#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 -3.58 4.38 0.00 0.00 1.43 0.16 -4.75 118.68 116.32 1niy s LEU 3 Ca 0.29 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 1niy s LEU 3 Cb 0.06 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.79 1niy s LEU 3 CO 0.14 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.63 1niy n GLY 4 N 1.31 -0.66 3.80 -3.19 0.00 -1.26 -1.15 105.19 104.04 1niy n GLY 4 Ca -0.14 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 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 0.00 3.81 -0.95 1.61 5.36 -1.26 -4.14 117.98 122.40 1niy s PHE 5 Ca 0.00 1.31 -0.02 0.00 -0.96 0.00 0.00 56.93 57.26 1niy s PHE 5 Cb 0.00 -2.55 0.00 0.00 -0.34 0.00 0.00 43.02 40.14 1niy s PHE 5 CO 0.00 0.55 0.80 0.41 -1.46 0.00 0.00 175.22 175.53 1niy n GLY 6 N 1.79 -0.18 3.47 13.12 0.00 0.25 -4.93 105.19 118.72 1niy n GLY 6 Ca -0.09 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -5.31 2.08 -0.20 1.61 -0.14 -1.26 -4.81 119.74 111.71 1niy s LYS 7 Ca 0.13 -0.98 -0.31 0.00 -1.36 0.00 0.00 55.97 53.44 1niy s LYS 7 Cb -0.06 -2.21 -0.08 0.00 -1.68 0.00 0.00 37.83 33.81 1niy s LYS 7 CO 0.56 0.54 2.13 0.41 -0.76 0.00 0.00 175.35 178.23 1niy n GLY 8 N 1.46 1.06 2.99 -3.33 0.00 -1.26 -1.70 105.19 104.40 1niy n GLY 8 Ca -0.16 0.84 -0.10 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.04 6.62 0.27 0.00 2.47 -1.26 -3.32 114.94 118.67 1niy s ASN 10 Ca -0.11 0.73 0.23 0.00 0.42 0.00 0.00 52.86 54.13 1niy s ASN 10 Cb -0.07 -2.16 1.01 0.00 -1.45 0.00 0.00 41.25 38.58 1niy s ASN 10 CO -0.00 0.34 1.70 -0.81 -3.72 0.00 0.00 177.10 174.60 1niy n PRO 11 N 1.73 0.18 0.02 0.43 -0.04 -1.26 -0.28 135.00 135.79 1niy n PRO 11 Ca -0.15 0.47 -0.19 0.00 -0.04 0.00 0.00 63.50 63.58 1niy n PRO 11 Cb 0.53 -1.89 -0.14 0.00 -0.04 0.00 0.00 33.50 31.97 1niy n PRO 11 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1niy h SER 12 N 0.00 0.40 0.09 3.54 0.02 -1.94 -3.39 113.55 112.27 1niy h SER 12 Ca 0.00 -0.76 -0.30 0.00 -0.84 0.00 0.00 61.79 59.89 1niy h SER 12 Cb 0.29 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1niy h SER 12 CO 0.00 1.67 -1.62 -1.13 -1.14 0.00 0.00 176.83 174.61 1niy h ASN 13 N 0.07 0.30 -5.40 3.07 -0.73 -1.93 -3.50 115.58 107.46 1niy h ASN 13 Ca -0.36 -0.81 -0.03 0.00 1.87 0.00 0.00 56.30 56.97 1niy h ASN 13 Cb 2.04 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 40.54 1niy h ASN 13 CO 0.12 1.69 -0.77 0.47 -0.37 0.00 0.00 177.43 178.57 1niy n ASP 14 N -3.87 -7.72 -1.27 1.15 9.92 0.62 -4.95 116.55 110.43 1niy n ASP 14 Ca -0.30 0.80 -0.07 0.00 -0.53 0.00 0.00 54.79 54.70 1niy n ASP 14 Cb 0.91 -4.87 0.18 0.00 -0.64 0.00 0.00 41.12 36.70 1niy n ASP 14 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1niy n GLN 15 N 0.17 1.97 -2.11 -1.24 -0.06 -1.26 -4.99 117.38 109.86 1niy n GLN 15 Ca 0.05 -3.28 -0.31 0.00 -2.00 0.00 0.00 57.00 51.47 1niy n GLN 15 Cb 0.32 -1.86 -0.00 0.00 -4.06 0.00 0.00 30.24 24.63 1niy n GLN 15 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1niy h LYS 18 N 12.04 0.14 0.00 0.00 1.63 -1.92 -2.27 116.57 126.20 1niy h LYS 18 Ca -0.28 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.42 1niy h LYS 18 Cb 1.12 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 1niy h LYS 18 CO 1.14 0.47 -0.19 0.77 -3.45 0.00 0.00 179.45 178.19 1niy h SER 19 N 0.13 0.00 -0.73 4.20 0.02 -1.93 -2.24 113.55 112.99 1niy h SER 19 Ca 0.02 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.74 1niy h SER 19 Cb 0.67 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.07 1niy h SER 19 CO 0.05 0.19 