#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xv3 n SER 2 N 0.00 -2.11 -3.96 0.41 3.41 -1.26 -5.13 113.62 104.97 1xv3 n SER 2 Ca 0.00 -2.84 -0.10 0.00 -0.26 0.00 0.00 58.87 55.66 1xv3 n SER 2 Cb 0.00 0.88 -0.12 0.00 -0.26 0.00 0.00 64.21 64.71 1xv3 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xv3 s SER 3 N -0.19 0.27 -0.48 4.04 0.01 -1.26 -5.09 113.70 111.01 1xv3 s SER 3 Ca 0.32 -0.37 0.06 0.00 1.31 0.00 0.00 55.95 57.27 1xv3 s SER 3 Cb 0.08 0.06 0.27 0.00 0.21 0.00 0.00 66.02 66.64 1xv3 s SER 3 CO -0.14 -0.20 0.96 0.61 0.41 0.00 0.00 173.24 174.88 1xv3 n GLY 4 N 1.99 0.31 2.99 3.44 0.00 -1.26 -5.05 105.19 107.61 1xv3 n GLY 4 Ca -0.21 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1xv3 n GLY 4 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xv3 n TYR 5 N 1.20 -2.89 -3.59 1.61 9.36 -1.26 -5.00 117.16 116.60 1xv3 n TYR 5 Ca 0.08 1.23 -0.28 0.00 3.32 0.00 0.00 57.90 62.25 1xv3 n TYR 5 Cb 0.65 -3.09 -0.11 0.00 -0.63 0.00 0.00 39.34 36.15 1xv3 n TYR 5 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1xv3 s THR 6 N -1.80 1.14 0.27 2.97 2.01 -1.26 -5.05 115.64 113.91 1xv3 s THR 6 Ca 0.15 -2.88 0.00 0.00 0.31 0.00 0.00 61.69 59.27 1xv3 s THR 6 Cb -0.03 -1.78 0.00 0.00 0.01 0.00 0.00 72.50 70.70 1xv3 s THR 6 CO 0.66 -1.08 0.00 -1.14 -0.69 0.00 0.00 174.62 172.37 1xv3 n ARG 7 N 2.95 -3.44 -2.34 4.92 0.63 -1.26 -4.92 116.66 113.20 1xv3 n ARG 7 Ca 0.21 2.49 -0.37 0.00 -0.92 0.00 0.00 57.85 59.26 1xv3 n ARG 7 Cb 0.41 -2.75 -0.02 0.00 0.45 0.00 0.00 32.46 30.55 1xv3 n ARG 7 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1xv3 s PRO 8 N -2.96 3.86 -0.10 -0.14 0.04 -1.26 -5.02 135.00 129.42 1xv3 s PRO 8 Ca 0.00 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 62.58 1xv3 s PRO 8 Cb 0.00 -2.43 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1xv3 s PRO 8 CO 0.00 -0.44 0.37 -0.48 0.04 0.00 0.00 177.00 176.49 1xv3 s LEU 9 N -2.94 4.33 -0.22 -3.56 0.05 -1.26 -5.06 118.68 110.01 1xv3 s LEU 9 Ca 0.62 0.73 -0.03 0.00 0.05 0.00 0.00 54.13 55.50 1xv3 s LEU 9 Cb -0.26 -2.51 0.11 0.00 -2.05 0.00 0.00 46.19 41.47 1xv3 s LEU 9 CO 0.32 0.16 0.28 -0.60 -0.55 0.00 0.00 176.35 175.96 1xv3 s ARG 10 N -0.03 0.25 0.31 1.48 3.52 -1.26 -5.14 118.95 118.08 1xv3 s ARG 10 Ca 0.21 0.30 -0.25 0.00 -0.13 0.00 0.00 55.73 55.86 1xv3 s ARG 10 Cb -0.15 -0.93 -0.10 0.00 -1.56 0.00 0.00 34.95 32.22 1xv3 s ARG 10 CO 0.09 -0.67 0.91 0.21 -0.81 0.00 0.00 175.30 175.02 1xv3 s LYS 11 N 2.40 4.52 0.00 5.12 2.20 -1.26 -5.07 119.74 127.66 1xv3 s LYS 11 Ca 0.09 1.25 0.00 0.00 -0.36 0.00 0.00 55.97 56.95 1xv3 s LYS 11 Cb -0.16 -2.79 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 