.17 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.07 0.41 -4.28 1.61 4.19 -1.26 -4.92 117.16 108.84 1a3p n TYR 13 Ca 0.11 0.12 -0.18 0.00 3.31 0.00 0.00 57.90 61.26 1a3p n TYR 13 Cb 0.45 -0.55 -0.11 0.00 0.49 0.00 0.00 39.34 39.62 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 0.20 0.92 0.00 0.00 4.32 0.71 -4.97 117.00 118.18 1a3p n LEU 15 Ca -0.13 -0.03 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 1a3p n LEU 15 Cb 0.58 0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 1a3p n LEU 15 CO 0.30 0.53 0.00 0.59 -1.22 0.00 0.00 177.39 177.59 1a3p n ASN 16 N -2.74 0.00 0.22 -1.43 3.02 -1.26 -4.93 115.26 108.15 1a3p n ASN 16 Ca -0.29 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.37 1a3p n ASN 16 Cb 0.97 0.00 0.67 0.00 -0.61 0.00 0.00 39.78 40.81 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 -1.44 7.41 0.00 -1.89 -3.45 103.07 103.70 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 -1.54 0.00 0.00 4.60 0.00 -1.18 -4.69 105.19 102.38 1a3p n GLY 18 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.16 0.00 0.00 1.61 0.31 0.38 -4.77 118.33 115.70 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 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 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 -2.19 5.55 0.00 0.25 0.36 117.12 121.10 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 -0.26 2.29 -0.33 3.17 2.46 -1.26 -1.14 115.29 120.22 1a3p s HIS 22 Ca 0.00 0.59 0.09 0.00 0.47 0.00 0.00 55.06 56.22 1a3p s HIS 22 Cb 0.00 -3.86 0.73 0.00 -0.13 0.00 0.00 32.58 29.33 1a3p s HIS 22 CO 0.00 -2.77 1.81 1.51 -2.47 0.00 0.00 174.74 172.82 1a3p n ILE 23 N 5.94 2.95 -0.22 0.89 0.13 0.58 -4.63 119.36 125.00 1a3p n ILE 23 Ca 0.17 -1.71 0.09 0.00 -1.10 0.00 0.00 62.75 60.20 1a3p n ILE 23 Cb 0.45 -0.37 0.18 0.00 -0.84 0.00 0.00 39.64 39.06 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 -0.29 -0.05 -0.11 9.51 0.00 0.18 0.25 120.64 130.13 1a3p n GLU 24 Ca 0.42 0.96 0.03 0.00 0.00 0.00 0.00 57.16 58.57 1a3p n GLU 24 Cb 1.40 -1.51 0.06 0.00 0.00 0.00 0.00 31.44 31.40 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 -4.85 -0.08 -0.03 4.31 7.64 -1.26 -0.85 113.62 118.51 1a3p n SER 25 Ca 0.15 0.52 -0.03 0.00 1.01 0.00 0.00 58.87 60.52 1a3p n SER 25 Cb 0.48 -0.17 -0.04 0.00 -1.01 0.00 0.00 64.21 63.47 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 -4.37 1.20 0.00 -3.43 -0.00 0.14 -5.05 117.00 105.47 1a3p n LEU 26 Ca 0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.06 1a3p n LEU 26 Cb 0.19 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.59 1a3p n LEU 26 CO -0.03 0.32 0.00 0.47 -0.00 0.00 0.00 177.39 178.15 1a3p n ASP 27 N -2.39 0.00 0.00 1.45 8.00 0.47 -5.15 116.55 118.94 1a3p n ASP 27 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1a3p n ASP 27 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 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 -0.85 0.00 -4.80 -2.24 3.41 -1.22 -4.44 113.62 103.48 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 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 3.48 0.16 7.33 5.04 -1.26 0.22 117.35 134.03 1a3p s TYR 29 Ca 0.00 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 1a3p s TYR 29 Cb 0.00 -1.98 0.00 0.00 0.35 0.00 0.00 41.96 40.33 1a3p s TYR 29 CO 0.00 0.56 0.21 -2.37 -1.34 0.00 0.00 175.55 172.62 1a3p n THR 30 N 2.45 0.00 -4.34 4.34 