#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 4.27 -0.05 2.98 0.04 -1.26 -4.97 135.00 136.01 1ruu s PRO 2 Ca 0.00 1.99 0.21 0.00 0.04 0.00 0.00 61.00 63.25 1ruu s PRO 2 Cb 0.00 -2.93 -0.32 0.00 0.04 0.00 0.00 34.50 31.29 1ruu s PRO 2 CO 0.00 -0.18 0.42 0.00 0.04 0.00 0.00 177.00 177.29 1ruu n ALA 3 N 0.56 2.61 -1.27 8.56 0.00 -1.26 -4.98 120.51 124.73 1ruu n ALA 3 Ca 0.02 -0.64 -0.26 0.00 0.00 0.00 0.00 53.44 52.56 1ruu n ALA 3 Cb 0.44 -0.67 -0.16 0.00 0.00 0.00 0.00 19.45 19.06 1ruu n ALA 3 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ruu n LYS 4 N -2.34 0.00 -2.38 0.00 2.85 -1.26 -4.82 118.16 110.21 1ruu n LYS 4 Ca -0.08 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.77 1ruu n LYS 4 Cb 0.66 -1.04 -0.03 0.00 -0.65 0.00 0.00 35.03 33.97 1ruu n LYS 4 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1ruu s PRO 5 N 6.72 3.16 -1.46 -1.58 0.04 -1.26 -4.91 135.00 135.71 1ruu s PRO 5 Ca 1.13 0.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.34 1ruu s PRO 5 Cb -0.88 -4.18 0.03 0.00 0.04 0.00 0.00 34.50 29.51 1ruu s PRO 5 CO 0.45 -2.12 2.37 -1.91 0.04 0.00 0.00 177.00 175.83 1ruu n GLU 6 N 8.94 3.32 -2.88 4.56 2.13 -1.26 -4.62 120.64 130.83 1ruu n GLU 6 Ca 0.11 -2.72 -0.03 0.00 0.66 0.00 0.00 57.16 55.19 1ruu n GLU 6 Cb 0.50 -3.06 0.00 0.00 0.27 0.00 0.00 31.44 29.15 1ruu n GLU 6 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ruu s ALA 7 N 2.15 -2.22 0.36 4.31 0.00 -1.26 -5.16 121.76 119.95 1ruu s ALA 7 Ca 0.52 -0.23 -0.26 0.00 0.00 0.00 0.00 51.96 51.99 1ruu s ALA 7 Cb 0.15 -2.73 -0.09 0.00 0.00 0.00 0.00 23.12 20.45 1ruu s ALA 7 CO -0.07 -2.24 1.13 -1.25 0.00 0.00 0.00 175.76 173.33 1ruu s PRO 8 N 1.14 4.25 0.00 0.00 0.04 -1.26 -4.49 135.00 134.68 1ruu s PRO 8 Ca 0.26 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1ruu s PRO 8 Cb -0.01 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1ruu s PRO 8 CO -0.06 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.27 1ruu n GLY 9 N 0.71 0.97 3.61 0.56 0.00 -1.26 -4.94 105.19 104.84 1ruu n GLY 9 Ca 0.03 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 0.48 0.00 1.61 2.56 -1.26 -5.19 118.70 116.90 1ruu s GLU 10 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 54.97 55.26 1ruu s GLU 10 Cb 0.00 0.23 0.00 0.00 2.00 0.00 0.00 34.13 36.36 1ruu s GLU 10 CO 0.00 -0.11 0.00 -3.47 -0.56 0.00 0.00 175.26 171.12 1ruu n ASP 11 N 1.31 0.12 -0.61 -1.70 -0.08 -1.26 -5.00 116.55 109.33 1ruu n ASP 11 Ca -0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 1ruu n ASP 11 Cb 0.57 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.03 1ruu n ASP 11 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ruu n ALA 12 N -3.00 0.00 -2.47 -1.67 0.00 -1.26 -5.11 120.51 107.00 1ruu n ALA 12 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1ruu n ALA 12 Cb 0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.49 2.87 1.03 0.00 0.15 -1.26 -5.12 113.70 108.88 1ruu s SER 13 Ca 0.00 -0.71 -0.03 0.00 0.70 0.00 0.00 55.95 55.91 1ruu s SER 13 Cb 0.00 -0.18 0.04 0.00 -1.71 0.00 0.00 66.02 64.18 1ruu s SER 13 CO 0.00 0.12 0.18 -0.81 