#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ruu s PRO 2 N 0.00 -0.32 0.30 -0.72 0.04 -1.26 -5.09 135.00 127.95 1ruu s PRO 2 Ca 0.00 0.07 0.08 0.00 0.04 0.00 0.00 61.00 61.20 1ruu s PRO 2 Cb 0.00 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.81 1ruu s PRO 2 CO 0.00 -3.14 0.13 0.00 0.04 0.00 0.00 177.00 174.02 1ruu s ALA 3 N -3.13 3.45 -0.41 8.56 0.00 -1.26 -5.12 121.76 123.85 1ruu s ALA 3 Ca 0.69 -1.68 0.05 0.00 0.00 0.00 0.00 51.96 51.03 1ruu s ALA 3 Cb -0.12 -0.90 0.17 0.00 0.00 0.00 0.00 23.12 22.27 1ruu s ALA 3 CO 0.56 0.14 0.51 0.21 0.00 0.00 0.00 175.76 177.18 1ruu s LYS 4 N -3.81 0.79 -0.92 0.00 2.20 -1.26 -5.06 119.74 111.68 1ruu s LYS 4 Ca 0.35 -0.81 -0.06 0.00 -0.36 0.00 0.00 55.97 55.09 1ruu s LYS 4 Cb -0.05 -0.41 -0.07 0.00 -1.51 0.00 0.00 37.83 35.79 1ruu s LYS 4 CO 0.23 -1.23 2.30 -0.35 -0.36 0.00 0.00 175.35 175.93 1ruu n PRO 5 N 3.96 2.26 -1.15 4.03 -0.04 -1.26 -4.86 135.00 137.94 1ruu n PRO 5 Ca 0.14 -1.48 0.15 0.00 -0.04 0.00 0.00 63.50 62.27 1ruu n PRO 5 Cb 0.51 -2.43 -0.04 0.00 -0.04 0.00 0.00 33.50 31.50 1ruu n PRO 5 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ruu n GLU 6 N 3.91 -2.30 -3.15 0.54 1.02 -1.26 -4.95 120.64 114.45 1ruu n GLU 6 Ca 0.48 1.57 -0.06 0.00 -0.02 0.00 0.00 57.16 59.13 1ruu n GLU 6 Cb 0.20 -2.82 -0.02 0.00 -0.02 0.00 0.00 31.44 28.78 1ruu n GLU 6 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ruu s ALA 7 N -2.25 -1.69 1.05 0.62 0.00 -1.26 -5.17 121.76 113.06 1ruu s ALA 7 Ca 0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 51.96 51.47 1ruu s ALA 7 Cb 0.00 -2.53 0.21 0.00 0.00 0.00 0.00 23.12 20.81 1ruu s ALA 7 CO 0.00 -2.20 1.15 -1.25 0.00 0.00 0.00 175.76 173.46 1ruu s PRO 8 N 1.44 0.03 0.00 0.00 0.04 -1.26 -5.03 135.00 130.21 1ruu s PRO 8 Ca 0.20 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1ruu s PRO 8 Cb -0.05 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1ruu s PRO 8 CO -0.06 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 174.48 1ruu n GLY 9 N -1.76 -1.27 3.64 0.56 0.00 -1.26 -5.18 105.19 99.92 1ruu n GLY 9 Ca 0.10 0.44 -0.08 0.00 0.00 0.00 0.00 46.02 46.48 1ruu n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ruu s GLU 10 N 0.00 0.50 -0.62 1.61 2.12 -1.26 -5.10 118.70 115.95 1ruu s GLU 10 Ca 0.00 0.67 0.06 0.00 0.36 0.00 0.00 54.97 56.06 1ruu s GLU 10 Cb 0.00 0.20 0.27 0.00 0.26 0.00 0.00 34.13 34.86 1ruu s GLU 10 CO 0.00 -0.07 0.78 -0.40 -0.54 0.00 0.00 175.26 175.03 1ruu n ASP 11 N 2.74 3.75 -3.31 -1.70 5.68 -1.26 -5.05 116.55 117.40 1ruu n ASP 11 Ca -0.14 -3.46 -0.17 0.00 -0.50 0.00 0.00 54.79 50.51 1ruu n ASP 11 Cb 0.56 -0.65 -0.06 0.00 -1.14 0.00 0.00 41.12 39.83 1ruu n ASP 11 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ruu s ALA 12 N -2.64 1.37 0.69 2.12 0.00 -1.26 -5.16 121.76 116.88 1ruu s ALA 12 Ca 0.42 -1.82 -0.16 0.00 0.00 0.00 0.00 51.96 50.39 1ruu s ALA 12 Cb 0.18 1.33 0.01 0.00 0.00 0.00 0.00 23.12 24.65 1ruu s ALA 12 CO -0.04 -0.72 1.23 0.45 0.00 0.00 0.00 175.76 176.68 1ruu s SER 13 N -3.31 4.45 -1.19 0.00 0.15 -1.26 -4.88 113.70 107.67 1ruu s SER 13 Ca 0.36 2.43 -0.14 0.00 0.70 0.00 0.00 55.95 59.30 1ruu s SER 13 Cb 0.01 -2.60 -0.06 0.00 -1.71 