#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aal n PRO 2 N 0.00 1.41 -0.04 2.89 -0.02 -1.26 -4.89 135.00 133.09 1aal n PRO 2 Ca 0.00 0.51 0.18 0.00 -2.02 0.00 0.00 63.50 62.17 1aal n PRO 2 Cb 0.00 -2.17 0.63 0.00 -0.02 0.00 0.00 33.50 31.94 1aal n PRO 2 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1aal h ASP 3 N 1.45 0.12 0.49 2.55 2.03 -2.02 -0.68 116.42 120.36 1aal h ASP 3 Ca -0.46 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1aal h ASP 3 Cb 1.33 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 1aal h ASP 3 CO 0.56 0.07 0.00 2.19 -1.03 0.00 0.00 179.24 181.03 1aal h PHE 4 N 0.13 0.00 0.00 4.15 -5.15 -1.99 -1.19 116.94 112.90 1aal h PHE 4 Ca 0.28 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.05 1aal h PHE 4 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.08 1aal h PHE 4 CO -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1aal n LEU 6 N -2.86 0.87 -4.89 0.00 4.77 -0.45 -4.47 117.00 109.97 1aal n LEU 6 Ca -0.00 -0.19 -0.29 0.00 -0.03 0.00 0.00 56.01 55.50 1aal n LEU 6 Cb 0.19 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1aal n LEU 6 CO 0.22 0.17 0.47 -1.83 -1.33 0.00 0.00 177.39 175.10 1aal s GLU 7 N -2.65 3.61 0.58 3.23 -1.05 -1.10 -4.79 118.70 116.53 1aal s GLU 7 Ca 0.20 0.33 -0.20 0.00 -0.15 0.00 0.00 54.97 55.16 1aal s GLU 7 Cb 0.19 -2.35 -0.04 0.00 -0.44 0.00 0.00 34.13 31.49 1aal s GLU 7 CO 0.58 -0.20 1.25 -2.14 0.95 0.00 0.00 175.26 175.70 1aal s PRO 8 N -4.56 3.03 0.51 -4.83 0.02 -1.26 -4.90 135.00 123.02 1aal s PRO 8 Ca 0.49 1.96 -0.21 0.00 0.02 0.00 0.00 61.00 63.25 1aal s PRO 8 Cb -0.10 -2.04 -0.06 0.00 0.02 0.00 0.00 34.50 32.31 1aal s PRO 8 CO 0.42 -1.20 1.22 -1.25 -0.33 0.00 0.00 177.00 175.86 1aal s PRO 9 N -3.17 3.42 -0.25 5.54 0.04 -1.26 -4.91 135.00 134.40 1aal s PRO 9 Ca 0.75 1.88 0.02 0.00 0.04 0.00 0.00 61.00 63.69 1aal s PRO 9 Cb -0.34 -2.23 0.06 0.00 0.04 0.00 0.00 34.50 32.03 1aal s PRO 9 CO 0.38 -0.86 -0.09 -0.47 0.04 0.00 0.00 177.00 175.99 1aal s TYR 10 N -1.52 3.01 0.16 0.56 5.04 -1.26 -4.99 117.35 118.35 1aal s TYR 10 Ca 0.69 -2.17 -0.07 0.00 -2.44 0.00 0.00 57.07 53.09 1aal s TYR 10 Cb -0.31 -1.84 0.01 0.00 0.35 0.00 0.00 41.96 40.17 1aal s TYR 10 CO 0.37 -0.85 1.44 1.15 -1.34 0.00 0.00 175.55 176.31 1aal h THR 11 N 6.74 1.31 0.00 4.34 2.02 -1.96 -3.44 112.91 121.92 1aal h THR 11 Ca -0.18 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.13 1aal h THR 11 Cb 1.05 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1aal h THR 11 CO 0.45 0.58 0.00 0.61 0.37 0.00 0.00 175.52 177.53 1aal n GLY 12 N 0.40 -0.68 0.01 2.16 0.00 -1.26 -0.77 105.19 105.05 1aal n GLY 12 Ca -0.04 -1.72 0.13 0.00 0.00 0.00 0.00 46.02 44.38 1aal n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1aal n PRO 13 N -0.72 0.03 -1.76 1.61 -0.04 -1.26 -4.72 135.00 128.13 1aal n PRO 13 Ca 0.00 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.18 1aal n PRO 13 Cb 0.00 -1.52 0.10 0.00 -0.04 0.00 0.00 33.50 32.04 1aal n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aal n LYS 15 N -3.42 2.56 -1.27 0.00 4.76 -1.17 -4.45 118.16 115.17 1aal n LYS 15 Ca 0.07 -2.57 -0.29 0.00 -2.87 0.00 0.00 58.31 52.65 1aal n LYS 15 Cb 0.60 -1.62 0.16 0.00 -1.84 0.00 0.00 35.03 32.32 1aal n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1aal s ALA 16 N -2.43 1.30 -0.49 7.82 0.00 -0.50 -5.02 121.76 122.43 1aal s ALA 16 Ca 0.34 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.01 1aal s ALA 16 Cb 0.27 -3.11 0.16 0.00 0.00 0.00 0.00 23.12 20.43 1aal s ALA 16 CO 0.08 -2.57 0.34 1.03 0.00 0.00 0.00 175.76 174.63 1aal s ARG 17 N -5.03 1.42 -0.13 0.00 0.52 -1.26 -4.26 118.95 110.21 1aal s ARG 17 Ca 0.64 -2.35 0.00 0.00 -0.52 0.00 0.00 55.73 53.51 1aal s ARG 17 Cb -0.17 -2.26 -0.01 0.00 0.52 0.00 0.00 34.95 33.02 1aal s ARG 17 CO 0.56 -1.27 -0.14 0.42 0.02 0.00 0.00 175.30 174.90 1aal s ILE 18 N -0.17 3.00 -0.02 1.52 1.01 -0.78 -4.96 121.20 120.79 1aal s ILE 18 Ca 0.24 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 1aal s ILE 18 Cb -0.10 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1aal s ILE 18 CO -0.11 0.53 1.05 -0.63 0.00 0.00 0.00 174.94 175.78 1aal s ILE 19 N 0.34 4.64 0.22 2.92 -1.09 -1.26 -0.06 121.20 126.91 1aal s ILE 19 Ca -0.11 1.90 0.06 0.00 -2.23 0.00 0.00 60.65 60.27 1aal s ILE 19 Cb -0.16 -4.22 -0.05 0.00 -1.58 0.00 0.00 42.46 36.45 1aal s ILE 19 CO 0.06 0.09 -0.08 -0.13 -1.23 0.00 0.00 174.94 173.65 1aal s ARG 20 N 1.42 1.36 0.09 2.79 1.81 -0.04 -4.91 118.95 121.47 1aal s ARG 20 Ca 0.53 -1.65 0.02 0.00 -1.72 0.00 0.00 55.73 52.91 1aal s ARG 20 Cb -0.22 -0.96 -0.04 0.00 -0.45 0.00 0.00 34.95 33.28 1aal s ARG 20 CO 0.25 0.07 0.15 0.71 -0.68 0.00 0.00 175.30 175.79 1aal s TYR 21 N -3.13 3.32 0.09 -0.53 1.51 0.11 -0.98 117.35 117.74 1aal s TYR 21 Ca 0.25 0.13 -0.09 0.00 -1.01 0.00 0.00 57.07 56.35 1aal s TYR 21 Cb 0.02 -1.66 -0.00 0.00 -0.11 0.00 0.00 41.96 40.21 1aal s TYR 21 CO 0.08 0.54 0.19 -0.59 -1.11 0.00 0.00 175.55 174.66 1aal s PHE 22 N -1.50 0.15 -0.22 2.71 -0.71 0.00 -0.29 117.98 118.13 1aal s PHE 22 Ca 0.32 -0.57 -0.18 0.00 -1.04 0.00 0.00 56.93 55.46 1aal s PHE 22 Cb -0.12 -0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.60 1aal s PHE 22 CO 0.25 -0.54 0.49 -0.47 -1.34 0.00 0.00 175.22 173.62 1aal s TYR 23 N -3.78 3.34 -0.63 3.49 5.04 -1.26 -1.19 117.35 122.36 1aal s TYR 23 Ca 0.04 0.70 -0.24 0.00 -2.44 0.00 0.00 57.07 55.14 1aal s TYR 23 Cb 0.05 -2.66 0.06 0.00 0.35 0.00 0.00 41.96 39.75 1aal s TYR 23 CO -0.11 -0.14 0.98 1.21 -1.34 0.00 0.00 175.55 176.16 1aal s ASN 24 N 