#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xv3 s SER 2 N 0.00 -1.03 0.38 0.26 0.15 -1.26 -5.15 113.70 107.06 1xv3 s SER 2 Ca 0.00 1.08 -0.25 0.00 0.70 0.00 0.00 55.95 57.48 1xv3 s SER 2 Cb 0.00 2.03 -0.09 0.00 -1.71 0.00 0.00 66.02 66.26 1xv3 s SER 2 CO 0.00 -0.25 1.11 -0.44 1.20 0.00 0.00 173.24 174.86 1xv3 s SER 3 N 2.82 6.73 -0.38 5.45 0.01 -1.26 -4.99 113.70 122.07 1xv3 s SER 3 Ca 0.08 2.20 -0.21 0.00 1.31 0.00 0.00 55.95 59.33 1xv3 s SER 3 Cb -0.14 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.50 1xv3 s SER 3 CO -0.19 -0.52 0.68 -0.83 0.41 0.00 0.00 173.24 172.78 1xv3 s GLY 4 N -1.29 1.71 -0.00 3.44 0.00 -1.26 -5.04 107.32 104.89 1xv3 s GLY 4 Ca 0.56 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 44.42 1xv3 s GLY 4 CO 0.34 1.57 -0.11 -2.52 0.00 0.00 0.00 173.10 172.38 1xv3 s TYR 5 N 2.85 0.96 -0.10 1.90 1.13 -1.26 -5.14 117.35 117.69 1xv3 s TYR 5 Ca 0.26 -0.20 -0.04 0.00 -1.41 0.00 0.00 57.07 55.68 1xv3 s TYR 5 Cb -0.14 -0.61 0.05 0.00 -1.10 0.00 0.00 41.96 40.16 1xv3 s TYR 5 CO 0.17 -0.01 0.20 0.99 -2.51 0.00 0.00 175.55 174.38 1xv3 s THR 6 N -0.32 -0.28 -0.21 -3.49 2.01 -1.26 -5.14 115.64 106.95 1xv3 s THR 6 Ca 0.03 0.30 -0.12 0.00 0.31 0.00 0.00 61.69 62.22 1xv3 s THR 6 Cb -0.04 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 72.07 1xv3 s THR 6 CO -0.00 0.13 0.21 -0.60 -0.69 0.00 0.00 174.62 173.66 1xv3 s ARG 7 N 2.18 4.15 0.59 4.92 3.52 -1.26 -5.08 118.95 127.97 1xv3 s ARG 7 Ca 0.01 -0.13 -0.15 0.00 -0.13 0.00 0.00 55.73 55.33 1xv3 s ARG 7 Cb -0.12 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 1xv3 s ARG 7 CO -0.07 0.14 1.04 -1.25 -0.81 0.00 0.00 175.30 174.35 1xv3 s PRO 8 N 0.82 3.41 -1.53 5.12 0.04 -1.26 -4.93 135.00 136.67 1xv3 s PRO 8 Ca 0.11 1.07 -0.09 0.00 0.04 0.00 0.00 61.00 62.13 1xv3 s PRO 8 Cb -0.13 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1xv3 s PRO 8 CO 0.03 -0.72 2.75 -0.11 0.04 0.00 0.00 177.00 178.99 1xv3 n LEU 9 N -2.16 8.43 -3.64 -3.56 7.94 -1.26 -4.77 117.00 117.97 1xv3 n LEU 9 Ca 0.08 -4.50 -0.04 0.00 -1.11 0.00 0.00 56.01 50.44 1xv3 n LEU 9 Cb 0.53 -1.51 -0.07 0.00 0.53 0.00 0.00 43.42 42.90 1xv3 n LEU 9 CO 0.49 2.00 0.82 -0.13 -1.11 0.00 0.00 177.39 179.46 1xv3 s ARG 10 N 1.34 0.33 -0.42 1.96 1.81 -1.26 -5.12 118.95 117.59 1xv3 s ARG 10 Ca 0.64 0.47 0.02 0.00 -1.72 0.00 0.00 55.73 55.14 1xv3 s ARG 10 Cb 0.18 0.12 0.14 0.00 -0.45 0.00 0.00 34.95 34.94 1xv3 s ARG 10 CO -0.07 -0.05 0.25 0.15 -0.68 0.00 0.00 175.30 174.90 1xv3 s LYS 11 N 0.70 1.08 0.00 3.54 1.02 -1.26 -5.12 119.74 119.70 1xv3 s LYS 11 Ca -0.02 -1.87 0.00 0.00 0.02 0.00 0.00 55.97 