#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lwp n ARG 4 N 0.00 0.88 -1.89 -1.08 1.74 -1.26 -4.95 116.66 110.09 3lwp n ARG 4 Ca 0.00 0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.71 3lwp n ARG 4 Cb 0.00 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 3lwp n ARG 4 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3lwp s ILE 5 N -2.44 2.96 0.38 0.55 1.01 -1.26 -4.64 121.20 117.76 3lwp s ILE 5 Ca -0.18 0.41 0.08 0.00 0.00 0.00 0.00 60.65 60.95 3lwp s ILE 5 Cb 0.06 -3.26 -0.07 0.00 0.01 0.00 0.00 42.46 39.20 3lwp s ILE 5 CO 0.63 -0.00 -0.02 -0.13 0.00 0.00 0.00 174.94 175.41 3lwp s ARG 6 N 2.71 1.88 -0.03 2.79 0.52 0.40 -1.42 118.95 125.79 3lwp s ARG 6 Ca 0.75 -2.03 -0.09 0.00 -0.52 0.00 0.00 55.73 53.84 3lwp s ARG 6 Cb -0.41 -1.60 0.01 0.00 0.52 0.00 0.00 34.95 33.48 3lwp s ARG 6 CO 0.33 0.01 0.21 -1.59 0.02 0.00 0.00 175.30 174.28 3lwp s LYS 7 N -3.69 0.47 0.23 3.54 -2.85 0.16 -1.88 119.74 115.72 3lwp s LYS 7 Ca 0.34 -0.14 -0.32 0.00 -1.00 0.00 0.00 55.97 54.85 3lwp s LYS 7 Cb 0.07 0.21 -0.12 0.00 -2.06 0.00 0.00 37.83 35.93 3lwp s LYS 7 CO 0.17 -0.11 1.69 0.00 0.10 0.00 0.00 175.35 177.20 3lwp h PRO 9 N 6.35 0.40 0.18 0.00 0.11 -1.92 -3.01 132.00 134.12 3lwp h PRO 9 Ca -0.44 -0.42 -0.01 0.00 0.11 0.00 0.00 66.00 65.25 3lwp h PRO 9 Cb 1.20 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3lwp h PRO 9 CO 0.92 1.08 -0.09 0.87 -0.21 0.00 0.00 178.00 180.57 3lwp h LYS 10 N 0.23 -0.24 0.00 1.05 6.56 -1.92 -3.39 116.57 118.86 3lwp h LYS 10 Ca -0.07 0.02 -0.12 0.00 -1.06 0.00 0.00 60.65 59.41 3lwp h LYS 10 Cb 1.53 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 33.23 3lwp h LYS 10 CO 0.16 -0.16 -0.59 0.00 -2.06 0.00 0.00 179.45 176.80 3lwp n GLY 12 N 1.12 0.62 3.69 0.00 0.00 -1.13 -5.02 105.19 104.46 3lwp n GLY 12 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 3lwp n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3lwp n ARG 13 N -1.95 2.29 -3.23 1.61 3.00 -1.26 -4.74 116.66 112.38 3lwp n ARG 13 Ca 0.00 0.82 -0.39 0.00 -0.00 0.00 0.00 57.85 58.28 3lwp n ARG 13 Cb 0.03 -2.57 -0.06 0.00 0.00 0.00 0.00 32.46 29.86 3lwp n ARG 13 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3lwp s TYR 14 N 0.50 3.77 0.18 -0.14 1.51 -1.26 -1.17 117.35 120.74 3lwp s TYR 14 Ca 0.73 1.27 -0.20 0.00 -1.01 0.00 0.00 57.07 57.85 3lwp s TYR 14 Cb -0.62 -2.56 0.05 0.00 -0.11 0.00 0.00 41.96 38.73 3lwp s TYR 14 CO 0.42 0.50 0.56 -0.08 -1.11 0.00 0.00 175.55 175.84 3lwp s THR 15 N -0.76 0.02 -0.28 -0.71 -1.32 -0.79 -5.00 115.64 106.80 3lwp s THR 15 Ca 0.30 -0.44 0.22 0.00 -1.21 0.00 0.00 61.69 