#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 0.25 1.53 0.55 0.00 -1.26 -4.88 105.19 101.38 1a3p n GLY 5 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.06 1.61 -0.04 -1.26 -5.01 135.00 130.24 1a3p n PRO 7 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1a3p n PRO 7 Cb 0.00 -2.60 -0.16 0.00 -0.04 0.00 0.00 33.50 30.71 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 1.53 0.25 -3.60 3.54 2.88 -1.26 -5.01 113.62 111.95 1a3p n SER 8 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1a3p n SER 8 Cb 0.46 1.36 -0.04 0.00 -0.75 0.00 0.00 64.21 65.24 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 -0.22 -0.02 -3.46 0.15 -1.26 -5.05 113.70 98.86 1a3p s SER 9 Ca -0.09 0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.78 1a3p s SER 9 Cb 0.09 0.19 0.04 0.00 -1.71 0.00 0.00 66.02 64.62 1a3p s SER 9 CO 0.82 -0.23 0.84 0.00 1.20 0.00 0.00 173.24 175.87 1a3p n TYR 10 N 0.49 0.00 -1.87 3.44 0.18 -1.26 -4.98 117.16 113.16 1a3p n TYR 10 Ca -0.05 -0.32 -0.41 0.00 1.88 0.00 0.00 57.90 59.00 1a3p n TYR 10 Cb 0.58 -0.05 -0.02 0.00 -0.38 0.00 0.00 39.34 39.48 1a3p n TYR 10 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1a3p s ASP 11 N -0.88 6.47 -1.65 9.48 -4.77 -1.26 -2.22 116.67 121.83 1a3p s ASP 11 Ca 0.04 2.87 -0.18 0.00 -3.30 0.00 0.00 52.55 51.98 1a3p s ASP 11 Cb 0.04 -2.64 0.18 0.00 -1.09 0.00 0.00 42.92 39.41 1a3p s ASP 11 CO 0.00 -0.82 0.46 0.61 0.70 0.00 0.00 175.17 176.12 1a3p n GLY 12 N 1.77 -0.32 0.04 2.12 0.00 -1.26 -4.78 105.19 102.75 1a3p n GLY 12 Ca 0.06 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.78 0.31 -4.40 1.61 4.19 -0.94 -4.91 117.16 109.24 1a3p n TYR 13 Ca 0.05 0.09 -0.25 0.00 3.31 0.00 0.00 57.90 61.10 1a3p n TYR 13 Cb 0.44 -0.46 -0.11 0.00 0.49 0.00 0.00 39.34 39.69 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 2.36 0.00 0.00 4.32 0.98 -4.97 117.00 119.89 1a3p n LEU 15 Ca -0.12 -0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 1a3p n LEU 15 Cb 0.57 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 1a3p n LEU 15 CO 0.30 0.66 0.00 0.59 -1.22 0.00 0.00 177.39 177.72 1a3p n ASN 16 N -2.84 0.00 0.29 -1.43 3.02 -1.25 -4.91 115.26 108.13 1a3p n ASN 16 Ca -0.26 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.45 1a3p n ASN 16 Cb 0.81 0.00 0.91 0.00 -0.61 0.00 0.00 39.78 40.89 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 -1.48 7.41 0.00 -1.88 -3.45 103.07 103.67 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 -1.16 0.00 0.00 4.60 0.00 -1.25 -4.63 105.19 102.74 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 -0.17 0.00 0.00 1.61 0.31 -0.89 -4.77 118.33 114.41 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 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 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 -0.93 -4.37 5.55 0.00 0.14 0.06 117.12 117.58 