0.28 -1.20 -1.14 0.00 0.00 176.83 175.01 1niy n SER 20 N -3.90 4.68 -3.44 3.07 7.64 -0.98 -4.95 113.62 115.74 1niy n SER 20 Ca -0.02 -3.27 -0.19 0.00 1.01 0.00 0.00 58.87 56.41 1niy n SER 20 Cb 0.28 -0.74 0.03 0.00 -1.01 0.00 0.00 64.21 62.77 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 -0.26 -6.22 -3.94 6.43 3.02 -0.84 -4.80 115.26 108.65 1niy n ASN 21 Ca 0.42 -0.70 -0.23 0.00 -0.03 0.00 0.00 54.58 54.03 1niy n ASN 21 Cb 1.39 -4.08 -0.17 0.00 -0.61 0.00 0.00 39.78 36.31 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 -5.40 1.36 0.07 3.41 1.43 -0.89 -0.92 118.68 117.73 1niy s LEU 22 Ca 0.29 -0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.23 1niy s LEU 22 Cb -0.08 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 1niy s LEU 22 CO 0.81 -0.05 -0.19 0.68 0.23 0.00 0.00 176.35 177.84 1niy s VAL 23 N 1.08 1.50 0.12 -1.59 -7.23 -0.61 -4.30 120.40 109.37 1niy s VAL 23 Ca -0.08 -1.31 -0.30 0.00 -1.81 0.00 0.00 61.98 58.48 1niy s VAL 23 Cb -0.14 -1.36 -0.07 0.00 0.56 0.00 0.00 36.38 35.38 1niy s VAL 23 CO -0.01 -0.00 1.16 0.00 -0.31 0.00 0.00 175.10 175.94 1niy s SER 25 N 0.53 5.59 -0.20 0.00 0.01 0.11 -4.85 113.70 114.89 1niy s SER 25 Ca 0.55 0.78 -0.17 0.00 1.31 0.00 0.00 55.95 58.42 1niy s SER 25 Cb -0.30 -1.76 -0.13 0.00 0.21 0.00 0.00 66.02 64.05 1niy s SER 25 CO 0.32 -1.09 -0.01 -1.14 0.41 0.00 0.00 173.24 171.73 1niy n ARG 26 N -2.64 0.53 0.08 12.44 0.00 -1.26 -2.93 116.66 122.89 1niy n ARG 26 Ca 0.05 0.50 -0.03 0.00 -0.00 0.00 0.00 57.85 58.37 1niy n ARG 26 Cb 0.57 -1.68 -0.06 0.00 0.00 0.00 0.00 32.46 31.29 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 -1.00 0.00 0.00 -0.14 3.11 -2.00 -3.31 116.57 113.22 1niy h LYS 27 Ca -0.28 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.39 1niy h LYS 27 Cb 1.11 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.31 1niy h LYS 27 CO -0.17 0.70 -1.36 0.45 -2.81 0.00 0.00 179.45 176.27 1niy h HIS 28 N 0.00 0.00 -6.06 1.91 3.86 -1.99 -3.48 115.15 109.39 1niy h HIS 28 Ca -0.05 0.00 -0.42 0.00 -1.16 0.00 0.00 60.37 58.75 1niy h HIS 28 Cb 1.63 0.00 0.06 0.00 1.06 0.00 0.00 27.41 30.15 1niy h HIS 28 CO 0.00 0.57 -0.79 -2.13 0.86 0.00 0.00 177.93 176.45 1niy n ARG 29 N -2.91 -5.64 -4.01 2.45 0.63 -1.15 -4.94 116.66 101.09 1niy n ARG 29 Ca -0.09 0.67 -0.13 0.00 -0.92 0.00 0.00 57.85 57.38 1niy n ARG 29 Cb 0.83 -5.43 -0.02 0.00 0.45 0.00 0.00 32.46 28.29 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 -3.49 0.79 -0.17 -0.14 1.48 -1.21 -1.74 118.94 114.46 1niy s TRP 30 Ca 0.24 -1.15 -0.28 0.00 -1.06 0.00 0.00 56.10 53.86 1niy s TRP 30 Cb -0.12 0.17 -0.01 0.00 -1.16 0.00 0.00 33.47 32.36 1niy s TRP 30 CO 0.80 -1.25 0.95 0.00 -4.06 0.00 0.00 176.95 173.39 1niy s LYS 32 N 2.42 2.95 -0.17 0.00 2.20 0.93 -0.58 119.74 127.49 1niy s LYS 32 Ca 0.43 -0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 55.25 1niy s LYS 32 Cb -0.17 -2.70 -0.02 0.00 -1.51 0.00 0.00 37.83 33.44 1niy s LYS 32 CO 0.12 0.62 1.30 -0.47 -0.36 0.00 0.00 175.35 176.57 1niy s TYR 33 N -0.67 2.75 -0.24 4.03 5.04 -1.26 -1.57 117.35 125.43 1niy s TYR 33 Ca 0.10 0.92 -0.12 0.00 -2.44 0.00 0.00 57.07 55.53 1niy s TYR 33 Cb -0.12 -3.58 -0.05 0.00 0.35 0.00 0.00 41.96 38.57 1niy s TYR 33 CO 0.02 -1.90 0.25 -2.00 -1.34 0.00 0.00 175.55 170.58 1niy s GLU 34 N 3.62 4.07 0.00 4.97 -6.30 -0.10 -4.99 118.70 119.98 1niy s GLU 34 Ca 0.57 -0.13 0.00 0.00 -2.50 0.00 0.00 54.97 52.91 1niy s GLU 34 Cb -0.22 -3.57 0.00 0.00 0.00 0.00 0.00 34.13 30.34 1niy s GLU 34 CO 0.17 -0.04 0.00 1.51 0.02 0.00 0.00 175.26 176.91