#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 1.23 -0.05 -0.72 0.04 -1.26 -5.10 135.00 129.13 1ruu s PRO 2 Ca 0.00 0.42 -0.05 0.00 0.04 0.00 0.00 61.00 61.41 1ruu s PRO 2 Cb 0.00 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1ruu s PRO 2 CO 0.00 -2.16 0.15 0.00 0.04 0.00 0.00 177.00 175.02 1ruu s ALA 3 N -3.19 -0.36 0.13 8.56 0.00 -1.26 -5.07 121.76 120.57 1ruu s ALA 3 Ca 0.63 0.41 -0.22 0.00 0.00 0.00 0.00 51.96 52.78 1ruu s ALA 3 Cb -0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1ruu s ALA 3 CO 0.54 -0.07 1.68 0.87 0.00 0.00 0.00 175.76 178.78 1ruu h LYS 4 N 5.92 -0.15 -7.47 0.00 1.57 -2.00 -3.44 116.57 111.00 1ruu h LYS 4 Ca -0.25 0.01 -0.48 0.00 -1.87 0.00 0.00 60.65 58.06 1ruu h LYS 4 Cb 1.20 0.03 0.11 0.00 0.08 0.00 0.00 32.23 33.66 1ruu h LYS 4 CO 0.42 -0.10 0.34 -1.25 -0.57 0.00 0.00 179.45 178.28 1ruu s PRO 5 N -6.16 1.81 0.36 3.15 0.04 -1.26 -4.93 135.00 128.01 1ruu s PRO 5 Ca -0.14 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1ruu s PRO 5 Cb 0.10 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1ruu s PRO 5 CO 0.68 -1.77 0.00 0.39 0.04 0.00 0.00 177.00 176.34 1ruu n GLU 6 N -3.50 -2.96 -3.14 4.56 4.71 -1.26 -5.01 120.64 114.04 1ruu n GLU 6 Ca 0.07 1.99 -0.11 0.00 -0.01 0.00 0.00 57.16 59.10 1ruu n GLU 6 Cb 0.58 -3.60 0.01 0.00 -1.01 0.00 0.00 31.44 27.41 1ruu n GLU 6 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ruu n ALA 7 N -2.42 -2.70 -1.07 0.62 0.00 -1.26 -4.99 120.51 108.68 1ruu n ALA 7 Ca 0.00 0.43 -0.29 0.00 0.00 0.00 0.00 53.44 53.58 1ruu n ALA 7 Cb 0.67 -2.31 0.21 0.00 0.00 0.00 0.00 19.45 18.02 1ruu n ALA 7 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ruu s PRO 8 N -3.06 -0.52 -0.39 0.00 0.04 -1.26 -5.07 135.00 124.74 1ruu s PRO 8 Ca 0.13 0.25 -0.02 0.00 0.04 0.00 0.00 61.00 61.40 1ruu s PRO 8 Cb -0.03 -1.65 0.20 0.00 0.04 0.00 0.00 34.50 33.06 1ruu s PRO 8 CO 0.79 -3.31 0.96 0.20 0.04 0.00 0.00 177.00 175.68 1ruu s GLY 9 N -3.59 -1.64 0.00 0.56 0.00 -1.26 -5.03 107.32 96.36 1ruu s GLY 9 Ca 0.68 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.82 1ruu s GLY 9 CO 0.57 4.09 0.85 -1.84 0.00 0.00 0.00 173.10 176.78 1ruu n GLU 10 N 3.02 0.71 -2.73 2.90 0.28 -1.26 -4.74 120.64 118.82 1ruu n GLU 10 Ca 0.12 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.69 1ruu n GLU 10 Cb 0.62 -1.15 -0.00 0.00 1.43 0.00 0.00 31.44 32.34 1ruu n GLU 10 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1ruu s ASP 11 N 1.20 6.93 -1.47 -1.84 1.11 -1.26 -4.89 116.67 116.45 1ruu s ASP 11 Ca 0.00 -2.65 -0.10 0.00 0.18 0.00 0.00 52.55 49.98 1ruu s ASP 11 Cb 0.00 -2.50 -0.11 0.00 1.07 0.00 0.00 42.92 41.38 1ruu s ASP 11 CO 0.00 -1.00 3.02 0.00 1.18 0.00 0.00 175.17 178.36 1ruu n ALA 12 N 7.26 7.44 -3.76 5.23 0.00 -1.26 -4.75 120.51 130.66 1ruu n ALA 12 Ca 0.43 -3.35 -0.29 0.00 0.00 0.00 0.00 53.44 50.23 1ruu n ALA 12 Cb 0.45 -3.28 -0.12 0.00 0.00 0.00 0.00 19.45 16.50 1ruu n ALA 12 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ruu s SER 13 N 2.17 3.80 -0.52 0.00 0.15 -1.26 -5.02 113.70 113.02 1ruu s SER 13 Ca 0.69 -3.19 -0.05 0.00 0.70 0.00 0.00 55.95 54.10 1ruu s SER 13 Cb 0.19 -1.24 -0.13 0.00 -1.71 0.00 0.00 66.02 63.13 1ruu s SER 13 CO -0.05 -0.18 2.50 -0.81 1.20 0.00 0.00 173.24 175.89 1ruu n PRO 14 N 2.81 1.91 0.00 5.44 -0.04 -1.26 -3.87 135.00 139.99 1ruu n PRO 14 Ca 0.15 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 1ruu n PRO 14 Cb 0.36 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 1ruu n PRO 14 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ruu n GLU 15 N 3.30 1.50 0.00 0.54 1.02 -1.26 -4.74 120.64 121.00 1ruu n GLU 15 Ca 0.41 -1.