#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 0.14 0.00 0.55 0.00 -1.26 -4.97 105.19 99.65 1a3p n GLY 5 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.02 1.61 -0.05 -1.26 -5.02 135.00 130.25 1a3p n PRO 7 Ca 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 63.50 63.47 1a3p n PRO 7 Cb 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 33.50 33.48 1a3p n PRO 7 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 1a3p n SER 8 N 0.00 0.02 -3.66 3.54 7.64 -1.26 -3.88 113.62 116.02 1a3p n SER 8 Ca 0.00 0.11 -0.15 0.00 1.01 0.00 0.00 58.87 59.83 1a3p n SER 8 Cb 0.00 -0.05 -0.14 0.00 -1.01 0.00 0.00 64.21 63.01 1a3p n SER 8 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1a3p s SER 9 N -4.98 0.57 -0.09 6.43 0.01 -1.26 -5.00 113.70 109.38 1a3p s SER 9 Ca -0.01 0.45 0.13 0.00 1.31 0.00 0.00 55.95 57.83 1a3p s SER 9 Cb 0.02 0.48 0.32 0.00 0.21 0.00 0.00 66.02 67.05 1a3p s SER 9 CO 0.05 -0.24 1.24 0.00 0.41 0.00 0.00 173.24 174.70 1a3p n TYR 10 N 5.34 0.44 -2.70 2.43 0.18 -1.25 -4.86 117.16 116.74 1a3p n TYR 10 Ca -0.05 -0.73 -0.41 0.00 1.88 0.00 0.00 57.90 58.58 1a3p n TYR 10 Cb 0.50 -0.15 -0.04 0.00 -0.38 0.00 0.00 39.34 39.26 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 -1.71 7.43 -1.19 9.48 1.11 -1.26 -3.06 116.67 127.48 1a3p s ASP 11 Ca 0.27 1.78 -0.04 0.00 0.18 0.00 0.00 52.55 54.74 1a3p s ASP 11 Cb 0.21 -2.58 0.03 0.00 1.07 0.00 0.00 42.92 41.64 1a3p s ASP 11 CO 0.08 -0.14 0.27 0.61 1.18 0.00 0.00 175.17 177.16 1a3p n GLY 12 N 2.45 -0.50 0.04 0.21 0.00 -1.26 -4.82 105.19 101.31 1a3p n GLY 12 Ca 0.04 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.72 0.30 -4.50 1.61 4.19 -1.17 -4.85 117.16 109.01 1a3p n TYR 13 Ca -0.09 0.09 -0.22 0.00 3.31 0.00 0.00 57.90 61.00 1a3p n TYR 13 Cb 0.58 -0.47 -0.14 0.00 0.49 0.00 0.00 39.34 39.80 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 2.18 1.02 0.00 0.00 4.32 0.82 -4.96 117.00 120.39 1a3p n LEU 15 Ca -0.17 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 55.88 1a3p n LEU 15 Cb 0.55 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 1a3p n LEU 15 CO 0.23 0.61 0.00 0.59 -1.22 0.00 0.00 177.39 177.60 1a3p n ASN 16 N -2.97 0.00 -0.31 -1.43 3.02 -1.26 -4.94 115.26 107.37 1a3p n ASN 16 Ca -0.33 0.00 0.29 0.00 -0.03 0.00 0.00 54.58 54.51 1a3p n ASN 16 Cb 1.09 0.00 0.65 0.00 -0.61 0.00 0.00 39.78 40.91 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 0.51 -2.54 7.41 0.00 -1.88 -3.44 103.07 103.13 1a3p h GLY 17 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1a3p h GLY 17 CO 0.00 -0.06 0.00 0.61 0.00 0.00 0.00 176.54 177.09 1a3p n GLY 18 N -1.64 0.00 0.00 4.60 0.00 -1.18 -4.68 105.19 102.30 1a3p n GLY 18 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.29 0.00 0.00 1.61 0.31 0.37 -4.77 118.33 115.56 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 