0.00 0.00 66.02 61.67 1ruu s SER 13 CO 0.24 -2.09 2.25 -0.81 1.20 0.00 0.00 173.24 174.03 1ruu n PRO 14 N -2.34 2.47 -0.07 5.44 -0.04 -1.26 -4.42 135.00 134.79 1ruu n PRO 14 Ca 0.14 -2.10 0.04 0.00 -0.04 0.00 0.00 63.50 61.54 1ruu n PRO 14 Cb 0.50 -2.94 0.08 0.00 -0.04 0.00 0.00 33.50 31.09 1ruu n PRO 14 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ruu n GLU 15 N 5.57 1.73 0.05 0.54 0.28 -1.26 -4.66 120.64 122.88 1ruu n GLU 15 Ca 0.55 -1.50 0.00 0.00 -0.16 0.00 0.00 57.16 56.05 1ruu n GLU 15 Cb 0.32 -1.17 0.00 0.00 1.43 0.00 0.00 31.44 32.01 1ruu n GLU 15 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1ruu n GLU 16 N 0.31 0.00 0.31 3.44 1.02 -1.26 -4.91 120.64 119.55 1ruu n GLU 16 Ca 0.07 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.06 1ruu n GLU 16 Cb 0.30 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.65 1ruu n GLU 16 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1ruu h LEU 17 N 0.00 -0.91 -1.63 -4.62 5.85 -1.88 -2.71 115.31 109.40 1ruu h LEU 17 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1ruu h LEU 17 Cb 0.00 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1ruu h LEU 17 CO 0.00 -0.55 0.00 -1.28 -0.34 0.00 0.00 178.44 176.27 1ruu h SER 18 N -0.87 0.00 -0.22 1.25 0.87 -1.90 -0.96 113.55 111.72 1ruu h SER 18 Ca -0.08 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1ruu h SER 18 Cb 0.70 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1ruu h SER 18 CO 0.07 0.00 0.13 -0.09 -0.53 0.00 0.00 176.83 176.41 1ruu h ARG 19 N 0.00 0.34 -0.03 2.24 1.12 -1.75 0.17 114.38 116.47 1ruu h ARG 19 Ca 0.00 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.82 1ruu h ARG 19 Cb 0.24 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.13 1ruu h ARG 19 CO 0.00 0.26 -0.08 1.88 -3.11 0.00 0.00 179.97 178.91 1ruu h TYR 20 N 0.34 0.15 -0.26 2.20 0.05 -1.09 -2.76 116.97 115.60 1ruu h TYR 20 Ca 0.09 -0.06 0.02 0.00 0.05 0.00 0.00 58.73 58.83 1ruu h TYR 20 Cb 0.02 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1ruu h TYR 20 CO 0.00 0.69 0.13 -0.92 -1.05 0.00 0.00 178.16 177.01 1ruu h TYR 21 N -0.43 0.25 -0.56 4.88 5.03 -1.45 0.13 116.97 124.81 1ruu h TYR 21 Ca -0.00 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.29 1ruu h TYR 21 Cb 0.69 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.87 1ruu h TYR 21 CO 0.13 0.14 0.23 0.00 -1.32 0.00 0.00 178.16 177.34 1ruu h ALA 22 N 1.13 1.35 0.06 1.82 0.00 -0.76 0.43 119.26 123.30 1ruu h ALA 22 Ca 0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ruu h ALA 22 Cb 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ruu h ALA 22 CO -0.07 0.49 -0.03 1.03 0.00 0.00 0.00 179.25 180.67 1ruu h SER 23 N 0.80 -0.07 -0.02 0.00 0.87 -1.16 -3.23 113.55 110.74 1ruu h SER 23 Ca 0.19 -0.49 -0.03 0.00 -1.23 0.00 0.00 61.79 60.23 1ruu h SER 23 Cb 0.14 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1ruu h SER 23 CO -0.02 0.49 -0.06 0.25 -0.53 0.00 0.00 176.83 176.96 1ruu h LEU 24 N -0.66 0.18 -1.94 2.23 6.46 -0.59 -0.52 115.31 120.46 1ruu h LEU 24 Ca -0.01 -0.02 0.22 0.00 -0.12 0.00 0.00 57.88 57.95 1ruu h LEU 24 Cb 0.56 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.41 1ruu h LEU 24 CO 0.01 