#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 2.35 -2.87 4.61 0.00 -1.26 -4.86 120.51 118.49 1yiu n ALA 2 Ca 0.00 -1.49 -0.31 0.00 0.00 0.00 0.00 53.44 51.65 1yiu n ALA 2 Cb 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 1yiu n ALA 2 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1yiu s MET 3 N -1.55 3.24 0.00 0.00 1.00 -1.26 -5.03 119.30 115.70 1yiu s MET 3 Ca 0.25 -0.54 0.00 0.00 0.00 0.00 0.00 55.69 55.40 1yiu s MET 3 Cb 0.17 -2.92 0.00 0.00 0.00 0.00 0.00 34.83 32.07 1yiu s MET 3 CO 0.11 0.59 0.00 0.41 0.00 0.00 0.00 175.02 176.13 1yiu n GLY 4 N 0.33 3.46 3.37 -0.03 0.00 -1.26 -5.08 105.19 105.98 1yiu n GLY 4 Ca -0.06 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 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 0.18 0.29 -2.13 1.61 -0.02 -1.26 -4.95 135.00 128.72 1yiu n PRO 5 Ca 0.00 0.12 -0.36 0.00 -2.02 0.00 0.00 63.50 61.24 1yiu n PRO 5 Cb 0.00 -1.44 0.02 0.00 -0.02 0.00 0.00 33.50 32.06 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 2.41 3.74 0.18 2.45 2.01 -1.26 -4.93 118.68 123.28 1yiu s LEU 6 Ca 0.63 2.32 -0.33 0.00 0.01 0.00 0.00 54.13 56.76 1yiu s LEU 6 Cb -0.45 -4.54 -0.15 0.00 0.01 0.00 0.00 46.19 41.06 1yiu s LEU 6 CO 0.60 -1.37 1.20 -0.81 1.01 0.00 0.00 176.35 176.97 1yiu n PRO 7 N -1.33 1.27 -1.51 1.29 -0.04 -1.26 -4.58 135.00 128.84 1yiu n PRO 7 Ca 0.12 0.45 -0.38 0.00 -0.04 0.00 0.00 63.50 63.65 1yiu n PRO 7 Cb 0.50 -1.97 -0.14 0.00 -0.04 0.00 0.00 33.50 31.84 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 1.80 0.13 0.00 0.54 -0.02 -1.26 0.42 135.00 136.61 1yiu n PRO 8 Ca 0.15 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1yiu n PRO 8 Cb 0.25 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 6.33 1.33 3.94 -1.23 0.00 -1.26 -4.96 105.19 109.35 1yiu n GLY 9 Ca 0.63 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.90 3.18 -0.06 1.61 0.52 0.17 0.34 118.94 123.81 1yiu s TRP 10 Ca 0.00 0.32 -0.30 0.00 0.02 0.00 0.00 56.10 56.14 1yiu s TRP 10 Cb 0.00 -2.50 0.08 0.00 -1.15 0.00 0.00 33.47 29.90 1yiu s TRP 10 CO 0.00 -0.57 0.75 -2.00 0.02 0.00 0.00 176.95 175.15 1yiu s GLU 11 N -4.72 0.96 -0.62 4.98 2.12 0.27 -4.65 118.70 117.04 1yiu s GLU 11 Ca 0.51 0.17 -0.17 0.00 0.36 0.00 0.00 54.97 55.84 1yiu s GLU 11 Cb -0.10 0.45 0.13 0.00 0.26 0.00 0.00 34.13 34.88 1yiu s GLU 11 CO 0.40 -0.31 0.64 0.15 -0.54 0.00 0.00 175.26 175.60 1yiu s LYS 12 N -1.41 3.13 0.26 4.30 1.02 -1.26 -0.59 119.74 125.18 1yiu s LYS 12 Ca -0.08 -1.69 0.07 0.00 0.02 0.00 0.00 55.97 54.29 1yiu s LYS 12 Cb -0.00 -4.33 -0.03 0.00 -0.52 0.00 0.00 37.83 32.94 1yiu s LYS 12 CO 0.06 -1.42 0.21 1.03 -0.92 0.00 0.00 175.35 174.31 1yiu s ARG 13 N 1.81 2.95 -0.01 1.68 0.52 0.59 -4.92 118.95 121.56 1yiu s ARG 13 Ca 0.09 -1.05 -0.12 0.00 -0.52 0.00 0.00 55.73 54.14 1yiu s ARG 13 Cb -0.24 -2.58 -0.05 0.00 0.52 0.00 0.00 34.95 32.60 1yiu s ARG 13 CO 0.02 0.39 0.34 0.95 0.02 0.00 0.00 175.30 177.02 1yiu s THR 14 N -2.13 5.15 0.65 0.02 -4.23 -1.26 -0.66 115.64 113.18 1yiu s THR 14 Ca 0.33 0.62 0.01 0.00 -1.18 0.00 0.00 61.69 61.48 1yiu s THR 14 Cb -0.08 -3.63 0.09 0.00 1.34 0.00 0.00 72.50 70.23 1yiu s THR 14 CO 0.25 0.54 0.90 -0.62 -0.54 0.00 0.00 174.62 175.15 1yiu s ASP 15 N -1.19 4.72 0.33 3.99 2.15 0.91 -4.88 116.67 122.70 1yiu s ASP 15 Ca 0.23 -0.33 0.05 0.00 0.43 0.00 0.00 52.55 52.94 1yiu s ASP 15 Cb -0.15 -0.23 0.57 0.00 -0.30 0.00 0.00 42.92 42.81 1yiu s ASP 15 CO 0.12 -1.58 1.82 0.77 -0.17 0.00 0.00 175.17 176.14 1yiu h SER 16 N -0.25 0.41 -0.42 -0.34 4.64 -1.99 -2.06 113.55 113.54 1yiu h SER 16 Ca -0.37 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1yiu h SER 16 Cb 1.28 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1yiu h SER 16 CO 0.44 0.58 0.00 -3.20 -0.87 0.00 0.00 176.83 173.78 1yiu n ASN 17 N -4.21 2.89 0.00 4.97 5.15 -1.26 -4.87 115.26 117.92 1yiu n ASN 17 Ca 0.00 -2.18 0.00 0.00 -0.60 0.00 0.00 54.58 51.80 1yiu n ASN 17 Cb 0.31 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.16 1yiu n ASN 17 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1yiu n GLY 18 N 0.96 1.04 1.73 8.20 0.00 -0.77 -5.03 105.19 111.33 1yiu n GLY 18 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 1yiu n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yiu n ARG 19 N -2.00 -1.64 -4.01 1.61 1.74 -1.26 -4.65 116.66 106.45 1yiu n ARG 19 Ca 0.00 -0.88 -0.23 0.00 -0.77 0.00 0.00 57.85 55.97 1yiu n ARG 19 Cb 0.00 -0.75 -0.17 0.00 -1.02 0.00 0.00 32.46 30.52 1yiu n ARG 19 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1yiu s VAL 20 N -2.08 0.63 0.37 1.55 -7.23 -1.26 -0.06 120.40 112.32 1yiu s VAL 20 Ca 0.35 -0.10 0.08 0.00 -1.81 0.00 0.00 61.98 60.50 1yiu s VAL 20 Cb -0.03 -0.69 -0.07 0.00 0.56 0.00 0.00 36.38 36.16 1yiu s VAL 20 CO 0.26 0.28 -0.03 -0.72 -0.31 0.00 0.00 175.10 174.58 1yiu s TYR 21 N 1.42 2.48 -0.29 2.82 -0.85 0.16 -4.92 117.35 118.16 1yiu s TYR 21 Ca -0.03 -0.56 -0.05 0.00 -0.52 0.00 0.00 57.07 55.92 1yiu s TYR 21 Cb -0.13 -1.57 0.02 0.00 0.38 0.00 0.00 41.96 40.66 1yiu s TYR 21 CO -0.03 0.50 0.04 -0.06 -1.52 0.00 0.00 175.55 174.48 1yiu s PHE 22 N -2.63 3.16 -0.09 -3.49 0.40 0.85 -0.30 117.98 115.88 1yiu s PHE 22 Ca 0.34 -1.30 -0.06 0.00 -0.60 0.00 0.00 56.93 55.31 1yiu s PHE 22 Cb 0.05 -2.20 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 1yiu s PHE 22 CO 0.18 -0.67 0.15 0.54 0.70 0.00 0.00 175.22 176.12 1yiu s VAL 23 N 1.41 5.49 -0.24 -0.44 0.11 0.24 -0.93 120.40 126.04 1yiu s VAL 23 Ca 0.00 0.14 -0.04 0.00 -2.93 0.00 0.00 61.98 59.16 1yiu s VAL 23 Cb -0.18 -3.43 0.01 0.00 -1.53 0.00 0.00 36.38 31.24 1yiu s VAL 23 CO 0.01 0.56 -0.02 0.21 -3.33 0.00 0.00 175.10 172.52 1yiu s ASN 24 N -1.23 4.46 0.42 3.54 3.84 0.68 -0.57 114.94 126.09 1yiu s ASN 24 Ca 0.18 -0.62 0.23 0.00 0.21 0.00 0.00 52.86 52.86 1yiu s ASN 24 Cb -0.12 -1.74 0.37 0.00 -0.55 0.00 0.00 41.25 39.21 1yiu s ASN 24 CO 0.07 -0.09 1.61 0.45 -2.79 0.00 0.00 177.10 176.35 1yiu h HIS 25 N 8.10 0.00 0.00 0.43 3.86 -0.43 -1.78 115.15 125.33 1yiu h HIS 25 Ca -0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 1yiu h HIS 25 