#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lwv n ARG 4 N 0.00 0.44 -2.45 -1.08 1.74 -1.26 -4.98 116.66 109.07 3lwv n ARG 4 Ca 0.00 -0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.56 3lwv n ARG 4 Cb 0.00 -1.27 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 3lwv n ARG 4 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3lwv s ILE 5 N -2.78 4.19 0.25 0.55 1.01 -1.26 -4.59 121.20 118.56 3lwv s ILE 5 Ca -0.04 1.55 0.08 0.00 0.00 0.00 0.00 60.65 62.24 3lwv s ILE 5 Cb 0.07 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 3lwv s ILE 5 CO 0.48 0.06 -0.13 -0.13 0.00 0.00 0.00 174.94 175.22 3lwv s ARG 6 N 1.65 1.48 -0.03 2.79 0.52 0.27 -0.95 118.95 124.67 3lwv s ARG 6 Ca 0.57 -1.70 -0.01 0.00 -0.52 0.00 0.00 55.73 54.07 3lwv s ARG 6 Cb -0.27 -1.27 0.03 0.00 0.52 0.00 0.00 34.95 33.97 3lwv s ARG 6 CO 0.26 0.16 0.06 0.21 0.02 0.00 0.00 175.30 176.01 3lwv s LYS 7 N -3.64 -0.02 0.01 3.54 2.20 0.91 -1.04 119.74 121.69 3lwv s LYS 7 Ca 0.26 0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 55.85 3lwv s LYS 7 Cb 0.00 -0.28 -0.08 0.00 -1.51 0.00 0.00 37.83 35.95 3lwv s LYS 7 CO 0.10 -0.20 1.93 0.00 -0.36 0.00 0.00 175.35 176.82 3lwv h PRO 9 N 10.62 0.28 0.18 0.00 0.13 -1.90 -1.18 132.00 140.13 3lwv h PRO 9 Ca -0.48 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 64.54 3lwv h PRO 9 Cb 1.23 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3lwv h PRO 9 CO 0.94 0.54 -0.09 -0.22 -0.23 0.00 0.00 178.00 178.94 3lwv h LYS 10 N 0.25 -0.24 0.00 0.86 1.63 -1.91 -3.39 116.57 113.77 3lwv h LYS 10 Ca 0.04 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3lwv h LYS 10 Cb 0.63 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 3lwv h LYS 10 CO 0.05 -0.16 -0.19 0.00 -3.45 0.00 0.00 179.45 175.69 3lwv n GLY 12 N 1.17 0.55 3.76 0.00 0.00 -0.45 -5.02 105.19 105.20 3lwv n GLY 12 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3lwv n GLY 12 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3lwv s ARG 13 N -0.26 4.39 -0.10 1.61 6.06 -1.25 -4.73 118.95 124.66 3lwv s ARG 13 Ca 0.00 2.13 -0.12 0.00 -2.50 0.00 0.00 55.73 55.24 3lwv s ARG 13 Cb 0.00 -3.13 -0.05 0.00 0.06 0.00 0.00 34.95 31.84 3lwv s ARG 13 CO 0.00 -0.19 0.27 0.71 -2.50 0.00 0.00 175.30 173.59 3lwv s TYR 14 N -0.62 3.58 0.23 5.12 1.51 -1.26 -0.66 117.35 125.26 3lwv s TYR 14 Ca 0.52 0.67 -0.21 0.00 -1.01 0.00 0.00 57.07 57.04 3lwv s TYR 14 Cb -0.38 -2.19 0.04 0.00 -0.11 0.00 0.00 41.96 39.32 3lwv s TYR 14 CO 0.46 0.52 0.65 -0.08 -1.11 0.00 0.00 175.55 175.98 3lwv s THR 15 N -0.45 0.00 -0.96 -0.71 -1.32 -0.21 -5.00 115.64 106.99 3lwv s THR 15 Ca 