#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 -7.65 -3.78 0.26 2.88 -1.26 -4.95 113.62 99.13 1xv3 n SER 2 Ca 0.00 0.73 -0.14 0.00 -1.33 0.00 0.00 58.87 58.13 1xv3 n SER 2 Cb 0.00 -4.02 -0.15 0.00 -0.75 0.00 0.00 64.21 59.29 1xv3 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1xv3 s SER 3 N -6.79 -0.02 0.42 -3.46 1.04 -1.26 -5.14 113.70 98.49 1xv3 s SER 3 Ca 0.00 0.16 -0.23 0.00 0.48 0.00 0.00 55.95 56.35 1xv3 s SER 3 Cb 0.00 0.06 -0.09 0.00 0.10 0.00 0.00 66.02 66.10 1xv3 s SER 3 CO 0.00 -0.12 1.06 -0.83 0.98 0.00 0.00 173.24 174.33 1xv3 s GLY 4 N 0.92 2.69 0.36 7.32 0.00 -1.26 -4.81 107.32 112.54 1xv3 s GLY 4 Ca -0.07 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.36 1xv3 s GLY 4 CO -0.04 1.12 0.00 2.98 0.00 0.00 0.00 173.10 177.16 1xv3 n TYR 5 N -0.31 -2.88 -2.34 1.90 4.19 -1.26 -4.45 117.16 112.01 1xv3 n TYR 5 Ca 0.06 1.54 -0.43 0.00 3.31 0.00 0.00 57.90 62.38 1xv3 n TYR 5 Cb 0.50 -2.63 -0.02 0.00 0.49 0.00 0.00 39.34 37.68 1xv3 n TYR 5 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 1xv3 s THR 6 N -3.41 4.01 -0.85 2.97 2.01 -1.26 -3.82 115.64 115.29 1xv3 s THR 6 Ca 0.00 1.12 -0.04 0.00 0.31 0.00 0.00 61.69 63.09 1xv3 s THR 6 Cb 0.00 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 1xv3 s THR 6 CO 0.00 -0.48 0.72 -1.14 -0.69 0.00 0.00 174.62 173.04 1xv3 n ARG 7 N 7.50 -1.47 -2.51 4.92 0.63 -1.26 -4.95 116.66 119.53 1xv3 n ARG 7 Ca 0.16 1.14 -0.35 0.00 -0.92 0.00 0.00 57.85 57.87 1xv3 n ARG 7 Cb 0.46 -4.90 -0.03 0.00 0.45 0.00 0.00 32.46 28.44 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 -3.95 3.91 0.66 -0.14 0.04 -1.25 -5.02 135.00 129.25 1xv3 s PRO 8 Ca 0.12 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 62.47 1xv3 s PRO 8 Cb -0.03 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1xv3 s PRO 8 CO 0.79 -0.35 1.13 -0.48 0.04 0.00 0.00 177.00 178.12 1xv3 s LEU 9 N -3.15 3.40 -0.37 -3.56 0.05 -1.26 -5.01 118.68 108.78 1xv3 s LEU 9 Ca 0.64 2.07 -0.06 0.00 0.05 0.00 0.00 54.13 56.83 1xv3 s LEU 9 Cb -0.20 -4.56 0.06 0.00 -2.05 0.00 0.00 46.19 39.45 1xv3 s LEU 9 CO 0.24 -1.71 0.15 -0.60 -0.55 0.00 0.00 176.35 173.87 1xv3 s ARG 10 N -4.00 2.48 -0.28 1.48 3.52 -1.26 -5.05 118.95 115.84 1xv3 s ARG 10 Ca 0.69 -1.37 -0.17 0.00 -0.13 0.00 0.00 55.73 54.74 1xv3 s ARG 10 Cb -0.22 -3.52 0.11 0.00 -1.56 0.00 0.00 34.95 29.76 1xv3 s ARG 10 CO 0.41 -0.80 0.85 0.15 -0.81 0.00 0.00 175.30 175.10 1xv3 s LYS 11 N 1.34 0.54 0.00 5.12 1.02 -1.26 -5.17 119.74 121.33 1xv3 s LYS 11 Ca 0.01 0.91 0.00 0.00 0.02 0.00 0.00 55.97 56.91 1xv3 s LYS 11 Cb -0.21 0.12 