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.55 1ruu n GLU 15 Cb 0.41 -0.79 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 1ruu n GLU 15 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ruu n GLU 16 N -0.26 0.00 0.37 3.49 2.13 -1.25 -4.85 120.64 120.26 1ruu n GLU 16 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 1ruu n GLU 16 Cb 0.33 -0.14 -0.07 0.00 0.27 0.00 0.00 31.44 31.83 1ruu n GLU 16 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1ruu h LEU 17 N 0.00 -0.80 -2.66 4.31 5.85 -1.89 -3.10 115.31 117.01 1ruu h LEU 17 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1ruu h LEU 17 Cb 0.00 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1ruu h LEU 17 CO 0.00 -0.52 0.00 -1.28 -0.34 0.00 0.00 178.44 176.30 1ruu h SER 18 N -1.06 0.00 -0.39 1.25 0.87 -1.90 -0.56 113.55 111.76 1ruu h SER 18 Ca -0.10 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1ruu h SER 18 Cb 0.72 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 1ruu h SER 18 CO 0.16 0.00 0.26 -0.09 -0.53 0.00 0.00 176.83 176.63 1ruu h ARG 19 N 0.00 0.33 -0.05 2.24 1.12 -1.87 0.19 114.38 116.35 1ruu h ARG 19 Ca 0.00 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.83 1ruu h ARG 19 Cb 0.00 -0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 29.89 1ruu h ARG 19 CO 0.00 0.22 -0.07 1.88 -3.11 0.00 0.00 179.97 178.89 1ruu h TYR 20 N 0.34 0.16 -0.27 2.20 0.05 -1.17 -2.64 116.97 115.64 1ruu h TYR 20 Ca 0.17 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 1ruu h TYR 20 Cb 0.24 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 1ruu h TYR 20 CO -0.00 0.62 0.11 -0.92 -1.05 0.00 0.00 178.16 176.92 1ruu h TYR 21 N -0.34 0.41 -0.35 4.88 3.20 -1.46 0.11 116.97 123.42 1ruu h TYR 21 Ca 0.01 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.86 1ruu h TYR 21 Cb 0.60 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 1ruu h TYR 21 CO 0.10 0.42 0.23 0.00 -1.64 0.00 0.00 178.16 177.28 1ruu h ALA 22 N 0.95 1.81 -0.04 1.82 0.00 -0.75 0.39 119.26 123.44 1ruu h ALA 22 Ca 0.09 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1ruu h ALA 22 Cb 0.18 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ruu h ALA 22 CO -0.01 0.16 -0.42 1.03 0.00 0.00 0.00 179.25 180.02 1ruu h SER 23 N 0.42 0.44 0.28 0.00 0.87 -1.06 -3.29 113.55 111.21 1ruu h SER 23 Ca 0.14 -0.70 -0.05 0.00 -1.23 0.00 0.00 61.79 59.94 1ruu h SER 23 Cb 0.03 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1ruu h SER 23 CO -0.03 1.08 -0.23 0.25 -0.53 0.00 0.00 176.83 177.37 1ruu h LEU 24 N -0.17 0.00 -1.28 2.23 7.12 -0.35 -2.31 115.31 120.55 1ruu h LEU 24 Ca -0.04 0.00 0.23 0.00 0.13 0.00 0.00 57.88 58.20 1ruu h LEU 24 Cb 1.10 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 