1.20 0.00 0.00 173.24 173.92 1ruu n PRO 14 N 1.05 -1.10 -1.49 5.44 -0.04 -1.26 -3.31 135.00 134.29 1ruu n PRO 14 Ca -0.19 -0.28 -0.17 0.00 -0.04 0.00 0.00 63.50 62.82 1ruu n PRO 14 Cb 0.53 -0.24 -0.07 0.00 -0.04 0.00 0.00 33.50 33.68 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 -1.90 -1.32 0.03 0.54 1.02 -1.26 -4.38 120.64 113.38 1ruu n GLU 15 Ca 0.02 1.08 0.00 0.00 -0.02 0.00 0.00 57.16 58.25 1ruu n GLU 15 Cb 0.09 -5.37 0.00 0.00 -0.02 0.00 0.00 31.44 26.14 1ruu n GLU 15 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ruu n GLU 16 N -2.20 0.00 0.39 3.49 -0.58 -1.26 -4.89 120.64 115.60 1ruu n GLU 16 Ca -0.17 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.42 1ruu n GLU 16 Cb 0.59 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.39 1ruu n GLU 16 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1ruu h LEU 17 N 0.00 -0.85 -1.15 -4.62 5.85 -1.75 -2.75 115.31 110.03 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 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1ruu h LEU 17 CO 0.00 -0.59 0.00 -1.20 -0.34 0.00 0.00 178.44 176.31 1ruu n SER 18 N -4.77 0.59 0.03 1.25 7.64 -1.26 -1.70 113.62 115.41 1ruu n SER 18 Ca -0.12 0.72 0.03 0.00 1.01 0.00 0.00 58.87 60.51 1ruu n SER 18 Cb 0.40 -0.82 0.40 0.00 -1.01 0.00 0.00 64.21 63.18 1ruu n SER 18 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1ruu h ARG 19 N 0.00 0.46 -0.15 1.43 1.12 -1.83 0.19 114.38 115.60 1ruu h ARG 19 Ca 0.00 -0.05 -0.04 0.00 -1.11 0.00 0.00 59.98 58.78 1ruu h ARG 19 Cb 0.13 -0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 29.99 1ruu h ARG 19 CO 0.00 0.39 -0.04 1.88 -3.11 0.00 0.00 179.97 179.08 1ruu h TYR 20 N 0.46 0.34 -0.13 2.20 0.05 -1.33 -1.94 116.97 116.61 1ruu h TYR 20 Ca 0.11 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 1ruu h TYR 20 Cb 0.10 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 1ruu h TYR 20 CO 0.00 0.59 0.06 -0.92 -1.05 0.00 0.00 178.16 176.84 1ruu h TYR 21 N -0.01 0.18 -0.45 4.88 5.03 -1.51 0.11 116.97 125.21 1ruu h TYR 21 Ca 0.04 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 1ruu h TYR 21 Cb 0.48 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.68 1ruu h TYR 21 CO 0.05 0.23 0.14 0.00 -1.32 0.00 0.00 178.16 177.27 1ruu h ALA 22 N 0.93 1.41 -0.01 1.82 0.00 -0.69 0.32 119.26 123.04 1ruu h ALA 22 Ca 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1ruu h ALA 22 Cb 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ruu h ALA 22 CO -0.01 0.44 -0.10 1.03 0.00 0.00 0.00 179.25 180.61 1ruu h SER 23 N 0.65 0.11 -0.24 0.00 0.87 -1.17 -3.20 113.55 110.57 1ruu h SER 23 Ca 0.15 -0.69 -0.01 0.00 -1.23 0.00 0.00 61.79 60.00 1ruu h SER 23 Cb 0.19 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1ruu h SER 23 CO -0.01 0.79 0.12 0.25 -0.53 0.00 0.00 176.83 177.45 1ruu h LEU 24 N -0.56 0.36 -2.08 2.23 6.46 -0.63 -0.18 115.31 120.90 1ruu h LEU 24 Ca -0.01 -0.03 0.09 0.00 -0.12 0.00 0.00 57.88 57.82 1ruu h LEU 24 Cb 0.79 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 1ruu h LEU 24 CO 0.02 0.32 0.33 -0.09 -0.62 0.00 0.00 178.44 178.41 1ruu h ARG 25 