#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 -3.16 3.25 0.00 0.00 1.43 0.18 -4.83 118.68 115.56 1niy s LEU 3 Ca 0.22 -0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 53.11 1niy s LEU 3 Cb -0.03 -1.77 0.26 0.00 0.03 0.00 0.00 46.19 44.69 1niy s LEU 3 CO 0.16 0.34 1.13 0.61 0.23 0.00 0.00 176.35 178.82 1niy n GLY 4 N 1.98 -2.31 3.72 -3.19 0.00 -1.26 -2.06 105.19 102.08 1niy n GLY 4 Ca -0.17 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 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 -3.21 3.39 0.00 1.61 5.36 -1.26 -3.36 117.98 120.51 1niy s PHE 5 Ca 0.69 1.26 0.00 0.00 -0.96 0.00 0.00 56.93 57.93 1niy s PHE 5 Cb -0.05 -3.48 0.00 0.00 -0.34 0.00 0.00 43.02 39.15 1niy s PHE 5 CO 0.52 -1.50 0.00 0.41 -1.46 0.00 0.00 175.22 173.18 1niy n GLY 6 N 2.94 0.87 3.35 13.12 0.00 0.62 -4.94 105.19 121.15 1niy n GLY 6 Ca 0.08 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.28 1.69 -0.12 1.61 1.02 -1.21 -4.83 119.74 113.62 1niy s LYS 7 Ca 0.00 -1.16 -0.36 0.00 0.02 0.00 0.00 55.97 54.47 1niy s LYS 7 Cb 0.00 -1.93 -0.14 0.00 -0.52 0.00 0.00 37.83 35.24 1niy s LYS 7 CO 0.00 0.49 1.78 0.41 -0.92 0.00 0.00 175.35 177.11 1niy n GLY 8 N 1.58 1.17 3.10 -3.33 0.00 -1.26 -1.64 105.19 104.81 1niy n GLY 8 Ca -0.17 0.86 -0.11 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 -1.49 6.09 0.30 0.00 -0.87 -1.26 -3.74 114.94 113.97 1niy s ASN 10 Ca -0.14 0.37 0.09 0.00 -1.57 0.00 0.00 52.86 51.61 1niy s ASN 10 Cb -0.07 -1.93 0.48 0.00 -0.02 0.00 0.00 41.25 39.71 1niy s ASN 10 CO 0.01 0.38 1.70 1.55 -2.57 0.00 0.00 177.10 178.17 1niy h PRO 11 N 5.17 0.11 -0.20 -0.60 0.13 -1.91 0.47 132.00 135.17 1niy h PRO 11 Ca -0.53 -0.06 -0.18 0.00 -0.87 0.00 0.00 66.00 64.37 1niy h PRO 11 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1niy h PRO 11 CO 0.59 0.56 -0.57 0.77 -0.23 0.00 0.00 178.00 179.12 1niy h SER 12 N 0.09 0.85 0.20 1.44 0.02 -1.95 -3.33 113.55 110.87 1niy h SER 12 Ca 0.00 -0.58 -0.35 0.00 -0.84 0.00 0.00 61.79 60.02 1niy h SER 12 Cb 0.88 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 1niy h SER 12 CO 0.07 1.28 -1.84 -1.13 -1.14 0.00 0.00 176.83 174.07 1niy h ASN 13 N 0.47 0.47 -5.22 3.07 -0.73 -1.97 -3.50 115.58 108.17 1niy h ASN 13 Ca -0.01 -0.86 -0.00 0.00 1.87 0.00 0.00 56.30 57.29 1niy h ASN 13 Cb 1.19 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 39.63 1niy h ASN 13 CO 0.12 1.75 -0.88 -0.67 -0.37 0.00 0.00 177.43 177.38 1niy n ASP 14 N -3.50 -7.99 -1.12 1.15 -0.08 0.17 -4.95 116.55 100.23 1niy n ASP 14 Ca -0.27 1.19 -0.01 0.00 -1.51 0.00 0.00 54.79 54.19 1niy n ASP 14 Cb 1.06 -5.26 0.22 0.00 2.34 0.00 0.00 41.12 39.48 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 0.47 2.28 -2.19 -0.67 6.02 -1.26 -5.03 117.38 117.00 1niy n GLN 15 Ca 0.03 -3.04 -0.32 0.00 -0.01 0.00 0.00 57.00 53.66 1niy n GLN 15 Cb 0.13 -1.85 -0.02 0.00 1.02 0.00 0.00 30.24 29.53 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 7.72 0.00 -0.60 0.00 3.64 -1.93 -2.43 116.57 122.98 1niy h LYS 18 Ca -0.21 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.19 1niy h LYS 18 Cb 1.07 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 1niy h LYS 18 CO 0.98 0.41 0.39 0.77 -2.27 0.00 0.00 179.45 179.74 1niy h SER 19 N 0.00 0.62 -0.64 4.20 0.02 -1.94 -1.26 113.55 114.55 1niy h SER 19 Ca -0.00 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.83 1niy h SER 19 Cb 1.07 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.40 1niy h SER 19 CO 0.05 0.43 0.13 -0.24 -1.14 0.00 0.00 176.83 176.07 1niy n SER 20 N -4.46 5.22 -3.54 3.07 2.88 -1.20 -4.95 113.62 110.64 1niy n SER 20 Ca 0.07 -3.04 -0.25 0.00 -1.33 0.00 0.00 58.87 54.32 1niy n SER 20 Cb 0.11 -0.71 0.05 0.00 -0.75 0.00 0.00 64.21 62.91 1niy n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1niy n ASN 21 N 0.26 -5.81 -4.23 -3.46 2.85 -0.47 -4.86 115.26 99.53 1niy n ASN 21 Ca 0.33 -0.88 -0.31 0.00 -0.11 0.00 0.00 54.58 53.61 1niy n ASN 21 Cb 1.27 -3.90 -0.17 0.00 1.24 0.00 0.00 39.78 38.23 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 -6.00 2.04 0.19 1.20 1.43 -0.92 -1.60 118.68 115.01 1niy s LEU 22 Ca 0.43 -0.49 0.09 0.00 -1.03 0.00 0.00 54.13 53.13 1niy s LEU 22 Cb -0.13 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 1niy s LEU 22 CO 0.83 0.21 -0.19 0.68 0.23 0.00 0.00 176.35 178.10 1niy s VAL 23 N 0.01 1.97 0.47 -1.59 -7.23 0.94 -4.38 120.40 110.59 1niy s VAL 23 Ca -0.08 -2.05 -0.19 0.00 -1.81 0.00 0.00 61.98 57.86 1niy s VAL 23 Cb -0.14 -1.98 -0.10 0.00 0.56 0.00 0.00 36.38 34.72 1niy s VAL 23 CO 0.05 -0.35 0.97 0.00 -0.31 0.00 0.00 175.10 175.46 1niy s SER 25 N -2.54 4.27 -0.20 0.00 0.01 -0.25 -4.84 113.70 110.16 1niy s SER 25 Ca 0.61 -1.19 -0.10 0.00 1.31 0.00 0.00 55.95 56.58 1niy s SER 25 Cb -0.10 -0.37 -0.08 0.00 0.21 0.00 0.00 66.02 65.68 1niy s SER 25 CO 0.21 -0.56 -0.25 -1.14 0.41 0.00 0.00 173.24 171.91 1niy n ARG 26 N -1.19 0.42 -0.15 12.44 0.63 -1.26 -3.14 116.66 124.40 1niy n ARG 26 Ca -0.03 0.18 -0.10 0.00 -0.92 0.00 0.00 57.85 56.98 1niy n ARG 26 Cb 0.65 -1.20 -0.01 0.00 0.45 0.00 0.00 32.46 32.36 1niy n ARG 26 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1niy h LYS 27 N -0.71 0.75 0.00 -0.14 1.63 -2.00 -3.13 116.57 112.97 1niy h LYS 27 Ca -0.49 -0.22 -0.04 0.00 -0.85 0.00 0.00 60.65 59.05 1niy h LYS 27 Cb 1.42 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.97 1niy h LYS 27 CO -0.30 0.80 -1.18 0.72 -3.45 0.00 0.00 179.45 176.04 1niy n HIS 28 N -4.44 0.90 -3.72 1.91 8.25 -1.26 -4.98 115.22 111.88 1niy n HIS 28 Ca -0.00 0.27 -0.22 0.00 -0.26 0.00 0.00 57.72 57.51 1niy n HIS 28 Cb 0.27 -0.96 0.03 0.00 1.12 0.00 0.00 29.99 30.46 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 -2.69 -5.11 -1.72 -0.41 1.74 -1.19 -4.92 116.66 102.36 1niy n ARG 29 Ca -0.03 0.63 -0.01 0.00 -0.77 0.00 0.00 57.85 57.67 1niy n ARG 29 Cb 0.62 -5.25 -0.00 0.00 -1.02 0.00 0.00 32.46 26.80 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 -4.33 -0.60 -3.16 -1.55 4.27 -1.25 -1.35 117.44 109.48 1niy n TRP 30 Ca -0.25 -0.21 -0.42 0.00 -3.89 0.00 0.00 57.50 52.73 1niy n TRP 30 Cb 0.66 0.05 -0.07 0.00 -1.36 0.00 0.00 31.31 30.59 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 2.60 2.11 0.34 0.00 2.20 0.96 -0.28 119.74 127.67 1niy s LYS 32 Ca 0.22 -1.10 -0.28 0.00 -0.36 0.00 0.00 55.97 54.44 1niy s LYS 32 Cb -0.15 -2.26 -0.10 0.00 -1.51 0.00 0.00 37.83 33.81 1niy s LYS 32 CO 0.15 0.48 1.28 -0.47 -0.36 0.00 0.00 175.35 176.43 1niy s TYR 33 N -1.38 3.08 -0.44 4.03 6.14 -1.26 -0.04 117.35 127.47 1niy s TYR 33 Ca 0.23 1.45 -0.28 0.00 0.64 0.00 0.00 57.07 59.11 1niy s TYR 33 Cb -0.10 -3.62 -0.01 0.00 0.42 0.00 0.00 41.96 38.64 1niy s TYR 33 CO 0.14 -1.72 1.73 -2.00 0.64 0.00 0.00 175.55 174.35 1niy s GLU 34 N -1.82 3.15 0.00 4.97 -6.30 -0.63 -4.79 118.70 113.28 1niy s GLU 34 Ca 0.50 1.04 0.00 0.00 -2.50 0.00 0.00 54.97 54.00 1niy s GLU 34 Cb -0.38 -4.22 0.00 0.00 0.00 0.00 0.00 34.13 29.52 1niy s GLU 34 CO 0.51 -2.08 0.00 1.51 0.02 0.00 0.00 175.26 175.21