#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1niy s LEU 3 N 0.00 3.23 0.00 0.00 1.43 0.30 -4.82 118.68 118.82 1niy s LEU 3 Ca 0.29 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 53.05 1niy s LEU 3 Cb 0.00 -1.89 0.26 0.00 0.03 0.00 0.00 46.19 44.60 1niy s LEU 3 CO 0.21 0.26 1.21 0.61 0.23 0.00 0.00 176.35 178.87 1niy n GLY 4 N 1.31 -2.13 3.74 -3.19 0.00 -1.26 -2.11 105.19 101.54 1niy n GLY 4 Ca -0.14 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 1niy n GLY 4 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1niy s PHE 5 N -3.45 3.53 -0.80 1.61 5.36 -1.26 -3.37 117.98 119.59 1niy s PHE 5 Ca 0.73 1.54 -0.05 0.00 -0.96 0.00 0.00 56.93 58.19 1niy s PHE 5 Cb -0.04 -3.33 0.01 0.00 -0.34 0.00 0.00 43.02 39.31 1niy s PHE 5 CO 0.54 -0.83 0.65 0.41 -1.46 0.00 0.00 175.22 174.53 1niy n GLY 6 N 2.05 0.07 3.45 13.12 0.00 -0.03 -4.93 105.19 118.92 1niy n GLY 6 Ca 0.03 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 1niy n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1niy s LYS 7 N -5.70 1.63 -0.07 1.61 -0.14 -1.22 -4.82 119.74 111.02 1niy s LYS 7 Ca 0.32 -1.33 -0.36 0.00 -1.36 0.00 0.00 55.97 53.24 1niy s LYS 7 Cb -0.14 -1.98 -0.14 0.00 -1.68 0.00 0.00 37.83 33.89 1niy s LYS 7 CO 0.40 0.44 1.72 0.41 -0.76 0.00 0.00 175.35 177.56 1niy n GLY 8 N 0.60 1.11 3.22 -3.33 0.00 -1.26 -1.92 105.19 103.61 1niy n GLY 8 Ca -0.15 0.82 -0.13 0.00 0.00 0.00 0.00 46.02 46.56 1niy n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1niy s ASN 10 N -0.52 6.94 0.29 0.00 0.01 -1.26 -3.36 114.94 117.03 1niy s ASN 10 Ca -0.06 1.12 0.05 0.00 -0.71 0.00 0.00 52.86 53.25 1niy s ASN 10 Cb -0.04 -2.33 0.46 0.00 0.41 0.00 0.00 41.25 39.75 1niy s ASN 10 CO 0.02 0.20 1.72 1.55 -1.51 0.00 0.00 177.10 179.07 1niy h PRO 11 N 5.20 0.33 -0.19 -0.60 0.13 -1.91 0.52 132.00 135.47 1niy h PRO 11 Ca -0.47 -0.14 -0.19 0.00 -0.87 0.00 0.00 66.00 64.32 1niy h PRO 11 Cb 1.21 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1niy h PRO 11 CO 0.67 0.63 -0.63 1.03 -0.23 0.00 0.00 178.00 179.47 1niy h SER 12 N 0.28 0.88 0.20 1.44 0.87 -1.93 -3.31 113.55 111.99 1niy h SER 12 Ca 0.03 -0.59 -0.29 0.00 -1.23 0.00 0.00 61.79 59.71 1niy h SER 12 Cb 0.74 -0.26 0.03 0.00 -0.44 0.00 0.00 62.40 62.47 1niy h SER 12 CO 0.06 1.32 -1.33 0.78 -0.53 0.00 0.00 176.83 177.13 1niy h ASN 13 N 0.49 0.67 -5.78 6.23 4.21 -1.95 -3.49 115.58 115.96 1niy h ASN 13 Ca -0.02 -0.93 -0.15 0.00 1.21 0.00 0.00 56.30 56.41 1niy h ASN 13 Cb 1.25 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 38.24 1niy h ASN 13 CO 0.13 1.63 -0.55 -0.67 -1.29 0.00 0.00 177.43 176.69 1niy n ASP 14 N -3.83 -6.96 -1.81 5.81 2.03 0.18 -4.91 116.55 107.05 1niy n ASP 14 Ca -0.18 -0.05 -0.13 0.00 0.52 0.00 0.00 54.79 54.95 1niy n ASP 14 Cb 1.01 -4.11 0.22 0.00 -0.72 0.00 0.00 41.12 37.51 1niy n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1niy n GLN 15 N -1.20 2.50 -1.69 -0.67 6.02 -1.26 -4.95 117.38 116.13 1niy n GLN 15 Ca -0.03 -3.07 -0.33 0.00 -0.01 0.00 0.00 57.00 53.56 1niy n GLN 15 Cb 0.55 -2.07 0.05 0.00 1.02 0.00 0.00 30.24 29.79 1niy n GLN 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1niy h LYS 18 N 9.95 0.06 -0.37 0.00 1.79 -1.92 -2.49 116.57 123.59 1niy h LYS 18 Ca -0.27 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.17 1niy h LYS 18 Cb 1.10 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.74 1niy h LYS 18 CO 1.05 0.55 0.24 0.77 -1.08 0.00 0.00 179.45 180.98 1niy h SER 19 N 0.05 0.41 -0.69 0.86 0.02 -1.95 -1.27 113.55 110.97 1niy h SER 19 Ca -0.00 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 1niy h SER 19 Cb 0.91 -0.10 -0.08 0.00 0.14 0.00 0.00 62.40 63.26 1niy h SER 19 CO 