#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lwo n ARG 4 N 0.00 2.17 -2.18 -1.08 1.74 -1.26 -4.98 116.66 111.07 3lwo n ARG 4 Ca 0.00 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.67 3lwo n ARG 4 Cb 0.00 -1.20 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 3lwo n ARG 4 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3lwo s ILE 5 N -2.19 3.42 0.20 0.55 1.01 -1.26 -4.67 121.20 118.26 3lwo s ILE 5 Ca -0.06 0.97 0.08 0.00 0.00 0.00 0.00 60.65 61.64 3lwo s ILE 5 Cb 0.03 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 3lwo s ILE 5 CO 0.30 0.05 -0.16 -0.13 0.00 0.00 0.00 174.94 174.99 3lwo s ARG 6 N 1.53 1.34 -0.01 2.79 0.52 0.26 -1.68 118.95 123.69 3lwo s ARG 6 Ca 0.65 -1.53 0.00 0.00 -0.52 0.00 0.00 55.73 54.33 3lwo s ARG 6 Cb -0.35 -1.26 0.01 0.00 0.52 0.00 0.00 34.95 33.87 3lwo s ARG 6 CO 0.29 0.23 -0.00 -1.59 0.02 0.00 0.00 175.30 174.25 3lwo s LYS 7 N -3.29 0.18 0.03 3.54 -2.85 0.34 -0.84 119.74 116.85 3lwo s LYS 7 Ca 0.20 0.02 -0.37 0.00 -1.00 0.00 0.00 55.97 54.83 3lwo s LYS 7 Cb -0.03 -0.29 -0.17 0.00 -2.06 0.00 0.00 37.83 35.28 3lwo s LYS 7 CO 0.08 -0.06 1.40 0.00 0.10 0.00 0.00 175.35 176.87 3lwo h PRO 9 N 4.93 0.00 0.00 0.00 0.11 -1.92 -1.87 132.00 133.25 3lwo h PRO 9 Ca -0.48 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 3lwo h PRO 9 Cb 1.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 3lwo h PRO 9 CO 0.80 0.00 -0.81 -0.22 -0.21 0.00 0.00 178.00 177.56 3lwo h LYS 10 N 0.00 0.00 0.00 1.05 1.63 -1.91 -3.42 116.57 113.92 3lwo h LYS 10 Ca 0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 3lwo h LYS 10 Cb 0.99 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.62 3lwo h LYS 10 CO 0.00 0.78 -1.34 0.00 -3.45 0.00 0.00 179.45 175.44 3lwo n GLY 12 N 1.24 0.65 3.72 0.00 0.00 -0.70 -5.01 105.19 105.09 3lwo n GLY 12 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3lwo n GLY 12 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3lwo s ARG 13 N -0.03 4.51 0.35 1.61 6.06 -1.26 -4.69 118.95 125.50 3lwo s ARG 13 Ca 0.00 1.66 -0.23 0.00 -2.50 0.00 0.00 55.73 54.66 3lwo s ARG 13 Cb 0.00 -3.36 -0.10 0.00 0.06 0.00 0.00 34.95 31.55 3lwo s ARG 13 CO 0.00 -0.12 0.91 0.71 -2.50 0.00 0.00 175.30 174.30 3lwo s TYR 14 N 0.73 3.54 -0.08 5.12 1.51 -1.26 -0.94 117.35 125.97 3lwo s TYR 14 Ca 0.55 1.64 -0.32 0.00 -1.01 0.00 0.00 57.07 57.93 3lwo s TYR 14 Cb -0.27 -2.84 0.12 0.00 -0.11 0.00 0.00 41.96 38.86 3lwo s TYR 14 CO 0.30 0.12 1.14 -0.08 -1.11 0.00 0.00 175.55 175.92 3lwo s THR 15 N -1.81 0.00 -1.11 -0.71 -1.32 -0.02 -4.98 115.64 105.69 3lwo s THR 15 Ca 0.53 -0.11 