#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 -3.06 4.27 0.00 0.00 1.43 -0.13 -4.69 118.68 116.50 1niy s LEU 3 Ca 0.27 1.29 -0.03 0.00 -1.03 0.00 0.00 54.13 54.63 1niy s LEU 3 Cb 0.05 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.71 1niy s LEU 3 CO 0.05 -0.01 0.44 0.61 0.23 0.00 0.00 176.35 177.67 1niy n GLY 4 N 0.46 -0.20 3.78 -3.19 0.00 -1.26 -0.92 105.19 103.86 1niy n GLY 4 Ca -0.02 -1.85 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.52 3.17 -0.60 1.61 5.36 -1.26 -3.62 117.98 121.13 1niy s PHE 5 Ca 0.27 1.61 -0.04 0.00 -0.96 0.00 0.00 56.93 57.81 1niy s PHE 5 Cb -0.01 -3.23 0.00 0.00 -0.34 0.00 0.00 43.02 39.45 1niy s PHE 5 CO 0.18 -0.91 0.52 0.41 -1.46 0.00 0.00 175.22 173.97 1niy n GLY 6 N 0.45 0.28 3.21 13.12 0.00 -0.68 -4.92 105.19 116.65 1niy n GLY 6 Ca 0.05 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 -5.53 2.34 -0.24 1.61 2.47 -1.24 -4.82 119.74 114.32 1niy s LYS 7 Ca 0.25 -0.80 -0.29 0.00 -1.56 0.00 0.00 55.97 53.57 1niy s LYS 7 Cb -0.11 -1.96 -0.03 0.00 -1.46 0.00 0.00 37.83 34.26 1niy s LYS 7 CO 0.32 0.31 1.91 0.20 0.16 0.00 0.00 175.35 178.25 1niy s GLY 8 N -0.03 0.84 0.36 5.54 0.00 -1.26 -1.22 107.32 111.54 1niy s GLY 8 Ca -0.06 0.55 0.04 0.00 0.00 0.00 0.00 44.72 45.25 1niy s GLY 8 CO 0.04 3.40 0.16 0.00 0.00 0.00 0.00 173.10 176.70 1niy s ASN 10 N -3.49 6.87 0.09 0.00 0.01 -1.26 -4.52 114.94 112.64 1niy s ASN 10 Ca 0.31 1.03 -0.15 0.00 -0.71 0.00 0.00 52.86 53.33 1niy s ASN 10 Cb 0.04 -2.28 -0.09 0.00 0.41 0.00 0.00 41.25 39.33 1niy s ASN 10 CO 0.17 0.30 1.41 1.55 -1.51 0.00 0.00 177.10 179.03 1niy h PRO 11 N 4.73 0.67 0.00 -0.60 0.13 -1.87 -2.34 132.00 132.72 1niy h PRO 11 Ca -0.51 -0.36 -0.07 0.00 -0.87 0.00 0.00 66.00 64.19 1niy h PRO 11 Cb 1.22 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.37 1niy h PRO 11 CO 0.62 0.97 -0.28 1.03 -0.23 0.00 0.00 178.00 180.12 1niy h SER 12 N 0.40 0.24 -2.42 1.44 0.87 -1.94 -3.34 113.55 108.80 1niy h SER 12 Ca 0.04 -0.79 -0.81 0.00 -1.23 0.00 0.00 61.79 59.01 1niy h SER 12 Cb 0.85 -0.07 -0.27 0.00 -0.44 0.00 0.00 62.40 62.47 1niy h SER 12 CO 0.07 1.00 1.00 -3.20 -0.53 0.00 0.00 176.83 175.17 1niy n ASN 13 N -4.48 7.07 -4.73 6.23 5.15 -1.24 -5.02 115.26 118.24 1niy n ASN 13 Ca -0.10 -3.59 -0.42 0.00 -0.60 0.00 0.00 54.58 49.88 1niy n ASN 13 Cb 0.52 -1.21 -0.03 0.00 -0.53 0.00 0.00 39.78 38.54 1niy n ASN 13 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1niy s ASP 14 N -1.43 6.64 -0.25 1.20 -4.77 -0.88 -4.14 116.67 113.04 1niy s ASP 14 Ca 0.37 2.61 0.18 0.00 -3.30 0.00 0.00 52.55 52.41 1niy s ASP 14 Cb 0.14 -2.61 0.49 0.00 -1.09 0.00 0.00 42.92 39.86 1niy s ASP 14 CO -0.05 -0.75 1.14 1.67 0.70 0.00 0.00 175.17 177.87 1niy n GLN 15 N 3.25 2.12 -2.07 2.11 7.27 -1.26 -5.02 117.38 123.77 1niy n GLN 15 Ca 0.10 -3.57 -0.28 0.00 0.07 0.00 0.00 57.00 53.33 1niy n GLN 15 Cb 0.40 -1.67 0.12 0.00 2.41 0.00 0.00 30.24 31.50 1niy n GLN 15 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1niy h LYS 18 N 8.02 0.00 -0.35 0.00 5.09 -1.92 -3.07 116.57 124.35 1niy h LYS 18 Ca -0.24 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.45 1niy h LYS 18 Cb 1.09 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.40 1niy h LYS 18 CO 0.98 0.18 0.01 0.66 -2.09 0.00 0.00 179.45 179.18 1niy h SER 19 N 0.00 0.51 -0.51 7.07 4.64 -1.97 -2.23 113.55 121.06 1niy h SER 19 Ca -0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1niy h SER 19 Cb 0.71 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1niy h SER 19 CO 