#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yiu s ALA 2 N 0.00 3.70 -0.97 4.61 0.00 -1.26 -4.84 121.76 123.00 1yiu s ALA 2 Ca 0.00 -3.03 0.09 0.00 0.00 0.00 0.00 51.96 49.02 1yiu s ALA 2 Cb 0.00 -3.87 0.43 0.00 0.00 0.00 0.00 23.12 19.68 1yiu s ALA 2 CO 0.00 -2.72 1.23 -1.33 0.00 0.00 0.00 175.76 172.94 1yiu n MET 3 N 5.52 2.85 -1.86 0.00 0.00 -1.26 -4.93 117.12 117.45 1yiu n MET 3 Ca 0.22 -1.68 -0.41 0.00 0.00 0.00 0.00 57.70 55.82 1yiu n MET 3 Cb 0.48 -1.76 -0.01 0.00 0.00 0.00 0.00 33.22 31.92 1yiu n MET 3 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1yiu s GLY 4 N -0.59 2.45 0.90 3.03 0.00 -1.26 -5.00 107.32 106.86 1yiu s GLY 4 Ca 0.30 1.50 -0.13 0.00 0.00 0.00 0.00 44.72 46.39 1yiu s GLY 4 CO 0.12 2.37 1.16 2.56 0.00 0.00 0.00 173.10 179.30 1yiu s PRO 5 N -1.02 1.19 0.16 2.90 0.04 -1.26 -5.08 135.00 131.93 1yiu s PRO 5 Ca 0.58 0.17 0.03 0.00 0.04 0.00 0.00 61.00 61.83 1yiu s PRO 5 Cb -0.46 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 1yiu s PRO 5 CO 0.52 -2.14 0.28 -0.51 0.04 0.00 0.00 177.00 175.19 1yiu s LEU 6 N -5.95 4.29 0.59 -3.56 2.01 -1.26 -5.02 118.68 109.77 1yiu s LEU 6 Ca 0.64 0.14 -0.20 0.00 0.01 0.00 0.00 54.13 54.72 1yiu s LEU 6 Cb -0.13 -2.86 -0.04 0.00 0.01 0.00 0.00 46.19 43.17 1yiu s LEU 6 CO 0.52 0.04 1.27 -0.81 1.01 0.00 0.00 176.35 178.39 1yiu n PRO 7 N -0.63 1.38 -1.52 1.29 -0.04 -1.26 -4.80 135.00 129.42 1yiu n PRO 7 Ca -0.07 0.52 -0.40 0.00 -0.04 0.00 0.00 63.50 63.51 1yiu n PRO 7 Cb 0.54 -2.49 -0.09 0.00 -0.04 0.00 0.00 33.50 31.42 1yiu n PRO 7 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1yiu n PRO 8 N -1.29 0.57 0.00 0.54 -0.02 -1.26 -0.61 135.00 132.93 1yiu n PRO 8 Ca 0.13 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1yiu n PRO 8 Cb 0.46 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1yiu n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yiu n GLY 9 N 6.28 1.78 3.98 -1.23 0.00 -1.26 -4.91 105.19 109.83 1yiu n GLY 9 Ca 0.51 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.32 1yiu n GLY 9 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1yiu s TRP 10 N -1.41 3.03 0.02 1.61 0.52 0.22 -0.06 118.94 122.87 1yiu s TRP 10 Ca 0.00 -0.06 -0.28 0.00 0.02 0.00 0.00 56.10 55.78 1yiu s TRP 10 Cb 0.00 -2.34 0.08 0.00 -1.15 0.00 0.00 33.47 30.06 1yiu s TRP 10 CO 0.00 -0.40 0.72 -2.00 0.02 0.00 0.00 176.95 175.29 1yiu s GLU 11 N -4.47 1.05 -1.10 4.98 -6.30 -0.35 -4.80 118.70 107.71 1yiu s GLU 11 Ca 0.51 -0.11 -0.05 0.00 -2.50 0.00 0.00 54.97 52.82 1yiu s GLU 11 Cb -0.10 0.49 0.29 0.00 0.00 0.00 0.00 34.13 34.81 1yiu s GLU 11 CO 0.35 -0.40 1.50 1.63 0.02 0.00 0.00 175.26 178.37 1yiu n LYS 12 N 0.24 4.36 -2.31 4.30 5.02 -1.26 -0.96 118.16 127.54 1yiu n LYS 12 Ca -0.16 -4.45 -0.30 0.00 -2.02 0.00 0.00 58.31 51.39 1yiu n LYS 12 Cb 0.61 -2.55 -0.00 0.00 -0.02 0.00 0.00 35.03 33.06 1yiu n LYS 12 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1yiu s ARG 13 N -2.41 3.62 0.23 1.97 0.52 0.43 -4.79 118.95 118.52 1yiu s ARG 13 Ca 0.32 0.52 0.07 0.00 -0.52 0.00 0.00 55.73 56.12 1yiu s ARG 13 Cb 0.05 -2.23 -0.04 0.00 0.52 0.00 0.00 34.95 33.24 1yiu s ARG 13 CO 0.09 -0.35 0.10 0.95 0.02 0.00 0.00 175.30 176.11 