0.13 0.00 -1.21 0.00 0.00 61.69 61.03 3lwo s THR 15 Cb -0.15 -1.31 -0.02 0.00 -1.51 0.00 0.00 72.50 69.51 3lwo s THR 15 CO 0.20 0.00 0.71 0.18 -2.21 0.00 0.00 174.62 173.50 3lwo n LEU 16 N -0.24 1.31 -4.92 9.08 4.77 -1.26 -0.57 117.00 125.16 3lwo n LEU 16 Ca -0.04 -0.73 -0.28 0.00 -0.03 0.00 0.00 56.01 54.93 3lwo n LEU 16 Cb 0.60 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.78 3lwo n LEU 16 CO 0.10 0.26 0.73 -0.54 -1.33 0.00 0.00 177.39 176.61 3lwo s LYS 17 N -1.70 1.90 -0.02 3.23 1.02 -1.26 -4.91 119.74 118.01 3lwo s LYS 17 Ca 0.10 -0.11 0.21 0.00 0.02 0.00 0.00 55.97 56.19 3lwo s LYS 17 Cb 0.10 -2.03 -0.29 0.00 -0.52 0.00 0.00 37.83 35.10 3lwo s LYS 17 CO 0.35 -1.55 0.66 0.39 -0.92 0.00 0.00 175.35 174.28 3lwo n GLU 18 N -3.21 0.40 -5.23 1.68 1.02 -1.26 -4.74 120.64 109.30 3lwo n GLU 18 Ca 0.09 -0.11 -0.32 0.00 -0.02 0.00 0.00 57.16 56.80 3lwo n GLU 18 Cb 0.61 -1.50 -0.17 0.00 -0.02 0.00 0.00 31.44 30.36 3lwo n GLU 18 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3lwo s VAL 19 N -3.26 2.07 -0.48 2.62 -7.23 -1.26 -1.39 120.40 111.46 3lwo s VAL 19 Ca -0.01 -1.03 -0.45 0.00 -1.81 0.00 0.00 61.98 58.68 3lwo s VAL 19 Cb 0.15 -1.77 -0.19 0.00 0.56 0.00 0.00 36.38 35.13 3lwo s VAL 19 CO 0.88 0.56 1.64 0.00 -0.31 0.00 0.00 175.10 177.87 3lwo h PRO 21 N 5.51 0.00 0.00 0.00 0.11 -1.96 -1.53 132.00 134.12 3lwo h PRO 21 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3lwo h PRO 21 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3lwo h PRO 21 CO 0.97 0.00 -0.83 0.28 -0.21 0.00 0.00 178.00 178.20 3lwo n VAL 22 N -2.47 1.26 0.07 3.15 0.31 -1.26 -4.77 118.33 114.62 3lwo n VAL 22 Ca -0.00 0.20 -0.17 0.00 -0.01 0.00 0.00 64.34 64.36 3lwo n VAL 22 Cb 0.14 -2.21 -0.14 0.00 -0.91 0.00 0.00 33.84 30.71 3lwo n VAL 22 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3lwo n GLY 24 N 1.63 0.75 3.88 0.00 0.00 -0.57 -4.98 105.19 105.91 3lwo n GLY 24 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 3lwo n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lwo s GLU 25 N -0.63 3.32 0.08 1.61 0.41 -1.26 -4.56 118.70 117.67 3lwo s GLU 25 Ca 0.00 0.58 -0.31 0.00 -0.41 0.00 0.00 54.97 54.83 3lwo s GLU 25 Cb 0.00 -2.09 -0.07 0.00 -1.78 0.00 0.00 34.13 30.19 3lwo s GLU 25 CO 0.00 -0.70 1.29 0.15 -0.49 0.00 0.00 175.26 175.51 3lwo s LYS 26 N -5.20 4.37 0.47 1.61 -0.14 -1.26 -0.31 119.74 119.29 3lwo s LYS 26 Ca 0.55 1.91 -0.07 0.00 -1.36 0.00 0.00 55.97 57.01 3lwo s LYS 26 Cb -0.11 -3.32 -0.04 0.00 -1.68 0.00 0.00 37.83 32.68 3lwo s LYS 26 CO 0.52 -0.35 0.80 0.95 -0.76 0.00 0.00 175.35 176.50 3lwo s THR 27 N 