#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yiu n ALA 2 N 0.00 -2.54 1.00 4.61 0.00 -1.26 -4.85 120.51 117.47 1yiu n ALA 2 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1yiu n ALA 2 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1yiu n ALA 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1yiu n MET 3 N -1.87 1.00 0.00 0.00 2.81 -1.26 -4.92 117.12 112.88 1yiu n MET 3 Ca -0.04 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 1yiu n MET 3 Cb 0.53 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 1yiu n MET 3 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1yiu n GLY 4 N 0.10 2.46 3.76 3.03 0.00 -1.26 -5.00 105.19 108.27 1yiu n GLY 4 Ca 0.00 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 1yiu n GLY 4 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yiu s PRO 5 N -2.61 1.20 0.26 1.61 0.04 -1.26 -5.00 135.00 129.24 1yiu s PRO 5 Ca 0.00 0.46 -0.30 0.00 0.04 0.00 0.00 61.00 61.20 1yiu s PRO 5 Cb 0.00 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.62 1yiu s PRO 5 CO 0.00 -2.19 1.12 -0.51 0.04 0.00 0.00 177.00 175.46 1yiu s LEU 6 N -6.09 4.53 0.38 -3.56 2.01 -1.26 -4.97 118.68 109.73 1yiu s LEU 6 Ca 0.63 2.26 -0.26 0.00 0.01 0.00 0.00 54.13 56.78 1yiu s LEU 6 Cb -0.16 -3.62 -0.11 0.00 0.01 0.00 0.00 46.19 42.31 1yiu s LEU 6 CO 0.55 -0.19 1.10 -2.65 1.01 0.00 0.00 176.35 176.17 1yiu n PRO 7 N 1.46 1.59 -1.50 1.29 -0.01 -1.26 -4.63 135.00 131.93 1yiu n PRO 7 Ca -0.00 0.56 -0.35 0.00 -0.01 0.00 0.00 63.50 63.70 1yiu n PRO 7 Cb 0.45 -2.12 -0.17 0.00 -0.01 0.00 0.00 33.50 31.65 1yiu n PRO 7 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 1yiu n PRO 8 N 0.30 0.04 0.00 0.52 -0.02 -1.26 0.37 135.00 134.95 1yiu n PRO 8 Ca 0.08 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1yiu n PRO 8 Cb 0.37 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 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 6.21 1.05 3.91 -1.23 0.00 -1.26 -4.91 105.19 108.95 1yiu n GLY 9 Ca 0.65 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.85 3.35 -0.06 1.61 0.52 0.16 0.36 118.94 124.03 1yiu s TRP 10 Ca 0.00 0.75 -0.30 0.00 0.02 0.00 0.00 56.10 56.58 1yiu s TRP 10 Cb 0.00 -2.68 0.09 0.00 -1.15 0.00 0.00 33.47 29.74 1yiu s TRP 10 CO 0.00 -0.73 0.80 -2.00 0.02 0.00 0.00 176.95 175.03 1yiu s GLU 11 N -4.98 0.91 -0.61 4.98 2.56 -0.57 -4.69 118.70 116.30 1yiu s GLU 11 Ca 0.53 0.08 -0.21 0.00 0.00 0.00 0.00 54.97 55.38 1yiu s GLU 11 Cb -0.11 0.43 0.08 0.00 2.00 0.00 0.00 34.13 36.53 1yiu s GLU 11 CO 0.46 -0.31 0.80 0.15 -0.56 0.00 0.00 175.26 175.80 1yiu s LYS 12 N -1.65 3.09 0.32 4.30 1.02 -1.26 -1.18 119.74 124.37 1yiu s LYS 12 Ca -0.05 -1.04 0.08 0.00 0.02 0.00 0.00 55.97 54.99 1yiu s LYS 12 Cb -0.00 -4.