1xv3 s LYS 11 CO -0.15 0.29 0.00 -0.35 -0.36 0.00 0.00 175.35 174.78 1xv3 n PRO 12 N 0.55 0.98 -1.61 4.03 -0.04 -1.26 -4.96 135.00 132.70 1xv3 n PRO 12 Ca 0.01 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.08 1xv3 n PRO 12 Cb 0.50 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.00 1xv3 n PRO 12 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xv3 n SER 13 N -0.03 1.02 -4.69 3.54 7.64 -1.26 -4.85 113.62 115.00 1xv3 n SER 13 Ca 0.00 0.91 -0.42 0.00 1.01 0.00 0.00 58.87 60.37 1xv3 n SER 13 Cb 0.00 -1.38 -0.03 0.00 -1.01 0.00 0.00 64.21 61.79 1xv3 n SER 13 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1xv3 s ARG 14 N -2.41 4.17 0.94 1.43 1.81 -1.26 -4.98 118.95 118.64 1xv3 s ARG 14 Ca 0.70 2.45 -0.14 0.00 -1.72 0.00 0.00 55.73 57.02 1xv3 s ARG 14 Cb -0.47 -3.63 0.16 0.00 -0.45 0.00 0.00 34.95 30.56 1xv3 s ARG 14 CO 0.52 -0.79 1.21 -1.25 -0.68 0.00 0.00 175.30 174.31 1xv3 s PRO 15 N 2.78 0.90 0.93 3.54 0.04 -1.26 -5.02 135.00 136.90 1xv3 s PRO 15 Ca 0.77 -0.04 -0.10 0.00 0.04 0.00 0.00 61.00 61.67 1xv3 s PRO 15 Cb -0.42 -1.84 0.16 0.00 0.04 0.00 0.00 34.50 32.43 1xv3 s PRO 15 CO 0.34 -2.30 1.13 0.96 0.04 0.00 0.00 177.00 177.17 1xv3 s ILE 16 N -3.53 2.13 0.12 0.56 -4.36 -1.26 -5.05 121.20 109.82 1xv3 s ILE 16 Ca 0.68 0.04 -0.03 0.00 -0.26 0.00 0.00 60.65 61.08 1xv3 s ILE 16 Cb -0.09 -2.10 -0.03 0.00 1.25 0.00 0.00 42.46 41.49 1xv3 s ILE 16 CO 0.52 -0.06 0.09 0.12 0.24 0.00 0.00 174.94 175.86 1xv3 s PHE 17 N -2.65 0.71 1.12 1.37 5.36 -1.26 -5.16 117.98 117.47 1xv3 s PHE 17 Ca 0.67 -1.10 -0.16 0.00 -0.96 0.00 0.00 56.93 55.37 1xv3 s PHE 17 Cb -0.23 -0.37 0.25 0.00 -0.34 0.00 0.00 43.02 42.33 1xv3 s PHE 17 CO 0.59 -0.54 1.11 0.96 -1.46 0.00 0.00 175.22 175.87 1xv3 s ILE 18 N -4.01 1.77 -0.07 3.12 -4.36 -1.26 -4.97 121.20 111.41 1xv3 s ILE 18 Ca 0.20 0.00 -0.26 0.00 -0.26 0.00 0.00 60.65 60.32 1xv3 s ILE 18 Cb 0.07 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.25 1xv3 s ILE 18 CO -0.01 0.00 0.84 -0.60 0.24 0.00 0.00 174.94 175.42 1xv3 s ARG 19 N -5.23 4.44 0.76 0.37 6.06 -1.26 -5.04 118.95 119.06 1xv3 s ARG 19 Ca 0.69 1.13 -0.11 0.00 -2.50 0.00 0.00 55.73 54.93 1xv3 s ARG 19 Cb -0.13 -3.49 0.05 0.00 0.06 0.00 0.00 34.95 31.44 1xv3 s ARG 19 CO 0.57 -0.09 1.08 -1.25 -2.50 0.00 0.00 175.30 173.10 1xv3 s PRO 20 N 1.28 2.34 0.78 5.12 0.04 -1.26 -5.04 135.00 138.26 1xv3 s PRO 20 Ca 0.43 0.98 -0.12 0.00 0.04 0.00 0.00 61.00 62.33 1xv3 s PRO 20 Cb -0.19 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.49 1xv3 s PRO 20 CO 0.20 -1.53 1.12 0.42 0.04 0.00 0.00 177.00 177.26 1xv3 s ILE 21 N -2.99 2.81 0.00 0.56 -1.09 -1.26 -4.35 121.20 114.88 1xv3 s ILE 21 Ca 