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 -0.12 0.00 0.00 0.00 0.00 33.22 33.10 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 -1.94 3.01 -0.92 3.17 2.46 -1.26 -1.65 115.29 118.16 1a3p s HIS 22 Ca 0.00 -0.35 0.16 0.00 0.47 0.00 0.00 55.06 55.33 1a3p s HIS 22 Cb 0.00 -1.97 0.54 0.00 -0.13 0.00 0.00 32.58 31.02 1a3p s HIS 22 CO 0.00 -0.08 1.46 1.51 -2.47 0.00 0.00 174.74 175.15 1a3p n ILE 23 N 3.65 1.60 -0.05 0.89 0.13 0.44 -4.76 119.36 121.26 1a3p n ILE 23 Ca -0.17 -1.26 -0.00 0.00 -1.10 0.00 0.00 62.75 60.21 1a3p n ILE 23 Cb 0.52 0.20 0.00 0.00 -0.84 0.00 0.00 39.64 39.52 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 0.62 -0.04 -0.11 9.51 0.00 0.13 0.02 120.64 130.77 1a3p n GLU 24 Ca 0.20 0.21 0.06 0.00 0.00 0.00 0.00 57.16 57.64 1a3p n GLU 24 Cb 0.72 -0.32 0.12 0.00 0.00 0.00 0.00 31.44 31.96 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 -4.20 -0.01 -0.06 4.31 7.64 -1.26 -0.17 113.62 119.88 1a3p n SER 25 Ca 0.01 0.55 -0.07 0.00 1.01 0.00 0.00 58.87 60.37 1a3p n SER 25 Cb 0.05 -0.22 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 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 -4.15 2.09 0.00 -3.43 -0.00 0.10 -5.06 117.00 106.56 1a3p n LEU 26 Ca 0.09 -0.05 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1a3p n LEU 26 Cb 0.29 -0.23 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 1a3p n LEU 26 CO -0.02 0.57 0.00 0.47 -0.00 0.00 0.00 177.39 178.41 1a3p n ASP 27 N -2.71 0.00 0.00 1.45 8.00 0.76 -5.16 116.55 118.90 1a3p n ASP 27 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1a3p n ASP 27 Cb 0.76 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 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 -0.82 1.37 -4.85 -2.24 3.41 -1.25 -4.43 113.62 104.81 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 1.09 3.66 0.35 7.33 5.04 -1.26 0.17 117.35 133.73 1a3p s TYR 29 Ca 0.00 0.78 -0.02 0.00 -2.44 0.00 0.00 57.07 55.39 1a3p s TYR 29 Cb 0.00 -2.15 0.00 0.00 0.35 0.00 0.00 41.96 40.17 1a3p s TYR 29 CO 0.00 0.66 0.48 -0.08 -1.34 0.00 0.00 175.55 175.27 1a3p s THR 30 N -0.98 0.00 0.07 4.34 -1.32 -0.66 -4.80 115.64 112.30 1a3p s THR 30 Ca 0.20 -1.60 0.09 0.00 -1.21 0.00 0.00 61.69 59.16 1a3p s THR 30 Cb -0.15 -2.65 -0.03 0.00 -1.51 0.00 0.00 72.50 68.16 1a3p s THR 30 CO 0.09 0.00 -0.22 0.00 -2.21 0.00 0.00 174.62 172.27 1a3p s ASN 32 N -1.61 6.16 0.87 0.00 2.47 0.11 -4.59 114.94 118.34 1a3p s ASN 32 Ca 0.14 -1.35 -0.10 0.00 0.42 0.00 0.00 52.86 51.97 1a3p s ASN 32 Cb -0.10 -2.20 0.17 0.00 -1.45 0.00 0.00 41.25 37.67 1a3p s ASN 32 CO 0.05 -0.69 1.20 0.00 -3.72 0.00 0.00 177.10 173.94 1a3p s VAL 34 N -3.61 4.70 0.63 0.00 0.11 -1.18 -4.86 120.40 116.20 1a3p s VAL 34 Ca 0.71 0.88 0.22 0.00 -2.93 0.00 0.00 61.98 60.85 1a3p s VAL 34 Cb -0.05 -3.86 0.27 0.00 -1.53 0.00 0.00 36.38 31.22 1a3p s VAL 34 CO 0.50 -1.10 1.55 -0.29 -3.33 