0.07 0.29 0.17 -1.20 -1.14 0.00 0.00 176.83 175.02 1niy n SER 20 N -4.48 5.23 -3.28 3.07 7.64 -1.12 -4.97 113.62 115.70 1niy n SER 20 Ca 0.03 -3.12 -0.13 0.00 1.01 0.00 0.00 58.87 56.66 1niy n SER 20 Cb 0.08 -0.73 0.01 0.00 -1.01 0.00 0.00 64.21 62.55 1niy n SER 20 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1niy n ASN 21 N 0.15 -6.76 -4.04 6.43 2.85 -0.48 -4.99 115.26 108.41 1niy n ASN 21 Ca 0.36 -0.22 -0.23 0.00 -0.11 0.00 0.00 54.58 54.38 1niy n ASN 21 Cb 1.33 -3.92 -0.16 0.00 1.24 0.00 0.00 39.78 38.27 1niy n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1niy s LEU 22 N -3.86 1.78 -0.02 1.20 1.43 -0.95 -4.07 118.68 114.19 1niy s LEU 22 Ca 0.09 -0.25 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 1niy s LEU 22 Cb -0.02 -0.72 -0.01 0.00 0.03 0.00 0.00 46.19 45.48 1niy s LEU 22 CO 0.81 0.08 -0.16 0.68 0.23 0.00 0.00 176.35 177.99 1niy s VAL 23 N 0.26 1.25 0.47 -1.59 -7.23 0.19 -4.48 120.40 109.27 1niy s VAL 23 Ca -0.06 -0.67 -0.21 0.00 -1.81 0.00 0.00 61.98 59.24 1niy s VAL 23 Cb -0.11 -1.05 -0.08 0.00 0.56 0.00 0.00 36.38 35.69 1niy s VAL 23 CO 0.02 0.36 1.05 0.00 -0.31 0.00 0.00 175.10 176.21 1niy s SER 25 N -1.88 4.53 -0.25 0.00 0.15 -0.32 -4.89 113.70 111.03 1niy s SER 25 Ca 0.66 -0.88 -0.10 0.00 0.70 0.00 0.00 55.95 56.33 1niy s SER 25 Cb -0.18 -0.64 -0.15 0.00 -1.71 0.00 0.00 66.02 63.34 1niy s SER 25 CO 0.22 -0.34 -0.19 0.54 1.20 0.00 0.00 173.24 174.66 1niy n ARG 26 N -1.13 0.61 0.04 5.44 1.74 -1.26 -2.73 116.66 119.37 1niy n ARG 26 Ca -0.03 0.28 -0.14 0.00 -0.77 0.00 0.00 57.85 57.19 1niy n ARG 26 Cb 0.62 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 1niy n ARG 26 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1niy h LYS 27 N -0.66 0.52 0.00 5.56 1.79 -2.00 -3.25 116.57 118.54 1niy h LYS 27 Ca -0.61 -0.48 -0.04 0.00 -2.18 0.00 0.00 60.65 57.34 1niy h LYS 27 Cb 1.68 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 32.44 1niy h LYS 27 CO -0.27 1.11 -1.08 0.45 -1.08 0.00 0.00 179.45 178.57 1niy h HIS 28 N 0.33 0.00 -6.29 -1.35 3.86 -1.99 -3.48 115.15 106.23 1niy h HIS 28 Ca -0.06 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.68 1niy h HIS 28 Cb 1.45 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.90 1niy h HIS 28 CO 0.06 0.15 -0.80 0.54 0.86 0.00 0.00 177.93 178.75 1niy n ARG 29 N -2.74 -4.97 -3.12 2.45 1.74 -1.11 -4.91 116.66 104.00 1niy n ARG 29 Ca -0.02 0.57 -0.09 0.00 -0.77 0.00 0.00 57.85 57.54 1niy n ARG 29 Cb 0.62 -5.27 -0.01 0.00 -1.02 0.00 0.00 32.46 26.78 1niy n ARG 29 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 1niy n TRP 30 N -4.51 -1.30 -3.21 -1.55 4.27 -1.22 -0.86 117.44 109.06 1niy n TRP 30 Ca -0.10 -1.52 -0.39 0.00 -3.89 0.00 0.00 57.50 51.61 1niy n TRP 30 Cb 0.59 0.43 -0.06 0.00 -1.36 0.00 0.00 31.31 30.91 1niy n TRP 30 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1niy s LYS 32 N -0.57 0.97 0.27 0.00 2.20 0.28 -0.85 119.74 122.03 1niy s LYS 32 Ca 0.31 -1.42 -0.16 0.00 -0.36 0.00 0.00 55.97 54.33 1niy s LYS 32 Cb -0.19 -0.29 -0.08 0.00 -1.51 0.00 0.00 37.83 35.75 1niy s LYS 32 CO 0.18 -0.04 0.71 -0.47 -0.36 0.00 0.00 175.35 175.37 1niy s TYR 33 N -3.59 3.49 0.99 4.03 5.04 -1.26 -0.64 117.35 125.41 1niy s TYR 33 Ca 0.17 1.24 -0.16 0.00 -2.44 0.00 0.00 57.07 55.89 1niy s TYR 33 Cb 0.05 -2.53 0.19 0.00 0.35 0.00 0.00 41.96 40.02 1niy s TYR 33 CO -0.01 0.22 1.21 -1.21 -1.34 0.00 0.00 175.55 174.42 1niy s GLU 34 N -2.53 0.44 0.00 4.97 2.02 -1.26 -4.91 118.70 117.43 1niy s GLU 34 Ca 0.48 -0.11 0.19 0.00 0.02 0.00 0.00 54.97 55.55 1niy s GLU 34 Cb -0.13 -1.79 1.12 0.00 0.10 0.00 0.00 34.13 33.42 1niy s GLU 34 CO 0.19 -2.60 1.51 0.44 0.02 0.00 0.00 175.26 174.82