#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab1 s THR 2 N 0.00 4.78 -0.02 12.58 2.01 -1.26 -0.47 115.64 133.26 1ab1 s THR 2 Ca 0.00 1.85 0.03 0.00 0.31 0.00 0.00 61.69 63.88 1ab1 s THR 2 Cb 0.00 -4.23 -0.00 0.00 0.01 0.00 0.00 72.50 68.27 1ab1 s THR 2 CO 0.00 -0.07 -0.11 0.00 -0.69 0.00 0.00 174.62 173.75 1ab1 h PRO 5 N 4.52 0.00 -3.78 0.00 0.13 -1.79 -0.95 132.00 130.13 1ab1 h PRO 5 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 1ab1 h PRO 5 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 1ab1 h PRO 5 CO 0.42 0.19 -0.15 -1.54 -0.23 0.00 0.00 178.00 176.69 1ab1 s SER 6 N -6.16 0.11 0.06 1.44 1.04 -1.26 -4.65 113.70 104.28 1ab1 s SER 6 Ca 0.03 -1.07 -0.24 0.00 0.48 0.00 0.00 55.95 55.14 1ab1 s SER 6 Cb 0.08 0.60 -0.17 0.00 0.10 0.00 0.00 66.02 66.63 1ab1 s SER 6 CO 0.65 -1.17 1.60 0.40 0.98 0.00 0.00 173.24 175.69 1ab1 h ILE 7 N 2.25 1.05 0.00 -1.02 2.04 -1.96 -2.40 117.51 117.47 1ab1 h ILE 7 Ca -0.27 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.19 1ab1 h ILE 7 Cb 1.25 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1ab1 h ILE 7 CO 0.38 0.08 -0.42 0.58 0.00 0.00 0.00 178.15 178.76 1ab1 h VAL 8 N -0.20 1.16 -0.58 1.67 2.07 -1.99 -0.59 116.25 117.80 1ab1 h VAL 8 Ca -0.01 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 65.96 1ab1 h VAL 8 Cb 0.17 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1ab1 h VAL 8 CO 0.01 0.42 0.28 0.00 0.02 0.00 0.00 177.57 178.29 1ab1 h ALA 9 N 1.58 0.74 -0.23 1.67 0.00 -1.81 0.11 119.26 121.33 1ab1 h ALA 9 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1ab1 h ALA 9 Cb 0.82 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ab1 h ALA 9 CO 0.06 0.31 0.12 -0.09 0.00 0.00 0.00 179.25 179.64 1ab1 h ARG 10 N 0.78 0.32 -0.67 0.00 9.65 -0.84 0.11 114.38 123.74 1ab1 h ARG 10 Ca 0.20 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 59.08 1ab1 h ARG 10 Cb 0.12 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.59 1ab1 h ARG 10 CO -0.02 0.32 0.38 0.77 2.80 0.00 0.00 179.97 184.22 1ab1 h SER 11 N 0.25 0.59 -0.72 -3.80 0.02 -0.73 -0.20 113.55 108.95 1ab1 h SER 11 Ca 0.08 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1ab1 h SER 11 Cb 0.10 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1ab1 h SER 11 CO -0.01 0.39 0.19 0.78 -1.14 0.00 0.00 176.83 177.04 1ab1 h ASN 12 N 0.72 1.09 -0.17 3.07 2.35 -0.60 -2.18 115.58 119.85 1ab1 h ASN 12 Ca 0.29 -0.23 0.04 0.00 -0.55 0.00 0.00 56.30 55.86 1ab1 h ASN 12 Cb 0.14 -0.29 -0.05 0.00 0.05 0.00 0.00 38.32 38.18 1ab1 h ASN 12 CO -0.16 1.03 -0.11 0.15 -1.65 0.00 0.00 177.43 176.69 1ab1 h PHE 13 N 1.09 -0.28 -0.32 1.19 3.57 -0.12 -0.31 116.94 121.76 1ab1 h PHE 13 Ca 0.23 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 1ab1 h PHE 13 Cb 0.36 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1ab1 h PHE 13 CO 0.03 -0.17 0.09 -0.91 -2.23 0.00 0.00 178.31 175.11 1ab1 h ASN 14 N -0.11 0.42 -0.14 0.41 2.35 -0.82 -0.65 115.58 117.04 1ab1 h ASN 14 Ca 0.10 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1ab1 h ASN 14 Cb 0.26 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 1ab1 h ASN 14 CO -0.24 0.42 -0.07 0.58 -1.65 0.00 0.00 177.43 176.47 1ab1 h VAL 15 N 0.46 1.32 -0.97 2.81 2.07 -1.08 -2.91 116.25 117.95 1ab1 h VAL 15 Ca 0.11 -1.11 0.19 0.00 0.82 0.00 0.00 66.70 66.71 1ab1 h VAL 15 Cb 0.16 1.77 -0.09 0.00 -1.52 0.00 0.00 31.29 31.61 1ab1 h VAL 15 CO -0.01 0.32 0.61 0.00 0.02 0.00 0.00 177.57 178.52 1ab1 h ARG 17 N 0.63 0.00 -0.82 0.00 2.47 -0.98 -3.35 114.38 112.33 1ab1 h ARG 17 Ca 0.53 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 59.33 1ab1 h ARG 17 Cb 1.00 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.26 1ab1 h ARG 17 CO -0.29 0.09 0.49 -0.07 0.56 0.00 0.00 179.97 180.74 1ab1 h LEU 18 N 0.00 0.73 0.00 3.04 3.38 -1.00 0.17 115.31 121.63 1ab1 h LEU 18 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ab1 h LEU 18 Cb 0.72 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1ab1 h LEU 18 CO 0.01 0.44 0.00 -0.81 0.09 0.00 0.00 178.44 178.17 1ab1 n PRO 19 N -4.70 0.33 0.00 1.13 -0.04 -1.26 -4.87 135.00 125.60 1ab1 n PRO 19 Ca 0.13 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1ab1 n PRO 19 Cb 0.23 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1ab1 n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ab1 n GLY 20 N 0.75 1.05 3.58 0.55 0.00 0.60 -5.07 105.19 106.65 1ab1 n GLY 20 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 1ab1 n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ab1 n THR 21 N -1.66 1.67 -1.94 2.61 -1.04 -1.25 -4.89 114.28 107.78 1ab1 n THR 21 Ca 0.00 -0.42 -0.36 0.00 -2.04 0.00 0.00 64.05 61.23 1ab1 n THR 21 Cb 0.00 -0.93 0.04 0.00 -1.82 0.00 0.00 70.33 67.62 1ab1 n THR 21 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ab1 s SER 22 N -0.40 5.05 0.33 8.00 1.04 -1.26 -4.69 113.70 121.77 1ab1 s SER 22 Ca 0.63 2.42 0.07 0.00 0.48 0.00 0.00 55.95 59.56 1ab1 s SER 22 Cb -0.75 -2.60 0.77 0.00 0.10 0.00 0.00 66.02 63.54 1ab1 s SER 22 CO 0.57 -1.69 1.83 -0.33 0.98 0.00 0.00 173.24 174.61 1ab1 h GLU 23 N 0.77 0.73 -0.68 4.02 5.08 -1.99 -1.48 114.58 121.03 1ab1 h GLU 23 Ca -0.50 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 57.75 1ab1 h GLU 23 Cb 1.30 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1ab1 h GLU 23 CO 0.55 0.48 0.16 0.00 -1.00 0.00 0.00 179.01 179.20 1ab1 h ALA 24 N 1.60 0.90 -0.52 3.43 0.00 -2.00 0.20 119.26 122.87 1ab1 h ALA 24 Ca 0.50 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1ab1 h ALA 24 Cb 0.78 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1ab1 h ALA 24 CO -0.27 0.62 -0.08 0.82 0.00 0.00 0.00 179.25 180.35 1ab1 h ILE 25 N 1.02 1.27 -0.11 0.00 1.08 -1.84 -2.64 117.51 116.30 1ab1 h ILE 25 Ca 0.21 -1.21 -0.08 0.00 -0.39 0.00 0.00 64.86 63.39 1ab1 h ILE 25 Cb 0.37 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 1ab1 h ILE 25 CO 0.00 0.43 -0.29 0.00 -0.69 0.00 0.00 178.15 177.60 1ab1 h ALA 27 N 1.54 -0.51 0.00 0.00 0.00 -0.47 -1.52 119.26 118.30 1ab1 h ALA 27 Ca 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1ab1 h ALA 27 Cb 0.60 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1ab1 h ALA 27 CO 0.04 -0.77 -0.18 1.79 0.00 0.00 0.00 179.25 180.14 1ab1 h THR 28 N -0.54 0.52 -0.23 0.00 1.35 -1.30 0.12 112.91 112.83 1ab1 h THR 28 Ca -0.05 -0.87 -0.16 0.00 -0.55 0.00 0.00 66.41 64.78 1ab1 h THR 28 Cb 0.41 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 1ab1 h THR 28 CO 0.08 0.17 -0.51 0.22 -0.25 0.00 0.00 175.52 175.24 1ab1 h TYR 29 N 0.00 0.80 0.00 4.73 3.20 -1.00 -3.36 116.97 121.34 1ab1 h TYR 29 Ca -0.00 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.60 1ab1 h TYR 29 Cb 0.57 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.69 1ab1 h TYR 29 CO 0.00 1.02 -1.58 0.25 -1.64 0.00 0.00 178.16 176.22 1ab1 n THR 30 N -3.99 0.00 -0.13 1.81 -2.24 -0.59 -5.00 114.28 104.15 1ab1 n THR 30 Ca -0.03 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1ab1 n