0.00 0.00 -0.52 0.00 0.00 37.83 37.22 1xv3 s LYS 11 CO 0.01 -0.11 0.00 -0.35 -0.92 0.00 0.00 175.35 173.98 1xv3 n PRO 12 N 3.85 0.88 -1.71 -1.68 -0.04 -1.26 -4.92 135.00 130.12 1xv3 n PRO 12 Ca -0.19 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.85 1xv3 n PRO 12 Cb 0.58 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.01 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 -0.29 4.03 -4.44 3.54 7.64 -1.26 -4.97 113.62 117.87 1xv3 n SER 13 Ca 0.00 1.03 -0.34 0.00 1.01 0.00 0.00 58.87 60.57 1xv3 n SER 13 Cb 0.00 -1.57 -0.13 0.00 -1.01 0.00 0.00 64.21 61.51 1xv3 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xv3 s ARG 14 N 1.77 3.58 0.93 1.43 1.70 -1.26 -5.11 118.95 122.00 1xv3 s ARG 14 Ca 0.78 -0.55 -0.16 0.00 -0.47 0.00 0.00 55.73 55.33 1xv3 s ARG 14 Cb -0.49 -2.94 0.23 0.00 -0.57 0.00 0.00 34.95 31.17 1xv3 s ARG 14 CO 0.34 0.11 0.97 -0.35 -1.08 0.00 0.00 175.30 175.29 1xv3 n PRO 15 N 3.91 -2.13 -0.58 3.89 -0.04 -1.26 -5.03 135.00 133.75 1xv3 n PRO 15 Ca -0.17 -1.53 -0.29 0.00 -0.04 0.00 0.00 63.50 61.47 1xv3 n PRO 15 Cb 0.52 -1.26 0.26 0.00 -0.04 0.00 0.00 33.50 32.98 1xv3 n PRO 15 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1xv3 s ILE 16 N -2.91 1.64 0.72 0.52 -4.36 -1.26 -4.93 121.20 110.63 1xv3 s ILE 16 Ca 0.60 0.00 -0.16 0.00 -0.26 0.00 0.00 60.65 60.82 1xv3 s ILE 16 Cb -0.04 -2.15 -0.03 0.00 1.25 0.00 0.00 42.46 41.49 1xv3 s ILE 16 CO 0.44 0.00 0.60 2.22 0.24 0.00 0.00 174.94 178.44 1xv3 n PHE 17 N -5.16 -0.56 -1.80 1.37 -1.74 -1.26 -4.87 117.46 103.45 1xv3 n PHE 17 Ca 0.08 0.36 -0.41 0.00 -0.56 0.00 0.00 57.45 56.91 1xv3 n PHE 17 Cb 0.57 -1.94 -0.00 0.00 1.52 0.00 0.00 39.48 39.63 1xv3 n PHE 17 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 1xv3 s ILE 18 N -1.90 2.05 -0.11 1.97 1.01 -1.26 -4.99 121.20 117.96 1xv3 s ILE 18 Ca 0.67 0.05 -0.03 0.00 0.00 0.00 0.00 60.65 61.34 1xv3 s ILE 18 Cb -0.35 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 1xv3 s ILE 18 CO 0.57 0.01 -0.01 0.00 0.00 0.00 0.00 174.94 175.51 1xv3 s ARG 19 N -1.79 3.24 1.12 2.79 3.03 -1.26 -5.11 118.95 120.98 1xv3 s ARG 19 Ca 0.55 -0.45 -0.17 0.00 2.03 0.00 0.00 55.73 57.70 1xv3 s ARG 19 Cb -0.47 -2.85 0.25 0.00 -1.03 0.00 0.00 34.95 30.86 1xv3 s ARG 19 CO 0.60 0.53 1.11 -1.25 -1.13 0.00 0.00 175.30 175.17 1xv3 s PRO 20 N -0.42 -0.60 0.80 3.89 0.04 -1.26 -5.03 135.00 132.42 1xv3 s PRO 20 Ca 0.07 0.12 -0.12 0.00 0.04 0.00 0.00 61.00 61.11 1xv3 s PRO 20 Cb -0.12 -1.65 0.07 0.00 0.04 0.00 0.00 34.50 32.84 1xv3 s PRO 20 CO 0.02 -3.33 1.14 0.42 0.04 0.00 0.00 177.00 175.29 