#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 -6.48 4.32 0.00 0.00 1.43 -0.05 -4.74 118.68 113.15 1niy s LEU 3 Ca 0.65 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 1niy s LEU 3 Cb -0.21 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.50 1niy s LEU 3 CO 0.58 0.28 0.00 0.61 0.23 0.00 0.00 176.35 178.06 1niy n GLY 4 N 1.10 -0.97 3.74 -3.19 0.00 -1.26 -0.51 105.19 104.10 1niy n GLY 4 Ca -0.12 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.13 3.88 -0.47 1.61 5.36 -1.26 -3.67 117.98 123.31 1niy s PHE 5 Ca 0.00 1.83 -0.02 0.00 -0.96 0.00 0.00 56.93 57.79 1niy s PHE 5 Cb 0.00 -3.01 0.00 0.00 -0.34 0.00 0.00 43.02 39.67 1niy s PHE 5 CO 0.00 0.32 0.21 0.41 -1.46 0.00 0.00 175.22 174.69 1niy n GLY 6 N 1.94 0.33 3.56 13.12 0.00 -0.28 -4.92 105.19 118.93 1niy n GLY 6 Ca 0.00 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.94 3.07 0.08 1.61 2.47 -1.24 -4.75 119.74 116.04 1niy s LYS 7 Ca 0.10 -0.53 -0.31 0.00 -1.56 0.00 0.00 55.97 53.67 1niy s LYS 7 Cb -0.05 -2.71 -0.10 0.00 -1.46 0.00 0.00 37.83 33.52 1niy s LYS 7 CO 0.13 0.52 1.90 0.41 0.16 0.00 0.00 175.35 178.47 1niy n GLY 8 N 2.66 1.75 3.34 5.54 0.00 -1.26 -0.91 105.19 116.30 1niy n GLY 8 Ca -0.18 0.76 -0.19 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.36 6.41 0.14 0.00 3.84 -1.25 -4.47 114.94 116.24 1niy s ASN 10 Ca 0.39 0.49 -0.12 0.00 0.21 0.00 0.00 52.86 53.82 1niy s ASN 10 Cb 0.01 -2.13 -0.03 0.00 -0.55 0.00 0.00 41.25 38.56 1niy s ASN 10 CO 0.27 0.25 1.51 1.55 -2.79 0.00 0.00 177.10 177.90 1niy h PRO 11 N 5.85 0.86 -0.18 0.43 0.13 -1.88 -0.77 132.00 136.45 1niy h PRO 11 Ca -0.47 -0.38 -0.22 0.00 -0.87 0.00 0.00 66.00 64.07 1niy h PRO 11 Cb 1.19 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.30 1niy h PRO 11 CO 0.68 1.02 -0.74 1.03 -0.23 0.00 0.00 178.00 179.76 1niy h SER 12 N 0.68 0.93 -2.56 1.44 0.87 -1.95 -3.36 113.55 109.61 1niy h SER 12 Ca 0.09 -0.59 -0.61 0.00 -1.23 0.00 0.00 61.79 59.46 1niy h SER 12 Cb 0.76 -0.27 -0.42 0.00 -0.44 0.00 0.00 62.40 62.02 1niy h SER 12 CO 0.06 1.39 -0.59 -3.20 -0.53 0.00 0.00 176.83 173.95 1niy n ASN 13 N -3.94 3.38 -4.73 6.23 2.85 -1.19 -5.09 115.26 112.77 1niy n ASN 13 Ca -0.07 -3.33 -0.42 0.00 -0.11 0.00 0.00 54.58 50.65 1niy n ASN 13 Cb 0.72 -0.71 -0.00 0.00 1.24 0.00 0.00 39.78 41.04 1niy n ASN 13 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1niy n ASP 14 N 1.33 3.19 -1.66 1.20 5.75 -0.30 -3.92 116.55 122.14 1niy n ASP 14 Ca 0.26 1.21 -0.03 0.00 -0.01 0.00 0.00 54.79 56.22 1niy n ASP 14 Cb 0.39 -1.54 0.08 0.00 -1.03 0.00 0.00 41.12 39.01 1niy n ASP 14 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1niy n GLN 15 N 0.47 1.65 -2.07 0.11 0.00 -1.26 -4.93 117.38 111.34 1niy n GLN 15 Ca 0.03 -3.19 -0.27 0.00 -0.00 0.00 0.00 57.00 53.57 1niy n GLN 15 Cb 0.37 -1.32 0.08 0.00 0.00 0.00 0.00 30.24 29.37 1niy n GLN 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1niy h LYS 18 N 6.93 0.00 -0.81 0.00 3.64 -1.91 -2.85 116.57 121.57 1niy h LYS 18 Ca -0.38 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.05 1niy h LYS 18 Cb 1.18 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 1niy h LYS 18 CO 0.78 0.60 0.53 1.03 -2.27 0.00 0.00 179.45 180.12 1niy h SER 19 N 0.00 0.83 -0.48 4.20 0.87 -1.97 -1.04 113.55 115.96 1niy h SER 19 Ca -0.01 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1niy h SER 19 Cb 1.11 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1niy h SER 19 CO 0.08 0.55 0.00 -0.24 -0.53 0.00 0.00 176.83 176.69 1niy n SER 20 N -4.46 