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.04 1yiu s LYS 12 CO 0.03 -1.61 0.12 1.03 -0.92 0.00 0.00 175.35 174.00 1yiu s ARG 13 N 3.26 2.41 0.07 1.68 0.52 0.87 -4.94 118.95 122.83 1yiu s ARG 13 Ca 0.17 -1.47 0.07 0.00 -0.52 0.00 0.00 55.73 53.97 1yiu s ARG 13 Cb -0.20 -2.21 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 1yiu s ARG 13 CO 0.09 0.18 -0.14 0.95 0.02 0.00 0.00 175.30 176.40 1yiu s THR 14 N -2.38 3.11 0.00 0.02 -4.23 -1.26 -0.23 115.64 110.67 1yiu s THR 14 Ca 0.36 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 1yiu s THR 14 Cb -0.04 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.41 1yiu s THR 14 CO 0.22 0.21 0.00 -0.90 -0.54 0.00 0.00 174.62 173.62 1yiu n ASP 15 N 1.09 0.00 0.21 3.99 5.75 -0.51 -4.94 116.55 122.14 1yiu n ASP 15 Ca -0.15 -0.94 0.08 0.00 -0.01 0.00 0.00 54.79 53.78 1yiu n ASP 15 Cb 0.52 0.00 0.43 0.00 -1.03 0.00 0.00 41.12 41.04 1yiu n ASP 15 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1yiu h SER 16 N 0.00 0.00 0.15 -1.12 4.64 -2.01 -3.29 113.55 111.92 1yiu h SER 16 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 1yiu h SER 16 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1yiu h SER 16 CO 0.00 0.28 -2.05 -0.46 -0.87 0.00 0.00 176.83 173.72 1yiu n ASN 17 N -3.47 0.18 0.00 4.97 0.23 -1.26 -4.97 115.26 110.94 1yiu n ASN 17 Ca -0.00 0.08 0.00 0.00 -0.53 0.00 0.00 54.58 54.13 1yiu n ASN 17 Cb 0.45 1.15 0.00 0.00 -2.08 0.00 0.00 39.78 39.30 1yiu n ASN 17 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1yiu n GLY 18 N 1.51 1.01 3.88 4.83 0.00 -1.24 -5.13 105.19 110.05 1yiu n GLY 18 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 3.79 -0.24 1.61 0.52 -1.26 -4.86 118.95 118.51 1yiu s ARG 19 Ca 0.00 0.42 -0.08 0.00 -0.52 0.00 0.00 55.73 55.55 1yiu s ARG 19 Cb 0.00 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.98 1yiu s ARG 19 CO 0.00 0.05 0.10 0.14 0.02 0.00 0.00 175.30 175.61 1yiu s VAL 20 N -2.24 4.64 0.38 3.52 -7.23 -1.26 -1.42 120.40 116.79 1yiu s VAL 20 Ca 0.50 -0.06 0.05 0.00 -1.81 0.00 0.00 61.98 60.65 1yiu s VAL 20 Cb -0.10 -3.16 -0.06 0.00 0.56 0.00 0.00 36.38 33.61 1yiu s VAL 20 CO 0.28 0.34 0.04 -0.72 -0.31 0.00 0.00 175.10 174.74 1yiu s TYR 21 N 1.40 2.13 -0.21 2.82 -0.85 0.68 -4.93 117.35 118.38 1yiu s TYR 21 Ca 0.06 -0.89 -0.00 0.00 -0.52 0.00 0.00 57.07 55.71 1yiu s TYR 21 Cb -0.15 -1.48 0.02 0.00 0.38 0.00 0.00 41.96 40.73 1yiu s TYR 21 CO 0.05 0.15 -0.13 -0.06 -1.52 0.00 0.00 175.55 174.04 1yiu s PHE 22 N -3.05 2.92 -0.15 -3.49 0.40 0.96 -0.09 117.98 115.49 1yiu s PHE 22 Ca 0.32 -1.53 -0.13 0.00 -0.60 0.00 0.00 56.93 54.99 1yiu s PHE 22 Cb 0.08 -1.99 -0.05 0.00 0.51 0.00 0.00 43.02 41.57 1yiu s PHE 22 CO 0.15 -0.74 0.26 0.54 0.70 0.00 0.00 175.22 176.13 1yiu s VAL 23 N 1.32 5.32 -0.33 -0.44 0.11 -0.33 -1.40 120.40 124.65 1yiu s VAL 23 Ca 0.03 0.49 -0.12 0.00 -2.93 0.00 0.00 61.98 59.45 1yiu s VAL 23 Cb -0.15 -3.59 -0.02 0.00 -1.53 0.00 0.00 36.38 31.09 1yiu s VAL 23 CO -0.08 0.43 0.21 0.21 -3.33 0.00 0.00 175.10 172.54 1yiu s ASN 24 N 0.20 5.93 0.32 3.54 3.84 -0.32 -1.51 114.94 126.94 1yiu s ASN 24 Ca 0.16 -0.41 0.07 0.00 0.21 0.00 0.00 52.86 52.88 1yiu s ASN 24 Cb -0.13 -2.10 0.56 0.00 -0.55 0.00 0.00 41.25 39.03 1yiu s ASN 24 CO 0.04 -0.21 1.78 0.45 -2.79 0.00 0.00 177.10 176.37 1yiu h HIS 25 N 8.44 0.32 0.61 0.43 3.86 -0.42 0.30 115.15 128.69 1yiu h HIS 25 Ca -0.32 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 58.80 1yiu h HIS 25 Cb 1.16 -0.08 0.01 0.00 