60.56 3lwp s THR 15 Cb -0.19 -1.33 -0.17 0.00 -1.51 0.00 0.00 72.50 69.30 3lwp s THR 15 CO 0.19 -0.08 0.81 0.18 -2.21 0.00 0.00 174.62 173.51 3lwp n LEU 16 N -0.36 0.46 -4.75 9.08 4.77 -1.26 -0.46 117.00 124.49 3lwp n LEU 16 Ca -0.13 0.08 -0.30 0.00 -0.03 0.00 0.00 56.01 55.63 3lwp n LEU 16 Cb 0.63 -0.04 0.11 0.00 -2.33 0.00 0.00 43.42 41.79 3lwp n LEU 16 CO 0.15 -0.04 0.69 -0.54 -1.33 0.00 0.00 177.39 176.31 3lwp s LYS 17 N -3.37 1.80 0.14 3.23 1.02 -1.26 -4.87 119.74 116.43 3lwp s LYS 17 Ca -0.02 0.93 0.19 0.00 0.02 0.00 0.00 55.97 57.09 3lwp s LYS 17 Cb 0.13 -1.86 -0.06 0.00 -0.52 0.00 0.00 37.83 35.52 3lwp s LYS 17 CO 0.84 -1.90 0.97 0.93 -0.92 0.00 0.00 175.35 175.28 3lwp h GLU 18 N -1.30 0.00 -5.29 1.68 5.08 -1.95 -3.44 114.58 109.35 3lwp h GLU 18 Ca -0.47 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.23 3lwp h GLU 18 Cb 1.26 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.22 3lwp h GLU 18 CO 0.54 0.19 -0.80 0.14 -1.00 0.00 0.00 179.01 178.08 3lwp s VAL 19 N -3.10 2.72 0.18 3.13 -7.23 -1.26 -0.61 120.40 114.24 3lwp s VAL 19 Ca -0.01 -0.77 -0.33 0.00 -1.81 0.00 0.00 61.98 59.06 3lwp s VAL 19 Cb 0.09 -2.12 -0.15 0.00 0.56 0.00 0.00 36.38 34.75 3lwp s VAL 19 CO 0.79 0.53 1.20 0.00 -0.31 0.00 0.00 175.10 177.32 3lwp h PRO 21 N 3.50 0.00 0.04 0.00 0.11 -1.95 -1.46 132.00 132.24 3lwp h PRO 21 Ca -0.43 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 3lwp h PRO 21 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3lwp h PRO 21 CO 0.71 0.01 -0.02 0.28 -0.21 0.00 0.00 178.00 178.77 3lwp h VAL 22 N 0.00 0.44 0.00 3.15 2.07 -2.00 -3.43 116.25 116.48 3lwp h VAL 22 Ca -0.00 -1.26 -0.33 0.00 0.82 0.00 0.00 66.70 65.92 3lwp h VAL 22 Cb 1.02 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 3lwp h VAL 22 CO 0.00 0.14 -2.25 0.00 0.02 0.00 0.00 177.57 175.49 3lwp n GLY 24 N 2.04 0.81 3.77 0.00 0.00 -0.55 -4.98 105.19 106.28 3lwp n GLY 24 Ca -0.32 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 3lwp n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lwp s GLU 25 N -0.66 3.24 0.33 1.61 0.41 -1.26 -4.43 118.70 117.94 3lwp s GLU 25 Ca 0.00 1.62 -0.28 0.00 -0.41 0.00 0.00 54.97 55.90 3lwp s GLU 25 Cb 0.00 -1.99 -0.13 0.00 -1.78 0.00 0.00 34.13 30.24 3lwp s GLU 25 CO 0.00 -0.94 1.25 1.63 -0.49 0.00 0.00 175.26 176.71 3lwp n LYS 26 N -1.45 2.00 -2.99 1.61 4.76 -1.26 -0.55 118.16 120.28 3lwp n LYS 26 Ca 0.12 0.70 -0.18 0.00 -2.87 0.00 0.00 58.31 56.08 3lwp n LYS 26 Cb 0.51 -2.25 0.02 0.00 -1.84 0.00 0.00 35.03 31.47 3lwp n LYS 26 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3lwp s THR 27 