4.60 -3.51 6.23 2.88 -1.20 -4.96 113.62 113.20 1niy n SER 20 Ca 0.11 -2.65 -0.17 0.00 -1.33 0.00 0.00 58.87 54.83 1niy n SER 20 Cb 0.15 -0.62 0.01 0.00 -0.75 0.00 0.00 64.21 63.01 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 0.60 -6.01 -4.28 -3.46 3.02 -0.39 -4.82 115.26 99.93 1niy n ASN 21 Ca 0.22 -0.65 -0.31 0.00 -0.03 0.00 0.00 54.58 53.80 1niy n ASN 21 Cb 0.95 -3.29 -0.16 0.00 -0.61 0.00 0.00 39.78 36.66 1niy n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1niy s LEU 22 N -4.91 2.06 0.00 3.41 1.43 -1.08 -2.79 118.68 116.80 1niy s LEU 22 Ca 0.09 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1niy s LEU 22 Cb -0.03 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.82 1niy s LEU 22 CO 0.84 0.26 -0.11 0.68 0.23 0.00 0.00 176.35 178.25 1niy s VAL 23 N -0.29 0.85 0.21 -1.59 -7.23 -0.56 -4.58 120.40 107.21 1niy s VAL 23 Ca 0.00 -0.54 -0.30 0.00 -1.81 0.00 0.00 61.98 59.33 1niy s VAL 23 Cb -0.13 -0.73 -0.08 0.00 0.56 0.00 0.00 36.38 36.00 1niy s VAL 23 CO 0.02 0.18 1.21 0.00 -0.31 0.00 0.00 175.10 176.21 1niy s SER 25 N 0.01 6.34 -0.07 0.00 0.15 0.02 -4.83 113.70 115.31 1niy s SER 25 Ca 0.52 0.21 0.12 0.00 0.70 0.00 0.00 55.95 57.51 1niy s SER 25 Cb -0.34 -1.93 -0.23 0.00 -1.71 0.00 0.00 66.02 61.81 1niy s SER 25 CO 0.38 -0.02 0.55 -1.14 1.20 0.00 0.00 173.24 174.22 1niy n ARG 26 N -0.86 0.65 0.10 5.44 0.63 -1.26 -1.26 116.66 120.09 1niy n ARG 26 Ca -0.07 0.25 0.03 0.00 -0.92 0.00 0.00 57.85 57.14 1niy n ARG 26 Cb 0.55 -1.75 -0.01 0.00 0.45 0.00 0.00 32.46 31.70 1niy n ARG 26 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 1niy h LYS 27 N 0.00 0.00 0.00 -0.14 2.10 -1.99 -3.35 116.57 113.19 1niy h LYS 27 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 1niy h LYS 27 Cb 2.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.38 1niy h LYS 27 CO 0.07 0.37 -0.99 0.72 -2.00 0.00 0.00 179.45 177.63 1niy n HIS 28 N -3.06 0.00 -3.82 0.07 8.25 -1.26 -5.02 115.22 110.38 1niy n HIS 28 Ca -0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.17 1niy n HIS 28 Cb 0.75 -0.12 0.03 0.00 1.12 0.00 0.00 29.99 31.78 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 -1.55 -5.64 -4.03 -0.41 3.00 -0.39 -4.94 116.66 102.70 1niy n ARG 29 Ca -0.00 0.63 -0.12 0.00 -0.01 0.00 0.00 57.85 58.35 1niy n ARG 29 Cb 0.19 -5.45 -0.04 0.00 0.00 0.00 0.00 32.46 27.15 1niy n ARG 29 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.63 179.30 1niy s TRP 30 N -3.40 0.69 0.12 -1.55 1.48 -1.25 -1.92 118.94 113.11 1niy s TRP 30 Ca 0.48 -1.02 -0.30 0.00 -1.06 0.00 0.00 56.10 54.20 1niy s TRP 30 Cb -0.24 0.08 -0.06 0.00 -1.16 0.00 0.00 33.47 32.09 1niy s TRP 30 CO 0.81 -1.08 1.11 0.00 -4.06 0.00 0.00 176.95 173.73 1niy s LYS 32 N 0.24 1.67 -0.36 0.00 -0.14 0.89 -1.13 119.74 120.91 1niy s LYS 32 Ca 0.52 -1.13 -0.24 0.00 -1.36 0.00 0.00 55.97 53.77 1niy s LYS 32 Cb -0.28 -1.89 0.01 0.00 -1.68 0.00 0.00 37.83 33.99 1niy s LYS 32 CO 0.32 0.48 0.83 -0.47 -0.76 0.00 0.00 175.35 175.75 1niy s TYR 33 N -0.85 3.11 0.77 3.18 6.14 -1.26 -1.50 117.35 126.94 1niy s TYR 33 Ca 0.11 0.66 -0.12 0.00 0.64 0.00 0.00 57.07 58.36 1niy s TYR 33 Cb -0.10 -3.45 0.06 0.00 0.42 0.00 0.00 41.96 38.89 1niy s TYR 33 CO 0.03 -0.74 1.11 -1.83 0.64 0.00 0.00 175.55 174.76 1niy s GLU 34 N 3.20 2.17 0.00 4.97 4.04 -1.12 -5.03 118.70 126.92 1niy s GLU 34 Ca 0.34 1.32 0.28 0.00 0.04 0.00 0.00 54.97 56.95 1niy s GLU 34 Cb -0.13 -1.88 1.05 0.00 0.02 0.00 0.00 34.13 33.19 1niy s GLU 34 CO 0.17 -1.73 1.74 -0.89 -1.84 0.00 0.00 175.26 172.71