1.06 0.00 0.00 27.41 29.55 1yiu h HIS 25 CO 0.67 0.54 -0.29 -0.91 0.86 0.00 0.00 177.93 178.80 1yiu h ASN 26 N 0.26 -0.69 0.88 2.45 2.35 -1.91 -3.29 115.58 115.63 1yiu h ASN 26 Ca 0.04 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1yiu h ASN 26 Cb 0.63 0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.17 1yiu h ASN 26 CO 0.05 -0.35 -0.50 0.35 -1.65 0.00 0.00 177.43 175.32 1yiu n THR 27 N -4.98 0.31 -2.60 2.81 -2.24 -1.24 -4.93 114.28 101.40 1yiu n THR 27 Ca -0.10 -0.22 -0.15 0.00 -2.27 0.00 0.00 64.05 61.31 1yiu n THR 27 Cb 0.32 -0.14 0.01 0.00 -2.10 0.00 0.00 70.33 68.43 1yiu n THR 27 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1yiu n ARG 28 N -2.00 -2.61 -3.50 -0.78 5.12 0.10 -5.00 116.66 107.99 1yiu n ARG 28 Ca 0.04 0.66 -0.37 0.00 -1.93 0.00 0.00 57.85 56.25 1yiu n ARG 28 Cb 0.42 -4.96 -0.06 0.00 -1.16 0.00 0.00 32.46 26.69 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 -2.89 5.19 -0.67 0.55 -1.09 -1.06 -4.87 121.20 116.36 1yiu s ILE 29 Ca 0.13 0.72 -0.16 0.00 -2.23 0.00 0.00 60.65 59.11 1yiu s ILE 29 Cb -0.06 -3.68 0.15 0.00 -1.58 0.00 0.00 42.46 37.29 1yiu s ILE 29 CO 0.17 0.47 0.67 -0.89 -1.23 0.00 0.00 174.94 174.12 1yiu s THR 30 N -0.20 5.22 0.22 2.92 2.01 -1.26 -1.18 115.64 123.37 1yiu s THR 30 Ca 0.21 -1.69 0.05 0.00 0.31 0.00 0.00 61.69 60.57 1yiu s THR 30 Cb -0.15 -4.44 -0.03 0.00 0.01 0.00 0.00 72.50 67.89 1yiu s THR 30 CO 0.09 -1.02 0.30 -1.58 -0.69 0.00 0.00 174.62 171.71 1yiu s GLN 31 N 1.47 3.30 -0.08 4.92 0.74 -0.49 -4.95 119.66 124.58 1yiu s GLN 31 Ca 0.12 -0.80 0.07 0.00 0.05 0.00 0.00 55.36 54.80 1yiu s GLN 31 Cb -0.21 -2.82 -0.10 0.00 1.10 0.00 0.00 33.01 30.98 1yiu s GLN 31 CO -0.01 0.45 0.04 0.91 -0.55 0.00 0.00 175.29 176.13 1yiu n TRP 32 N -1.13 0.00 -2.16 1.67 7.02 -1.26 -0.03 117.44 121.56 1yiu n TRP 32 Ca -0.08 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 55.99 1yiu n TRP 32 Cb 0.56 -0.39 -0.02 0.00 -2.42 0.00 0.00 31.31 29.04 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 -2.23 4.39 -0.21 -0.99 8.01 -1.26 -4.70 118.70 121.71 1yiu s GLU 33 Ca -0.04 2.17 -0.29 0.00 0.01 0.00 0.00 54.97 56.82 1yiu s GLU 33 Cb 0.03 -3.08 0.01 0.00 -4.31 0.00 0.00 34.13 26.77 1yiu s GLU 33 CO 0.33 -0.14 1.04 0.34 0.01 0.00 0.00 175.26 176.84 1yiu s ASP 34 N -0.54 7.12 0.43 -0.19 2.15 -1.26 -4.80 116.67 119.58 1yiu s ASP 34 Ca 0.48 1.40 0.24 0.00 0.43 0.00 0.00 52.55 55.10 1yiu s ASP 34 Cb -0.39 -2.54 0.58 0.00 -0.30 0.00 0.00 42.92 40.27 1yiu s ASP 34 CO 0.51 -0.64 1.69 -0.65 -0.17 0.00 0.00 175.17 175.91 1yiu h PRO 35 N 7.41 0.00 -1.57 4.34 0.11 -2.00 -3.30 132.00 136.99 1yiu h PRO 35 Ca -0.21 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.47 1yiu h PRO 35 Cb 1.07 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.01 1yiu h PRO 35 CO 0.96 0.14 0.51 0.54 -0.21 0.00 0.00 178.00 179.94 1yiu n ARG 36 N -3.17 2.12 0.00 1.05 3.00 -1.26 -5.00 116.66 113.40 1yiu n ARG 36 Ca 0.02 -2.09 0.08 0.00 -0.01 0.00 0.00 57.85 55.86 1yiu n ARG 36 Cb 0.51 -1.87 0.07 0.00 0.00 0.00 0.00 32.46 31.17 1yiu n ARG 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08