0.18 -0.69 0.21 0.00 -1.21 0.00 0.00 61.69 60.18 3lwv s THR 15 Cb -0.14 -1.65 -0.23 0.00 -1.51 0.00 0.00 72.50 68.97 3lwv s THR 15 CO 0.06 -0.01 0.87 0.18 -2.21 0.00 0.00 174.62 173.51 3lwv n LEU 16 N -0.42 0.96 -4.90 9.08 4.77 -1.26 -0.56 117.00 124.67 3lwv n LEU 16 Ca -0.09 -0.49 -0.28 0.00 -0.03 0.00 0.00 56.01 55.12 3lwv n LEU 16 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 3lwv n LEU 16 CO 0.15 0.24 0.50 -0.54 -1.33 0.00 0.00 177.39 176.40 3lwv s LYS 17 N -2.97 3.47 0.00 3.23 1.02 -1.26 -4.87 119.74 118.36 3lwv s LYS 17 Ca 0.08 0.26 0.26 0.00 0.02 0.00 0.00 55.97 56.58 3lwv s LYS 17 Cb 0.16 -2.32 0.64 0.00 -0.52 0.00 0.00 37.83 35.78 3lwv s LYS 17 CO 0.85 -0.32 1.49 0.39 -0.92 0.00 0.00 175.35 176.84 3lwv n GLU 18 N -2.37 0.48 -5.16 1.68 1.02 -1.26 -4.64 120.64 110.37 3lwv n GLU 18 Ca 0.02 -0.28 -0.32 0.00 -0.02 0.00 0.00 57.16 56.56 3lwv n GLU 18 Cb 0.55 -1.49 -0.16 0.00 -0.02 0.00 0.00 31.44 30.32 3lwv n GLU 18 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3lwv s VAL 19 N -2.72 2.25 -0.13 2.62 -7.23 -1.26 -1.13 120.40 112.80 3lwv s VAL 19 Ca 0.18 -0.98 -0.38 0.00 -1.81 0.00 0.00 61.98 59.00 3lwv s VAL 19 Cb 0.18 -1.85 -0.16 0.00 0.56 0.00 0.00 36.38 35.12 3lwv s VAL 19 CO 0.60 0.56 1.62 0.00 -0.31 0.00 0.00 175.10 177.58 3lwv h PRO 21 N 6.50 0.00 0.00 0.00 0.11 -1.94 -1.41 132.00 135.26 3lwv h PRO 21 Ca -0.47 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 3lwv h PRO 21 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 3lwv h PRO 21 CO 0.90 0.00 -0.68 0.28 -0.21 0.00 0.00 178.00 178.29 3lwv h VAL 22 N 0.00 0.40 0.00 3.15 2.07 -1.98 -3.43 116.25 116.46 3lwv h VAL 22 Ca 0.00 -1.46 -0.08 0.00 0.82 0.00 0.00 66.70 65.98 3lwv h VAL 22 Cb 0.62 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3lwv h VAL 22 CO 0.00 0.14 -2.02 0.00 0.02 0.00 0.00 177.57 175.70 3lwv n GLY 24 N 1.45 2.13 3.70 0.00 0.00 -0.53 -4.98 105.19 106.95 3lwv n GLY 24 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3lwv n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lwv s GLU 25 N -0.47 1.48 0.25 1.61 0.41 -1.26 -4.32 118.70 116.40 3lwv s GLU 25 Ca 0.00 1.60 -0.30 0.00 -0.41 0.00 0.00 54.97 55.86 3lwv s GLU 25 Cb 0.00 -1.77 -0.09 0.00 -1.78 0.00 0.00 34.13 30.48 3lwv s GLU 25 CO 0.00 -2.30 1.22 0.15 -0.49 0.00 0.00 175.26 173.84 3lwv s LYS 26 N -4.42 4.48 0.25 1.61 -0.14 -1.26 0.61 119.74 120.85 3lwv s LYS 26 Ca 0.69 1.99 -0.02 0.00 -1.36 0.00 0.00 55.97 57.27 3lwv s LYS 26 Cb -0.25 -3.17 -0.04 0.00 -1.68 0.00 0.00 37.83 32.69 3lwv s LYS 26 CO 0.54 -0.06 0.46 0.95 -0.76 0.00 0.00 175.35 176.47 3lwv s THR 27 N -0.63 