#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 3.80 -0.59 0.41 0.15 -1.26 -4.81 113.70 111.41 1xv3 s SER 2 Ca 0.00 -0.33 -0.10 0.00 0.70 0.00 0.00 55.95 56.21 1xv3 s SER 2 Cb 0.00 -1.24 0.01 0.00 -1.71 0.00 0.00 66.02 63.08 1xv3 s SER 2 CO 0.00 0.23 0.65 -0.24 1.20 0.00 0.00 173.24 175.08 1xv3 n SER 3 N 3.06 -7.43 -4.13 5.45 2.88 -1.26 -4.83 113.62 107.37 1xv3 n SER 3 Ca -0.18 0.11 -0.43 0.00 -1.33 0.00 0.00 58.87 57.05 1xv3 n SER 3 Cb 0.52 -4.73 0.00 0.00 -0.75 0.00 0.00 64.21 59.25 1xv3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xv3 n GLY 4 N -0.99 3.60 3.80 0.46 0.00 -1.26 -4.97 105.19 105.83 1xv3 n GLY 4 Ca 0.02 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 1xv3 n GLY 4 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xv3 s TYR 5 N 3.49 3.04 -0.93 1.61 2.02 -1.26 -4.98 117.35 120.34 1xv3 s TYR 5 Ca 0.50 1.59 -0.17 0.00 -0.37 0.00 0.00 57.07 58.61 1xv3 s TYR 5 Cb 0.09 -3.06 0.16 0.00 -0.40 0.00 0.00 41.96 38.75 1xv3 s TYR 5 CO -0.01 -0.78 1.05 -0.08 -1.57 0.00 0.00 175.55 174.17 1xv3 s THR 6 N -1.96 5.01 -0.26 -0.71 -1.32 -1.26 -4.95 115.64 110.20 1xv3 s THR 6 Ca 0.66 -1.93 -0.15 0.00 -1.21 0.00 0.00 61.69 59.06 1xv3 s THR 6 Cb -0.16 -4.70 0.08 0.00 -1.51 0.00 0.00 72.50 66.20 1xv3 s THR 6 CO 0.20 -1.38 0.63 -0.60 -2.21 0.00 0.00 174.62 171.26 1xv3 s ARG 7 N 1.85 0.65 0.16 7.08 6.06 -1.26 -5.14 118.95 128.34 1xv3 s ARG 7 Ca 0.29 1.13 -0.30 0.00 -2.50 0.00 0.00 55.73 54.35 1xv3 s ARG 7 Cb -0.06 0.11 -0.07 0.00 0.06 0.00 0.00 34.95 34.99 1xv3 s ARG 7 CO -0.09 -0.15 1.11 -1.25 -2.50 0.00 0.00 175.30 172.42 1xv3 s PRO 8 N 1.54 4.58 0.38 5.12 0.04 -1.26 -5.04 135.00 140.36 1xv3 s PRO 8 Ca -0.10 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 1xv3 s PRO 8 Cb -0.06 -3.29 -0.07 0.00 0.04 0.00 0.00 34.50 31.13 1xv3 s PRO 8 CO -0.18 0.04 0.75 -0.51 0.04 0.00 0.00 177.00 177.14 1xv3 s LEU 9 N -0.20 3.90 0.37 -3.56 1.43 -1.26 -5.02 118.68 114.34 1xv3 s LEU 9 Ca 0.50 1.14 -0.28 0.00 -1.03 0.00 0.00 54.13 54.46 1xv3 s LEU 9 Cb -0.29 -4.00 -0.11 0.00 0.03 0.00 0.00 46.19 41.82 1xv3 s LEU 9 CO 0.34 -0.34 1.47 -2.11 0.23 0.00 0.00 176.35 175.94 1xv3 n ARG 10 N -1.06 2.62 -3.43 1.70 1.85 -1.26 -3.46 116.66 113.62 1xv3 n ARG 10 Ca 0.02 0.92 -0.13 0.00 -1.00 0.00 0.00 57.85 57.66 1xv3 n ARG 10 Cb 0.54 -2.64 0.00 0.00 -1.05 0.00 0.00 32.46 29.31 1xv3 n ARG 10 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1xv3 n LYS 11 N 0.52 -1.42 0.00 2.89 4.81 -1.26 -4.99 118.16 118.71 1xv3 n LYS 11 Ca 0.02 1.09 0.00 0.00 -0.87 0.00 0.00 58.31 58.55 1xv3 n LYS 11 Cb 0.38 -4.10 