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1yiu h HIS 25 CO 0.59 0.00 -0.06 -0.91 0.86 0.00 0.00 177.93 178.41 1yiu h ASN 26 N 0.00 0.00 0.04 2.45 2.35 -1.93 -3.38 115.58 115.10 1yiu h ASN 26 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1yiu h ASN 26 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1yiu h ASN 26 CO 0.00 0.35 -0.18 1.07 -1.65 0.00 0.00 177.43 177.02 1yiu n THR 27 N -3.80 0.00 -2.83 2.81 5.66 -1.26 -4.99 114.28 109.87 1yiu n THR 27 Ca -0.01 -0.29 -0.03 0.00 -3.05 0.00 0.00 64.05 60.67 1yiu n THR 27 Cb 0.03 0.94 0.01 0.00 -1.55 0.00 0.00 70.33 69.76 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 0.25 -1.26 -5.01 1.09 5.12 -0.69 -5.05 116.66 111.12 1yiu n ARG 28 Ca 0.14 1.20 -0.29 0.00 -1.93 0.00 0.00 57.85 56.96 1yiu n ARG 28 Cb 0.45 -5.05 -0.17 0.00 -1.16 0.00 0.00 32.46 26.53 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 -3.07 1.75 -0.56 0.55 -1.09 -1.08 -4.93 121.20 112.76 1yiu s ILE 29 Ca 0.08 -0.85 -0.06 0.00 -2.23 0.00 0.00 60.65 57.59 1yiu s ILE 29 Cb -0.01 -1.52 0.15 0.00 -1.58 0.00 0.00 42.46 39.49 1yiu s ILE 29 CO 0.62 0.49 0.41 -0.89 -1.23 0.00 0.00 174.94 174.34 1yiu s THR 30 N 0.35 4.04 0.47 2.92 2.01 -1.26 -0.23 115.64 123.95 1yiu s THR 30 Ca -0.15 -2.36 0.08 0.00 0.31 0.00 0.00 61.69 59.57 1yiu s THR 30 Cb -0.16 -3.64 0.03 0.00 0.01 0.00 0.00 72.50 68.73 1yiu s THR 30 CO 0.06 -0.83 0.58 -1.10 -0.69 0.00 0.00 174.62 172.64 1yiu s GLN 31 N 0.64 2.59 0.00 4.92 -0.21 -0.10 -4.92 119.66 122.58 1yiu s GLN 31 Ca 0.12 -1.46 0.00 0.00 0.02 0.00 0.00 55.36 54.04 1yiu s GLN 31 Cb -0.21 -2.60 0.00 0.00 1.00 0.00 0.00 33.01 31.19 1yiu s GLN 31 CO -0.03 -0.43 0.79 0.91 -2.12 0.00 0.00 175.29 174.40 1yiu n TRP 32 N -1.88 0.00 -3.85 0.91 7.02 -1.26 -0.10 117.44 118.27 1yiu n TRP 32 Ca 0.08 -0.30 -0.37 0.00 -1.02 0.00 0.00 57.50 55.90 1yiu n TRP 32 Cb 0.61 -0.03 -0.06 0.00 -2.42 0.00 0.00 31.31 29.41 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 -0.59 3.50 -0.31 -0.99 0.41 -1.26 -4.84 118.70 114.61 1yiu s GLU 33 Ca 0.00 -0.10 -0.26 0.00 -0.41 0.00 0.00 54.97 54.20 1yiu s GLU 33 Cb 0.00 -3.20 0.01 0.00 -1.78 0.00 0.00 34.13 29.16 1yiu s GLU 33 CO 0.00 0.76 0.92 0.34 -0.49 0.00 0.00 175.26 176.79 1yiu s ASP 34 N -0.98 6.79 0.09 -0.19 -1.08 -1.26 -4.78 116.67 115.25 1yiu s ASP 34 Ca 0.15 0.83 0.26 0.00 -0.52 0.00 0.00 52.55 53.28 1yiu s ASP 34 Cb -0.12 -2.47 1.03 0.00 -1.46 0.00 0.00 42.92 39.89 1yiu s ASP 34 CO 0.04 -0.74 1.83 -2.65 0.52 0.00 0.00 175.17 174.17 1yiu n PRO 35 N 6.52 0.10 -1.22 4.34 -0.02 -1.26 -4.52 135.00 138.93 1yiu n PRO 35 Ca 0.08 0.12 -0.24 0.00 -2.02 0.00 0.00 63.50 61.44 1yiu n PRO 35 Cb 0.48 -1.62 -0.10 0.00 -0.02 0.00 0.00 33.50 32.23 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 -1.80 2.75 0.00 -0.52 1.74 -1.26 -4.96 116.66 112.60 1yiu n ARG 36 Ca 0.06 -1.69 0.00 0.00 -0.77 0.00 0.00 57.85 55.45 1yiu n ARG 36 Cb 0.35 -2.30 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 1yiu n ARG 36 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54