#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 5.12 0.00 -1.23 0.00 -1.26 -4.94 105.19 102.88 1a3p n GLY 5 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 0.43 1.98 0.00 0.00 175.50 177.91 1a3p n SER 8 N 0.00 0.00 -3.88 2.55 7.64 -1.26 -3.85 113.62 114.82 1a3p n SER 8 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1a3p n SER 8 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.03 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 -4.96 2.56 0.00 6.43 0.01 -1.26 -4.99 113.70 111.49 1a3p s SER 9 Ca 0.00 -0.53 0.07 0.00 1.31 0.00 0.00 55.95 56.80 1a3p s SER 9 Cb 0.00 -0.85 0.08 0.00 0.21 0.00 0.00 66.02 65.47 1a3p s SER 9 CO 0.00 -0.17 0.82 0.00 0.41 0.00 0.00 173.24 174.30 1a3p n TYR 10 N 4.92 0.07 -2.28 2.43 4.11 -1.25 -4.87 117.16 120.29 1a3p n TYR 10 Ca -0.12 -0.12 -0.40 0.00 -0.00 0.00 0.00 57.90 57.26 1a3p n TYR 10 Cb 0.49 -0.01 -0.03 0.00 -0.00 0.00 0.00 39.34 39.79 1a3p n TYR 10 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1a3p s ASP 11 N -0.66 6.95 -1.80 9.48 -1.08 -1.26 -2.71 116.67 125.59 1a3p s ASP 11 Ca 0.09 2.48 -0.18 0.00 -0.52 0.00 0.00 52.55 54.42 1a3p s ASP 11 Cb 0.06 -2.64 0.18 0.00 -1.46 0.00 0.00 42.92 39.06 1a3p s ASP 11 CO 0.09 -0.39 0.47 0.61 0.52 0.00 0.00 175.17 176.47 1a3p n GLY 12 N 0.94 -0.34 0.09 2.66 0.00 -1.26 -4.79 105.19 102.49 1a3p n GLY 12 Ca 0.00 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.20 0.79 -4.34 1.61 4.19 -1.10 -4.90 117.16 109.22 1a3p n TYR 13 Ca 0.01 0.23 -0.26 0.00 3.31 0.00 0.00 57.90 61.19 1a3p n TYR 13 Cb 0.51 -0.85 -0.10 0.00 0.49 0.00 0.00 39.34 39.39 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 0.04 1.71 0.00 0.00 7.94 0.55 -4.98 117.00 122.26 1a3p n LEU 15 Ca -0.11 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 1a3p n LEU 15 Cb 0.56 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 44.31 1a3p n LEU 15 CO 0.34 0.59 0.00 0.59 -1.11 0.00 0.00 177.39 177.79 1a3p n ASN 16 N -2.77 0.00 0.28 1.96 5.03 -1.26 -4.93 115.26 113.57 1a3p n ASN 16 Ca -0.26 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.32 1a3p n ASN 16 Cb 0.86 0.00 0.79 0.00 -1.02 0.00 0.00 39.78 40.41 1a3p n ASN 16 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1a3p h GLY 17 N 0.00 0.00 -2.11 7.41 0.00 -1.88 -3.46 103.07 103.03 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 -1.12 0.00 0.00 4.60 0.00 -1.25 -4.67 105.19 102.75 1a3p n GLY 18 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.24 0.00 0.00 1.61 0.31 -0.61 -4.75 118.33 114.64 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 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 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 -0.01 -0.53 -4.41 5.55 0.00 -0.01 0.54 117.12 118.24 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 -1.95 2.94 -0.94 3.17 2.46 -1.26 -1.89 115.29 117.81 1a3p s HIS 22 Ca 0.00 -0.54 0.16 0.00 0.47 0.00 0.00 55.06 55.15 1a3p s HIS 22 Cb 0.00 -1.96 0.56 0.00 -0.13 0.00 0.00 32.58 31.05 1a3p s HIS 22 CO 0.00 -0.20 1.48 1.51 -2.47 0.00 0.00 174.74 175.06 1a3p n ILE 23 N 3.81 1.63 -0.00 0.89 0.13 0.49 -4.76 119.36 121.55 1a3p n ILE 23 Ca -0.18 -1.26 -0.00 0.00 -1.10 0.00 0.00 62.75 60.21 1a3p n ILE 23 Cb 0.52 0.19 -0.00 0.00 -0.84 0.00 0.00 39.64 39.51 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 0.67 -0.00 -0.11 9.51 0.00 0.36 0.17 120.64 131.23 1a3p n GLU 24 Ca 0.21 0.01 0.03 0.00 0.00 0.00 0.00 57.16 57.40 1a3p n GLU 24 Cb 0.74 -0.01 0.06 0.00 0.00 0.00 0.00 31.44 32.22 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 -4.01 -0.09 -0.08 4.31 7.64 -1.26 -0.20 113.62 119.93 1a3p n SER 25 Ca 0.00 0.54 -0.10 0.00 1.01 0.00 0.00 58.87 60.32 1a3p n SER 25 Cb 0.00 -0.17 -0.09 0.00 -1.01 0.00 0.00 64.21 62.95 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 -4.44 1.89 0.00 -3.43 -0.00 0.13 -5.04 117.00 106.11 1a3p n LEU 26 Ca 0.06 -0.06 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1a3p n LEU 26 Cb 0.18 -0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 1a3p n LEU 26 CO -0.03 0.61 0.00 0.47 -0.00 0.00 