THR 30 Cb 0.59 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1ab1 n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ab1 n GLY 31 N 1.67 0.72 3.65 3.38 0.00 0.38 -4.81 105.19 110.20 1ab1 n GLY 31 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1ab1 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab1 s ILE 33 N -2.88 0.84 -0.15 0.00 -4.36 0.37 -4.42 121.20 110.61 1ab1 s ILE 33 Ca 0.66 -1.91 -0.01 0.00 -0.26 0.00 0.00 60.65 59.12 1ab1 s ILE 33 Cb -0.20 -1.66 -0.01 0.00 1.25 0.00 0.00 42.46 41.84 1ab1 s ILE 33 CO 0.59 -0.80 -0.11 -0.63 0.24 0.00 0.00 174.94 174.23 1ab1 s ILE 34 N -3.36 3.15 0.22 8.37 -1.09 -1.26 -0.98 121.20 126.25 1ab1 s ILE 34 Ca 0.12 -0.61 0.11 0.00 -2.23 0.00 0.00 60.65 58.03 1ab1 s ILE 34 Cb 0.03 -2.35 -0.05 0.00 -1.58 0.00 0.00 42.46 38.52 1ab1 s ILE 34 CO -0.03 0.51 -0.21 0.27 -1.23 0.00 0.00 174.94 174.25 1ab1 s ILE 35 N 0.56 2.24 0.02 2.92 -4.36 0.38 -4.96 121.20 117.99 1ab1 s ILE 35 Ca -0.07 -2.16 0.14 0.00 -0.26 0.00 0.00 60.65 58.30 1ab1 s ILE 35 Cb -0.15 -2.12 0.00 0.00 1.25 0.00 0.00 42.46 41.44 1ab1 s ILE 35 CO 0.03 -0.30 1.48 1.55 0.24 0.00 0.00 174.94 177.95 1ab1 h PRO 36 N 2.82 0.00 0.00 0.37 0.13 -2.00 -0.38 132.00 132.94 1ab1 h PRO 36 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1ab1 h PRO 36 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ab1 h PRO 36 CO 0.54 0.61 0.00 0.41 -0.23 0.00 0.00 178.00 179.33 1ab1 n GLY 37 N 0.96 -0.26 0.11 1.56 0.00 -1.26 -4.69 105.19 101.61 1ab1 n GLY 37 Ca 0.01 -1.78 0.01 0.00 0.00 0.00 0.00 46.02 44.26 1ab1 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab1 n ALA 38 N -3.00 2.25 -3.74 4.61 0.00 -1.26 -3.80 120.51 115.56 1ab1 n ALA 38 Ca 0.00 -0.80 -0.37 0.00 0.00 0.00 0.00 53.44 52.28 1ab1 n ALA 38 Cb 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.26 1ab1 n ALA 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ab1 s THR 39 N -0.63 3.48 0.34 0.00 2.01 -1.26 -5.07 115.64 114.51 1ab1 s THR 39 Ca 0.04 -2.33 -0.28 0.00 0.31 0.00 0.00 61.69 59.44 1ab1 s THR 39 Cb 0.02 -3.34 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 1ab1 s THR 39 CO 0.03 -0.76 1.20 0.00 -0.69 0.00 0.00 174.62 174.40 1ab1 s PRO 41 N -1.90 1.59 0.55 0.00 0.04 -1.26 -4.91 135.00 129.12 1ab1 s PRO 41 Ca 0.51 0.39 0.30 0.00 0.04 0.00 0.00 61.00 62.24 1ab1 s PRO 41 Cb -0.34 -1.88 1.62 0.00 0.04 0.00 0.00 34.50 33.94 1ab1 s PRO 41 CO 0.44 -1.91 2.14 0.78 0.04 0.00 0.00 177.00 178.49 1ab1 h GLY 42 N -1.29 0.00 -1.07 0.56 0.00 -1.98 -0.65 103.07 98.64 1ab1 h GLY 42 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1ab1 h GLY 42 CO 0.62 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.25 1ab1 n ASP 43 N -3.63 2.07 -3.10 0.19 5.75 -1.26 -3.99 116.55 112.58 1ab1 n ASP 43 Ca -0.02 -1.71 -0.22 0.00 -0.01 0.00 0.00 54.79 52.83 1ab1 n ASP 43 Cb 0.19 -0.05 -0.04 0.00 -1.03 0.00 0.00 41.12 40.19 1ab1 n ASP 43 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1ab1 n TYR 44 N 0.61 1.64 1.20 2.11 4.02 -0.26 -4.52 117.16 121.96 1ab1 n TYR 44 Ca 0.17 -3.88 0.13 0.00 -0.01 0.00 0.00 57.90 54.31 1ab1 n TYR 44 Cb 0.43 -0.45 0.44 0.00 -0.02 0.00 0.00 39.34 39.74 1ab1 n TYR 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ab1 n ALA 45 N 0.14 3.04 0.31 -0.72 0.00 -1.04 -3.87 120.51 118.36 1ab1 n ALA 45 Ca 0.27 -0.32 0.04 0.00 0.00 0.00 0.00 53.44 53.43 1ab1 n ALA 45 Cb 0.55 -1.23 0.03 0.00 0.00 0.00 0.00 19.45 18.81 1ab1 n ALA 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59