54.10 1xv3 s LYS 11 Cb -0.04 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 1xv3 s LYS 11 CO -0.11 -1.20 0.00 -0.35 -0.92 0.00 0.00 175.35 172.76 1xv3 n PRO 12 N 3.56 0.49 -0.03 -1.68 -0.04 -1.26 -5.09 135.00 130.95 1xv3 n PRO 12 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1xv3 n PRO 12 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 1xv3 n PRO 12 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xv3 n SER 13 N -1.30 0.00 -4.67 3.54 2.88 -1.26 -4.95 113.62 107.85 1xv3 n SER 13 Ca 0.00 -0.07 -0.47 0.00 -1.33 0.00 0.00 58.87 56.99 1xv3 n SER 13 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1xv3 n SER 13 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1xv3 n ARG 14 N -0.07 2.17 -1.32 -1.46 0.63 -1.26 -4.95 116.66 110.39 1xv3 n ARG 14 Ca 0.00 0.79 -0.30 0.00 -0.92 0.00 0.00 57.85 57.42 1xv3 n ARG 14 Cb 0.00 -2.60 0.12 0.00 0.45 0.00 0.00 32.46 30.43 1xv3 n ARG 14 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1xv3 s PRO 15 N 2.61 1.64 0.83 -0.14 0.04 -1.26 -5.04 135.00 133.68 1xv3 s PRO 15 Ca 0.86 0.80 -0.12 0.00 0.04 0.00 0.00 61.00 62.59 1xv3 s PRO 15 Cb -0.68 -1.85 0.09 0.00 0.04 0.00 0.00 34.50 32.09 1xv3 s PRO 15 CO 0.45 -1.97 1.11 0.42 0.04 0.00 0.00 177.00 177.05 1xv3 s ILE 16 N -3.00 2.73 0.70 0.56 1.01 -1.26 -4.99 121.20 116.95 1xv3 s ILE 16 Ca 0.62 0.24 -0.16 0.00 0.00 0.00 0.00 60.65 61.35 1xv3 s ILE 16 Cb -0.17 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.30 1xv3 s ILE 16 CO 0.56 -0.31 1.02 0.49 0.00 0.00 0.00 174.94 176.70 1xv3 n PHE 17 N -3.51 0.87 -1.10 3.97 3.72 -1.26 -4.97 117.46 115.18 1xv3 n PHE 17 Ca 0.07 0.40 -0.29 0.00 -0.05 0.00 0.00 57.45 57.59 1xv3 n PHE 17 Cb 0.57 -2.11 0.19 0.00 -0.94 0.00 0.00 39.48 37.19 1xv3 n PHE 17 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1xv3 s ILE 18 N -1.75 2.05 0.12 4.37 -4.36 -1.26 -5.04 121.20 115.34 1xv3 s ILE 18 Ca 0.75 0.02 0.02 0.00 -0.26 0.00 0.00 60.65 61.18 1xv3 s ILE 18 Cb -0.35 -2.46 -0.04 0.00 1.25 0.00 0.00 42.46 40.86 1xv3 s ILE 18 CO 0.49 -0.02 0.22 0.00 0.24 0.00 0.00 174.94 175.86 1xv3 s ARG 19 N -4.91 3.29 1.19 0.37 3.03 -1.26 -5.11 118.95 115.55 1xv3 s ARG 19 Ca 0.66 -0.62 -0.19 0.00 2.03 0.00 0.00 55.73 57.61 1xv3 s ARG 19 Cb -0.19 -2.90 0.28 0.00 -1.03 0.00 0.00 34.95 31.10 1xv3 s ARG 19 CO 0.58 0.54 1.11 -1.25 -1.13 0.00 0.00 175.30 175.15 1xv3 s PRO 20 N -2.96 -1.12 0.63 3.89 0.04 -1.26 -5.05 135.00 129.16 1xv3 s PRO 20 Ca 0.33 -0.04 -0.05 0.00 0.04 0.00 0.00 61.00 61.28 1xv3 s PRO 20 Cb -0.11 -1.61 0.03 0.00 0.04 0.00 0.00 34.50 32.85 1xv3 s PRO 20 CO 0.27 -3.65 0.93 0.42 0.04 0.00 0.00 