1.26 6.23 0.57 4.32 3.84 0.36 -4.78 114.94 126.74 1aal s ASN 24 Ca 0.22 -0.71 0.36 0.00 0.21 0.00 0.00 52.86 52.95 1aal s ASN 24 Cb -0.15 -2.44 1.62 0.00 -0.55 0.00 0.00 41.25 39.73 1aal s ASN 24 CO 0.09 -1.40 2.07 0.00 -2.79 0.00 0.00 177.10 175.07 1aal h ALA 25 N 9.52 1.00 0.08 1.71 0.00 -1.85 0.12 119.26 129.85 1aal h ALA 25 Ca -0.28 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.36 1aal h ALA 25 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1aal h ALA 25 CO 1.16 0.00 -1.36 -0.22 0.00 0.00 0.00 179.25 178.83 1aal h LYS 26 N 0.00 0.18 0.00 0.00 3.64 -1.95 -3.35 116.57 115.09 1aal h LYS 26 Ca 0.00 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1aal h LYS 26 Cb 0.37 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1aal h LYS 26 CO 0.00 1.06 -1.58 0.00 -2.27 0.00 0.00 179.45 176.66 1aal n ALA 27 N -2.55 2.92 -1.46 5.00 0.00 -1.09 -5.00 120.51 118.32 1aal n ALA 27 Ca -0.11 -0.44 -0.06 0.00 0.00 0.00 0.00 53.44 52.83 1aal n ALA 27 Cb 1.02 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 1aal n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aal n GLY 28 N 1.27 0.64 3.28 0.00 0.00 0.40 -5.02 105.19 105.75 1aal n GLY 28 Ca -0.02 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 1aal n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1aal s LEU 29 N -1.53 1.10 -0.11 0.99 0.05 -1.20 -4.98 118.68 113.01 1aal s LEU 29 Ca 0.00 -1.38 -0.23 0.00 0.05 0.00 0.00 54.13 52.57 1aal s LEU 29 Cb 0.00 0.65 -0.03 0.00 -2.05 0.00 0.00 46.19 44.76 1aal s LEU 29 CO 0.00 -0.93 0.69 -0.69 -0.55 0.00 0.00 176.35 174.87 1aal s VAL 30 N -3.99 5.03 0.17 1.48 1.01 -1.26 -0.49 120.40 122.34 1aal s VAL 30 Ca 0.36 1.40 0.02 0.00 0.00 0.00 0.00 61.98 63.76 1aal s VAL 30 Cb 0.05 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1aal s VAL 30 CO 0.14 0.20 0.06 0.00 0.00 0.00 0.00 175.10 175.49 1aal n GLN 31 N 4.22 0.84 -4.38 2.72 6.02 -0.33 -4.96 117.38 121.51 1aal n GLN 31 Ca -0.01 -1.39 -0.20 0.00 -0.01 0.00 0.00 57.00 55.40 1aal n GLN 31 Cb 0.51 0.73 -0.10 0.00 1.02 0.00 0.00 30.24 32.40 1aal n GLN 31 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1aal s THR 32 N -2.13 1.74 0.18 5.09 -4.23 -1.26 -0.82 115.64 114.21 1aal s THR 32 Ca 0.08 -2.19 -0.10 0.00 -1.18 0.00 0.00 61.69 58.30 1aal s THR 32 Cb 0.00 -2.20 -0.01 0.00 1.34 0.00 0.00 72.50 71.63 1aal s THR 32 CO 0.06 -0.48 0.32 0.72 -0.54 0.00 0.00 174.62 174.70 1aal s PHE 33 N -2.97 0.41 -0.26 3.99 -0.71 -0.15 -4.92 117.98 113.38 1aal s PHE 33 Ca 0.25 -0.76 -0.19 0.00 -1.04 0.00 0.00 56.93 55.19 1aal s PHE 33 Cb 0.01 -0.02 -0.02 0.00 -1.21 0.00 0.00 43.02 41.77 1aal s PHE 33 CO 0.09 -0.77 0.57 0.08 -1.34 0.00 0.00 175.22 173.84 1aal s VAL 34 N -3.98 5.03 -0.18 -2.49 1.01 -1.26 -0.86 120.40 117.67 1aal s VAL 34 Ca 0.19 