1.16 4.87 0.28 2.17 -4.23 -0.49 -4.43 115.64 114.97 3lwo s THR 27 Ca 0.62 0.33 0.06 0.00 -1.18 0.00 0.00 61.69 61.51 3lwo s THR 27 Cb -0.33 -3.84 -0.06 0.00 1.34 0.00 0.00 72.50 69.62 3lwo s THR 27 CO 0.29 -0.80 -0.04 -0.54 -0.54 0.00 0.00 174.62 173.00 3lwo s LYS 28 N -4.58 1.55 0.42 3.99 1.02 -1.14 -4.92 119.74 116.08 3lwo s LYS 28 Ca 0.49 -1.80 -0.26 0.00 0.02 0.00 0.00 55.97 54.41 3lwo s LYS 28 Cb -0.10 -1.08 -0.09 0.00 -0.52 0.00 0.00 37.83 36.03 3lwo s LYS 28 CO 0.43 -0.00 1.41 0.08 -0.92 0.00 0.00 175.35 176.34 3lwo s VAL 29 N -3.07 2.22 0.04 3.17 1.01 -1.26 -0.50 120.40 122.01 3lwo s VAL 29 Ca 0.30 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.53 3lwo s VAL 29 Cb 0.05 -3.12 -0.24 0.00 0.00 0.00 0.00 36.38 33.06 3lwo s VAL 29 CO 0.12 0.04 1.00 0.00 0.00 0.00 0.00 175.10 176.26 3lwo h ALA 30 N 2.61 0.41 -2.67 5.51 0.00 -1.63 -3.43 119.26 120.06 3lwo h ALA 30 Ca -0.50 -1.10 -0.51 0.00 0.00 0.00 0.00 54.91 52.80 3lwo h ALA 30 Cb 1.25 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3lwo h ALA 30 CO 0.62 1.28 0.42 -1.01 0.00 0.00 0.00 179.25 180.56 3lwo s HIS 31 N -2.65 3.73 0.74 0.00 3.76 -1.26 -5.00 115.29 114.61 3lwo s HIS 31 Ca -0.04 1.73 -0.11 0.00 -0.15 0.00 0.00 55.06 56.50 3lwo s HIS 31 Cb 0.08 -3.16 0.04 0.00 1.11 0.00 0.00 32.58 30.65 3lwo s HIS 31 CO 0.84 -0.17 1.08 -1.25 -0.85 0.00 0.00 174.74 174.38 3lwo s PRO 32 N -0.57 2.52 0.46 8.40 0.05 -1.26 -4.95 135.00 139.65 3lwo s PRO 32 Ca 0.46 0.99 -0.23 0.00 0.05 0.00 0.00 61.00 62.27 3lwo s PRO 32 Cb -0.27 -1.94 -0.09 0.00 0.05 0.00 0.00 34.50 32.25 3lwo s PRO 32 CO 0.34 -1.41 1.08 -2.30 0.05 0.00 0.00 177.00 174.76 3lwo n PRO 33 N -3.34 1.42 -2.27 0.56 -0.02 -1.26 -4.92 135.00 125.17 3lwo n PRO 33 Ca 0.08 0.52 -0.37 0.00 -2.02 0.00 0.00 63.50 61.70 3lwo n PRO 33 Cb 0.54 -2.18 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 3lwo n PRO 33 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3lwo s ARG 34 N -2.24 3.84 0.09 -0.52 0.52 -1.26 -5.04 118.95 114.34 3lwo s ARG 34 Ca 0.65 1.78 0.09 0.00 -0.52 0.00 0.00 55.73 57.74 3lwo s ARG 34 Cb -0.51 -2.47 -0.03 0.00 0.52 0.00 0.00 34.95 32.45 3lwo s ARG 34 CO 0.55 -0.49 -0.23 0.12 0.02 0.00 0.00 175.30 175.27 3lwo s PHE 35 N -1.52 1.99 0.01 -0.53 5.36 -1.26 -5.15 117.98 116.89 3lwo s PHE 35 Ca 0.62 -0.40 0.05 0.00 -0.96 0.00 0.00 56.93 56.24 3lwo s PHE 35 Cb -0.29 -1.12 -0.02 0.00 -0.34 0.00 0.00 43.02 41.26 3lwo s PHE 35 CO 0.35 0.21 -0.15 0.45 -1.46 0.00 0.00 175.22 174.63 3lwo s SER 36 N -1.73 1.75 0.37 6.13 0.15 -1.26 -5.04 113.70 114.07 3lwo s SER 36 Ca 0.09 -0.34 0.15 0.00 0.70 