#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 -2.18 4.03 0.00 0.00 1.43 0.08 -4.56 118.68 117.48 1niy s LEU 3 Ca 0.15 2.15 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 1niy s LEU 3 Cb -0.04 -4.27 0.00 0.00 0.03 0.00 0.00 46.19 41.91 1niy s LEU 3 CO 0.76 -0.74 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1niy n GLY 4 N 0.31 -1.26 3.75 -3.19 0.00 -1.26 -1.37 105.19 102.18 1niy n GLY 4 Ca 0.07 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.30 3.98 -0.64 1.61 5.36 -1.26 -3.63 117.98 123.10 1niy s PHE 5 Ca 0.00 1.88 0.00 0.00 -0.96 0.00 0.00 56.93 57.85 1niy s PHE 5 Cb 0.00 -2.96 0.00 0.00 -0.34 0.00 0.00 43.02 39.72 1niy s PHE 5 CO 0.00 0.46 0.00 0.41 -1.46 0.00 0.00 175.22 174.63 1niy n GLY 6 N 1.52 0.06 3.80 13.12 0.00 0.22 -4.91 105.19 119.00 1niy n GLY 6 Ca -0.02 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 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 -4.37 3.77 -0.09 1.61 2.47 -1.24 -4.71 119.74 117.18 1niy s LYS 7 Ca 0.00 -0.19 -0.29 0.00 -1.56 0.00 0.00 55.97 53.93 1niy s LYS 7 Cb 0.00 -3.27 -0.07 0.00 -1.46 0.00 0.00 37.83 33.03 1niy s LYS 7 CO 0.00 0.55 2.10 0.41 0.16 0.00 0.00 175.35 178.57 1niy n GLY 8 N 2.71 1.45 3.37 5.54 0.00 -1.26 -1.53 105.19 115.48 1niy n GLY 8 Ca -0.18 0.80 -0.11 0.00 0.00 0.00 0.00 46.02 46.53 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 -3.11 6.46 0.21 0.00 2.47 -1.26 -3.98 114.94 115.73 1niy s ASN 10 Ca 0.32 0.49 -0.01 0.00 0.42 0.00 0.00 52.86 54.09 1niy s ASN 10 Cb 0.04 -2.06 0.16 0.00 -1.45 0.00 0.00 41.25 37.94 1niy s ASN 10 CO 0.11 0.21 1.53 1.55 -3.72 0.00 0.00 177.10 176.78 1niy h PRO 11 N 3.66 0.46 -0.04 0.43 0.13 -1.78 0.19 132.00 135.05 1niy h PRO 11 Ca -0.49 -0.29 -0.08 0.00 -0.87 0.00 0.00 66.00 64.27 1niy h PRO 11 Cb 1.19 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1niy h PRO 11 CO 0.69 0.90 -0.27 0.77 -0.23 0.00 0.00 178.00 179.85 1niy h SER 12 N 0.36 0.31 -0.12 1.44 0.02 -1.95 -3.32 113.55 110.30 1niy h SER 12 Ca 0.01 -0.68 -0.22 0.00 -0.84 0.00 0.00 61.79 60.05 1niy h SER 12 Cb 1.08 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.54 1niy h SER 12 CO 0.10 0.94 -0.80 0.78 -1.14 0.00 0.00 176.83 176.71 1niy h ASN 13 N -0.30 0.91 -5.45 3.07 4.21 -1.98 -3.49 115.58 112.54 1niy h ASN 13 Ca -0.02 -0.66 -0.05 0.00 1.21 0.00 0.00 56.30 56.78 1niy h ASN 13 Cb 0.95 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.88 1niy h ASN 13 CO 0.06 1.42 -0.61 -0.67 -1.29 0.00 0.00 177.43 176.34 1niy n ASP 14 N -3.96 -7.64 -1.57 5.81 -0.08 0.67 -4.91 116.55 104.87 1niy n ASP 14 Ca -0.08 0.47 0.06 0.00 -1.51 0.00 0.00 54.79 53.73 1niy n ASP 14 Cb 0.76 -4.90 0.32 0.00 2.34 0.00 0.00 41.12 39.65 1niy n ASP 14 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1niy n GLN 15 N -0.25 3.95 -2.56 -0.67 6.02 -1.26 -4.96 117.38 117.65 1niy n GLN 15 Ca 0.09 -2.54 -0.34 0.00 -0.01 0.00 0.00 57.00 54.20 1niy n GLN 15 Cb 0.48 -2.04 -0.04 0.00 1.02 0.00 0.00 30.24 29.66 1niy n GLN 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1niy n LYS 18 N 0.98 0.10 -0.31 0.00 0.00 -1.26 -2.96 118.16 114.70 1niy n LYS 18 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 58.31 58.34 1niy n LYS 18 Cb 0.49 -1.60 0.08 0.00 0.00 0.00 0.00 35.03 34.00 1niy n LYS 18 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1niy h SER 19 N 0.00 0.99 -0.49 3.14 0.87 -1.97 -2.46 113.55 113.63 1niy h SER 19 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1niy h SER 19 Cb 0.59 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1niy