#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 2.87 0.00 4.61 0.00 -1.26 -4.64 121.76 123.34 1yiu s ALA 2 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1yiu s ALA 2 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 18.97 1yiu s ALA 2 CO 0.00 -3.01 0.00 -1.33 0.00 0.00 0.00 175.76 171.42 1yiu n MET 3 N 8.92 0.00 0.00 0.00 0.00 -1.26 -4.75 117.12 120.03 1yiu n MET 3 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.75 1yiu n MET 3 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.71 1yiu n MET 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1yiu n GLY 4 N 0.00 1.26 3.61 3.03 0.00 -1.26 -5.06 105.19 106.76 1yiu n GLY 4 Ca 0.00 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 1yiu n GLY 4 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1yiu n PRO 5 N 1.43 1.29 -2.12 1.61 -0.02 -1.26 -5.00 135.00 130.93 1yiu n PRO 5 Ca 0.00 0.47 -0.30 0.00 -2.02 0.00 0.00 63.50 61.65 1yiu n PRO 5 Cb 0.00 -2.06 0.01 0.00 -0.02 0.00 0.00 33.50 31.43 1yiu n PRO 5 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1yiu s LEU 6 N -0.69 3.35 0.44 2.45 2.01 -1.26 -5.00 118.68 119.98 1yiu s LEU 6 Ca 0.65 1.26 -0.24 0.00 0.01 0.00 0.00 54.13 55.81 1yiu s LEU 6 Cb -0.54 -4.28 -0.10 0.00 0.01 0.00 0.00 46.19 41.29 1yiu s LEU 6 CO 0.56 -0.78 1.08 -0.81 1.01 0.00 0.00 176.35 177.40 1yiu n PRO 7 N -2.60 1.46 -1.45 1.29 -0.04 -1.26 -4.77 135.00 127.63 1yiu n PRO 7 Ca 0.04 0.52 -0.47 0.00 -0.04 0.00 0.00 63.50 63.55 1yiu n PRO 7 Cb 0.54 -2.14 -0.08 0.00 -0.04 0.00 0.00 33.50 31.78 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 0.01 0.78 0.00 0.54 -0.02 -1.26 -0.09 135.00 134.96 1yiu n PRO 8 Ca 0.09 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1yiu n PRO 8 Cb 0.40 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 6.54 2.01 3.99 -1.23 0.00 -1.26 -5.01 105.19 110.23 1yiu n GLY 9 Ca 0.46 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.89 3.06 -0.08 1.61 0.52 0.87 -0.11 118.94 122.93 1yiu s TRP 10 Ca 0.00 -0.18 -0.30 0.00 0.02 0.00 0.00 56.10 55.65 1yiu s TRP 10 Cb 0.00 -2.15 0.11 0.00 -1.15 0.00 0.00 33.47 30.29 1yiu s TRP 10 CO 0.00 -0.18 0.93 -2.00 0.02 0.00 0.00 176.95 175.72 1yiu s GLU 11 N -4.29 0.72 -0.75 4.98 2.56 -0.80 -4.67 118.70 116.45 1yiu s GLU 11 Ca 0.48 -0.07 -0.18 0.00 0.00 0.00 0.00 54.97 55.19 1yiu s GLU 11 Cb -0.10 0.34 0.13 0.00 2.00 0.00 0.00 34.13 36.50 1yiu s GLU 11 CO 0.33 -0.28 0.88 0.15 -0.56 0.00 0.00 175.26 175.78 1yiu s LYS 12 N -2.12 3.33 0.35 4.30 1.02 -1.25 -0.63 119.74 124.73 1yiu s LYS 12 Ca 0.01 -1.61 0.05 0.00 0.02 0.00 0.00 55.97 54.43 1yiu s LYS 12 Cb -0.01 -4.50 0.06 0.00 -0.52 0.00 0.00 37.83 32.87 1yiu s LYS 12 CO -0.03 -1.60 0.49 0.54 -0.92 0.00 0.00 175.35 173.82 1yiu n ARG 13 N 6.12 0.66 -4.53 1.68 3.00 -0.06 -4.84 116.66 118.70 1yiu n ARG 13 Ca 0.06 -1.76 -0.24 0.00 -0.01 0.00 0.00 57.85 55.90 1yiu n ARG 13 Cb 0.46 -0.19 -0.16 0.00 0.00 0.00 0.00 32.46 32.57 1yiu n ARG 13 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1yiu s THR 14 N -1.20 1.04 0.97 0.55 -4.23 -1.26 -0.54 115.64 110.98 1yiu s THR 14 Ca 0.36 -0.44 -0.16 0.00 -1.18 0.00 0.00 61.69 60.27 1yiu s THR 14 Cb -0.03 -0.95 0.21 0.00 1.34 0.00 0.00 72.50 73.07 1yiu s THR 14 CO 0.23 0.33 1.32 -1.81 -0.54 0.00 0.00 174.62 174.15 1yiu s ASP 15 N 0.56 3.01 0.00 3.99 1.11 -0.79 -4.94 116.67 119.61 1yiu s ASP 15 Ca -0.12 0.27 0.23 0.00 0.18 0.00 0.00 52.55 53.11 1yiu s ASP 15 Cb -0.14 -0.31 1.24 0.00 1.07 0.00 0.00 42.92 44.78 1yiu s ASP 15 CO 0.03 -2.80 1.74 -1.54 1.18 0.00 0.00 175.17 173.77 1yiu n SER 16 N -3.81 0.00 -0.76 0.27 3.41 -1.26 -2.40 113.62 109.06 1yiu n SER 16 Ca 0.15 -0.33 0.11 0.00 -0.26 0.00 0.00 58.87 58.54 1yiu n SER 16 Cb 0.59 -0.16 0.07 0.00 -0.26 0.00 0.00 64.21 64.45 1yiu n SER 16 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1yiu n ASN 17 N -1.16 2.57 0.00 4.04 0.23 -1.26 -4.95 115.26 114.73 1yiu n ASN 17 Ca 0.13 -1.79 0.00 0.00 -0.53 0.00 0.00 54.58 52.40 1yiu n ASN 17 Cb 0.14 0.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 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 1.24 0.68 3.75 4.83 0.00 -1.01 -5.06 105.19 109.62 1yiu n GLY 18 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.74 1.97 -0.27 1.61 0.52 -1.26 -4.82 118.95 115.95 1yiu s ARG 19 Ca 0.00 1.16 0.03 0.00 -0.52 0.00 0.00 55.73 56.41 1yiu s ARG 19 Cb 0.00 -1.86 0.07 0.00 0.52 0.00 0.00 34.95 33.67 1yiu s ARG 19 CO 0.00 -1.85 -0.08 0.14 0.02 0.00 0.00 175.30 173.53 1yiu s VAL 20 N -2.88 2.18 0.20 3.52 -7.23 -1.26 -1.88 120.40 113.06 1yiu s VAL 20 Ca 0.62 -1.76 0.05 0.00 -1.81 0.00 0.00 61.98 59.09 1yiu s VAL 20 Cb -0.18 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1yiu s VAL 20 CO 0.56 -0.13 0.21 -0.72 -0.31 0.00 0.00 175.10 174.71 1yiu s TYR 21 N 1.07 3.22 -0.39 2.82 -0.85 0.30 -4.86 117.35 118.66 1yiu s TYR 21 Ca -0.05 -0.03 -0.13 0.00 -0.52 0.00 0.00 57.07 56.33 1yiu s TYR 21 Cb -0.20 -1.50 0.02 0.00 0.38 0.00 0.00 41.96 40.66 1yiu s TYR 21 CO -0.06 0.51 0.25 -0.06 -1.52 0.00 0.00 175.55 174.67 1yiu s PHE 22 N -1.92 3.24 -0.22 -3.49 0.40 0.87 -0.88 117.98 115.98 1yiu s PHE 22 Ca 0.33 -0.70 -0.07 0.00 -0.60 0.00 0.00 56.93 55.88 1yiu s PHE 22 Cb -0.09 -2.51 -0.03 0.00 0.51 0.00 0.00 43.02 40.90 1yiu s PHE 22 CO 0.25 -0.59 0.06 0.54 0.70 0.00 0.00 175.22 176.19 1yiu s VAL 23 N 1.63 4.44 -0.26 -0.44 0.11 0.20 -0.34 120.40 125.74 1yiu s VAL 23 Ca 0.04 -0.14 -0.17 0.00 -2.93 0.00 0.00 61.98 58.78 1yiu s VAL 23 Cb -0.19 -3.04 -0.03 0.00 -1.53 0.00 0.00 36.38 31.59 1yiu s VAL 23 CO 0.09 0.39 0.47 0.21 -3.33 0.00 0.00 175.10 172.93 1yiu s ASN 24 N 1.09 6.38 0.45 3.54 3.84 0.12 -1.91 114.94 128.45 1yiu s ASN 24 Ca 0.04 0.46 0.25 0.00 0.21 0.00 0.00 52.86 53.81 1yiu s ASN 24 Cb -0.14 -2.26 0.58 0.00 -0.55 0.00 0.00 41.25 38.88 1yiu s ASN 24 CO 0.03 -0.25 1.69 0.45 -2.79 0.00 0.00 177.10 176.23 1yiu h HIS 25 N 8.04 0.00 0.01 0.43 3.86 -0.84 0.68 115.15 127.33 1yiu h HIS 25 Ca -0.30 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.91 1yiu h HIS 25 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 1yiu h HIS 25 