1xv3 s ILE 21 N -3.02 2.55 0.00 0.56 1.01 -1.26 -4.32 121.20 116.72 1xv3 s ILE 21 Ca 0.69 0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.52 1xv3 s ILE 21 Cb -0.13 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1xv3 s ILE 21 CO 0.56 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.88 1xv3 n GLY 22 N -2.83 2.67 0.19 6.18 0.00 -1.26 -4.72 105.19 105.41 1xv3 n GLY 22 Ca 0.07 -0.70 0.01 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.08 0.00 -3.20 0.00 8.00 -1.26 -3.94 116.55 112.07 1xv3 n ASP 24 Ca -0.02 -0.56 -0.22 0.00 0.71 0.00 0.00 54.79 54.70 1xv3 n ASP 24 Cb 0.42 -0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.43 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 -1.02 -0.80 0.17 2.53 0.31 -0.90 -4.97 118.33 113.65 1xv3 n VAL 25 Ca 0.14 -3.37 0.18 0.00 -0.01 0.00 0.00 64.34 61.28 1xv3 n VAL 25 Cb 0.07 -1.35 0.67 0.00 -0.91 0.00 0.00 33.84 32.32 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 -4.35 3.18 0.00 0.00 2.02 -1.26 -4.40 117.35 112.54 1xv3 s TYR 27 Ca -0.03 -0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.60 1xv3 s TYR 27 Cb 0.11 -2.09 0.00 0.00 -0.40 0.00 0.00 41.96 39.59 1xv3 s TYR 27 CO 0.39 0.03 0.00 0.41 -1.57 0.00 0.00 175.55 174.81 1xv3 n GLY 28 N 3.79 2.19 3.87 0.71 0.00 -1.26 -5.09 105.19 109.40 1xv3 n GLY 28 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.18 4.10 0.64 -0.61 -4.36 -1.26 -5.04 121.20 112.49 1xv3 s ILE 29 Ca 0.00 0.68 -0.14 0.00 -0.26 0.00 0.00 60.65 60.93 1xv3 s ILE 29 Cb 0.00 -3.65 -0.01 0.00 1.25 0.00 0.00 42.46 40.05 1xv3 s ILE 29 CO 0.00 -0.89 1.07 -2.16 0.24 0.00 0.00 174.94 173.20 1xv3 s PRO 30 N -5.25 3.06 0.25 0.37 0.04 -1.26 -4.85 135.00 127.36 1xv3 s PRO 30 Ca 0.57 1.15 -0.04 0.00 0.04 0.00 0.00 61.00 62.73 1xv3 s PRO 30 Cb -0.11 -2.00 0.38 0.00 0.04 0.00 0.00 34.50 32.81 1xv3 s PRO 30 CO 0.53 -1.02 1.86 1.03 0.04 0.00 0.00 177.00 179.45 1xv3 h SER 31 N -0.06 0.92 -0.51 6.66 0.87 -1.99 -1.05 113.55 118.38 1xv3 h SER 31 Ca -0.46 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.09 1xv3 h SER 31 Cb 1.22 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 1xv3 h SER 31 CO 0.56 0.57 0.20 -1.28 -0.53 0.00 0.00 176.83 176.35 1xv3 h SER 32 N 1.05 0.71 -0.64 6.23 0.87 -2.00 -2.00 113.55 117.76 1xv3 h SER 32 Ca 0.41 -0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.73 1xv3 h SER 32 Cb 0.21 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 1xv3 h SER 32 CO -0.18 0.69 0.16 0.74 -0.53 0.00 0.00 176.83 177.71 1xv3 h THR 33 N 0.68 1.25 -0.78 2.23 2.02 -1.80 -2.32 112.91 114.20 1xv3 h