5.14 0.14 2.17 -4.23 -0.29 -4.45 115.64 113.49 3lwv s THR 27 Ca 0.50 -0.25 0.11 0.00 -1.18 0.00 0.00 61.69 60.87 3lwv s THR 27 Cb -0.35 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 69.70 3lwv s THR 27 CO 0.43 -0.26 -0.25 -0.54 -0.54 0.00 0.00 174.62 173.45 3lwv s LYS 28 N -3.51 1.40 0.11 3.99 1.02 -0.97 -4.90 119.74 116.88 3lwv s LYS 28 Ca 0.40 -1.38 -0.36 0.00 0.02 0.00 0.00 55.97 54.66 3lwv s LYS 28 Cb -0.11 -1.83 -0.16 0.00 -0.52 0.00 0.00 37.83 35.22 3lwv s LYS 28 CO 0.30 0.42 1.39 0.28 -0.92 0.00 0.00 175.35 176.83 3lwv n VAL 29 N 0.75 0.03 0.04 3.17 0.31 -1.26 -0.07 118.33 121.30 3lwv n VAL 29 Ca -0.17 -0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.11 3lwv n VAL 29 Cb 0.54 -1.00 0.17 0.00 -0.91 0.00 0.00 33.84 32.64 3lwv n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3lwv h ALA 30 N 4.86 1.00 -2.19 3.52 0.00 -1.33 -3.45 119.26 121.67 3lwv h ALA 30 Ca -0.47 -0.41 -0.46 0.00 0.00 0.00 0.00 54.91 53.58 3lwv h ALA 30 Cb 1.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3lwv h ALA 30 CO 0.80 0.61 0.36 -1.01 0.00 0.00 0.00 179.25 180.01 3lwv s HIS 31 N -4.26 3.16 0.61 0.00 3.76 -1.26 -5.02 115.29 112.28 3lwv s HIS 31 Ca -0.06 1.59 -0.12 0.00 -0.15 0.00 0.00 55.06 56.32 3lwv s HIS 31 Cb 0.13 -2.95 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 3lwv s HIS 31 CO 0.80 -0.48 1.03 -2.14 -0.85 0.00 0.00 174.74 173.10 3lwv s PRO 32 N -3.26 3.58 0.66 8.40 0.02 -1.26 -5.04 135.00 138.10 3lwv s PRO 32 Ca 0.64 0.81 -0.16 0.00 0.02 0.00 0.00 61.00 62.31 3lwv s PRO 32 Cb -0.13 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.32 3lwv s PRO 32 CO 0.17 -0.58 1.16 -2.14 -0.33 0.00 0.00 177.00 175.28 3lwv s PRO 33 N -4.99 2.68 0.50 5.54 0.02 -1.26 -4.98 135.00 132.51 3lwv s PRO 33 Ca 0.56 1.60 -0.21 0.00 0.02 0.00 0.00 61.00 62.96 3lwv s PRO 33 Cb -0.11 -1.92 -0.07 0.00 0.02 0.00 0.00 34.50 32.43 3lwv s PRO 33 CO 0.51 -1.38 1.15 1.03 -0.33 0.00 0.00 177.00 177.98 3lwv s ARG 34 N -3.83 3.54 0.05 5.54 0.52 -1.26 -5.03 118.95 118.49 3lwv s ARG 34 Ca 0.71 1.71 0.08 0.00 -0.52 0.00 0.00 55.73 57.71 3lwv s ARG 34 Cb -0.25 -2.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.98 3lwv s ARG 34 CO 0.40 -0.72 -0.22 0.12 0.02 0.00 0.00 175.30 174.90 3lwv s PHE 35 N -1.65 2.46 -0.08 -0.53 5.36 -1.26 -5.13 117.98 117.14 3lwv s PHE 35 Ca 0.68 -0.32 0.03 0.00 -0.96 0.00 0.00 56.93 56.36 3lwv s PHE 35 Cb -0.27 -1.42 -0.02 0.00 -0.34 0.00 0.00 43.02 40.98 3lwv s PHE 35 CO 0.31 0.22 -0.17 -1.12 -1.46 0.00 0.00 175.22 173.00 3lwv s SER 36 N -1.43 3.73 0.37 6.13 0.01 -1.26 -5.01 113.70 116.24 3lwv s SER 36 Ca 0.14 -0.34 0.12 0.00 1.31 0.00 0.00 55.95 57.17 3lwv s SER 36 Cb -0.10 -1.15 0.91 0.00 0.21 0.00 0.00 66.02 65.89 3lwv s SER 36 CO 0.04 0.24 1.85 -0.65 0.41 0.00 0.00 173.24 175.13 3lwv h PRO 37 N 6.09 0.57 -0.04 12.44 0.11 -2.07 -0.93 132.00 148.18 3lwv h PRO 37 Ca -0.34 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.61 3lwv h PRO 37 Cb 1.18 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3lwv h PRO 37 CO 0.51 0.38 -0.59 0.93 -0.21 0.00 0.00 178.00 179.02 3lwv h GLU 38 N 0.59 0.12 -6.66 1.05 3.07 -2.06 -3.48 114.58 107.21 3lwv h GLU 38 Ca 0.48 -0.08 -0.51 0.00 -0.50 0.00 0.00 59.36 58.75 3lwv h GLU 38 Cb 0.94 0.01 0.02 0.00 -0.84 0.00 0.00 28.75 28.87 3lwv h GLU 38 CO -0.22 0.67 -0.97 -3.47 -1.40 0.00 0.00 179.01 173.61 3lwv n ASP 39 N -3.86 -4.74 -0.31 1.42 2.03 -0.36 -4.81 116.55 105.92 3lwv n ASP 39 Ca -0.02 -1.12 0.20 0.00 0.52 0.00 0.00 54.79 54.37 3lwv n ASP 39 Cb 0.60 -2.25 0.47 0.00 -0.72 0.00 0.00 41.12 39.21 3lwv n ASP 39 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3lwv h PRO 40 N -1.87 0.47 -0.15 -0.67 0.11 -1.93 -2.61 132.00 125.35 3lwv h PRO 40 Ca -0.66 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.42 3lwv h PRO 40 Cb 1.38 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3lwv h PRO 40 CO 0.47 0.31 0.00 0.66 -0.21 0.00 0.00 178.00 179.23 3lwv n TYR 41 N -4.63 0.34 -0.25 0.65 0.53 -1.26 -4.68 117.16 107.85 3lwv n TYR 41 Ca 0.23 -0.71 0.04 0.00 -1.02 0.00 0.00 57.90 56.44 3lwv n TYR 41 Cb 0.77 -0.13 0.14 0.00 -1.03 0.00 0.00 39.34 39.09 3lwv n TYR 41 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 3lwv h GLY 42 N 0.92 0.78 -0.19 2.72 0.00 -1.82 0.86 103.07 106.33 3lwv h GLY 42 Ca 0.00 0.13 0.23 0.00 0.00 0.00 0.00 47.33 47.69 3lwv h GLY 42 CO 0.05 -0.28 0.48 -2.09 0.00 0.00 0.00 176.54 174.70 3lwv h GLU 43 N 0.08 0.45 0.08 4.80 4.81 -1.83 0.45 114.58 123.42 3lwv h GLU 43 Ca 0.40 -0.03 -0.31 0.00 -0.13 0.00 0.00 59.36 59.28 3lwv h GLU 43 Cb 0.68 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3lwv h GLU 43 CO -0.67 0.30 -1.70 1.88 -0.73 0.00 0.00 179.01 178.09 3lwv h TYR 44 N 0.47 0.30 -0.74 0.92 -1.99 -1.28 -2.70 116.97 111.95 3lwv h TYR 44 Ca 0.60 -0.22 -0.06 0.00 2.00 0.00 0.00 58.73 61.06 3lwv h TYR 44 Cb 1.15 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 39.84 3lwv h TYR 44 CO -0.08 1.36 0.24 -0.09 -0.00 0.00 0.00 178.16 179.59 3lwv h ARG 45 N 0.04 1.15 -0.62 4.88 2.43 -0.61 -2.05 114.38 119.59 3lwv h ARG 45 Ca -0.30 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 58.61 3lwv h ARG 45 Cb 2.01 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 31.37 3lwv h ARG 