0.60 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 59.29 1xv3 s ILE 21 Cb -0.16 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 1xv3 s ILE 21 CO 0.56 -0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.53 1xv3 n GLY 22 N -2.79 2.59 0.19 6.18 0.00 -1.26 -4.73 105.19 105.36 1xv3 n GLY 22 Ca 0.07 -0.70 0.04 0.00 0.00 0.00 0.00 46.02 45.43 1xv3 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xv3 n ASP 24 N -4.05 1.91 -3.15 0.00 8.00 -1.26 -4.16 116.55 113.84 1xv3 n ASP 24 Ca -0.02 -2.17 -0.19 0.00 0.71 0.00 0.00 54.79 53.12 1xv3 n ASP 24 Cb 0.39 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 1xv3 n ASP 24 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1xv3 n VAL 25 N 0.16 -0.31 -0.05 2.53 0.31 -0.80 -4.95 118.33 115.22 1xv3 n VAL 25 Ca 0.08 -4.16 0.25 0.00 -0.01 0.00 0.00 64.34 60.50 1xv3 n VAL 25 Cb 0.40 -0.61 0.65 0.00 -0.91 0.00 0.00 33.84 33.36 1xv3 n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xv3 s TYR 27 N -4.58 3.11 0.00 0.00 2.02 -1.26 -4.42 117.35 112.22 1xv3 s TYR 27 Ca -0.04 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1xv3 s TYR 27 Cb 0.16 -2.09 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 1xv3 s TYR 27 CO 0.54 -0.10 0.00 0.41 -1.57 0.00 0.00 175.55 174.83 1xv3 n GLY 28 N 4.04 1.48 3.88 0.71 0.00 -1.26 -5.08 105.19 108.95 1xv3 n GLY 28 Ca -0.17 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 1xv3 n GLY 28 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xv3 s ILE 29 N -1.34 3.98 0.58 -0.61 -4.36 -1.25 -5.04 121.20 113.16 1xv3 s ILE 29 Ca 0.00 0.57 -0.17 0.00 -0.26 0.00 0.00 60.65 60.79 1xv3 s ILE 29 Cb 0.00 -3.63 -0.04 0.00 1.25 0.00 0.00 42.46 40.04 1xv3 s ILE 29 CO 0.00 -0.81 1.07 -2.16 0.24 0.00 0.00 174.94 173.28 1xv3 s PRO 30 N -5.25 3.34 0.32 0.37 0.04 -1.26 -4.86 135.00 127.71 1xv3 s PRO 30 Ca 0.56 1.30 0.02 0.00 0.04 0.00 0.00 61.00 62.93 1xv3 s PRO 30 Cb -0.11 -2.03 0.60 0.00 0.04 0.00 0.00 34.50 33.00 1xv3 s PRO 30 CO 0.52 -0.80 1.93 1.03 0.04 0.00 0.00 177.00 179.72 1xv3 h SER 31 N 0.67 0.82 -0.36 6.66 0.87 -1.98 -1.09 113.55 119.13 1xv3 h SER 31 Ca -0.48 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.04 1xv3 h SER 31 Cb 1.23 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.00 1xv3 h SER 31 CO 0.57 0.53 0.06 -1.28 -0.53 0.00 0.00 176.83 176.18 1xv3 h SER 32 N 0.93 0.58 -0.61 6.23 0.87 -2.00 -1.91 113.55 117.64 1xv3 h SER 32 Ca 0.35 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 1xv3 h SER 32 Cb 0.19 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1xv3 h SER 32 CO -0.12 0.69 0.13 0.74 -0.53 0.00 0.00 176.83 177.74 1xv3 h THR 33 N 0.44 1.26 -0.97 2.23 2.02 -1.81 -1.96 112.91 114.11 1xv3 h THR 33 Ca 0.11 -0.95 0.06 0.00 0.77 0.00 0.00 66.41 66.41 1xv3 h THR 33 Cb 0.35 0.69 -0.07 0.00 -1.74 0.00 0.00 68.15 67.39 1xv3 h THR 33 CO 0.01 0.35 0.62 0.00 0.37 0.00 0.00 175.52 176.87 1xv3 h ALA 34 N 1.03 1.34 -0.55 6.16 0.00 -1.01 0.30 119.26 126.53 1xv3 h ALA 34 Ca 0.19 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1xv3 h ALA 34 Cb 0.38 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1xv3 h ALA 34 CO 0.01 0.42 0.01 0.00 0.00 0.00 0.00 179.25 179.68 1xv3 h ARG 35 N 1.14 0.96 -0.67 0.00 2.47 -0.95 -0.42 114.38 116.91 1xv3 h ARG 35 Ca 0.42 -0.30 -0.07 0.00 -1.26 0.00 0.00 59.98 58.76 1xv3 h ARG 35 Cb 0.15 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 1xv3 h ARG 35 CO -0.17 0.96 0.14 1.25 0.56 0.00 0.00 179.97 182.71 1xv3 h LEU 36 N 0.84 1.04 -0.67 3.04 5.85 -0.49 0.20 115.31 125.11 1xv3 h LEU 36 Ca 0.16 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 1xv3 h LEU 36 Cb 0.52 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1xv3 h LEU 36 CO 0.03 1.02 0.15 0.00 -0.34 0.00 0.00 178.44 179.29 1xv3 h PHE 39 N 0.52 0.95 0.00 0.00 3.57 -0.42 -2.71 116.94 118.85 1xv3 h PHE 39 Ca -0.02 -0.21 -0.06 0.00 3.53 0.00 0.00 57.97 61.21 1xv3 h PHE 39 Cb 1.28 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1xv3 h PHE 39 CO 0.07 0.96 -1.17 0.54 -2.23 0.00 0.00 178.31 176.47 1xv3 n ARG 40 N -4.13 0.53 0.09 1.11 1.74 -0.29 -4.71 116.66 111.01 1xv3 n ARG 40 Ca 0.01 0.23 -0.22 0.00 -0.77 0.00 0.00 57.85 57.10 1xv3 n ARG 40 Cb 0.42 -1.45 -0.13 0.00 -1.02 0.00 0.00 32.46 30.29 1xv3 n ARG 40 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1xv3 h TYR 41 N -1.00 1.00 0.00 -1.55 -1.99 -0.87 -3.48 116.97 109.08 1xv3 h TYR 41 Ca -0.09 -0.62 0.00 0.00 2.00 0.00 0.00 58.73 60.02 1xv3 h TYR 41 Cb 1.06 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.71 1xv3 h TYR 41 CO -0.38 1.46 0.00 0.41 -0.00 0.00 0.00 178.16 179.65 1xv3 n GLY 42 N 1.35 1.04 3.66 3.88 0.00 0.15 -4.96 105.19 110.31 1xv3 n GLY 42 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1xv3 n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xv3 s ASP 43 N -2.00 4.67 -1.20 1.61 1.01 -1.17 -4.63 116.67 114.95 1xv3 s ASP 43 Ca 0.00 -0.57 -0.08 0.00 0.71 0.00 0.00 52.55 52.61 1xv3 s ASP 43 Cb 0.00 -0.92 0.01 0.00 1.01 0.00 0.00 42.92 43.02 1xv3 s ASP 43 CO 0.00 0.01 1.02 0.00 0.21 0.00 0.00 175.17 176.41 1xv3 s HIS 46 N -1.77 3.14 -1.36 0.00 2.46 -1.26 -5.05 115.29 111.45 1xv3 s HIS 46 Ca -0.05 -1.66 0.11 0.00 0.47 0.00 0.00 55.06 53.93 1xv3 s HIS 46 Cb 0.01 -4.43 0.09 0.00 -0.13 0.00 0.00 32.58 28.11 1xv3 s HIS 46 CO 0.10 -1.57 0.84 -0.11 -2.47 0.00 0.00 174.74 171.53