1yiu s THR 14 N -2.88 4.07 0.24 0.02 -4.23 -1.26 -0.27 115.64 111.33 1yiu s THR 14 Ca 0.52 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.56 1yiu s THR 14 Cb -0.11 -3.15 0.02 0.00 1.34 0.00 0.00 72.50 70.61 1yiu s THR 14 CO 0.46 -0.28 0.20 -0.90 -0.54 0.00 0.00 174.62 173.57 1yiu n ASP 15 N -0.79 1.66 0.00 3.99 5.68 -0.65 -4.93 116.55 121.50 1yiu n ASP 15 Ca -0.08 -1.81 0.13 0.00 -0.50 0.00 0.00 54.79 52.53 1yiu n ASP 15 Cb 0.57 -0.04 0.69 0.00 -1.14 0.00 0.00 41.12 41.20 1yiu n ASP 15 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1yiu n SER 16 N -2.03 0.00 -0.05 -1.12 3.41 -1.26 -2.95 113.62 109.61 1yiu n SER 16 Ca 0.00 -0.23 -0.10 0.00 -0.26 0.00 0.00 58.87 58.28 1yiu n SER 16 Cb 0.27 -0.23 -0.15 0.00 -0.26 0.00 0.00 64.21 63.84 1yiu n SER 16 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1yiu n ASN 17 N -1.23 0.64 0.00 4.04 2.85 -1.26 -4.97 115.26 115.32 1yiu n ASN 17 Ca 0.14 0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.83 1yiu n ASN 17 Cb 0.19 0.30 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1yiu n ASN 17 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1yiu n GLY 18 N 1.68 1.52 3.97 8.20 0.00 -1.15 -5.12 105.19 114.28 1yiu n GLY 18 Ca -0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 1yiu n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yiu s ARG 19 N -0.15 3.10 -0.11 1.61 0.52 -1.26 -4.88 118.95 117.78 1yiu s ARG 19 Ca 0.00 -0.75 0.01 0.00 -0.52 0.00 0.00 55.73 54.47 1yiu s ARG 19 Cb 0.00 -2.70 -0.02 0.00 0.52 0.00 0.00 34.95 32.76 1yiu s ARG 19 CO 0.00 -0.09 -0.14 0.14 0.02 0.00 0.00 175.30 175.24 1yiu s VAL 20 N -2.35 3.04 0.04 3.52 -7.23 -1.26 -1.63 120.40 114.52 1yiu s VAL 20 Ca 0.46 -0.68 -0.01 0.00 -1.81 0.00 0.00 61.98 59.94 1yiu s VAL 20 Cb -0.10 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 1yiu s VAL 20 CO 0.34 0.54 -0.02 -0.72 -0.31 0.00 0.00 175.10 174.94 1yiu s TYR 21 N 0.05 0.41 -0.26 2.82 -0.85 0.63 -4.92 117.35 115.23 1yiu s TYR 21 Ca -0.05 -0.85 -0.13 0.00 -0.52 0.00 0.00 57.07 55.52 1yiu s TYR 21 Cb -0.14 -0.31 -0.04 0.00 0.38 0.00 0.00 41.96 41.85 1yiu s TYR 21 CO 0.04 -0.32 0.27 -0.06 -1.52 0.00 0.00 175.55 173.97 1yiu s PHE 22 N -3.04 3.27 -0.12 -3.49 0.40 0.12 -0.43 117.98 114.69 1yiu s PHE 22 Ca -0.01 0.31 -0.03 0.00 -0.60 0.00 0.00 56.93 56.59 1yiu s PHE 22 Cb 0.02 -2.44 -0.03 0.00 0.51 0.00 0.00 43.02 41.07 1yiu s PHE 22 CO -0.07 -0.11 0.00 0.54 0.70 0.00 0.00 175.22 176.28 1yiu s VAL 23 N 1.65 4.32 -0.22 -0.44 0.11 -0.13 -0.91 120.40 124.77 1yiu s VAL 23 Ca 0.11 -0.23 -0.05 0.00 -2.93 0.00 0.00 61.98 58.88 1yiu s VAL 23 Cb -0.15 -2.85 -0.02 0.00 -1.53 0.00 0.00 36.38 31.83 1yiu s VAL 23 CO 0.09 0.56 0.01 0.21 -3.33 0.00 0.00 175.10 172.64 1yiu s ASN 24 N -0.43 4.76 0.20 3.54 3.84 0.64 -1.21 114.94 126.28 1yiu s ASN 24 Ca 0.08 -0.26 0.14 0.00 0.21 0.00 0.00 52.86 53.02 1yiu s ASN 24 Cb -0.12 -1.83 -0.03 0.00 -0.55 0.00 0.00 41.25 38.71 1yiu s ASN 24 CO 0.02 0.01 1.28 0.45 -2.79 0.00 0.00 177.10 176.06 1yiu h HIS 25 N 7.93 0.00 0.53 0.43 3.86 -0.80 -1.71 115.15 125.39 1yiu h HIS 25 Ca -0.38 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 58.80 1yiu h HIS 25 Cb 1.17 