0.00 0.00 55.95 56.55 3lwo s SER 36 Cb -0.10 -0.16 0.71 0.00 -1.71 0.00 0.00 66.02 64.75 3lwo s SER 36 CO 0.04 0.13 1.79 -0.65 1.20 0.00 0.00 173.24 175.75 3lwo h PRO 37 N 5.45 0.00 0.00 5.44 0.11 -2.07 -1.21 132.00 139.72 3lwo h PRO 37 Ca -0.36 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 3lwo h PRO 37 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3lwo h PRO 37 CO 0.47 0.40 -0.03 0.93 -0.21 0.00 0.00 178.00 179.56 3lwo h GLU 38 N 0.00 0.00 -5.91 1.05 3.07 -2.06 -3.47 114.58 107.25 3lwo h GLU 38 Ca -0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.67 3lwo h GLU 38 Cb 0.77 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.68 3lwo h GLU 38 CO 0.05 0.03 -0.39 -3.47 -1.40 0.00 0.00 179.01 173.83 3lwo n ASP 39 N -3.16 -1.66 -0.02 1.42 2.03 -0.46 -4.75 116.55 109.95 3lwo n ASP 39 Ca -0.00 -0.37 0.03 0.00 0.52 0.00 0.00 54.79 54.96 3lwo n ASP 39 Cb 0.27 -0.57 0.38 0.00 -0.72 0.00 0.00 41.12 40.48 3lwo n ASP 39 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3lwo h PRO 40 N 0.63 0.57 -0.33 -0.67 0.11 -1.91 -2.51 132.00 127.89 3lwo h PRO 40 Ca -0.24 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3lwo h PRO 40 Cb 0.50 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3lwo h PRO 40 CO 0.14 0.43 0.00 0.66 -0.21 0.00 0.00 178.00 179.02 3lwo n TYR 41 N -4.42 0.88 -0.23 0.65 0.53 -1.26 -4.65 117.16 108.66 3lwo n TYR 41 Ca 0.03 -0.73 0.03 0.00 -1.02 0.00 0.00 57.90 56.21 3lwo n TYR 41 Cb 0.10 -0.23 0.15 0.00 -1.03 0.00 0.00 39.34 38.34 3lwo n TYR 41 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 3lwo h GLY 42 N 2.13 0.96 -0.01 2.72 0.00 -1.79 -1.27 103.07 105.81 3lwo h GLY 42 Ca 0.00 -0.07 0.16 0.00 0.00 0.00 0.00 47.33 47.41 3lwo h GLY 42 CO 0.17 -0.13 0.22 -2.09 0.00 0.00 0.00 176.54 174.71 3lwo h GLU 43 N 0.33 0.31 0.00 4.80 4.81 -1.82 -2.30 114.58 120.70 3lwo h GLU 43 Ca 0.37 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.42 3lwo h GLU 43 Cb 0.58 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 3lwo h GLU 43 CO -0.43 0.21 -1.35 1.88 -0.73 0.00 0.00 179.01 178.60 3lwo h TYR 44 N 0.32 0.00 -0.41 0.92 -1.99 -1.72 -3.22 116.97 110.87 3lwo h TYR 44 Ca 0.42 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 61.10 3lwo h TYR 44 Cb 0.70 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.41 3lwo h TYR 44 CO -0.23 0.58 0.05 -0.09 -0.00 0.00 0.00 178.16 178.47 3lwo h ARG 45 N 0.00 0.62 0.00 4.88 2.43 -0.80 -2.19 114.38 119.32 3lwo h ARG 45 Ca -0.15 -0.13 -0.13 0.00 -0.81 0.00 0.00 59.98 58.76 3lwo h ARG 45 Cb 1.57 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 