5.66 -0.29 -4.66 114.28 117.44 1a3p n THR 30 Ca -0.19 -0.90 -0.21 0.00 -3.05 0.00 0.00 64.05 59.70 1a3p n THR 30 Cb 0.54 0.53 -0.11 0.00 -1.55 0.00 0.00 70.33 69.74 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 -2.81 4.92 0.38 0.00 2.47 0.16 -4.75 114.94 115.30 1a3p s ASN 32 Ca 0.17 -0.46 0.06 0.00 0.42 0.00 0.00 52.86 53.05 1a3p s ASN 32 Cb -0.05 -1.86 -0.00 0.00 -1.45 0.00 0.00 41.25 37.89 1a3p s ASN 32 CO 0.07 -0.09 0.54 0.00 -3.72 0.00 0.00 177.10 173.89 1a3p s VAL 34 N -2.30 2.64 0.57 0.00 0.11 -1.22 -4.78 120.40 115.43 1a3p s VAL 34 Ca 0.48 0.24 0.40 0.00 -2.93 0.00 0.00 61.98 60.17 1a3p s VAL 34 Cb -0.10 -2.59 0.59 0.00 -1.53 0.00 0.00 36.38 32.76 1a3p s VAL 34 CO 0.33 -0.24 1.56 -0.29 -3.33 0.00 0.00 175.10 173.13 1a3p h ILE 35 N -1.07 0.10 0.00 7.04 6.09 -1.98 0.56 117.51 128.26 1a3p h ILE 35 Ca -0.45 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 1a3p h ILE 35 Cb 1.26 0.12 0.00 0.00 0.47 0.00 0.00 36.82 38.67 1a3p h ILE 35 CO 0.48 0.00 -1.64 0.61 -3.07 0.00 0.00 178.15 174.53 1a3p n GLY 36 N -1.81 -1.04 3.37 8.18 0.00 -1.16 -4.87 105.19 107.86 1a3p n GLY 36 Ca 0.33 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.37 2.93 0.00 1.61 2.02 0.20 0.20 117.35 120.94 1a3p s TYR 37 Ca -0.03 -0.72 0.00 0.00 -0.37 0.00 0.00 57.07 55.95 1a3p s TYR 37 Cb 0.14 -2.00 0.00 0.00 -0.40 0.00 0.00 41.96 39.70 1a3p s TYR 37 CO 0.89 -0.35 0.00 0.45 -1.57 0.00 0.00 175.55 174.97 1a3p n SER 38 N 4.17 0.00 0.00 2.29 2.88 -0.44 -3.43 113.62 119.08 1a3p n SER 38 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1a3p n SER 38 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 1.57 0.43 1.08 0.46 0.00 -1.26 -0.69 105.19 106.79 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 -4.81 116.55 114.11 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 -2.00 0.00 -2.84 -0.67 0.00 -0.97 -4.04 116.66 106.14 1a3p n ARG 41 Ca 0.00 -0.11 -0.21 0.00 -0.00 0.00 0.00 57.85 57.53 1a3p n ARG 41 Cb 0.00 -0.47 0.02 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 -1.01 0.00 -3.38 0.00 3.07 -1.90 -3.36 115.11 108.52 1a3p h GLN 43 Ca -0.50 0.00 -0.69 0.00 0.09 0.00 0.00 58.65 57.55 1a3p h GLN 43 Cb 1.35 0.00 -0.36 0.00 0.08 0.00 0.00 27.48 28.55 1a3p h GLN 43 CO 0.55 0.24 -0.24 -0.08 0.09 0.00 0.00 178.83 179.38 1a3p s THR 44 N -3.03 3.97 -0.98 1.86 -1.32 -1.26 -4.95 115.64 109.93 1a3p s THR 44 Ca -0.01 -3.60 -0.24 0.00 -1.21 0.00 0.00 61.69 56.63 1a3p s THR 44 Cb 0.09 -3.51 0.05 0.00 -1.51 0.00 0.00 72.50 67.61 1a3p s THR 44 CO 0.80 -1.00 1.43 -0.13 -2.21 0.00 0.00 174.62 173.50 1a3p s ARG 45 N -0.91 3.52 -1.38 7.08 0.52 -1.26 -1.33 118.95 125.18 1a3p s ARG 45 Ca 0.23 -0.98 -0.09 0.00 -0.52 0.00 0.00 55.73 54.38 1a3p s ARG 45 Cb -0.12 -5.18 0.09 0.00 0.52 0.00 0.00 34.95 30.26 1a3p s ARG 45 CO -0.10 -2.22 2.28 -3.47 0.02 0.00 0.00 175.30 171.82 1a3p n ASP 46 N 9.04 6.53 0.00 0.23 2.03 0.52 -4.83 116.55 130.07 1a3p n ASP 46 Ca 0.29 -2.99 0.00 0.00 0.52 0.00 0.00 54.79 52.60 1a3p n ASP 46 Cb 0.51 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 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 3.40 0.00 0.00 -2.67 4.32 -1.24 -4.56 117.00 116.26 1a3p n LEU 47 Ca 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.55 1a3p n LEU 47 Cb 0.30 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 1a3p n LEU 47 CO 0.79 0.00 0.09 0.54 -1.22 0.00 0.00 177.39 177.59