0.98 -0.11 0.00 0.00 0.00 0.00 61.98 63.04 1aal s VAL 34 Cb 0.03 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1aal s VAL 34 CO 0.02 0.05 0.20 -0.47 0.00 0.00 0.00 175.10 174.90 1aal s TYR 35 N 2.40 3.44 -0.94 5.22 5.04 0.92 -4.39 117.35 129.04 1aal s TYR 35 Ca 0.23 0.45 0.24 0.00 -2.44 0.00 0.00 57.07 55.56 1aal s TYR 35 Cb -0.16 -2.22 0.99 0.00 0.35 0.00 0.00 41.96 40.93 1aal s TYR 35 CO 0.09 0.30 1.76 0.41 -1.34 0.00 0.00 175.55 176.77 1aal n GLY 36 N 3.36 -1.36 0.00 8.97 0.00 0.05 -1.87 105.19 114.33 1aal n GLY 36 Ca -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1aal n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aal n GLY 37 N 0.94 0.59 3.23 -0.02 0.00 -1.26 -1.41 105.19 107.26 1aal n GLY 37 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1aal n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aal n ARG 39 N 0.34 -4.61 -1.65 0.00 5.12 -1.26 -4.47 116.66 110.13 1aal n ARG 39 Ca -0.17 0.79 -0.43 0.00 -1.93 0.00 0.00 57.85 56.11 1aal n ARG 39 Cb 0.61 -5.43 -0.00 0.00 -1.16 0.00 0.00 32.46 26.48 1aal n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1aal n ALA 40 N -3.49 0.64 -2.00 7.54 0.00 -1.26 -4.88 120.51 117.06 1aal n ALA 40 Ca -0.09 0.33 -0.22 0.00 0.00 0.00 0.00 53.44 53.46 1aal n ALA 40 Cb 0.60 -2.15 0.08 0.00 0.00 0.00 0.00 19.45 17.98 1aal n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1aal s LYS 41 N -1.85 1.99 0.32 0.00 1.02 -1.26 -5.04 119.74 114.91 1aal s LYS 41 Ca 0.58 -1.15 0.14 0.00 0.02 0.00 0.00 55.97 55.57 1aal s LYS 41 Cb -0.60 -2.43 0.49 0.00 -0.52 0.00 0.00 37.83 34.78 1aal s LYS 41 CO 0.60 -1.16 1.66 0.00 -0.92 0.00 0.00 175.35 175.53 1aal h ARG 42 N -0.25 0.00 -3.80 1.68 3.08 -1.96 -3.34 114.38 109.79 1aal h ARG 42 Ca -0.36 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 58.95 1aal h ARG 42 Cb 1.28 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.22 1aal h ARG 42 CO 0.43 0.51 2.45 -1.71 -1.07 0.00 0.00 179.97 180.58 1aal n ASN 43 N -3.68 4.61 -3.27 7.04 5.15 -1.26 -4.75 115.26 119.09 1aal n ASN 43 Ca -0.01 -3.00 -0.01 0.00 -0.60 0.00 0.00 54.58 50.97 1aal n ASN 43 Cb 0.57 -1.56 -0.04 0.00 -0.53 0.00 0.00 39.78 38.22 1aal n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1aal s ASN 44 N 1.93 -0.86 0.14 1.20 3.84 -1.26 -4.68 114.94 115.26 1aal s ASN 44 Ca 0.43 0.76 0.09 0.00 0.21 0.00 0.00 52.86 54.35 1aal s ASN 44 Cb 0.11 1.85 -0.04 0.00 -0.55 0.00 0.00 41.25 42.61 1aal s ASN 44 CO -0.03 -0.27 -0.22 -0.36 -2.79 0.00 0.00 177.10 173.44 1aal s PHE 45 N 2.76 1.98 -1.20 0.43 0.08 0.60 -4.94 117.98 117.70 1aal s PHE 45 Ca 0.15 -0.42 0.27 0.00 0.12 0.00 0.00 56.93 57.06 1aal s PHE 45 Cb -0.15 -1.03 0.87 0.00 -0.57 0.00 0.00 43.02 42.14 1aal s PHE 45 CO -0.19 0.32 1.65 1.63 -0.10 0.00 0.00 175.22 178.53 