N -1.07 2.88 0.07 -0.18 -4.23 0.22 -4.37 115.64 108.97 3lwp s THR 27 Ca 0.56 -0.98 0.04 0.00 -1.18 0.00 0.00 61.69 60.14 3lwp s THR 27 Cb -0.59 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.32 3lwp s THR 27 CO 0.62 0.00 -0.12 -0.54 -0.54 0.00 0.00 174.62 174.04 3lwp s LYS 28 N -4.42 0.77 -0.16 3.99 1.02 -0.24 -4.90 119.74 115.81 3lwp s LYS 28 Ca 0.56 -0.98 -0.37 0.00 0.02 0.00 0.00 55.97 55.20 3lwp s LYS 28 Cb -0.10 -0.64 -0.14 0.00 -0.52 0.00 0.00 37.83 36.44 3lwp s LYS 28 CO 0.34 0.13 1.80 0.28 -0.92 0.00 0.00 175.35 176.97 3lwp n VAL 29 N 1.10 0.42 -0.10 3.17 0.31 -1.26 0.37 118.33 122.34 3lwp n VAL 29 Ca -0.20 -0.08 0.09 0.00 -0.01 0.00 0.00 64.34 64.15 3lwp n VAL 29 Cb 0.55 -1.54 0.45 0.00 -0.91 0.00 0.00 33.84 32.39 3lwp n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3lwp h ALA 30 N 8.08 1.89 -2.36 3.52 0.00 -1.52 -3.45 119.26 125.42 3lwp h ALA 30 Ca -0.47 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 53.96 3lwp h ALA 30 Cb 1.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3lwp h ALA 30 CO 0.95 -0.01 0.35 -1.01 0.00 0.00 0.00 179.25 179.53 3lwp s HIS 31 N -5.48 3.59 0.45 0.00 3.76 -1.26 -5.02 115.29 111.33 3lwp s HIS 31 Ca -0.08 1.74 -0.23 0.00 -0.15 0.00 0.00 55.06 56.34 3lwp s HIS 31 Cb 0.19 -2.92 -0.08 0.00 1.11 0.00 0.00 32.58 30.89 3lwp s HIS 31 CO 0.75 0.10 1.12 -2.14 -0.85 0.00 0.00 174.74 173.72 3lwp s PRO 32 N -2.33 3.83 0.73 8.40 0.02 -1.26 -5.00 135.00 139.39 3lwp s PRO 32 Ca 0.53 1.66 -0.16 0.00 0.02 0.00 0.00 61.00 63.05 3lwp s PRO 32 Cb -0.17 -2.38 -0.04 0.00 0.02 0.00 0.00 34.50 31.93 3lwp s PRO 32 CO 0.21 -0.46 0.50 -2.30 -0.33 0.00 0.00 177.00 174.62 3lwp n PRO 33 N -0.49 0.26 -2.33 5.54 -0.02 -1.26 -4.93 135.00 131.78 3lwp n PRO 33 Ca 0.07 0.13 -0.40 0.00 -2.02 0.00 0.00 63.50 61.28 3lwp n PRO 33 Cb 0.49 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 3lwp n PRO 33 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3lwp s ARG 34 N -2.76 4.37 0.06 -0.52 0.52 -1.26 -5.04 118.95 114.32 3lwp s ARG 34 Ca 0.65 1.91 0.08 0.00 -0.52 0.00 0.00 55.73 57.85 3lwp s ARG 34 Cb -0.34 -2.98 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 3lwp s ARG 34 CO 0.59 -0.06 -0.22 0.12 0.02 0.00 0.00 175.30 175.74 3lwp s PHE 35 N -1.25 1.95 -0.01 -0.53 5.36 -1.26 -5.14 117.98 117.09 3lwp s PHE 35 Ca 0.50 -0.39 0.03 0.00 -0.96 0.00 0.00 56.93 56.11 3lwp s PHE 35 Cb -0.33 -1.14 -0.01 0.00 -0.34 0.00 0.00 43.02 41.20 3lwp s PHE 35 CO 0.43 0.14 -0.11 -1.54 -1.46 0.00 0.00 175.22 172.68 3lwp s SER 36 N -1.39 1.34 0.64 6.13 1.04 -1.26 -5.03 113.70 115.16 3lwp s SER 36 Ca 0.09 -0.21 0.34 0.00 0.48 0.00 0.00 55.95 56.65 3lwp s SER 36 Cb -0.09 -0.19 1.90 0.00 0.10 0.00 0.00 66.02 67.73 3lwp s SER 36 CO 0.03 0.13 2.13 -0.65 0.98 0.00 0.00 173.24 175.85 3lwp h PRO 37 N 5.97 0.00 -0.11 4.02 0.11 -2.07 0.90 132.00 140.82 3lwp h PRO 37 Ca -0.32 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.58 3lwp h PRO 37 Cb 1.17 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 3lwp h PRO 37 CO 0.49 0.00 -0.72 0.93 -0.21 0.00 0.00 178.00 178.49 3lwp h GLU 38 N 0.00 0.68 -6.39 1.05 3.07 -2.06 -3.48 114.58 107.44 3lwp h GLU 38 Ca 0.03 -0.59 -0.43 0.00 -0.50 0.00 0.00 59.36 57.88 3lwp h GLU 38 Cb 0.39 0.13 0.04 0.00 -0.84 0.00 0.00 28.75 28.47 3lwp h GLU 38 CO -0.00 1.20 -0.88 -3.47 -1.40 0.00 0.00 179.01 174.46 3lwp n ASP 39 N -4.03 -5.29 0.09 1.42 2.03 0.31 -4.85 116.55 106.22 3lwp n ASP 39 Ca -0.08 -0.95 0.03 0.00 0.52 0.00 0.00 54.79 54.31 3lwp n ASP 39 Cb 0.72 -2.85 0.43 0.00 -0.72 0.00 0.00 41.12 38.69 3lwp n ASP 39 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3lwp h PRO 40 N -1.36 0.33 -0.48 -0.67 0.11 -1.94 -2.65 132.00 125.35 3lwp h PRO 40 Ca -0.59 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.48 3lwp h PRO 40 Cb 1.34 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3lwp h PRO 40 CO 0.44 0.34 0.00 0.66 -0.21 0.00 0.00 178.00 179.22 3lwp n TYR 41 N -4.38 1.20 -0.27 0.65 0.53 -1.26 -4.63 117.16 108.99 3lwp n TYR 41 Ca 0.00 -0.67 0.09 0.00 -1.02 0.00 0.00 57.90 56.30 3lwp n TYR 41 Cb 0.17 -0.24 0.23 0.00 -1.03 0.00 0.00 39.34 38.47 3lwp n TYR 41 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 3lwp h GLY 42 N 3.07 1.21 0.73 2.72 0.00 -1.83 0.68 103.07 109.66 3lwp h GLY 42 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.33 3lwp h GLY 42 CO 0.21 -0.24 0.64 -2.09 0.00 0.00 0.00 176.54 175.06 3lwp h GLU 43 N 0.30 1.11 0.05 4.80 4.81 -1.83 -0.52 114.58 123.29 3lwp h GLU 43 Ca 0.48 -0.07 -0.27 0.00 -0.13 0.00 0.00 59.36 59.37 3lwp h GLU 43 Cb 0.86 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 3lwp h GLU 43 CO -0.54 0.74 -1.37 1.88 -0.73 0.00 0.00 179.01 178.99 3lwp h TYR 44 N 1.15 0.18 -0.61 0.92 -1.99 -1.41 -2.51 116.97 112.69 3lwp h TYR 44 Ca 0.43 -0.13 -0.04 0.00 2.00 0.00 0.00 58.73 60.99 3lwp h TYR 44 Cb 0.20 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 38.89 3lwp h TYR 44 CO -0.00 1.14 0.21 -0.09 -0.00 0.00 0.00 178.16 179.42 3lwp h ARG 45 N 0.03 0.92 -0.08 4.88 2.43 -0.51 -2.24 114.38 119.81 3lwp h ARG 45 Ca -0.16 -0.17 -0.17 0.00 -0.81 0.00 0.00 59.98 58.67 3lwp h ARG 45 Cb 1.92 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.32 3lwp