45 CO 0.11 0.97 0.31 0.00 -1.51 0.00 0.00 179.97 179.85 3lwv h ARG 46 N 1.10 0.90 -0.19 0.20 3.08 -0.99 -0.05 114.38 118.42 3lwv h ARG 46 Ca 0.24 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 60.21 3lwv h ARG 46 Cb 0.30 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 3lwv h ARG 46 CO -0.01 0.71 -0.11 -0.09 -1.07 0.00 0.00 179.97 179.41 3lwv h ARG 47 N 0.86 -0.09 -0.73 0.04 2.43 -1.12 0.15 114.38 115.92 3lwv h ARG 47 Ca 0.22 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.52 3lwv h ARG 47 Cb 0.11 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.59 3lwv h ARG 47 CO -0.03 -0.06 0.29 2.35 -1.51 0.00 0.00 179.97 181.01 3lwv h TRP 48 N -0.10 0.50 -0.08 2.20 7.01 -1.12 -3.09 115.95 121.28 3lwv h TRP 48 Ca 0.11 0.03 -0.19 0.00 2.11 0.00 0.00 58.89 60.95 3lwv h TRP 48 Cb 0.26 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.20 3lwv h TRP 48 CO -0.26 0.08 -0.75 -0.22 -2.79 0.00 0.00 178.44 174.50 3lwv h LYS 49 N 0.45 0.42 -0.48 2.65 3.64 0.61 -2.37 116.57 121.49 3lwv h LYS 49 Ca 0.39 -0.35 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3lwv h LYS 49 Cb 0.57 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 3lwv h LYS 49 CO -0.38 0.99 0.28 0.00 -2.27 0.00 0.00 179.45 178.08 3lwv h ARG 50 N 0.28 0.55 -0.08 1.90 3.08 -0.72 -1.32 114.38 118.09 3lwv h ARG 50 Ca -0.03 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 3lwv h ARG 50 Cb 1.33 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 3lwv h ARG 50 CO 0.13 0.37 -0.21 1.49 -1.07 0.00 0.00 179.97 180.67 3lwv h GLU 51 N 0.57 0.13 -0.18 0.04 4.81 -1.45 -2.14 114.58 116.36 3lwv h GLU 51 Ca 0.19 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.21 3lwv h GLU 51 Cb 0.02 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3lwv h GLU 51 CO -0.09 0.35 -0.62 0.28 -0.73 0.00 0.00 179.01 178.20 3lwv h VAL 52 N 0.12 1.31 -0.47 0.32 2.07 -0.89 -3.22 116.25 115.50 3lwv h VAL 52 Ca 0.02 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.66 3lwv h VAL 52 Cb 0.45 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3lwv h VAL 52 CO 0.03 0.59 0.00 0.18 0.02 0.00 0.00 177.57 178.39 3lwv n LEU 53 N -3.94 4.16 -1.92 2.57 4.77 -0.55 -4.93 117.00 117.17 3lwv n LEU 53 Ca -0.04 -2.11 -0.14 0.00 -0.03 0.00 0.00 56.01 53.69 3lwv n LEU 53 Cb 0.65 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3lwv n LEU 53 CO 0.49 0.59 -0.15 0.61 -1.33 0.00 0.00 177.39 177.60 3lwv n GLY 54 N 0.72 0.40 0.00 -0.72 0.00 -0.87 -5.04 105.19 99.69 3lwv n GLY 54 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.29 3lwv n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71