N 0.40 0.00 0.44 1.25 2.43 -0.41 -1.91 114.38 116.59 1ruu h ARG 25 Ca 0.10 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1ruu h ARG 25 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1ruu h ARG 25 CO -0.01 0.00 -0.21 1.25 -1.51 0.00 0.00 179.97 179.49 1ruu h HIS 26 N 0.00 -0.55 -0.33 2.20 2.76 -1.01 -1.74 115.15 116.47 1ruu h HIS 26 Ca 0.15 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.36 1ruu h HIS 26 Cb 0.82 0.18 -0.05 0.00 1.55 0.00 0.00 27.41 29.91 1ruu h HIS 26 CO 0.00 -0.34 0.06 -0.92 -1.30 0.00 0.00 177.93 175.42 1ruu h TYR 27 N -0.94 0.09 -0.21 5.26 3.20 -1.63 -0.63 116.97 122.11 1ruu h TYR 27 Ca -0.06 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.89 1ruu h TYR 27 Cb 0.45 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1ruu h TYR 27 CO 0.03 0.01 0.19 1.25 -1.64 0.00 0.00 178.16 178.00 1ruu h LEU 28 N 0.17 0.00 0.57 2.82 5.85 -1.43 -0.65 115.31 122.64 1ruu h LEU 28 Ca 0.16 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1ruu h LEU 28 Cb 0.18 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.22 1ruu h LEU 28 CO -0.22 0.00 -0.27 -1.13 -0.34 0.00 0.00 178.44 176.48 1ruu h ASN 29 N 0.00 -0.65 0.59 1.25 -1.24 -0.16 0.56 115.58 115.93 1ruu h ASN 29 Ca 0.10 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.12 1ruu h ASN 29 Cb 0.48 0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.70 1ruu h ASN 29 CO -0.00 -0.24 0.00 0.17 -1.29 0.00 0.00 177.43 176.06 1ruu h LEU 30 N -1.19 0.00 0.18 0.34 8.10 -1.22 -1.38 115.31 120.13 1ruu h LEU 30 Ca -0.08 0.00 -0.32 0.00 0.11 0.00 0.00 57.88 57.59 1ruu h LEU 30 Cb 0.60 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.83 1ruu h LEU 30 CO 0.13 0.00 -1.47 0.58 -4.11 0.00 0.00 178.44 173.56 1ruu h VAL 31 N 0.00 1.26 -0.29 0.15 2.07 -1.12 -3.37 116.25 114.95 1ruu h VAL 31 Ca 0.00 -2.79 -0.05 0.00 0.82 0.00 0.00 66.70 64.68 1ruu h VAL 31 Cb 0.29 2.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 1ruu h VAL 31 CO 0.00 0.84 -0.03 0.71 0.02 0.00 0.00 177.57 179.11 1ruu h THR 32 N 0.11 1.27 -1.01 2.57 1.35 0.14 -3.25 112.91 114.07 1ruu h THR 32 Ca -0.24 -1.01 0.34 0.00 -0.55 0.00 0.00 66.41 64.95 1ruu h THR 32 Cb 2.08 1.35 -0.15 0.00 -1.73 0.00 0.00 68.15 69.69 1ruu h THR 32 CO 0.22 0.32 0.58 0.03 -0.25 0.00 0.00 175.52 176.42 1ruu h ARG 33 N 0.31 0.27 -1.02 4.72 3.08 -1.45 0.18 114.38 120.47 1ruu h ARG 33 Ca 0.08 -0.02 0.24 0.00 0.07 0.00 0.00 59.98 60.35 1ruu h ARG 33 Cb 0.48 -0.06 -0.11 0.00 0.08 0.00 0.00 29.97 30.37 1ruu h ARG 33 CO 0.02 0.18 0.63 0.37 -1.07 0.00 0.00 179.97 180.10 1ruu h GLN 34 N 0.28 0.51 -1.74 0.04 -0.00 -1.73 -2.99 115.11 109.48 1ruu h GLN 34 Ca 0.75 -0.03 -0.47 0.00 -0.00 0.00 0.00 58.65 58.90 1ruu h GLN 34 Cb 1.77 -0.11 -0.40 0.00 0.00 0.00 0.00 27.48 28.74 1ruu h GLN 34 CO -0.61 0.34 -1.10 0.54 0.00 0.00 0.00 178.83 177.99 1ruu n ARG 35 N -4.73 1.45 0.00 1.69 1.74 0.56 -5.19 116.66 112.18 1ruu n ARG 35 Ca 0.25 -3.60 0.06 0.00 -0.77 0.00 0.00 57.85 53.79 1ruu n ARG 35 Cb 0.77 -1.68 0.05 0.00 -1.02 0.00 0.00 32.46 30.58 1ruu n ARG 35 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09