0.27 0.56 -0.09 -0.62 0.00 0.00 178.44 178.57 1ruu h ARG 25 N 0.19 0.05 0.44 1.25 1.12 -0.19 -1.36 114.38 115.89 1ruu h ARG 25 Ca 0.04 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.89 1ruu h ARG 25 Cb 0.23 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.18 1ruu h ARG 25 CO 0.01 0.03 -0.21 1.25 -3.11 0.00 0.00 179.97 177.94 1ruu h HIS 26 N 0.05 -0.55 -0.42 2.20 2.76 -1.11 -1.40 115.15 116.69 1ruu h HIS 26 Ca 0.38 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.61 1ruu h HIS 26 Cb 1.42 0.18 -0.06 0.00 1.55 0.00 0.00 27.41 30.50 1ruu h HIS 26 CO -0.00 -0.34 0.04 -0.92 -1.30 0.00 0.00 177.93 175.41 1ruu h TYR 27 N -0.73 0.05 -0.17 5.26 3.20 -1.63 -0.33 116.97 122.62 1ruu h TYR 27 Ca -0.06 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.89 1ruu h TYR 27 Cb 0.45 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1ruu h TYR 27 CO 0.07 -0.04 0.15 1.25 -1.64 0.00 0.00 178.16 177.96 1ruu h LEU 28 N 0.16 0.00 0.31 2.82 5.85 -1.31 -0.46 115.31 122.68 1ruu h LEU 28 Ca 0.20 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1ruu h LEU 28 Cb 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1ruu h LEU 28 CO -0.31 0.00 -0.15 -1.13 -0.34 0.00 0.00 178.44 176.52 1ruu h ASN 29 N 0.00 -0.35 0.62 1.25 -1.24 0.10 0.13 115.58 116.09 1ruu h ASN 29 Ca 0.08 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 56.90 1ruu h ASN 29 Cb 0.39 0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.53 1ruu h ASN 29 CO -0.00 0.06 0.00 0.00 -1.29 0.00 0.00 177.43 176.20 1ruu n LEU 30 N -5.10 0.14 0.02 0.34 -0.00 -0.96 -2.24 117.00 109.20 1ruu n LEU 30 Ca -0.09 0.53 -0.16 0.00 -0.00 0.00 0.00 56.01 56.29 1ruu n LEU 30 Cb 0.27 -0.51 -0.14 0.00 -0.00 0.00 0.00 43.42 43.04 1ruu n LEU 30 CO 0.28 -0.27 -0.55 0.58 -0.00 0.00 0.00 177.39 177.43 1ruu h VAL 31 N 0.00 0.88 -0.49 1.47 2.07 -1.04 -3.38 116.25 115.76 1ruu h VAL 31 Ca 0.00 -2.61 -0.07 0.00 0.82 0.00 0.00 66.70 64.83 1ruu h VAL 31 Cb 0.31 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 1ruu h VAL 31 CO 0.00 0.75 0.02 0.71 0.02 0.00 0.00 177.57 179.08 1ruu h THR 32 N 0.05 1.26 -0.34 2.57 1.35 -0.50 -2.80 112.91 114.51 1ruu h THR 32 Ca -0.32 -1.04 0.10 0.00 -0.55 0.00 0.00 66.41 64.60 1ruu h THR 32 Cb 2.02 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 69.39 1ruu h THR 32 CO 0.11 0.36 0.33 0.08 -0.25 0.00 0.00 175.52 176.16 1ruu h ARG 33 N 0.72 0.00 0.00 4.72 0.11 -1.68 0.22 114.38 118.47 1ruu h ARG 33 Ca 0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.22 1ruu h ARG 33 Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.56 1ruu h ARG 33 CO 0.02 0.00 0.00 0.37 0.10 0.00 0.00 179.97 180.46 1ruu h GLN 34 N 0.00 0.00 -1.37 0.08 4.15 -1.67 -3.35 115.11 112.95 1ruu h GLN 34 Ca 0.16 0.00 -0.40 0.00 0.77 0.00 0.00 58.65 59.18 1ruu h GLN 34 Cb 0.82 0.00 -0.32 0.00 0.21 0.00 0.00 27.48 28.19 1ruu h GLN 34 CO -0.00 0.00 -0.96 2.89 -1.93 0.00 0.00 178.83 178.83 1ruu n ARG 35 N -2.72 0.99 0.00 1.69 1.85 0.05 -5.15 116.66 113.36 1ruu n ARG 35 Ca 0.02 -2.92 0.02 0.00 -1.00 0.00 0.00 57.85 53.97 1ruu n ARG 35 Cb 0.34 -1.49 0.01 0.00 -1.05 0.00 0.00 32.46 30.28 1ruu n ARG 35 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60