#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lup n GLN 3 N 0.36 0.00 0.00 0.00 1.13 -1.26 -4.61 117.38 113.00 1lup n GLN 3 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1lup n GLN 3 Cb 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 30.24 30.21 1lup n GLN 3 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1lup n LYS 4 N -1.81 0.00 -0.95 -1.09 4.76 -1.26 -4.94 118.16 112.87 1lup n LYS 4 Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 1lup n LYS 4 Cb 0.00 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.23 1lup n LYS 4 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 1lup n TRP 5 N -0.33 -4.82 -1.53 2.13 -0.00 -1.26 -1.80 117.44 109.84 1lup n TRP 5 Ca 0.00 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.50 57.38 1lup n TRP 5 Cb 0.00 -1.36 -0.04 0.00 -0.00 0.00 0.00 31.31 29.91 1lup n TRP 5 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1lup n MET 6 N 2.30 -1.44 -2.46 5.87 0.00 0.28 -4.74 117.12 116.93 1lup n MET 6 Ca -0.01 0.62 -0.41 0.00 0.00 0.00 0.00 57.70 57.90 1lup n MET 6 Cb 0.52 -4.90 -0.04 0.00 0.00 0.00 0.00 33.22 28.81 1lup n MET 6 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 1lup s TRP 7 N -2.04 3.52 0.32 3.17 -0.11 -0.74 -3.94 118.94 119.12 1lup s TRP 7 Ca 0.00 1.51 -0.29 0.00 1.22 0.00 0.00 56.10 58.54 1lup s TRP 7 Cb 0.00 -3.34 -0.12 0.00 -1.50 0.00 0.00 33.47 28.51 1lup s TRP 7 CO 0.00 -0.86 1.50 -2.37 -4.62 0.00 0.00 176.95 170.59 1lup n THR 8 N 2.59 1.46 -4.36 5.86 5.66 -1.26 -0.32 114.28 123.91 1lup n THR 8 Ca 0.04 -0.37 -0.19 0.00 -3.05 0.00 0.00 64.05 60.48 1lup n THR 8 Cb 0.46 -1.85 -0.10 0.00 -1.55 0.00 0.00 70.33 67.28 1lup n THR 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1lup n ASP 10 N -0.42 0.00 -0.10 0.00 8.00 -1.26 -4.60 116.55 118.17 1lup n ASP 10 Ca -0.07 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.19 1lup n ASP 10 Cb 0.61 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.59 1lup n ASP 10 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1lup n GLU 11 N -0.27 0.61 -3.59 -1.24 0.28 -1.26 -4.86 120.64 110.31 1lup n GLU 11 Ca 0.00 0.40 -0.29 0.00 -0.16 0.00 0.00 57.16 57.11 1lup n GLU 11 Cb 0.00 -1.64 -0.15 0.00 1.43 0.00 0.00 31.44 31.08 1lup n GLU 11 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1lup s GLU 12 N -2.45 0.35 -0.33 3.44 -1.05 -1.26 -5.11 118.70 112.30 1lup s GLU 12 Ca -0.32 -0.72 -0.11 0.00 -0.15 0.00 0.00 54.97 53.67 1lup s GLU 12 Cb 0.09 -1.39 -0.01 0.00 -0.44 0.00 0.00 34.13 32.38 1lup s GLU 12 CO 0.59 -1.02 0.20 0.50 0.95 0.00 0.00 175.26 176.47 1lup s ARG 13 N 1.91 3.41 0.00 -4.83 3.52 -1.26 -5.00 118.95 116.70 1lup s ARG 13 Ca 0.10 -0.69 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 1lup s ARG 13 Cb -0.17 -3.69 0.00 0.00 -1.56 0.00 0.00 34.95 29.53 1lup s ARG 13 CO -0.32 -0.43 0.00 1.63 -0.81 0.00 0.00 175.30 175.37 1lup n LYS 14 N 5.04 0.00 -0.50 5.12 4.76 -1.26 -4.93 118.16 126.39 1lup n LYS 14 Ca -0.13 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.38 1lup n LYS 14 Cb 0.49 -0.05 -0.02 0.00 -1.84 0.00 0.00 35.03 33.62 1lup n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1lup n GLU 17 N -1.67 0.08 -0.67 0.00 2.13 -1.26 -2.89 120.64 116.36 1lup n GLU 