177.00 175.01 1xv3 s ILE 21 N -3.01 2.94 0.00 0.56 -1.09 -1.26 -4.49 121.20 114.85 1xv3 s ILE 21 Ca 0.71 -0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.92 1xv3 s ILE 21 Cb -0.10 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 1xv3 s ILE 21 CO 0.56 -0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 1xv3 n GLY 22 N -2.69 2.66 0.20 6.18 0.00 -1.26 -4.73 105.19 105.55 1xv3 n GLY 22 Ca 0.06 -0.66 0.05 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.87 0.79 -3.19 0.00 2.03 -1.26 -4.05 116.55 107.00 1xv3 n ASP 24 Ca -0.01 -2.03 -0.20 0.00 0.52 0.00 0.00 54.79 53.07 1xv3 n ASP 24 Cb 0.41 -0.16 -0.05 0.00 -0.72 0.00 0.00 41.12 40.61 1xv3 n ASP 24 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1xv3 n VAL 25 N -0.13 -0.33 -0.01 5.18 0.31 -0.91 -4.95 118.33 117.48 1xv3 n VAL 25 Ca 0.04 -4.38 0.24 0.00 -0.01 0.00 0.00 64.34 60.22 1xv3 n VAL 25 Cb 0.15 -0.92 0.68 0.00 -0.91 0.00 0.00 33.84 32.84 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 -4.60 3.13 0.00 0.00 2.02 -1.26 -4.40 117.35 112.24 1xv3 s TYR 27 Ca -0.04 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 1xv3 s TYR 27 Cb 0.16 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.60 1xv3 s TYR 27 CO 0.55 -0.09 0.00 0.41 -1.57 0.00 0.00 175.55 174.85 1xv3 n GLY 28 N 4.08 1.20 3.89 0.71 0.00 -1.26 -5.09 105.19 108.71 1xv3 n GLY 28 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.60 3.97 0.62 -0.61 -4.36 -1.25 -5.04 121.20 112.92 1xv3 s ILE 29 Ca 0.00 0.52 -0.15 0.00 -0.26 0.00 0.00 60.65 60.76 1xv3 s ILE 29 Cb 0.00 -3.62 -0.02 0.00 1.25 0.00 0.00 42.46 40.07 1xv3 s ILE 29 CO 0.00 -0.78 1.07 -2.16 0.24 0.00 0.00 174.94 173.31 1xv3 s PRO 30 N -5.22 3.17 0.24 0.37 0.04 -1.26 -4.83 135.00 127.51 1xv3 s PRO 30 Ca 0.56 1.22 -0.05 0.00 0.04 0.00 0.00 61.00 62.77 1xv3 s PRO 30 Cb -0.11 -2.01 0.35 0.00 0.04 0.00 0.00 34.50 32.77 1xv3 s PRO 30 CO 0.51 -0.93 1.85 1.03 0.04 0.00 0.00 177.00 179.50 1xv3 h SER 31 N 0.24 0.84 -0.37 6.66 0.87 -1.98 0.20 113.55 120.00 1xv3 h SER 31 Ca -0.47 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.10 1xv3 h SER 31 Cb 1.22 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 1xv3 h SER 31 CO 0.57 0.53 0.18 -1.28 -0.53 0.00 0.00 176.83 176.30 1xv3 h SER 32 N 0.97 0.48 -0.57 6.23 0.87 -2.00 0.49 113.55 120.02 1xv3 h SER 32 Ca 0.38 -0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.73 1xv3 h SER 32 Cb 0.19 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1xv3 h SER 32 CO -0.18 0.46 -0.02 0.74 -0.53 0.00 0.00 176.83 177.31 1xv3 h THR 33 N 0.46 1.27 -0.81 2.23 2.02 -1.83 -2.39 112.91 113.86 1xv3 h THR 