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 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 -0.10 0.00 -3.72 5.55 0.00 0.76 0.02 117.12 119.63 1a3p n MET 21 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.34 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 3.24 -0.28 3.17 2.46 -1.26 -0.90 115.29 119.72 1a3p s HIS 22 Ca 0.00 0.05 0.12 0.00 0.47 0.00 0.00 55.06 55.70 1a3p s HIS 22 Cb 0.00 -2.26 0.73 0.00 -0.13 0.00 0.00 32.58 30.92 1a3p s HIS 22 CO 0.00 -0.05 1.72 1.51 -2.47 0.00 0.00 174.74 175.45 1a3p n ILE 23 N 4.46 2.79 -0.34 0.89 0.13 0.50 -4.65 119.36 123.14 1a3p n ILE 23 Ca -0.15 -1.68 0.30 0.00 -1.10 0.00 0.00 62.75 60.12 1a3p n ILE 23 Cb 0.52 -0.32 0.53 0.00 -0.84 0.00 0.00 39.64 39.53 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 -0.05 -0.04 -0.26 9.51 0.00 0.74 0.43 120.64 130.97 1a3p n GLU 24 Ca 0.34 1.07 0.12 0.00 0.00 0.00 0.00 57.16 58.69 1a3p n GLU 24 Cb 1.25 -2.03 0.24 0.00 0.00 0.00 0.00 31.44 30.90 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 -4.53 -0.05 -0.02 4.31 7.64 -1.26 -1.99 113.62 117.71 1a3p n SER 25 Ca 0.32 1.26 -0.03 0.00 1.01 0.00 0.00 58.87 61.44 1a3p n SER 25 Cb 1.20 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 63.89 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 -5.00 1.15 0.00 -3.43 -0.00 0.17 -5.06 117.00 104.82 1a3p n LEU 26 Ca 0.19 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 1a3p n LEU 26 Cb 0.61 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1a3p n LEU 26 CO -0.05 0.30 0.00 0.47 -0.00 0.00 0.00 177.39 178.11 1a3p n ASP 27 N -2.36 0.00 0.00 1.45 8.00 0.51 -5.15 116.55 119.00 1a3p n ASP 27 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1a3p n ASP 27 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 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 -1.01 2.28 -4.85 -2.24 3.41 -1.23 -4.40 113.62 105.58 1a3p n SER 28 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 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 0.86 3.69 0.17 7.33 5.04 -1.26 0.19 117.35 133.37 1a3p s TYR 29 Ca 0.00 0.88 -0.02 0.00 -2.44 0.00 0.00 57.07 55.49 1a3p s TYR 29 Cb 0.00 -2.20 0.01 0.00 0.35 0.00 0.00 41.96 40.11 1a3p s TYR 29 CO 0.00 0.66 0.26 -2.37 -1.34 0.00 0.00 175.55 172.75 1a3p n THR 30 N 1.77 0.00 -4.31 4.34 5.66 -0.07 -4.73 114.28 116.94 1a3p n THR 30 Ca -0.15 -0.75 -0.22 0.00 -3.05 0.00 0.00 64.05 59.88 1a3p n THR 30 Cb 0.53 0.50 -0.12 0.00 -1.55 0.00 0.00 70.33 69.69 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 -2.40 5.24 0.38 0.00 2.47 0.10 -4.74 114.94 115.99 1a3p s ASN 32 Ca 0.12 -0.33 0.06 0.00 0.42 0.00 0.00 52.86 53.13 1a3p s ASN 32 Cb -0.07 -1.94 -0.00 0.00 -1.45 0.00 0.00 41.25 37.79 1a3p s ASN 32 CO 0.06 -0.09 0.53 0.00 -3.72 0.00 0.00 177.10 173.88 1a3p s VAL 34 N -2.29 2.69 0.61 0.00 