0.02 0.57 0.00 -1.20 -0.87 0.00 0.00 176.83 175.36 1niy n SER 20 N -4.28 3.97 -3.74 4.97 7.64 -1.17 -4.94 113.62 116.07 1niy n SER 20 Ca 0.02 -2.40 -0.25 0.00 1.01 0.00 0.00 58.87 57.25 1niy n SER 20 Cb 0.24 -0.53 0.02 0.00 -1.01 0.00 0.00 64.21 62.94 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 0.80 -2.50 -4.78 6.43 2.85 -0.84 -4.74 115.26 112.49 1niy n ASN 21 Ca 0.21 -0.93 -0.36 0.00 -0.11 0.00 0.00 54.58 53.39 1niy n ASN 21 Cb 0.76 -3.64 -0.08 0.00 1.24 0.00 0.00 39.78 38.07 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 -6.62 4.02 0.05 1.20 1.43 -1.17 -2.50 118.68 115.09 1niy s LEU 22 Ca 0.17 0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.63 1niy s LEU 22 Cb -0.06 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1niy s LEU 22 CO 0.84 0.38 -0.12 0.68 0.23 0.00 0.00 176.35 178.37 1niy s VAL 23 N -0.90 0.95 -0.70 -1.59 -7.23 -0.88 -4.69 120.40 105.37 1niy s VAL 23 Ca 0.14 -1.13 -0.27 0.00 -1.81 0.00 0.00 61.98 58.91 1niy s VAL 23 Cb -0.12 -0.92 0.02 0.00 0.56 0.00 0.00 36.38 35.92 1niy s VAL 23 CO 0.03 -0.19 1.43 0.00 -0.31 0.00 0.00 175.10 176.06 1niy s SER 25 N 4.85 5.49 -0.13 0.00 0.15 0.55 -4.62 113.70 119.99 1niy s SER 25 Ca 0.44 1.88 -0.01 0.00 0.70 0.00 0.00 55.95 58.96 1niy s SER 25 Cb -0.09 -2.54 -0.24 0.00 -1.71 0.00 0.00 66.02 61.44 1niy s SER 25 CO 0.17 -1.37 0.30 0.54 1.20 0.00 0.00 173.24 174.08 1niy n ARG 26 N -2.24 0.72 -0.07 5.44 1.74 -1.26 -1.70 116.66 119.28 1niy n ARG 26 Ca 0.09 0.24 -0.10 0.00 -0.77 0.00 0.00 57.85 57.31 1niy n ARG 26 Cb 0.52 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 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 0.04 0.36 0.00 5.56 1.57 -1.98 -3.02 116.57 119.10 1niy h LYS 27 Ca -0.43 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1niy h LYS 27 Cb 2.02 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.26 1niy h LYS 27 CO 0.05 0.30 -0.96 0.72 -0.57 0.00 0.00 179.45 178.99 1niy n HIS 28 N -4.86 0.13 -3.76 -1.35 8.25 -1.26 -4.97 115.22 107.39 1niy n HIS 28 Ca -0.02 0.04 -0.27 0.00 -0.26 0.00 0.00 57.72 57.20 1niy n HIS 28 Cb 0.06 -0.28 0.05 0.00 1.12 0.00 0.00 29.99 30.94 1niy n HIS 28 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1niy n ARG 29 N -1.76 -6.77 -1.77 -0.41 1.74 -0.69 -4.96 116.66 102.04 1niy n ARG 29 Ca 0.03 0.71 -0.02 0.00 -0.77 0.00 0.00 57.85 57.81 1niy n ARG 29 Cb 0.39 -5.69 -0.00 0.00 -1.02 0.00 0.00 32.46 26.14 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 -4.85 -0.60 -2.86 -1.55 4.27 -1.19 -3.12 117.44 107.55 1niy n TRP 30 Ca 0.03 -0.25 -0.41 0.00 -3.89 0.00 0.00 57.50 52.98 1niy n TRP 30 Cb 0.54 0.06 -0.04 0.00 -1.36 0.00 0.00 31.31 30.51 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 0.59 1.67 -0.66 0.00 2.36 0.21 -1.69 119.74 122.23 1niy s LYS 32 Ca 0.45 -1.19 -0.23 0.00 -2.55 0.00 0.00 55.97 52.45 1niy s LYS 32 Cb -0.20 -1.97 0.07 0.00 -1.05 0.00 0.00 37.83 34.68 1niy s LYS 32 CO 0.25 0.49 0.96 -0.47 1.55 0.00 0.00 175.35 178.13 1niy s TYR 33 N -0.92 2.68 -0.44 4.03 5.04 -1.26 -2.07 117.35 124.40 1niy s TYR 33 Ca 0.13 -0.54 -0.17 0.00 -2.44 0.00 0.00 57.07 54.05 1niy s TYR 33 Cb -0.10 -4.28 0.04 0.00 0.35 0.00 0.00 41.96 37.96 1niy s TYR 33 CO 0.04 -1.64 0.45 -1.21 -1.34 0.00 0.00 175.55 171.85 1niy s GLU 34 N 4.05 3.06 0.00 4.97 0.41 -1.04 -5.06 118.70 125.10 1niy s GLU 34 Ca 0.22 -0.92 0.00 0.00 -0.41 0.00 0.00 54.97 53.86 1niy s GLU 34 Cb -0.17 -4.02 0.00 0.00 -1.78 0.00 0.00 34.13 28.16 1niy s GLU 34 CO 0.10 -0.94 0.00 1.51 -0.49 0.00 0.00 175.26 175.45