#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 -1.37 4.19 0.00 0.00 1.43 0.30 -4.66 118.68 118.56 1niy s LEU 3 Ca -0.07 0.99 -0.15 0.00 -1.03 0.00 0.00 54.13 53.87 1niy s LEU 3 Cb 0.00 -3.66 0.22 0.00 0.03 0.00 0.00 46.19 42.79 1niy s LEU 3 CO 0.77 -0.06 0.92 0.61 0.23 0.00 0.00 176.35 178.82 1niy n GLY 4 N 0.01 -2.31 3.75 -3.19 0.00 -1.26 -1.68 105.19 100.50 1niy n GLY 4 Ca -0.00 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.78 3.51 -0.60 1.61 5.36 -1.26 -3.43 117.98 120.39 1niy s PHE 5 Ca 0.57 1.56 -0.04 0.00 -0.96 0.00 0.00 56.93 58.06 1niy s PHE 5 Cb -0.04 -3.35 0.00 0.00 -0.34 0.00 0.00 43.02 39.29 1niy s PHE 5 CO 0.42 -0.85 0.52 0.41 -1.46 0.00 0.00 175.22 174.27 1niy n GLY 6 N 1.79 0.29 3.53 13.12 0.00 0.11 -4.92 105.19 119.11 1niy n GLY 6 Ca 0.02 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 -5.55 3.11 -0.12 1.61 -0.14 -1.22 -4.76 119.74 112.67 1niy s LYS 7 Ca 0.25 -0.56 -0.31 0.00 -1.36 0.00 0.00 55.97 53.99 1niy s LYS 7 Cb -0.11 -2.69 -0.09 0.00 -1.68 0.00 0.00 37.83 33.26 1niy s LYS 7 CO 0.32 0.48 2.06 0.41 -0.76 0.00 0.00 175.35 177.86 1niy n GLY 8 N 2.78 1.34 3.35 -3.33 0.00 -1.26 -1.84 105.19 106.23 1niy n GLY 8 Ca -0.18 0.83 -0.22 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 -3.45 6.43 0.18 0.00 0.01 -1.26 -4.43 114.94 112.42 1niy s ASN 10 Ca 0.36 0.51 -0.07 0.00 -0.71 0.00 0.00 52.86 52.95 1niy s ASN 10 Cb 0.02 -2.13 0.07 0.00 0.41 0.00 0.00 41.25 39.62 1niy s ASN 10 CO 0.25 0.28 1.54 1.55 -1.51 0.00 0.00 177.10 179.21 1niy h PRO 11 N 5.66 0.82 -0.19 -0.60 0.13 -1.84 -1.94 132.00 134.04 1niy h PRO 11 Ca -0.48 -0.40 -0.18 0.00 -0.87 0.00 0.00 66.00 64.06 1niy h PRO 11 Cb 1.20 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1niy h PRO 11 CO 0.66 1.04 -0.59 1.03 -0.23 0.00 0.00 178.00 179.91 1niy h SER 12 N 0.69 0.85 -2.49 1.44 0.87 -1.92 -3.35 113.55 109.64 1niy h SER 12 Ca 0.07 -0.59 -0.64 0.00 -1.23 0.00 0.00 61.79 59.40 1niy h SER 12 Cb 0.90 -0.25 -0.39 0.00 -0.44 0.00 0.00 62.40 62.22 1niy h SER 12 CO 0.08 1.29 -0.35 -3.20 -0.53 0.00 0.00 176.83 174.12 1niy n ASN 13 N -4.07 4.11 -4.72 6.23 2.85 -1.19 -5.07 115.26 113.39 1niy n ASN 13 Ca -0.06 -3.39 -0.43 0.00 -0.11 0.00 0.00 54.58 50.59 1niy n ASN 13 Cb 0.65 -0.80 -0.02 0.00 1.24 0.00 0.00 39.78 40.85 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 1.15 3.69 -1.14 1.20 5.75 -0.74 -4.11 116.55 122.36 1niy n ASP 14 Ca 0.28 1.12 0.03 0.00 -0.01 0.00 0.00 54.79 56.20 1niy n ASP 14 Cb 0.39 -1.55 0.12 0.00 -1.03 0.00 0.00 41.12 39.04 1niy n ASP 14 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1niy n GLN 15 N 2.77 1.16 -1.76 0.11 6.02 -1.26 -4.98 117.38 119.44 1niy n GLN 15 Ca 0.12 -2.90 -0.29 0.00 -0.01 0.00 0.00 57.00 53.91 1niy n GLN 15 Cb 0.35 -1.07 0.09 0.00 1.02 0.00 0.00 30.24 30.63 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 7.10 0.16 -0.60 0.00 3.64 -1.92 -2.70 116.57 122.25 1niy h LYS 18 Ca -0.36 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1niy h LYS 18 Cb 1.18 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1niy h LYS 18 CO 0.83 0.75 0.40 1.03 -2.27 0.00 0.00 179.45 180.19 1niy h SER 19 N 0.11 0.68 -0.44 4.20 0.87 -1.97 -1.19 113.55 115.81 1niy h SER 19 Ca -0.01 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1niy h SER 19 Cb 1.17 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1niy h SER 19 CO 0.10 0.49 0.00 -0.24 -0.53 0.00 0.00 176.83 176.65 1niy n SER 20 N -4.45 3.42 -3.68 6.23 2.88 -1.19 -4.94 113.62 111.89 1niy n SER 20 Ca 0.06 -2.31 -0.31 0.00 -1.33 0.00 0.00 58.87 54.98 1niy n SER 20 Cb 0.05 -0.48 0.04 0.00 -0.75 0.00 0.00 64.21 63.07 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 0.68 -5.16 -4.49 -3.46 4.13 -0.45 -4.83 115.26 101.69 1niy n ASN 21 Ca 0.18 -1.01 -0.33 0.00 1.68 0.00 0.00 54.58 55.09 1niy n ASN 21 Cb 0.65 -3.41 -0.13 0.00 -1.54 0.00 0.00 39.78 35.35 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 -6.47 2.91 -0.03 3.41 1.43 -1.02 -1.18 118.68 117.73 1niy s LEU 22 Ca 0.46 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1niy s LEU 22 Cb -0.16 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1niy s LEU 22 CO 0.86 0.30 -0.10 0.68 0.23 0.00 0.00 176.35 178.32 1niy s VAL 23 N -0.43 0.82 -0.09 -1.59 -7.23 0.61 -4.55 120.40 107.95 1niy s VAL 23 Ca 0.06 -0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 59.54 1niy s VAL 23 Cb -0.12 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 36.05 1niy s VAL 23 CO 0.02 0.25 1.46 0.00 -0.31 0.00 0.00 175.10 176.52 1niy s SER 25 N 2.54 4.19 -0.17 0.00 0.15 -0.11 -4.70 113.70 115.60 1niy s SER 25 Ca 0.64 1.36 -0.02 0.00 0.70 0.00 0.00 55.95 58.64 1niy s SER 25 Cb -0.28 -2.08 -0.22 0.00 -1.71 0.00 0.00 66.02 61.72 1niy s SER 25 CO 0.23 -2.17 0.14 0.54 1.20 0.00 0.00 173.24 173.18 1niy n ARG 26 N -3.57 0.71 0.09 5.44 1.74 -1.26 -2.11 116.66 117.70 1niy n ARG 26 Ca 0.07 0.21 -0.23 0.00 -0.77 0.00 0.00 57.85 57.14 1niy n ARG 26 Cb 0.56 -1.63 -0.15 0.00 -1.02 0.00 0.00 32.46 30.21 1niy n ARG 26 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1niy h LYS 27 N 0.04 0.41 0.00 5.56 3.11 -2.00 -3.34 116.57 120.35 1niy h LYS 27 Ca -0.48 -0.71 0.00 0.00 -2.81 0.00 0.00 60.65 56.65 1niy h LYS 27 Cb 1.99 0.26 0.00 0.00 -1.00 0.00 0.00 32.23 33.48 1niy h LYS 27 CO 0.02 1.34 -1.11 0.72 -2.81 0.00 0.00 179.45 177.60 1niy n HIS 28 N -3.89 0.79 -3.85 1.91 8.25 -1.26 -4.98 115.22 112.19 1niy n HIS 28 Ca -0.17 0.23 -0.25 0.00 -0.26 0.00 0.00 57.72 57.27 1niy n HIS 28 Cb 0.97 -0.86 0.01 0.00 1.12 0.00 0.00 29.99 31.23 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 -2.56 -4.31 -4.07 -0.41 1.74 -0.90 -4.91 116.66 101.24 1niy n ARG 29 Ca -0.00 0.53 -0.10 0.00 -0.77 0.00 0.00 57.85 57.50 1niy n ARG 29 Cb 0.54 -4.98 -0.08 0.00 -1.02 0.00 0.00 32.46 26.92 1niy n ARG 29 CO 0.00 0.00 0.00 1.67 -1.52 0.00 0.00 177.63 177.78 1niy s TRP 30 N -3.71 0.70 -0.56 -1.55 1.48 -1.26 -1.27 118.94 112.78 1niy s TRP 30 Ca 0.12 -1.04 -0.27 0.00 -1.06 0.00 0.00 56.10 53.85 1niy s TRP 30 Cb -0.06 -0.26 -0.00 0.00 -1.16 0.00 0.00 33.47 31.98 1niy s TRP 30 CO 0.85 -0.68 1.62 0.00 -4.06 0.00 0.00 176.95 174.68 1niy s LYS 32 N 6.08 2.84 0.01 0.00 2.36 0.45 0.04 119.74 131.52 1niy s LYS 32 Ca 0.60 -1.20 -0.30 0.00 -2.55 0.00 0.00 55.97 52.52 1niy s LYS 32 Cb -0.13 -2.56 -0.05 0.00 -1.05 0.00 0.00 37.83 34.04 1niy s LYS 32 CO 0.24 0.14 1.24 -0.47 1.55 0.00 0.00 175.35 178.05 1niy s TYR 33 N -2.25 3.25 -0.18 4.03 5.04 -1.26 -0.28 117.35 125.70 1niy s TYR 33 Ca 0.40 1.18 -0.29 0.00 -2.44 0.00 0.00 57.07 55.92 1niy s TYR 33 Cb -0.07 -3.47 -0.01 0.00 0.35 0.00 0.00 41.96 38.77 1niy s TYR 33 CO 0.27 -1.52 1.16 -2.00 -1.34 0.00 0.00 175.55 172.13 1niy s GLU 34 N 1.67 4.26 0.00 4.97 -6.30 -0.32 -4.85 118.70 118.13 1niy s GLU 34 Ca 0.59 1.54 0.25 0.00 -2.50 0.00 0.00 54.97 54.84 1niy s GLU 34 Cb -0.28 -3.69 0.35 0.00 0.00 0.00 0.00 34.13 30.50 1niy s GLU 34 CO 0.26 -0.64 1.35 -0.89 0.02 0.00 0.00 175.26 175.36