h ARG 45 CO 0.13 0.78 -0.69 0.00 -1.51 0.00 0.00 179.97 178.68 3lwp h ARG 46 N 0.90 0.35 -0.71 0.20 3.08 -1.12 -0.50 114.38 116.57 3lwp h ARG 46 Ca 0.20 -0.27 0.04 0.00 0.07 0.00 0.00 59.98 60.02 3lwp h ARG 46 Cb 0.23 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 3lwp h ARG 46 CO -0.01 0.91 0.44 -0.09 -1.07 0.00 0.00 179.97 180.14 3lwp h ARG 47 N 0.24 0.81 -0.42 0.04 2.43 -1.20 -1.91 114.38 114.38 3lwp h ARG 47 Ca -0.02 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 3lwp h ARG 47 Cb 1.24 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3lwp h ARG 47 CO 0.11 0.54 -0.25 2.35 -1.51 0.00 0.00 179.97 181.21 3lwp h TRP 48 N 0.84 1.00 -0.01 2.20 7.01 -1.08 -3.23 115.95 122.68 3lwp h TRP 48 Ca 0.30 -0.25 -0.22 0.00 2.11 0.00 0.00 58.89 60.83 3lwp h TRP 48 Cb 0.07 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 26.90 3lwp h TRP 48 CO -0.05 1.02 -0.93 -0.22 -2.79 0.00 0.00 178.44 175.47 3lwp h LYS 49 N 0.75 0.43 -0.24 2.65 3.64 -0.89 -2.24 116.57 120.67 3lwp h LYS 49 Ca 0.09 -0.45 0.03 0.00 -1.27 0.00 0.00 60.65 59.05 3lwp h LYS 49 Cb 0.80 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 3lwp h LYS 49 CO 0.07 1.11 0.05 0.00 -2.27 0.00 0.00 179.45 178.40 3lwp h ARG 50 N 0.24 0.14 -0.41 1.90 3.08 -1.45 0.11 114.38 117.99 3lwp h ARG 50 Ca -0.08 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.02 3lwp h ARG 50 Cb 1.56 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.54 3lwp h ARG 50 CO 0.16 0.09 0.14 1.49 -1.07 0.00 0.00 179.97 180.78 3lwp h GLU 51 N 0.14 0.30 0.34 0.04 4.81 -1.53 1.27 114.58 119.94 3lwp h GLU 51 Ca 0.11 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3lwp h GLU 51 Cb 0.11 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3lwp h GLU 51 CO -0.14 0.20 -0.23 0.28 -0.73 0.00 0.00 179.01 178.38 3lwp h VAL 52 N 0.30 0.51 -0.40 0.32 2.07 -1.09 -3.19 116.25 114.78 3lwp h VAL 52 Ca 0.19 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.65 3lwp h VAL 52 Cb 0.18 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3lwp h VAL 52 CO -0.20 0.00 -0.01 -0.07 0.02 0.00 0.00 177.57 177.31 3lwp h LEU 53 N -0.56 0.69 0.00 2.57 3.38 -0.27 -3.48 115.31 117.64 3lwp h LEU 53 Ca -0.03 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3lwp h LEU 53 Cb 0.48 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3lwp h LEU 53 CO 0.01 0.84 0.00 0.61 0.09 0.00 0.00 178.44 179.99 3lwp n GLY 54 N -0.34 1.84 0.35 0.83 0.00 0.43 -5.08 105.19 103.22 3lwp n GLY 54 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.16 3lwp n GLY 54 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61