0.11 -1.22 -4.77 120.40 115.53 1a3p s VAL 34 Ca 0.48 0.27 0.25 0.00 -2.93 0.00 0.00 61.98 60.05 1a3p s VAL 34 Cb -0.10 -2.66 0.35 0.00 -1.53 0.00 0.00 36.38 32.45 1a3p s VAL 34 CO 0.33 -0.25 1.36 -0.29 -3.33 0.00 0.00 175.10 172.92 1a3p h ILE 35 N -0.88 0.04 0.00 7.04 2.10 -1.98 0.70 117.51 124.53 1a3p h ILE 35 Ca -0.45 0.00 -0.27 0.00 1.08 0.00 0.00 64.86 65.22 1a3p h ILE 35 Cb 1.26 0.09 -0.05 0.00 -1.09 0.00 0.00 36.82 37.03 1a3p h ILE 35 CO 0.49 0.00 -2.25 0.61 -1.08 0.00 0.00 178.15 175.91 1a3p n GLY 36 N -1.67 -0.97 3.60 8.18 0.00 -0.94 -4.85 105.19 108.54 1a3p n GLY 36 Ca 0.19 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.74 3.24 0.00 1.61 2.02 0.24 0.16 117.35 121.88 1a3p s TYR 37 Ca -0.09 0.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 1a3p s TYR 37 Cb 0.08 -2.42 0.00 0.00 -0.40 0.00 0.00 41.96 39.22 1a3p s TYR 37 CO 0.83 -0.15 0.00 0.45 -1.57 0.00 0.00 175.55 175.11 1a3p n SER 38 N 5.04 0.00 0.00 2.29 2.88 -0.62 -3.45 113.62 119.76 1a3p n SER 38 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 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 2.27 1.36 0.00 0.46 0.00 -1.26 -1.08 105.19 106.93 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 -1.99 0.00 -2.72 -0.67 0.00 -1.09 -4.02 116.66 106.17 1a3p n ARG 41 Ca 0.00 -0.07 -0.17 0.00 -0.00 0.00 0.00 57.85 57.61 1a3p n ARG 41 Cb 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 32.46 32.00 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 -0.83 0.00 -3.46 0.00 3.07 -1.88 -3.36 115.11 108.65 1a3p h GLN 43 Ca -0.41 0.00 -0.70 0.00 0.09 0.00 0.00 58.65 57.63 1a3p h GLN 43 Cb 1.29 0.00 -0.36 0.00 0.08 0.00 0.00 27.48 28.49 1a3p h GLN 43 CO 0.45 0.22 -0.29 -0.08 0.09 0.00 0.00 178.83 179.23 1a3p s THR 44 N -3.06 3.89 -1.07 1.86 -1.32 -1.25 -4.96 115.64 109.72 1a3p s THR 44 Ca -0.01 -3.33 -0.22 0.00 -1.21 0.00 0.00 61.69 56.92 1a3p s THR 44 Cb 0.09 -3.49 0.02 0.00 -1.51 0.00 0.00 72.50 67.61 1a3p s THR 44 CO 0.79 -0.95 1.65 -0.13 -2.21 0.00 0.00 174.62 173.77 1a3p s ARG 45 N -0.56 3.37 -1.43 7.08 0.52 -1.26 -1.59 118.95 125.08 1a3p s ARG 45 Ca 0.21 -1.13 -0.11 0.00 -0.52 0.00 0.00 55.73 54.18 1a3p s ARG 45 Cb -0.15 -5.32 0.06 0.00 0.52 0.00 0.00 34.95 30.05 1a3p s ARG 45 CO -0.07 -2.61 2.29 -3.47 0.02 0.00 0.00 175.30 171.46 1a3p n ASP 46 N 10.30 5.58 0.00 0.23 2.03 0.42 -4.83 116.55 130.27 1a3p n ASP 46 Ca 0.39 -2.90 0.00 0.00 0.52 0.00 0.00 54.79 52.80 1a3p n ASP 46 Cb 0.49 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 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 4.53 0.00 0.00 -2.67 4.32 -1.26 -4.45 117.00 117.48 1a3p n LEU 47 Ca 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.54 1a3p n LEU 47 Cb 0.34 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 1a3p n LEU 47 CO 0.85 0.00 0.03 -2.11 -1.22 0.00 0.00 177.39 174.94