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.65 1yiu h HIS 25 CO 0.62 0.63 -0.26 -0.97 0.86 0.00 0.00 177.93 178.81 1yiu h ASN 26 N 0.00 -0.61 -0.04 2.45 -1.24 -1.91 -3.34 115.58 110.89 1yiu h ASN 26 Ca -0.04 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.91 1yiu h ASN 26 Cb 1.52 0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.72 1yiu h ASN 26 CO 0.07 -0.26 0.00 1.07 -1.29 0.00 0.00 177.43 177.02 1yiu n THR 27 N -5.30 1.15 -3.10 -3.57 5.66 -1.26 -5.02 114.28 102.82 1yiu n THR 27 Ca -0.11 -1.19 -0.09 0.00 -3.05 0.00 0.00 64.05 59.60 1yiu n THR 27 Cb 0.33 0.38 0.04 0.00 -1.55 0.00 0.00 70.33 69.53 1yiu n THR 27 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1yiu n ARG 28 N -0.54 -1.84 -3.98 1.09 5.12 -0.68 -5.01 116.66 110.82 1yiu n ARG 28 Ca 0.04 1.04 -0.35 0.00 -1.93 0.00 0.00 57.85 56.65 1yiu n ARG 28 Cb 0.33 -5.61 -0.14 0.00 -1.16 0.00 0.00 32.46 25.88 1yiu n ARG 28 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1yiu s ILE 29 N -3.24 3.41 -0.49 0.55 -1.09 -1.00 -4.91 121.20 114.42 1yiu s ILE 29 Ca 0.29 -0.48 -0.14 0.00 -2.23 0.00 0.00 60.65 58.09 1yiu s ILE 29 Cb -0.04 -2.54 0.10 0.00 -1.58 0.00 0.00 42.46 38.40 1yiu s ILE 29 CO 0.71 0.43 0.41 -0.89 -1.23 0.00 0.00 174.94 174.37 1yiu s THR 30 N 1.35 4.91 0.02 2.92 2.01 -1.26 -0.26 115.64 125.33 1yiu s THR 30 Ca 0.04 -1.41 0.08 0.00 0.31 0.00 0.00 61.69 60.72 1yiu s THR 30 Cb -0.14 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 1yiu s THR 30 CO -0.02 -0.72 -0.25 -1.58 -0.69 0.00 0.00 174.62 171.36 1yiu s GLN 31 N 1.55 1.97 0.03 4.92 0.74 -0.09 -4.97 119.66 123.80 1yiu s GLN 31 Ca 0.04 -1.02 0.19 0.00 0.05 0.00 0.00 55.36 54.62 1yiu s GLN 31 Cb -0.27 -2.03 -0.17 0.00 1.10 0.00 0.00 33.01 31.64 1yiu s GLN 31 CO 0.03 0.54 0.67 0.91 -0.55 0.00 0.00 175.29 176.89 1yiu n TRP 32 N 2.04 0.62 -2.70 1.67 7.02 -1.26 0.12 117.44 124.96 1yiu n TRP 32 Ca -0.16 0.20 -0.35 0.00 -1.02 0.00 0.00 57.50 56.17 1yiu n TRP 32 Cb 0.52 -0.93 -0.06 0.00 -2.42 0.00 0.00 31.31 28.42 1yiu n TRP 32 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1yiu s GLU 33 N -3.06 4.22 -0.16 -0.99 8.01 -1.26 -4.73 118.70 120.73 1yiu s GLU 33 Ca -0.05 1.29 -0.29 0.00 0.01 0.00 0.00 54.97 55.93 1yiu s GLU 33 Cb 0.10 -2.38 -0.01 0.00 -4.31 0.00 0.00 34.13 27.52 1yiu s GLU 33 CO 0.83 -0.05 1.20 0.34 0.01 0.00 0.00 175.26 177.59 1yiu s ASP 34 N -1.89 7.00 0.55 -0.19 -1.08 -1.26 -4.78 116.67 115.02 1yiu s ASP 34 Ca 0.59 1.65 0.32 0.00 -0.52 0.00 0.00 52.55 54.59 1yiu s ASP 34 Cb -0.15 -2.54 1.56 0.00 -1.46 0.00 0.00 42.92 40.33 1yiu s ASP 34 CO 0.20 -0.71 2.08 -0.65 0.52 0.00 0.00 175.17 176.62 1yiu h PRO 35 N 7.91 0.00 -0.01 4.34 0.11 -1.96 -2.87 132.00 139.52 1yiu h PRO 35 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1yiu h PRO 35 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1yiu h PRO 35 CO 0.95 0.08 -0.45 0.54 -0.21 0.00 0.00 178.00 178.92 1yiu n ARG 36 N -3.38 0.96 0.00 1.05 1.74 -1.26 -5.05 116.66 110.71 1yiu n ARG 36 Ca -0.01 -0.73 0.04 0.00 -0.77 0.00 0.00 57.85 56.38 1yiu n ARG 36 Cb 0.24 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.23 1yiu n ARG 36 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54