1aal n LYS 46 N 0.69 0.21 -3.76 0.44 5.02 -1.26 0.07 118.16 119.57 1aal n LYS 46 Ca -0.16 -0.09 -0.10 0.00 -2.02 0.00 0.00 58.31 55.94 1aal n LYS 46 Cb 0.55 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.00 1aal n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1aal s SER 47 N -2.85 -0.05 0.21 4.39 1.04 -1.26 -4.89 113.70 110.28 1aal s SER 47 Ca 0.17 -0.43 -0.08 0.00 0.48 0.00 0.00 55.95 56.09 1aal s SER 47 Cb 0.19 0.39 0.15 0.00 0.10 0.00 0.00 66.02 66.84 1aal s SER 47 CO 0.59 -0.74 1.73 0.00 0.98 0.00 0.00 173.24 175.81 1aal h ALA 48 N 2.76 0.98 -0.71 5.32 0.00 -1.97 -2.74 119.26 122.90 1aal h ALA 48 Ca -0.33 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.37 1aal h ALA 48 Cb 1.22 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1aal h ALA 48 CO 0.51 0.66 0.44 0.93 0.00 0.00 0.00 179.25 181.79 1aal h GLU 49 N 1.07 0.83 -1.00 0.00 3.07 -1.99 -0.10 114.58 116.46 1aal h GLU 49 Ca 0.22 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 59.06 1aal h GLU 49 Cb 0.36 -0.19 -0.05 0.00 -0.84 0.00 0.00 28.75 28.03 1aal h GLU 49 CO 0.00 0.55 0.66 -0.44 -1.40 0.00 0.00 179.01 178.38 1aal h ASP 50 N 0.86 1.12 -0.32 1.42 3.32 -1.90 -0.05 116.42 120.87 1aal h ASP 50 Ca 0.29 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.20 1aal h ASP 50 Cb 0.04 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1aal h ASP 50 CO -0.12 0.79 -0.26 0.00 -1.72 0.00 0.00 179.24 177.92 1aal h ALA 51 N 1.39 0.46 -0.05 3.45 0.00 -1.15 -1.84 119.26 121.52 1aal h ALA 51 Ca 0.38 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1aal h ALA 51 Cb -0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1aal h ALA 51 CO -0.10 0.46 0.03 0.52 0.00 0.00 0.00 179.25 180.15 1aal h MET 52 N 0.50 0.07 -0.75 0.00 2.86 -0.73 -0.90 114.93 115.98 1aal h MET 52 Ca 0.06 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 1aal h MET 52 Cb 0.83 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.44 1aal h MET 52 CO 0.07 0.13 0.25 0.00 1.06 0.00 0.00 176.91 178.41 1aal h ARG 53 N -0.01 1.16 0.00 1.72 3.08 -1.02 0.14 114.38 119.44 1aal h ARG 53 Ca 0.02 -0.24 -0.24 0.00 0.07 0.00 0.00 59.98 59.58 1aal h ARG 53 Cb 0.08 -0.17 0.02 0.00 0.08 0.00 0.00 29.97 29.98 1aal h ARG 53 CO -0.00 0.98 -0.95 1.15 -1.07 0.00 0.00 179.97 180.08 1aal h THR 54 N 1.11 1.31 -0.01 2.04 2.02 -1.25 -3.37 112.91 114.76 1aal h THR 54 Ca 0.24 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 65.21 1aal h THR 54 Cb 0.29 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1aal h THR 54 CO -0.01 0.68 -0.08 0.00 0.37 0.00 0.00 175.52 176.47 1aal s GLY 56 N -1.26 2.91 0.00 0.00 0.00 0.47 -4.85 107.32 104.60 1aal s GLY 56 Ca 0.14 1.06 0.30 0.00 0.00 0.00 0.00 44.72 46.21 1aal s GLY 56 CO 0.21 1.61 1.96 0.61 0.00 0.00 0.00 173.10 177.49