0.00 0.00 0.02 0.00 0.00 35.03 31.34 1xv3 n LYS 11 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1xv3 n PRO 12 N -2.34 0.04 -2.80 1.64 -0.04 -1.23 -5.01 135.00 125.27 1xv3 n PRO 12 Ca -0.15 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.03 1xv3 n PRO 12 Cb 0.59 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.03 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 -2.56 4.74 -4.62 3.54 7.64 -1.26 -5.04 113.62 116.06 1xv3 n SER 13 Ca 0.00 -3.70 -0.41 0.00 1.01 0.00 0.00 58.87 55.77 1xv3 n SER 13 Cb 0.00 -0.57 -0.06 0.00 -1.01 0.00 0.00 64.21 62.56 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 -3.55 4.08 1.01 1.43 1.81 -1.26 -5.06 118.95 117.42 1xv3 s ARG 14 Ca 0.48 0.51 -0.15 0.00 -1.72 0.00 0.00 55.73 54.86 1xv3 s ARG 14 Cb 0.31 -3.66 0.20 0.00 -0.45 0.00 0.00 34.95 31.34 1xv3 s ARG 14 CO -0.16 -0.43 1.16 -1.25 -0.68 0.00 0.00 175.30 173.95 1xv3 s PRO 15 N 2.51 0.33 0.18 3.54 0.04 -1.26 -4.93 135.00 135.41 1xv3 s PRO 15 Ca 0.26 0.07 -0.33 0.00 0.04 0.00 0.00 61.00 61.04 1xv3 s PRO 15 Cb -0.15 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.47 1xv3 s PRO 15 CO 0.09 -2.70 1.26 0.44 0.04 0.00 0.00 177.00 176.13 1xv3 n ILE 16 N -4.07 0.77 -4.08 0.56 -5.35 -1.26 -4.97 119.36 100.96 1xv3 n ILE 16 Ca 0.10 -0.19 -0.14 0.00 -0.27 0.00 0.00 62.75 62.25 1xv3 n ILE 16 Cb 0.59 -1.04 -0.05 0.00 -1.74 0.00 0.00 39.64 37.41 1xv3 n ILE 16 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1xv3 s PHE 17 N -0.04 0.95 1.13 4.28 5.36 -1.26 -5.16 117.98 123.24 1xv3 s PHE 17 Ca 0.73 -1.21 -0.16 0.00 -0.96 0.00 0.00 56.93 55.33 1xv3 s PHE 17 Cb -0.80 -0.07 0.25 0.00 -0.34 0.00 0.00 43.02 42.06 1xv3 s PHE 17 CO 0.50 -1.08 1.09 0.96 -1.46 0.00 0.00 175.22 175.24 1xv3 s ILE 18 N -3.29 1.76 -0.26 3.12 -4.36 -1.26 -4.84 121.20 112.08 1xv3 s ILE 18 Ca 0.30 0.00 -0.35 0.00 -0.26 0.00 0.00 60.65 60.34 1xv3 s ILE 18 Cb 0.00 -2.46 -0.11 0.00 1.25 0.00 0.00 42.46 41.13 1xv3 s ILE 18 CO 0.18 0.00 2.05 -1.14 0.24 0.00 0.00 174.94 176.27 1xv3 n ARG 19 N -4.57 1.48 -1.40 0.37 0.63 -1.26 -4.94 116.66 106.97 1xv3 n ARG 19 Ca 0.09 0.47 -0.29 0.00 -0.92 0.00 0.00 57.85 57.21 1xv3 n ARG 19 Cb 0.58 -2.54 0.16 0.00 0.45 0.00 0.00 32.46 31.11 1xv3 n ARG 19 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1xv3 s PRO 20 N 5.29 0.62 0.74 -0.14 0.04 -1.26 -5.05 135.00 135.24 1xv3 s PRO 20 Ca 1.03 0.27 -0.11 0.00 0.04 0.00 0.00 61.00 62.23 1xv3 s PRO 20 Cb -0.79 -1.78 0.05 0.00 0.04 0.00 0.00 34.50 32.02 1xv3 s PRO 20 CO 0.51 -2.55 1.11 0.42 0.04 0.00 0.00 177.00 176.53 1xv3 s ILE 21 N -3.19 2.66 