CO 0.75 0.08 -0.01 -0.97 0.86 0.00 0.00 177.93 178.64 1yiu h ASN 26 N 0.00 -0.02 -0.02 2.45 -1.24 -1.93 -3.36 115.58 111.47 1yiu h ASN 26 Ca -0.00 -0.75 0.00 0.00 0.71 0.00 0.00 56.30 56.26 1yiu h ASN 26 Cb 0.92 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.97 1yiu h ASN 26 CO 0.01 0.77 -0.24 0.35 -1.29 0.00 0.00 177.43 177.03 1yiu n THR 27 N -4.72 0.00 -3.57 -3.57 -2.24 -1.25 -4.97 114.28 93.96 1yiu n THR 27 Ca -0.09 -0.38 -0.23 0.00 -2.27 0.00 0.00 64.05 61.08 1yiu n THR 27 Cb 0.37 1.26 0.08 0.00 -2.10 0.00 0.00 70.33 69.94 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 0.27 -7.77 -3.42 -0.78 3.00 0.20 -4.97 116.66 103.19 1yiu n ARG 28 Ca 0.08 0.81 -0.40 0.00 -0.01 0.00 0.00 57.85 58.33 1yiu n ARG 28 Cb 0.39 -5.79 -0.09 0.00 0.00 0.00 0.00 32.46 26.96 1yiu n ARG 28 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1yiu s ILE 29 N -3.31 5.19 -0.74 0.55 -1.09 -1.04 -4.88 121.20 115.87 1yiu s ILE 29 Ca 0.57 0.29 -0.18 0.00 -2.23 0.00 0.00 60.65 59.10 1yiu s ILE 29 Cb -0.25 -3.72 0.13 0.00 -1.58 0.00 0.00 42.46 37.04 1yiu s ILE 29 CO 0.71 0.07 0.86 -0.89 -1.23 0.00 0.00 174.94 174.45 1yiu s THR 30 N 2.01 4.91 0.10 2.92 2.01 -1.26 -0.70 115.64 125.62 1yiu s THR 30 Ca 0.12 -1.41 0.01 0.00 0.31 0.00 0.00 61.69 60.72 1yiu s THR 30 Cb -0.16 -4.59 -0.04 0.00 0.01 0.00 0.00 72.50 67.72 1yiu s THR 30 CO 0.11 -1.25 0.25 -1.58 -0.69 0.00 0.00 174.62 171.46 1yiu s GLN 31 N 2.30 3.45 -0.01 4.92 0.74 0.54 -4.93 119.66 126.68 1yiu s GLN 31 Ca 0.20 -0.47 0.17 0.00 0.05 0.00 0.00 55.36 55.31 1yiu s GLN 31 Cb -0.15 -3.00 -0.23 0.00 1.10 0.00 0.00 33.01 30.73 1yiu s GLN 31 CO -0.01 0.56 0.58 0.91 -0.55 0.00 0.00 175.29 176.79 1yiu n TRP 32 N -0.03 0.00 -3.19 1.67 7.02 -1.26 -0.09 117.44 121.56 1yiu n TRP 32 Ca -0.05 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.04 1yiu n TRP 32 Cb 0.52 -0.17 -0.06 0.00 -2.42 0.00 0.00 31.31 29.18 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 -2.89 4.28 -0.27 -0.99 0.41 -1.26 -4.82 118.70 113.16 1yiu s GLU 33 Ca 0.01 0.83 -0.29 0.00 -0.41 0.00 0.00 54.97 55.11 1yiu s GLU 33 Cb 0.12 -3.18 0.01 0.00 -1.78 0.00 0.00 34.13 29.30 1yiu s GLU 33 CO 0.72 0.58 1.13 0.34 -0.49 0.00 0.00 175.26 177.54 1yiu s ASP 34 N -1.23 6.95 0.05 -0.19 2.15 -1.26 -4.82 116.67 118.31 1yiu s ASP 34 Ca 0.33 1.27 0.28 0.00 0.43 0.00 0.00 52.55 54.86 1yiu s ASP 34 Cb -0.20 -2.54 1.03 0.00 -0.30 0.00 0.00 42.92 40.91 1yiu s ASP 34 CO 0.21 -0.83 1.81 -2.65 -0.17 0.00 0.00 175.17 173.54 1yiu n PRO 35 N 6.73 0.07 -1.00 4.34 -0.02 -1.26 -4.40 135.00 139.46 1yiu n PRO 35 Ca 0.13 0.05 -0.13 0.00 -2.02 0.00 0.00 63.50 61.53 1yiu n PRO 35 Cb 0.46 -1.58 -0.12 0.00 -0.02 0.00 0.00 33.50 32.24 1yiu n PRO 35 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1yiu n ARG 36 N -1.70 1.92 0.00 -0.52 1.74 -1.26 -4.94 116.66 111.90 1yiu n ARG 36 Ca 0.06 -1.09 0.12 0.00 -0.77 0.00 0.00 57.85 56.18 1yiu n ARG 36 Cb 0.36 -1.87 0.20 0.00 -1.02 0.00 0.00 32.46 30.14 1yiu n ARG 36 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98