33 Ca 0.13 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 1xv3 h THR 33 Cb 0.11 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1xv3 h THR 33 CO -0.02 0.41 0.45 0.00 0.37 0.00 0.00 175.52 176.74 1xv3 h ALA 34 N 0.96 1.03 -0.59 6.16 0.00 -0.64 0.04 119.26 126.23 1xv3 h ALA 34 Ca 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1xv3 h ALA 34 Cb 0.57 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1xv3 h ALA 34 CO 0.03 0.53 0.25 0.00 0.00 0.00 0.00 179.25 180.06 1xv3 h ARG 35 N 1.12 0.87 -0.55 0.00 2.47 -0.67 -2.00 114.38 115.61 1xv3 h ARG 35 Ca 0.29 -0.15 -0.09 0.00 -1.26 0.00 0.00 59.98 58.76 1xv3 h ARG 35 Cb 0.02 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.17 1xv3 h ARG 35 CO -0.05 0.73 -0.02 1.25 0.56 0.00 0.00 179.97 182.44 1xv3 h LEU 36 N 0.81 0.95 -1.79 3.04 6.46 -1.02 -0.21 115.31 123.54 1xv3 h LEU 36 Ca 0.20 -0.27 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 1xv3 h LEU 36 Cb 0.18 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 39.85 1xv3 h LEU 36 CO -0.02 1.02 -0.13 0.00 -0.62 0.00 0.00 178.44 178.69 1xv3 h PHE 39 N 0.07 0.75 0.00 0.00 3.57 -0.70 -2.66 116.94 117.97 1xv3 h PHE 39 Ca -0.30 -0.25 -0.10 0.00 3.53 0.00 0.00 57.97 60.84 1xv3 h PHE 39 Cb 2.04 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 40.62 1xv3 h PHE 39 CO 0.07 0.99 -1.27 0.54 -2.23 0.00 0.00 178.31 176.41 1xv3 n ARG 40 N -3.98 0.53 0.10 1.11 5.12 0.20 -4.70 116.66 115.05 1xv3 n ARG 40 Ca -0.03 0.27 -0.20 0.00 -1.93 0.00 0.00 57.85 55.97 1xv3 n ARG 40 Cb 0.59 -1.49 -0.15 0.00 -1.16 0.00 0.00 32.46 30.25 1xv3 n ARG 40 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1xv3 h TYR 41 N -1.00 0.66 0.00 -1.55 -1.99 -1.52 -3.48 116.97 108.08 1xv3 h TYR 41 Ca -0.16 -0.48 0.00 0.00 2.00 0.00 0.00 58.73 60.09 1xv3 h TYR 41 Cb 1.08 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.78 1xv3 h TYR 41 CO -0.32 1.44 0.00 0.41 -0.00 0.00 0.00 178.16 179.69 1xv3 n GLY 42 N 1.66 1.02 3.85 3.88 0.00 0.14 -4.96 105.19 110.78 1xv3 n GLY 42 Ca -0.15 0.00 -0.22 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 5.68 -1.25 1.61 1.01 -0.70 -4.52 116.67 116.50 1xv3 s ASP 43 Ca 0.00 -0.18 -0.08 0.00 0.71 0.00 0.00 52.55 53.00 1xv3 s ASP 43 Cb 0.00 -1.50 0.01 0.00 1.01 0.00 0.00 42.92 42.44 1xv3 s ASP 43 CO 0.00 -0.04 1.09 0.00 0.21 0.00 0.00 175.17 176.44 1xv3 s HIS 46 N -2.24 3.52 0.00 0.00 3.76 -1.26 -5.11 115.29 113.95 1xv3 s HIS 46 Ca -0.15 -1.95 0.00 0.00 -0.15 0.00 0.00 55.06 52.81 1xv3 s HIS 46 Cb 0.02 -4.17 0.00 0.00 1.11 0.00 0.00 32.58 29.54 1xv3 s HIS 46 CO 0.23 -1.31 0.39 -0.11 -0.85 0.00 0.00 174.74 173.09