0.00 0.56 -1.09 -1.26 -4.38 121.20 114.49 1xv3 s ILE 21 Ca 0.66 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 1xv3 s ILE 21 Cb -0.15 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 1xv3 s ILE 21 CO 0.55 -0.24 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1xv3 n GLY 22 N -3.11 2.88 0.08 6.18 0.00 -1.26 -4.72 105.19 105.24 1xv3 n GLY 22 Ca 0.07 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.05 0.04 -3.16 0.00 8.00 -1.26 -4.23 116.55 113.89 1xv3 n ASP 24 Ca 0.06 -0.89 -0.22 0.00 0.71 0.00 0.00 54.79 54.45 1xv3 n ASP 24 Cb 0.39 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.39 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 -1.01 -0.69 0.06 2.53 0.31 -1.21 -4.96 118.33 113.35 1xv3 n VAL 25 Ca 0.22 -3.38 0.21 0.00 -0.01 0.00 0.00 64.34 61.38 1xv3 n VAL 25 Cb 0.13 -1.28 0.68 0.00 -0.91 0.00 0.00 33.84 32.46 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 -4.51 3.08 0.00 0.00 2.02 -1.26 -4.45 117.35 112.23 1xv3 s TYR 27 Ca -0.04 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1xv3 s TYR 27 Cb 0.14 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.64 1xv3 s TYR 27 CO 0.49 -0.12 0.00 0.41 -1.57 0.00 0.00 175.55 174.76 1xv3 n GLY 28 N 3.97 1.65 3.88 0.71 0.00 -1.26 -5.09 105.19 109.05 1xv3 n GLY 28 Ca -0.17 0.00 -0.30 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 -1.87 3.99 0.61 -0.61 -4.36 -1.25 -5.04 121.20 112.67 1xv3 s ILE 29 Ca 0.00 0.62 -0.15 0.00 -0.26 0.00 0.00 60.65 60.86 1xv3 s ILE 29 Cb 0.00 -3.63 -0.03 0.00 1.25 0.00 0.00 42.46 40.05 1xv3 s ILE 29 CO 0.00 -0.83 1.07 -2.16 0.24 0.00 0.00 174.94 173.25 1xv3 s PRO 30 N -5.27 3.20 0.26 0.37 0.04 -1.26 -4.82 135.00 127.53 1xv3 s PRO 30 Ca 0.57 1.21 -0.03 0.00 0.04 0.00 0.00 61.00 62.79 1xv3 s PRO 30 Cb -0.11 -2.02 0.37 0.00 0.04 0.00 0.00 34.50 32.79 1xv3 s PRO 30 CO 0.52 -0.90 1.89 1.03 0.04 0.00 0.00 177.00 179.58 1xv3 h SER 31 N 0.28 1.07 -0.26 6.66 0.87 -1.97 0.15 113.55 120.35 1xv3 h SER 31 Ca -0.47 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1xv3 h SER 31 Cb 1.22 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 1xv3 h SER 31 CO 0.57 0.71 0.17 -1.28 -0.53 0.00 0.00 176.83 176.46 1xv3 h SER 32 N 1.23 0.30 -0.49 6.23 0.87 -1.99 0.44 113.55 120.14 1xv3 h SER 32 Ca 0.42 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.84 1xv3 h SER 32 Cb 0.09 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1xv3 h SER 32 CO -0.15 0.22 -0.17 0.74 -0.53 0.00 0.00 176.83 176.94 1xv3 h THR 33 N 0.35 1.27 -0.67 2.23 2.02 -1.82 -2.41 112.91 113.88 1xv3 h THR 33 Ca 0.09 -1.33 -0.04 