#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 2.51 4.00 0.00 0.00 1.43 -0.68 -4.66 118.68 121.28 1niy s LEU 3 Ca 0.11 1.65 -0.06 0.00 -1.03 0.00 0.00 54.13 54.80 1niy s LEU 3 Cb -0.14 -4.43 0.09 0.00 0.03 0.00 0.00 46.19 41.74 1niy s LEU 3 CO -0.24 -0.31 0.45 0.61 0.23 0.00 0.00 176.35 177.09 1niy n GLY 4 N -0.48 -1.55 3.78 -3.19 0.00 -1.26 -2.82 105.19 99.67 1niy n GLY 4 Ca 0.06 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.96 3.79 -0.99 1.61 5.36 -1.26 -3.97 117.98 120.56 1niy s PHE 5 Ca 0.26 1.67 -0.02 0.00 -0.96 0.00 0.00 56.93 57.88 1niy s PHE 5 Cb -0.01 -2.82 0.00 0.00 -0.34 0.00 0.00 43.02 39.86 1niy s PHE 5 CO 0.19 0.37 0.84 0.41 -1.46 0.00 0.00 175.22 175.57 1niy n GLY 6 N 1.05 -0.21 3.43 13.12 0.00 0.54 -4.92 105.19 118.21 1niy n GLY 6 Ca -0.02 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.40 1.75 -0.32 1.61 2.20 -1.25 -4.80 119.74 113.52 1niy s LYS 7 Ca 0.15 -1.17 -0.28 0.00 -0.36 0.00 0.00 55.97 54.32 1niy s LYS 7 Cb -0.07 -2.05 -0.06 0.00 -1.51 0.00 0.00 37.83 34.14 1niy s LYS 7 CO 0.58 0.49 2.29 0.41 -0.36 0.00 0.00 175.35 178.76 1niy n GLY 8 N 1.15 0.70 3.15 5.54 0.00 -1.26 -1.99 105.19 112.48 1niy n GLY 8 Ca -0.17 0.75 -0.15 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.12 6.98 0.53 0.00 2.47 -1.26 -3.77 114.94 117.77 1niy s ASN 10 Ca 0.01 1.16 0.32 0.00 0.42 0.00 0.00 52.86 54.77 1niy s ASN 10 Cb -0.06 -2.34 1.23 0.00 -1.45 0.00 0.00 41.25 38.63 1niy s ASN 10 CO 0.00 0.22 1.93 1.55 -3.72 0.00 0.00 177.10 177.09 1niy h PRO 11 N 4.97 0.00 0.17 0.43 0.13 -1.78 -0.06 132.00 135.87 1niy h PRO 11 Ca -0.48 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.30 1niy h PRO 11 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1niy h PRO 11 CO 0.65 0.00 -1.76 1.03 -0.23 0.00 0.00 178.00 177.69 1niy h SER 12 N 0.00 0.58 0.08 1.44 0.87 -1.93 -3.39 113.55 111.20 1niy h SER 12 Ca 0.00 -0.94 -0.20 0.00 -1.23 0.00 0.00 61.79 59.42 1niy h SER 12 Cb 0.58 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1niy h SER 12 CO 0.00 1.79 -1.03 0.78 -0.53 0.00 0.00 176.83 177.84 1niy h ASN 13 N 0.07 0.27 -5.46 6.23 4.21 -1.97 -3.50 115.58 115.43 1niy h ASN 13 Ca -0.35 -0.84 -0.02 0.00 1.21 0.00 0.00 56.30 56.29 1niy h ASN 13 Cb 2.07 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 39.18 1niy h ASN 13 CO 0.16 1.45 -0.92 0.47 -1.29 0.00 0.00 177.43 177.29 1niy n ASP 14 N -4.16 -7.64 -2.05 5.81 9.92 -0.04 -4.95 116.55 113.45 1niy n ASP 14 Ca -0.21 1.01 -0.25 0.00 -0.53 0.00 0.00 54.79 54.80 1niy n ASP 14 Cb 0.78 -4.49 0.04 0.00 -0.64 0.00 0.00 41.12 36.80 1niy n ASP 14 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1niy n GLN 15 N 0.58 3.39 -2.26 -1.24 6.02 -1.26 -4.98 117.38 117.63 1niy n GLN 15 Ca 0.02 -3.98 -0.25 0.00 -0.01 0.00 0.00 57.00 52.77 1niy n GLN 15 Cb 0.21 -2.27 0.06 0.00 1.02 0.00 0.00 30.24 29.27 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 6.31 0.00 -0.33 0.00 5.09 -1.93 -3.03 116.57 122.69 1niy h LYS 18 Ca -0.42 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.24 1niy h LYS 18 Cb 1.20 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.52 1niy h LYS 18 CO 0.73 0.36 -0.12 0.66 -2.09 0.00 0.00 179.45 178.99 1niy h SER 19 N 0.00 0.54 -0.47 7.07 4.64 -1.96 -2.36 113.55 121.01 1niy h SER 19 Ca -0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1niy h SER 19 Cb 1.28 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1niy h SER 19 CO 0.05 0.70 0.00 -0.24 -0.87 0.00 0.00 176.83 176.47 1niy n SER 20 N -4.19 2.81 -3.35 4.97 2.88 -1.23 -4.96 113.62 110.54 1niy n SER 20 Ca 0.01 -2.09 -0.11 0.00 -1.33 0.00 0.00 58.87 55.35 1niy n SER 20 Cb 0.33 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 1niy n SER 20 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1niy n ASN 21 N 0.85 -6.64 -4.04 -3.46 4.13 -0.89 -4.95 115.26 100.27 1niy n ASN 21 Ca 0.16 -0.45 -0.19 0.00 1.68 0.00 0.00 54.58 55.78 1niy n ASN 21 Cb 0.47 -3.98 -0.15 0.00 -1.54 0.00 0.00 39.78 34.59 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 -4.52 1.99 0.01 3.41 1.43 -1.14 -3.68 118.68 116.18 1niy s LEU 22 Ca 0.04 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 1niy s LEU 22 Cb -0.01 -0.52 -0.01 0.00 0.03 0.00 0.00 46.19 45.67 1niy s LEU 22 CO 0.81 0.12 -0.09 0.68 0.23 0.00 0.00 176.35 178.10 1niy s VAL 23 N -0.18 0.66 -0.43 -1.59 -7.23 -0.69 -4.51 120.40 106.43 1niy s VAL 23 Ca 0.03 -0.55 -0.28 0.00 -1.81 0.00 0.00 61.98 59.37 1niy s VAL 23 Cb -0.04 -0.59 0.03 0.00 0.56 0.00 0.00 36.38 36.33 1niy s VAL 23 CO -0.00 0.05 1.07 0.00 -0.31 0.00 0.00 175.10 175.91 1niy s SER 25 N 2.22 5.23 -0.22 0.00 0.15 -0.23 -4.44 113.70 116.40 1niy s SER 25 Ca 0.44 1.06 -0.17 0.00 0.70 0.00 0.00 55.95 57.99 1niy s SER 25 Cb -0.09 -1.79 -0.18 0.00 -1.71 0.00 0.00 66.02 62.25 1niy s SER 25 CO 0.26 -1.47 0.03 -1.14 1.20 0.00 0.00 173.24 172.12 1niy n ARG 26 N -3.08 0.60 -0.20 5.44 3.00 -1.26 -1.74 116.66 119.41 1niy n ARG 26 Ca 0.07 0.43 -0.05 0.00 -0.00 0.00 0.00 57.85 58.30 1niy n ARG 26 Cb 0.58 -1.66 0.04 0.00 0.00 0.00 0.00 32.46 31.43 1niy n ARG 26 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1niy h LYS 27 N -0.85 0.73 0.00 -0.14 3.64 -1.99 -2.83 116.57 115.14 1niy h LYS 27 Ca -0.48 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 58.78 1niy h LYS 27 Cb 1.50 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1niy h LYS 27 CO -0.24 0.48 -1.21 0.72 -2.27 0.00 0.00 179.45 176.93 1niy n HIS 28 N -4.71 0.97 -3.61 1.91 8.25 -1.26 -4.97 115.22 111.80 1niy n HIS 28 Ca 0.05 0.30 -0.25 0.00 -0.26 0.00 0.00 57.72 57.55 1niy n HIS 28 Cb 0.05 -1.02 0.06 0.00 1.12 0.00 0.00 29.99 30.19 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 -2.78 -6.88 -4.03 -0.41 0.63 -0.71 -4.97 116.66 97.51 1niy n ARG 29 Ca -0.05 0.77 -0.12 0.00 -0.92 0.00 0.00 57.85 57.53 1niy n ARG 29 Cb 0.69 -5.75 -0.04 0.00 0.45 0.00 0.00 32.46 27.81 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 -3.29 0.71 0.08 -0.14 1.48 -1.23 -2.31 118.94 114.24 1niy s TRP 30 Ca 0.57 -1.04 -0.28 0.00 -1.06 0.00 0.00 56.10 54.30 1niy s TRP 30 Cb -0.26 0.11 -0.06 0.00 -1.16 0.00 0.00 33.47 32.10 1niy s TRP 30 CO 0.71 -1.12 0.88 0.00 -4.06 0.00 0.00 176.95 173.35 1niy s LYS 32 N -0.05 0.98 0.11 0.00 0.00 -0.42 -0.34 119.74 120.03 1niy s LYS 32 Ca 0.43 -1.44 -0.18 0.00 0.00 0.00 0.00 55.97 54.78 1niy s LYS 32 Cb -0.22 -0.18 -0.07 0.00 0.00 0.00 0.00 37.83 37.36 1niy s LYS 32 CO 0.27 -0.10 0.57 -0.47 0.00 0.00 0.00 175.35 175.62 1niy s TYR 33 N -3.69 3.73 -0.68 1.78 6.14 -1.26 -1.70 117.35 121.67 1niy s TYR 33 Ca 0.19 1.22 -0.27 0.00 0.64 0.00 0.00 57.07 58.84 1niy s TYR 33 Cb 0.06 -2.47 0.02 0.00 0.42 0.00 0.00 41.96 40.00 1niy s TYR 33 CO 0.00 0.52 1.32 -1.21 0.64 0.00 0.00 175.55 176.82 1niy s GLU 34 N -1.45 3.23 0.00 4.97 8.01 -1.24 -4.98 118.70 127.23 1niy s GLU 34 Ca 0.33 -0.00 0.16 0.00 0.01 0.00 0.00 54.97 55.46 1niy s GLU 34 Cb -0.18 -4.16 0.12 0.00 -4.31 0.00 0.00 34.13 25.61 1niy s GLU 34 CO 0.19 -2.08 0.99 -0.89 0.01 0.00 0.00 175.26 173.49