17 Ca 0.03 0.21 -0.06 0.00 0.66 0.00 0.00 57.16 58.00 1lup n GLU 17 Cb 0.63 -1.50 0.18 0.00 0.27 0.00 0.00 31.44 31.02 1lup n GLU 17 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1lup n GLY 18 N -0.02 3.01 3.48 8.31 0.00 -1.26 -4.91 105.19 113.79 1lup n GLY 18 Ca 0.05 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 1lup n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lup s LEU 19 N -1.90 0.97 0.43 0.99 1.43 -1.14 -4.45 118.68 115.01 1lup s LEU 19 Ca 0.35 -1.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.05 1lup s LEU 19 Cb 0.28 1.40 -0.03 0.00 0.03 0.00 0.00 46.19 47.87 1lup s LEU 19 CO 0.08 -1.24 0.07 -0.69 0.23 0.00 0.00 176.35 174.80 1lup s VAL 20 N -3.25 0.95 -0.31 -1.59 1.01 -1.19 -4.96 120.40 111.07 1lup s VAL 20 Ca 0.30 -2.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.26 1lup s VAL 20 Cb 0.00 -2.40 0.05 0.00 0.00 0.00 0.00 36.38 34.03 1lup s VAL 20 CO 0.19 0.00 0.03 0.00 0.00 0.00 0.00 175.10 175.32 1lup s ARG 22 N 1.27 0.29 0.00 0.00 0.52 -1.26 -4.99 118.95 114.78 1lup s ARG 22 Ca -0.04 0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.39 1lup s ARG 22 Cb -0.20 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.38 1lup s ARG 22 CO -0.01 -0.52 0.00 -0.11 0.02 0.00 0.00 175.30 174.68 1lup n LEU 23 N 5.03 0.00 -3.77 2.53 -0.00 -1.26 -4.58 117.00 114.95 1lup n LEU 23 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.96 1lup n LEU 23 Cb 0.57 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.89 1lup n LEU 23 CO -0.12 0.00 -0.01 -1.66 -0.00 0.00 0.00 177.39 175.59 1lup s TRP 24 N 0.00 -0.27 -0.50 1.96 -2.14 -1.26 -3.38 118.94 113.34 1lup s TRP 24 Ca 0.00 0.61 -0.39 0.00 2.66 0.00 0.00 56.10 58.98 1lup s TRP 24 Cb 0.00 0.10 -0.16 0.00 -3.10 0.00 0.00 33.47 30.31 1lup s TRP 24 CO 0.00 -0.24 2.22 0.00 -2.66 0.00 0.00 176.95 176.27 1lup s LYS 26 N 6.46 3.96 0.32 0.00 1.02 -1.23 0.99 119.74 131.27 1lup s LYS 26 Ca 1.18 0.54 -0.05 0.00 0.02 0.00 0.00 55.97 57.65 1lup s LYS 26 Cb -1.23 -2.61 0.08 0.00 -0.52 0.00 0.00 37.83 33.55 1lup s LYS 26 CO 0.58 0.27 0.40 2.89 -0.92 0.00 0.00 175.35 178.57 1lup n ARG 27 N -0.04 -0.66 -5.26 1.68 0.00 -1.26 -3.15 116.66 107.97 1lup n ARG 27 Ca 0.01 -0.62 -0.31 0.00 -0.00 0.00 0.00 57.85 56.92 1lup n ARG 27 Cb 0.52 -0.45 -0.16 0.00 -0.00 0.00 0.00 32.46 32.38 1lup n ARG 27 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1lup s ILE 28 N -1.85 2.16 -0.33 8.89 -5.25 -1.26 -4.81 121.20 118.74 1lup s ILE 28 Ca 0.23 -1.06 -0.17 0.00 -0.99 0.00 0.00 60.65 58.66 1lup s ILE 28 Cb -0.01 -1.76 -0.01 0.00 2.95 0.00 0.00 42.46 43.63 1lup s ILE 28 CO 0.17 0.58 0.45 -0.63 -1.79 0.00 0.00 174.94 173.72 1lup s ILE 29 N -0.57 5.08 -0.41 8.37 1.01 -1.26 -4.59 121.20 128.82 1lup s ILE 29 Ca 0.09 0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.90 1lup s ILE 29 Cb -0.10 -3.89 0.02 0.00 0.01 0.00 0.00 42.46 38.50 1lup s ILE 29 CO -0.00 -0.12 0.51 -3.20 0.00 0.00 0.00 174.94 172.12 1lup n ASN 30 N 5.58 -7.98 0.00 3.58 2.85 -1.26 -5.31 115.26 112.71 1lup n ASN 30 Ca -0.06 0.67 0.00 0.00 -0.11 0.00 0.00 54.58 55.08 1lup n ASN 30 Cb 0.49 -5.40 0.00 0.00 1.24 0.00 0.00 39.78 36.11 1lup n ASN 30 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38