31.01 3lwo h ARG 45 CO 0.05 0.61 -0.63 0.00 -1.51 0.00 0.00 179.97 178.48 3lwo h ARG 46 N 0.60 0.00 -0.22 0.20 3.08 -1.46 -0.88 114.38 115.71 3lwo h ARG 46 Ca 0.13 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 3lwo h ARG 46 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3lwo h ARG 46 CO 0.01 0.63 0.03 -0.09 -1.07 0.00 0.00 179.97 179.48 3lwo h ARG 47 N 0.00 0.37 -0.92 0.04 2.43 -1.45 0.29 114.38 115.13 3lwo h ARG 47 Ca -0.01 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3lwo h ARG 47 Cb 1.17 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.63 3lwo h ARG 47 CO 0.08 0.52 0.61 2.35 -1.51 0.00 0.00 179.97 182.02 3lwo h TRP 48 N 0.16 1.15 -0.07 2.20 7.01 -1.26 -2.85 115.95 122.30 3lwo h TRP 48 Ca 0.07 0.03 -0.25 0.00 2.11 0.00 0.00 58.89 60.85 3lwo h TRP 48 Cb 0.34 -0.39 0.02 0.00 -2.10 0.00 0.00 29.16 27.03 3lwo h TRP 48 CO 0.02 0.70 -0.93 -0.22 -2.79 0.00 0.00 178.44 175.23 3lwo h LYS 49 N 1.22 0.75 -0.76 2.65 3.64 -0.86 -2.79 116.57 120.42 3lwo h LYS 49 Ca 0.35 -0.72 0.01 0.00 -1.27 0.00 0.00 60.65 59.02 3lwo h LYS 49 Cb -0.09 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 3lwo h LYS 49 CO -0.09 1.30 0.50 0.00 -2.27 0.00 0.00 179.45 178.89 3lwo h ARG 50 N 0.47 0.99 -0.74 1.90 3.08 -0.41 -1.27 114.38 118.40 3lwo h ARG 50 Ca -0.10 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.83 3lwo h ARG 50 Cb 1.57 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 31.37 3lwo h ARG 50 CO 0.19 0.65 0.22 1.49 -1.07 0.00 0.00 179.97 181.45 3lwo h GLU 51 N 1.02 1.15 -0.35 0.04 4.81 -1.40 -1.38 114.58 118.47 3lwo h GLU 51 Ca 0.28 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3lwo h GLU 51 Cb -0.10 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 3lwo h GLU 51 CO -0.06 0.98 0.07 0.28 -0.73 0.00 0.00 179.01 179.55 3lwo h VAL 52 N 1.10 1.23 0.00 0.32 2.07 -1.08 -3.21 116.25 116.68 3lwo h VAL 52 Ca 0.24 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 3lwo h VAL 52 Cb 0.32 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3lwo h VAL 52 CO -0.01 0.27 -0.25 -0.07 0.02 0.00 0.00 177.57 177.53 3lwo h LEU 53 N 0.41 0.00 0.00 2.57 3.38 -1.11 -3.49 115.31 117.07 3lwo h LEU 53 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3lwo h LEU 53 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3lwo h LEU 53 CO 0.00 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.40 3lwo n GLY 54 N 0.90 3.14 0.00 0.83 0.00 -0.53 -5.10 105.19 104.43 3lwo n GLY 54 Ca 0.02 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3lwo n GLY 54 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61