THR 33 Ca 0.17 -0.92 0.06 0.00 0.77 0.00 0.00 66.41 66.49 1xv3 h THR 33 Cb 0.21 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.19 1xv3 h THR 33 CO -0.01 0.35 0.46 0.00 0.37 0.00 0.00 175.52 176.69 1xv3 h ALA 34 N 1.06 1.06 -0.56 6.16 0.00 -0.87 0.44 119.26 126.56 1xv3 h ALA 34 Ca 0.20 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1xv3 h ALA 34 Cb 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1xv3 h ALA 34 CO 0.00 0.16 0.13 0.00 0.00 0.00 0.00 179.25 179.54 1xv3 h ARG 35 N 0.83 0.91 -0.31 0.00 3.08 -1.06 -0.97 114.38 116.86 1xv3 h ARG 35 Ca 0.35 -0.22 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 1xv3 h ARG 35 Cb 0.20 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1xv3 h ARG 35 CO -0.18 0.85 -0.35 1.25 -1.07 0.00 0.00 179.97 180.47 1xv3 h LEU 36 N 0.81 0.74 -1.13 3.04 5.85 -0.80 0.18 115.31 124.01 1xv3 h LEU 36 Ca 0.18 -0.31 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 1xv3 h LEU 36 Cb 0.36 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1xv3 h LEU 36 CO 0.00 1.02 -0.35 0.00 -0.34 0.00 0.00 178.44 178.78 1xv3 h PHE 39 N 0.05 1.07 0.00 0.00 3.57 -0.55 -2.69 116.94 118.39 1xv3 h PHE 39 Ca -0.28 -0.34 -0.28 0.00 3.53 0.00 0.00 57.97 60.60 1xv3 h PHE 39 Cb 2.01 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 40.49 1xv3 h PHE 39 CO 0.05 1.15 -1.82 0.54 -2.23 0.00 0.00 178.31 176.00 1xv3 n ARG 40 N -4.09 0.56 0.08 1.11 1.74 -0.50 -4.67 116.66 110.90 1xv3 n ARG 40 Ca -0.03 0.31 -0.17 0.00 -0.77 0.00 0.00 57.85 57.18 1xv3 n ARG 40 Cb 0.55 -1.52 -0.14 0.00 -1.02 0.00 0.00 32.46 30.33 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 0.52 0.00 -1.55 -1.99 -1.56 -3.48 116.97 107.91 1xv3 h TYR 41 Ca -0.42 -0.38 0.00 0.00 2.00 0.00 0.00 58.73 59.93 1xv3 h TYR 41 Cb 1.33 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.04 1xv3 h TYR 41 CO -0.17 1.38 0.00 0.41 -0.00 0.00 0.00 178.16 179.78 1xv3 n GLY 42 N 1.64 0.94 3.84 3.88 0.00 0.94 -4.96 105.19 111.47 1xv3 n GLY 42 Ca -0.15 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.03 5.64 -1.26 1.61 1.01 -0.70 -4.53 116.67 116.41 1xv3 s ASP 43 Ca 0.00 -0.18 -0.07 0.00 0.71 0.00 0.00 52.55 53.01 1xv3 s ASP 43 Cb 0.00 -1.48 0.01 0.00 1.01 0.00 0.00 42.92 42.46 1xv3 s ASP 43 CO 0.00 -0.02 0.97 0.00 0.21 0.00 0.00 175.17 176.34 1xv3 n HIS 46 N -4.64 2.44 0.99 0.00 8.25 -1.26 -5.11 115.22 115.89 1xv3 n HIS 46 Ca -0.06 -2.58 0.12 0.00 -0.26 0.00 0.00 57.72 54.93 1xv3 n HIS 46 Cb 0.23 -1.29 0.10 0.00 1.12 0.00 0.00 29.99 30.15 1xv3 n HIS 46 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87