41.14 1ruu h LEU 24 CO 0.08 0.23 0.64 -0.09 -0.13 0.00 0.00 178.44 179.17 1ruu h ARG 25 N 0.00 0.49 0.88 1.25 9.65 -0.29 0.19 114.38 126.55 1ruu h ARG 25 Ca -0.00 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.81 1ruu h ARG 25 Cb 0.43 -0.11 0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1ruu h ARG 25 CO 0.03 0.32 -0.42 1.25 2.80 0.00 0.00 179.97 183.95 1ruu h HIS 26 N 0.50 -1.10 -0.30 2.20 2.76 -1.53 0.16 115.15 117.84 1ruu h HIS 26 Ca 0.57 -0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.77 1ruu h HIS 26 Cb 1.27 0.36 -0.05 0.00 1.55 0.00 0.00 27.41 30.55 1ruu h HIS 26 CO -0.00 -0.68 0.01 -0.92 -1.30 0.00 0.00 177.93 175.04 1ruu h TYR 27 N -1.25 -0.00 0.00 5.26 5.03 -1.59 -0.56 116.97 123.85 1ruu h TYR 27 Ca -0.12 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.21 1ruu h TYR 27 Cb 0.91 0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.24 1ruu h TYR 27 CO -0.00 -0.04 0.00 1.25 -1.32 0.00 0.00 178.16 178.04 1ruu h LEU 28 N 0.10 0.00 0.04 2.82 5.85 -0.91 -1.29 115.31 121.91 1ruu h LEU 28 Ca 0.14 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1ruu h LEU 28 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1ruu h LEU 28 CO -0.24 0.00 -0.02 -1.13 -0.34 0.00 0.00 178.44 176.72 1ruu h ASN 29 N 0.00 -0.04 0.82 1.25 -0.73 0.68 -0.96 115.58 116.59 1ruu h ASN 29 Ca 0.00 -0.54 0.00 0.00 1.87 0.00 0.00 56.30 57.63 1ruu h ASN 29 Cb 0.03 0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.63 1ruu h ASN 29 CO 0.00 0.69 0.00 0.00 -0.37 0.00 0.00 177.43 177.75 1ruu n LEU 30 N -4.74 0.71 0.08 0.34 -0.00 -1.00 -1.91 117.00 110.48 1ruu n LEU 30 Ca -0.06 0.66 -0.21 0.00 -0.00 0.00 0.00 56.01 56.40 1ruu n LEU 30 Cb 0.28 -0.55 -0.15 0.00 -0.00 0.00 0.00 43.42 43.01 1ruu n LEU 30 CO 0.22 -0.53 -0.44 0.58 -0.00 0.00 0.00 177.39 177.21 1ruu h VAL 31 N 0.00 1.04 -0.11 1.47 2.07 -1.32 -3.37 116.25 116.02 1ruu h VAL 31 Ca 0.00 -2.63 -0.02 0.00 0.82 0.00 0.00 66.70 64.87 1ruu h VAL 31 Cb 0.41 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1ruu h VAL 31 CO 0.00 0.84 -0.02 0.71 0.02 0.00 0.00 177.57 179.12 1ruu h THR 32 N 0.10 1.29 -1.00 2.57 1.35 -0.92 -3.25 112.91 113.05 1ruu h THR 32 Ca -0.30 -0.94 0.26 0.00 -0.55 0.00 0.00 66.41 64.88 1ruu h THR 32 Cb 2.08 1.68 -0.19 0.00 -1.73 0.00 0.00 68.15 70.00 1ruu h THR 32 CO 0.18 0.27 -0.02 0.03 -0.25 0.00 0.00 175.52 175.73 1ruu h ARG 33 N -0.10 0.00 -0.79 4.72 -0.00 -1.55 0.25 114.38 116.92 1ruu h ARG 33 Ca 0.03 -0.00 0.17 0.00 -0.50 0.00 0.00 59.98 59.68 1ruu h ARG 33 Cb 0.43 -0.00 -0.11 0.00 0.00 0.00 0.00 29.97 30.29 1ruu h ARG 33 CO 0.01 0.00 0.28 0.37 0.00 0.00 0.00 179.97 180.63 1ruu h GLN 34 N 0.00 0.36 -1.55 0.04 -0.00 -1.72 -3.11 115.11 109.13 1ruu h GLN 34 Ca 0.59 -0.02 -0.46 0.00 -0.00 0.00 0.00 58.65 58.76 1ruu h GLN 34 Cb 1.17 -0.08 -0.40 0.00 0.00 0.00 0.00 27.48 28.16 1ruu h GLN 34 CO -0.95 0.24 -1.08 0.54 0.00 0.00 0.00 178.83 177.58 1ruu n ARG 35 N -5.07 1.61 0.00 1.69 5.12 0.19 -5.18 116.66 115.02 1ruu n ARG 35 Ca 0.16 -3.63 0.15 0.00 -1.93 0.00 0.00 57.85 52.60 1ruu n ARG 35 Cb 0.50 -1.64 0.72 0.00 -1.16 0.00 0.00 32.46 30.88 1ruu n ARG 35 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68