h SER 19 CO 0.00 0.74 0.00 -0.24 -0.53 0.00 0.00 176.83 176.80 1niy n SER 20 N -4.47 5.22 -3.59 6.23 2.88 -1.25 -4.97 113.62 113.66 1niy n SER 20 Ca 0.09 -2.95 -0.24 0.00 -1.33 0.00 0.00 58.87 54.43 1niy n SER 20 Cb 0.03 -0.65 0.02 0.00 -0.75 0.00 0.00 64.21 62.87 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 0.31 -5.70 -4.56 -3.46 4.13 -0.93 -4.82 115.26 100.23 1niy n ASN 21 Ca 0.26 -0.83 -0.33 0.00 1.68 0.00 0.00 54.58 55.37 1niy n ASN 21 Cb 1.11 -3.33 -0.11 0.00 -1.54 0.00 0.00 39.78 35.91 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 -5.66 3.04 0.03 3.41 1.43 -1.15 -2.48 118.68 117.30 1niy s LEU 22 Ca 0.27 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 1niy s LEU 22 Cb -0.10 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1niy s LEU 22 CO 0.85 0.31 -0.18 0.68 0.23 0.00 0.00 176.35 178.25 1niy s VAL 23 N -0.89 1.42 -0.36 -1.59 -7.23 0.20 -4.61 120.40 107.33 1niy s VAL 23 Ca 0.15 -1.01 -0.29 0.00 -1.81 0.00 0.00 61.98 59.01 1niy s VAL 23 Cb -0.11 -1.23 0.01 0.00 0.56 0.00 0.00 36.38 35.61 1niy s VAL 23 CO 0.04 0.19 1.35 0.00 -0.31 0.00 0.00 175.10 176.38 1niy s SER 25 N 3.34 5.96 -0.19 0.00 0.01 0.02 -4.47 113.70 118.36 1niy s SER 25 Ca 0.58 1.59 -0.09 0.00 1.31 0.00 0.00 55.95 59.34 1niy s SER 25 Cb -0.15 -2.50 -0.21 0.00 0.21 0.00 0.00 66.02 63.37 1niy s SER 25 CO 0.28 -1.05 0.12 -1.14 0.41 0.00 0.00 173.24 171.86 1niy n ARG 26 N -2.49 0.67 0.18 12.44 0.63 -1.26 -1.53 116.66 125.30 1niy n ARG 26 Ca 0.07 0.31 0.04 0.00 -0.92 0.00 0.00 57.85 57.36 1niy n ARG 26 Cb 0.54 -1.65 0.32 0.00 0.45 0.00 0.00 32.46 32.11 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 -0.33 0.00 0.00 -0.14 2.10 -1.99 -3.20 116.57 113.01 1niy h LYS 27 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1niy h LYS 27 Cb 1.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.12 1niy h LYS 27 CO -0.08 0.41 -1.56 0.72 -2.00 0.00 0.00 179.45 176.94 1niy n HIS 28 N -3.65 0.00 -3.94 0.07 8.25 -1.26 -5.00 115.22 109.69 1niy n HIS 28 Ca -0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.16 1niy n HIS 28 Cb 0.51 -0.31 0.01 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.94 -4.62 -3.62 -0.41 5.12 -0.58 -4.94 116.66 105.67 1niy n ARG 29 Ca -0.02 0.53 -0.12 0.00 -1.93 0.00 0.00 57.85 56.31 1niy n ARG 29 Cb 0.40 -5.21 -0.02 0.00 -1.16 0.00 0.00 32.46 26.47 1niy n ARG 29 CO 0.00 0.00 0.00 -2.67 -1.93 0.00 0.00 177.63 173.03 1niy n TRP 30 N -4.51 -1.43 -2.97 -1.55 4.27 -1.24 -1.65 117.44 108.36 1niy n TRP 30 Ca -0.07 -1.98 -0.41 0.00 -3.89 0.00 0.00 57.50 51.16 1niy n TRP 30 Cb 0.57 0.52 -0.05 0.00 -1.36 0.00 0.00 31.31 31.00 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 1.98 1.58 -0.04 0.00 2.20 0.17 -0.61 119.74 125.01 1niy s LYS 32 Ca 0.35 -0.94 -0.30 0.00 -0.36 0.00 0.00 55.97 54.73 1niy s LYS 32 Cb -0.16 -1.66 -0.04 0.00 -1.51 0.00 0.00 37.83 34.45 1niy s LYS 32 CO 0.12 0.43 1.38 -0.47 -0.36 0.00 0.00 175.35 176.46 1niy s TYR 33 N -0.73 2.78 0.15 4.03 5.04 -1.26 -0.63 117.35 126.73 1niy s TYR 33 Ca 0.09 0.82 -0.30 0.00 -2.44 0.00 0.00 57.07 55.24 1niy s TYR 33 Cb -0.09 -3.64 -0.07 0.00 0.35 0.00 0.00 41.96 38.52 1niy s TYR 33 CO 0.01 -2.35 0.99 -2.00 -1.34 0.00 0.00 175.55 170.86 1niy s GLU 34 N 2.79 4.70 0.00 4.97 -6.30 -1.03 -4.94 118.70 118.89 1niy s GLU 34 Ca 0.62 1.52 0.18 0.00 -2.50 0.00 0.00 54.97 54.79 1niy s GLU 34 Cb -0.29 -3.34 1.08 0.00 0.00 0.00 0.00 34.13 31.58 1niy s GLU 34 CO 0.24 0.24 1.47 0.44 0.02 0.00 0.00 175.26 177.67