#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 2.05 4.29 1.05 0.00 1.43 -0.59 -4.68 118.68 122.23 1niy s LEU 3 Ca 0.15 1.03 -0.14 0.00 -1.03 0.00 0.00 54.13 54.14 1niy s LEU 3 Cb -0.05 -3.37 0.22 0.00 0.03 0.00 0.00 46.19 43.01 1niy s LEU 3 CO -0.11 0.06 1.10 -0.83 0.23 0.00 0.00 176.35 176.79 1niy s GLY 4 N -1.89 1.56 0.09 -3.19 0.00 -1.26 -3.07 107.32 99.56 1niy s GLY 4 Ca 0.40 -0.50 -0.31 0.00 0.00 0.00 0.00 44.72 44.31 1niy s GLY 4 CO 0.20 0.18 1.39 -0.12 0.00 0.00 0.00 173.10 174.74 1niy s PHE 5 N -2.97 3.15 0.00 1.90 5.36 -1.26 -3.01 117.98 121.15 1niy s PHE 5 Ca 0.67 0.93 0.00 0.00 -0.96 0.00 0.00 56.93 57.56 1niy s PHE 5 Cb -0.17 -3.67 0.00 0.00 -0.34 0.00 0.00 43.02 38.84 1niy s PHE 5 CO 0.57 -2.38 0.00 0.41 -1.46 0.00 0.00 175.22 172.37 1niy n GLY 6 N 3.52 0.79 3.52 13.12 0.00 0.28 -4.95 105.19 121.47 1niy n GLY 6 Ca 0.12 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 1niy n GLY 6 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1niy s LYS 7 N -4.29 3.04 -0.07 1.61 2.47 -1.16 -4.80 119.74 116.54 1niy s LYS 7 Ca 0.00 -0.57 -0.31 0.00 -1.56 0.00 0.00 55.97 53.52 1niy s LYS 7 Cb 0.00 -2.66 -0.09 0.00 -1.46 0.00 0.00 37.83 33.62 1niy s LYS 7 CO 0.00 0.50 2.00 0.41 0.16 0.00 0.00 175.35 178.42 1niy n GLY 8 N 2.73 1.51 3.34 5.54 0.00 -1.26 -1.71 105.19 115.34 1niy n GLY 8 Ca -0.18 0.84 -0.14 0.00 0.00 0.00 0.00 46.02 46.54 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 -3.22 6.11 0.38 0.00 2.47 -1.26 -4.19 114.94 115.23 1niy s ASN 10 Ca 0.36 0.15 0.18 0.00 0.42 0.00 0.00 52.86 53.96 1niy s ASN 10 Cb 0.03 -2.09 0.75 0.00 -1.45 0.00 0.00 41.25 38.49 1niy s ASN 10 CO 0.18 0.11 1.78 1.55 -3.72 0.00 0.00 177.10 176.99 1niy h PRO 11 N 7.19 0.00 -0.17 0.43 0.13 -1.81 0.55 132.00 138.32 1niy h PRO 11 Ca -0.39 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.64 1niy h PRO 11 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1niy h PRO 11 CO 0.69 0.37 -0.27 0.77 -0.23 0.00 0.00 178.00 179.33 1niy h SER 12 N 0.00 0.52 0.36 1.44 0.02 -1.93 -3.32 113.55 110.65 1niy h SER 12 Ca -0.00 -0.53 -0.32 0.00 -0.84 0.00 0.00 61.79 60.09 1niy h SER 12 Cb 0.81 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 1niy h SER 12 CO 0.05 0.96 -1.74 0.78 -1.14 0.00 0.00 176.83 175.73 1niy h ASN 13 N 0.11 0.26 -4.72 3.07 4.21 -1.98 -3.50 115.58 113.02 1niy h ASN 13 Ca 0.01 -0.49 0.01 0.00 1.21 0.00 0.00 56.30 57.04 1niy h ASN 13 Cb 0.85 -0.08 -0.11 0.00 -1.12 0.00 0.00 38.32 37.86 1niy h ASN 13 CO 0.06 1.43 -1.35 -0.67 -1.29 0.00 0.00 177.43 175.61 1niy n ASP 14 N -3.32 -1.08 -0.36 5.81 2.03 0.19 -4.97 116.55 114.85 1niy n ASP 14 Ca -0.21 1.17 0.08 0.00 0.52 0.00 0.00 54.79 56.35 1niy n ASP 14 Cb 1.05 -4.70 0.16 0.00 -0.72 0.00 0.00 41.12 36.91 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 1.40 2.08 -1.52 -0.67 1.13 -1.26 -5.01 117.38 113.53 1niy n GLN 15 Ca -0.34 -2.52 -0.30 0.00 -1.94 0.00 0.00 57.00 51.90 1niy n GLN 15 Cb 0.53 -1.54 0.08 0.00 0.11 0.00 0.00 30.24 29.42 1niy n GLN 15 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1niy h LYS 18 N 7.12 0.15 -0.27 0.00 3.11 -1.86 -2.27 116.57 122.55 1niy h LYS 18 Ca -0.32 -0.12 -0.01 0.00 -2.81 0.00 0.00 60.65 57.39 1niy h LYS 18 Cb 1.15 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.39 1niy h LYS 18 CO 0.83 0.75 0.13 0.77 -2.81 0.00 0.00 179.45 179.11 1niy h SER 19 N 0.11 0.33 -0.50 4.20 0.02 -1.95 -1.56 113.55 114.19 1niy h SER 19 Ca -0.01 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1niy h SER 19 Cb 1.16 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1niy h SER 19 CO 0.09 0.28 0.00 -1.20 -1.14 0.00 0.00 176.83 174.87 1niy n SER 20 N -4.45 4.88 -3.72 3.07 7.64 -1.18 -4.94 113.62 114.92 1niy n SER 20 Ca 0.01 -2.72 -0.26 0.00 1.01 0.00 0.00 58.87 56.92 1niy n SER 20 Cb 0.11 -0.64 0.03 0.00 -1.01 0.00 0.00 64.21 62.70 1niy n SER 20 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1niy n ASN 21 N 0.61 -2.86 -4.44 6.43 4.13 -0.59 -4.95 115.26 113.59 1niy n ASN 21 Ca 0.23 -0.93 -0.33 0.00 1.68 0.00 0.00 54.58 55.23 1niy n ASN 21 Cb 1.01 -3.65 -0.13 0.00 -1.54 0.00 0.00 39.78 35.47 1niy n ASN 21 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1niy s LEU 22 N -6.58 2.83 -0.00 3.41 1.43 -0.86 -3.87 118.68 115.04 1niy s LEU 22 Ca 0.21 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 1niy s LEU 22 Cb -0.07 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 1niy s LEU 22 CO 0.84 0.24 -0.13 0.68 0.23 0.00 0.00 176.35 178.21 1niy s VAL 23 N -0.08 1.01 -0.12 -1.59 -7.23 -0.45 -4.35 120.40 107.58 1niy s VAL 23 Ca -0.01 -0.61 -0.29 0.00 -1.81 0.00 0.00 61.98 59.26 1niy s VAL 23 Cb -0.14 -0.85 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 1niy s VAL 23 CO 0.03 0.24 1.40 0.00 -0.31 0.00 0.00 175.10 176.46 1niy s SER 25 N 2.43 6.30 -0.16 0.00 0.01 0.58 -4.60 113.70 118.26 1niy s SER 25 Ca 0.61 1.29 -0.06 0.00 1.31 0.00 0.00 55.95 59.10 1niy s SER 25 Cb -0.26 -2.41 -0.23 0.00 0.21 0.00 0.00 66.02 63.33 1niy s SER 25 CO 0.20 -0.74 0.21 0.54 0.41 0.00 0.00 173.24 173.87 1niy n ARG 26 N -2.42 0.72 0.01 12.44 1.74 -1.26 -1.56 116.66 126.33 1niy n ARG 26 Ca 0.04 0.27 -0.19 0.00 -0.77 0.00 0.00 57.85 57.20 1niy n ARG 26 Cb 0.54 -1.67 -0.09 0.00 -1.02 0.00 0.00 32.46 30.22 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 -0.06 0.70 0.00 5.56 1.57 -1.99 -3.29 116.57 119.06 1niy h LYS 27 Ca -0.46 -0.67 -0.01 0.00 -1.87 0.00 0.00 60.65 57.64 1niy h LYS 27 Cb 1.94 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 34.41 1niy h LYS 27 CO 0.01 1.27 -1.17 0.72 -0.57 0.00 0.00 179.45 179.71 1niy n HIS 28 N -3.94 0.84 -3.81 -1.35 8.25 -1.26 -4.98 115.22 108.97 1niy n HIS 28 Ca -0.10 0.25 -0.27 0.00 -0.26 0.00 0.00 57.72 57.34 1niy n HIS 28 Cb 0.80 -0.91 0.04 0.00 1.12 0.00 0.00 29.99 31.04 1niy n HIS 28 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1niy n ARG 29 N -2.64 -5.78 -4.05 -0.41 0.63 -0.60 -4.93 116.66 98.87 1niy n ARG 29 Ca -0.01 0.64 -0.14 0.00 -0.92 0.00 0.00 57.85 57.42 1niy n ARG 29 Cb 0.57 -5.49 -0.03 0.00 0.45 0.00 0.00 32.46 27.97 1niy n ARG 29 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 1niy s TRP 30 N -3.39 0.98 -0.23 -0.14 1.48 -1.24 -1.38 118.94 115.02 1niy s TRP 30 Ca 0.49 -1.26 -0.29 0.00 -1.06 0.00 0.00 56.10 53.98 1niy s TRP 30 Cb -0.24 0.03 0.01 0.00 -1.16 0.00 0.00 33.47 32.11 1niy s TRP 30 CO 0.81 -1.21 1.05 0.00 -4.06 0.00 0.00 176.95 173.54 1niy s LYS 32 N 3.22 1.75 -0.23 0.00 2.20 0.38 -0.56 119.74 126.50 1niy s LYS 32 Ca 0.45 -1.28 -0.10 0.00 -0.36 0.00 0.00 55.97 54.68 1niy s LYS 32 Cb -0.15 -2.05 -0.05 0.00 -1.51 0.00 0.00 37.83 34.07 1niy s LYS 32 CO 0.06 0.45 0.13 -0.47 -0.36 0.00 0.00 175.35 175.17 1niy s TYR 33 N -1.35 3.30 -0.34 4.03 6.14 -1.26 -1.34 117.35 126.54 1niy s TYR 33 Ca 0.19 0.16 -0.28 0.00 0.64 0.00 0.00 57.07 57.79 1niy s TYR 33 Cb -0.10 -2.22 0.02 0.00 0.42 0.00 0.00 41.96 40.08 1niy s TYR 33 CO 0.11 0.07 1.03 -1.21 0.64 0.00 0.00 175.55 176.19 1niy s GLU 34 N 0.91 4.00 0.00 4.97 0.41 -1.25 -5.05 118.70 122.68 1niy s GLU 34 Ca 0.07 0.92 0.05 0.00 -0.41 0.00 0.00 54.97 55.59 1niy s GLU 34 Cb -0.13 -3.76 0.04 0.00 -1.78 0.00 0.00 34.13 28.50 1niy s GLU 34 CO 0.03 -0.92 0.65 1.51 -0.49 0.00 0.00 175.26 176.04