0.00 177.39 178.43 1a3p n ASP 27 N -2.79 0.00 0.00 1.45 8.00 0.72 -5.16 116.55 118.77 1a3p n ASP 27 Ca -0.26 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.24 1a3p n ASP 27 Cb 0.85 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 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 -0.89 1.17 -4.86 -2.24 3.41 -1.25 -4.47 113.62 104.49 1a3p n SER 28 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 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 1.10 3.65 0.30 7.33 5.04 -1.26 0.19 117.35 133.68 1a3p s TYR 29 Ca 0.00 0.71 -0.05 0.00 -2.44 0.00 0.00 57.07 55.29 1a3p s TYR 29 Cb 0.00 -2.08 0.02 0.00 0.35 0.00 0.00 41.96 40.26 1a3p s TYR 29 CO 0.00 0.69 0.48 -2.37 -1.34 0.00 0.00 175.55 173.01 1a3p n THR 30 N 1.81 0.00 -4.38 4.34 5.66 -0.79 -4.72 114.28 116.20 1a3p n THR 30 Ca -0.17 -1.23 -0.26 0.00 -3.05 0.00 0.00 64.05 59.35 1a3p n THR 30 Cb 0.54 0.86 -0.10 0.00 -1.55 0.00 0.00 70.33 70.08 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 -3.08 5.61 0.49 0.00 2.47 0.19 -4.75 114.94 115.87 1a3p s ASN 32 Ca 0.26 -1.90 -0.06 0.00 0.42 0.00 0.00 52.86 51.58 1a3p s ASN 32 Cb -0.07 -1.97 -0.03 0.00 -1.45 0.00 0.00 41.25 37.72 1a3p s ASN 32 CO 0.14 -0.65 0.80 0.00 -3.72 0.00 0.00 177.10 173.67 1a3p s VAL 34 N -2.78 2.21 0.60 0.00 0.11 -1.24 -4.79 120.40 114.52 1a3p s VAL 34 Ca 0.48 0.07 0.27 0.00 -2.93 0.00 0.00 61.98 59.87 1a3p s VAL 34 Cb -0.10 -2.15 0.27 0.00 -1.53 0.00 0.00 36.38 32.86 1a3p s VAL 34 CO 0.45 -0.09 1.81 -0.29 -3.33 0.00 0.00 175.10 173.65 1a3p h ILE 35 N -1.84 0.00 -0.03 7.04 2.10 -2.02 0.23 117.51 123.00 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 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 1a3p h ILE 35 CO 0.43 0.00 -0.06 0.61 -1.08 0.00 0.00 178.15 178.05 1a3p n GLY 36 N -1.24 0.65 2.80 8.18 0.00 -1.26 -4.85 105.19 109.47 1a3p n GLY 36 Ca -0.02 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.88 0.96 0.00 1.61 2.02 0.81 0.27 117.35 121.14 1a3p s TYR 37 Ca 0.24 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 1a3p s TYR 37 Cb 0.18 -0.96 0.00 0.00 -0.40 0.00 0.00 41.96 40.78 1a3p s TYR 37 CO 0.31 -0.42 0.00 0.45 -1.57 0.00 0.00 175.55 174.32 1a3p n SER 38 N 5.07 0.00 0.00 2.29 2.88 0.33 -3.62 113.62 120.58 1a3p n SER 38 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 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 1.89 1.74 0.00 0.46 0.00 -1.26 -1.02 105.19 107.00 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 -1.50 -0.01 -2.30 -0.67 0.00 -1.13 -3.88 116.66 107.17 1a3p n ARG 41 Ca 0.00 -0.04 -0.11 0.00 -0.00 0.00 0.00 57.85 57.70 1a3p n ARG 41 Cb 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 32.46 31.97 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 -0.14 0.00 -3.77 0.00 3.07 -1.89 -3.36 115.11 109.02 1a3p h GLN 43 Ca -0.27 0.00 -0.66 0.00 0.09 0.00 0.00 58.65 57.81 1a3p h GLN 43 Cb 1.20 0.00 -0.39 0.00 0.08 0.00 0.00 27.48 28.36 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 -3.23 2.74 -0.88 1.86 -1.32 -1.25 -5.01 115.64 108.55 1a3p s THR 44 Ca 0.04 -2.98 -0.20 0.00 -1.21 0.00 0.00 61.69 57.34 1a3p s THR 44 Cb 0.12 -2.90 0.11 0.00 -1.51 0.00 0.00 72.50 68.32 1a3p s THR 44 CO 0.75 -0.76 1.12 -0.13 -2.21 0.00 0.00 174.62 173.38 1a3p s ARG 45 N 0.09 3.49 0.56 7.08 0.52 -1.26 -0.51 118.95 128.92 1a3p s ARG 45 Ca 0.15 -1.50 0.26 0.00 -0.52 0.00 0.00 55.73 54.13 1a3p s ARG 45 Cb -0.23 -4.80 1.53 0.00 0.52 0.00 0.00 34.95 31.96 1a3p s ARG 45 CO -0.03 -1.82 2.06 0.22 0.02 0.00 0.00 175.30 175.75 1a3p h ASP 46 N 9.09 0.00 -3.25 0.23 3.58 0.34 -3.47 116.42 122.94 1a3p h ASP 46 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 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 1.15 0.00 -0.16 -0.11 -2.88 0.00 0.00 179.24 177.24 1a3p n LEU 47 N -4.04 -2.70 0.00 2.28 7.94 0.46 -5.01 117.00 115.93 1a3p n LEU 47 Ca 0.04 0.53 0.00 0.00 -1.11 0.00 0.00 56.01 55.47 1a3p n LEU 47 Cb 0.40 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 42.99 1a3p n LEU 47 CO 0.31 -0.34 0.17 0.54 -1.11 0.00 0.00 177.39 176.96