0.00 0.77 0.00 0.00 66.41 65.91 1xv3 h THR 33 Cb -0.03 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1xv3 h THR 33 CO -0.02 0.46 0.27 0.00 0.37 0.00 0.00 175.52 176.60 1xv3 h ALA 34 N 0.88 1.21 -0.48 6.16 0.00 -0.27 0.27 119.26 127.02 1xv3 h ALA 34 Ca 0.12 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1xv3 h ALA 34 Cb 0.74 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1xv3 h ALA 34 CO 0.06 0.58 0.08 -0.09 0.00 0.00 0.00 179.25 179.87 1xv3 h ARG 35 N 0.96 0.80 -0.52 0.00 2.43 0.09 -1.74 114.38 116.40 1xv3 h ARG 35 Ca 0.23 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 1xv3 h ARG 35 Cb 0.18 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1xv3 h ARG 35 CO -0.02 0.80 -0.12 1.25 -1.51 0.00 0.00 179.97 180.38 1xv3 h LEU 36 N 0.67 0.98 -1.67 3.80 6.46 -1.04 0.20 115.31 124.71 1xv3 h LEU 36 Ca 0.15 -0.32 -0.04 0.00 -0.12 0.00 0.00 57.88 57.55 1xv3 h LEU 36 Cb 0.39 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 1xv3 h LEU 36 CO 0.01 1.10 -0.19 0.00 -0.62 0.00 0.00 178.44 178.74 1xv3 h PHE 39 N 0.06 1.03 0.00 0.00 3.57 -0.37 -2.72 116.94 118.51 1xv3 h PHE 39 Ca -0.34 -0.39 -0.34 0.00 3.53 0.00 0.00 57.97 60.43 1xv3 h PHE 39 Cb 2.04 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 40.54 1xv3 h PHE 39 CO 0.06 1.20 -2.04 0.54 -2.23 0.00 0.00 178.31 175.85 1xv3 n ARG 40 N -3.98 0.57 0.10 1.11 5.12 0.33 -4.68 116.66 115.23 1xv3 n ARG 40 Ca -0.05 0.30 -0.21 0.00 -1.93 0.00 0.00 57.85 55.96 1xv3 n ARG 40 Cb 0.65 -1.52 -0.15 0.00 -1.16 0.00 0.00 32.46 30.29 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 0.70 0.00 -1.55 -1.99 -1.53 -3.48 116.97 108.12 1xv3 h TYR 41 Ca -0.51 -0.51 0.00 0.00 2.00 0.00 0.00 58.73 59.71 1xv3 h TYR 41 Cb 1.43 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 40.13 1xv3 h TYR 41 CO -0.14 1.52 0.00 0.41 -0.00 0.00 0.00 178.16 179.95 1xv3 n GLY 42 N 1.73 1.03 3.75 3.88 0.00 0.15 -4.96 105.19 110.77 1xv3 n GLY 42 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 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 5.08 -1.21 1.61 1.01 -0.46 -4.59 116.67 116.11 1xv3 s ASP 43 Ca 0.00 -0.45 -0.08 0.00 0.71 0.00 0.00 52.55 52.73 1xv3 s ASP 43 Cb 0.00 -1.11 0.01 0.00 1.01 0.00 0.00 42.92 42.82 1xv3 s ASP 43 CO 0.00 -0.07 1.02 0.00 0.21 0.00 0.00 175.17 176.33 1xv3 n HIS 46 N -4.11 2.67 1.97 0.00 8.25 -1.26 -5.11 115.22 117.62 1xv3 n HIS 46 Ca -0.06 -2.73 0.16 0.00 -0.26 0.00 0.00 57.72 54.83 1xv3 n HIS 46 Cb 0.21 -1.70 0.93 0.00 1.12 0.00 0.00 29.99 30.56 1xv3 n HIS 46 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87