0.00 0.00 175.10 172.43 1a3p h ILE 35 N -0.20 0.09 0.00 7.04 2.10 -1.93 0.48 117.51 125.10 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 1.19 0.34 0.00 0.00 -1.09 0.00 0.00 36.82 37.26 1a3p h ILE 35 CO 0.62 0.00 -1.37 0.61 -1.08 0.00 0.00 178.15 176.93 1a3p n GLY 36 N -1.48 -1.11 3.05 8.18 0.00 -1.25 -4.85 105.19 107.74 1a3p n GLY 36 Ca 0.07 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.28 2.27 0.00 1.61 2.02 0.17 0.30 117.35 120.44 1a3p s TYR 37 Ca 0.00 -1.25 0.00 0.00 -0.37 0.00 0.00 57.07 55.45 1a3p s TYR 37 Cb 0.14 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 1a3p s TYR 37 CO 0.85 -0.65 0.00 0.45 -1.57 0.00 0.00 175.55 174.63 1a3p n SER 38 N 4.58 0.00 0.00 2.29 2.88 -0.02 -3.08 113.62 120.27 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 0.50 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 2.48 1.88 0.00 0.46 0.00 -1.26 -1.69 105.19 107.06 1a3p n GLY 39 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 2.47 0.00 0.00 1.61 8.00 -1.26 -4.96 116.55 122.41 1a3p n ASP 40 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1a3p n ASP 40 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1a3p n ASP 40 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1a3p n ARG 41 N 0.00 0.14 -2.67 -1.24 0.00 -1.21 -3.35 116.66 108.33 1a3p n ARG 41 Ca 0.00 -0.11 -0.12 0.00 -0.00 0.00 0.00 57.85 57.62 1a3p n ARG 41 Cb 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 32.46 31.94 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 -2.47 0.22 -3.91 0.00 0.00 -1.19 -4.12 117.38 105.92 1a3p n GLN 43 Ca -0.06 0.06 -0.30 0.00 0.00 0.00 0.00 57.00 56.70 1a3p n GLN 43 Cb 0.56 -1.63 -0.14 0.00 0.00 0.00 0.00 30.24 29.03 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 -3.13 2.20 -0.78 -0.39 -1.32 -1.25 -5.02 115.64 105.95 1a3p s THR 44 Ca 0.07 -2.87 -0.24 0.00 -1.21 0.00 0.00 61.69 57.45 1a3p s THR 44 Cb 0.14 -2.56 0.06 0.00 -1.51 0.00 0.00 72.50 68.64 1a3p s THR 44 CO 0.72 -0.77 1.18 -0.13 -2.21 0.00 0.00 174.62 173.41 1a3p s ARG 45 N 0.18 3.28 0.41 7.08 3.00 -1.26 -0.84 118.95 130.79 1a3p s ARG 45 Ca 0.15 -0.77 0.14 0.00 0.00 0.00 0.00 55.73 55.26 1a3p s ARG 45 Cb -0.24 -4.48 0.86 0.00 0.00 0.00 0.00 34.95 31.09 1a3p s ARG 45 CO -0.03 -2.00 1.90 0.22 0.00 0.00 0.00 175.30 175.39 1a3p h ASP 46 N 9.69 0.00 0.00 0.23 3.58 0.42 -3.47 116.42 126.87 1a3p h ASP 46 Ca -0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.30 1a3p h ASP 46 Cb 1.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.10 1a3p h ASP 46 CO 1.25 0.29 0.00 0.18 -2.88 0.00 0.00 179.24 178.08 1a3p n LEU 47 N -4.13 0.00 0.00 2.28 4.77 0.66 -5.01 117.00 115.57 1a3p n LEU 47 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1a3p n LEU 47 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1a3p n LEU 47 CO 0.37 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.97