#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 0.99 -0.72 0.04 -1.26 -5.02 135.00 127.80 1ruu s PRO 2 Ca 0.00 0.06 -0.13 0.00 0.04 0.00 0.00 61.00 60.98 1ruu s PRO 2 Cb 0.00 -1.58 0.11 0.00 0.04 0.00 0.00 34.50 33.07 1ruu s PRO 2 CO 0.00 -3.74 0.65 0.00 0.04 0.00 0.00 177.00 173.95 1ruu n ALA 3 N -4.80 -2.30 -3.19 8.56 0.00 -1.26 -5.07 120.51 112.44 1ruu n ALA 3 Ca 0.12 -0.75 -0.12 0.00 0.00 0.00 0.00 53.44 52.68 1ruu n ALA 3 Cb 0.59 -1.91 -0.05 0.00 0.00 0.00 0.00 19.45 18.09 1ruu n ALA 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ruu s LYS 4 N -4.01 1.06 -1.16 0.00 -2.85 -1.26 -5.07 119.74 106.45 1ruu s LYS 4 Ca 0.61 -0.45 -0.20 0.00 -1.00 0.00 0.00 55.97 54.94 1ruu s LYS 4 Cb -0.21 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.00 1ruu s LYS 4 CO 0.64 -0.40 1.94 -0.35 0.10 0.00 0.00 175.35 177.27 1ruu n PRO 5 N 0.10 2.23 -2.12 1.78 -0.04 -1.26 -4.93 135.00 130.76 1ruu n PRO 5 Ca -0.17 -2.55 -0.43 0.00 -0.04 0.00 0.00 63.50 60.31 1ruu n PRO 5 Cb 0.62 -3.38 -0.02 0.00 -0.04 0.00 0.00 33.50 30.67 1ruu n PRO 5 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1ruu s GLU 6 N 4.89 3.71 -0.73 0.54 2.12 -1.26 -4.96 118.70 123.02 1ruu s GLU 6 Ca 0.58 1.55 0.04 0.00 0.36 0.00 0.00 54.97 57.50 1ruu s GLU 6 Cb 0.07 -4.06 0.23 0.00 0.26 0.00 0.00 34.13 30.63 1ruu s GLU 6 CO 0.07 -1.40 0.73 0.00 -0.54 0.00 0.00 175.26 174.12 1ruu n ALA 7 N 8.75 3.93 -2.04 6.30 0.00 -1.26 -5.08 120.51 131.11 1ruu n ALA 7 Ca 0.19 -4.69 -0.42 0.00 0.00 0.00 0.00 53.44 48.52 1ruu n ALA 7 Cb 0.46 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 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 -2.07 4.24 0.00 0.00 0.04 -1.26 -4.99 135.00 130.96 1ruu s PRO 8 Ca 0.33 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1ruu s PRO 8 Cb 0.06 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1ruu s PRO 8 CO -0.06 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.76 1ruu n GLY 9 N 3.79 -0.13 3.14 0.56 0.00 -1.26 -5.01 105.19 106.28 1ruu n GLY 9 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 1ruu n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ruu s GLU 10 N 0.00 0.49 -0.37 1.61 0.41 -1.26 -5.12 118.70 114.46 1ruu s GLU 10 Ca 0.00 0.93 0.02 0.00 -0.41 0.00 0.00 54.97 55.51 1ruu s GLU 10 Cb 0.00 0.29 0.11 0.00 -1.78 0.00 0.00 34.13 32.75 1ruu s GLU 10 CO 0.00 -0.56 0.13 -0.51 -0.49 0.00 0.00 175.26 173.83 1ruu s ASP 11 N 2.76 4.24 -0.50 -0.19 1.11 -1.26 -5.00 116.67 117.82 1ruu s ASP 11 Ca 0.15 -2.20 0.07 0.00 0.18 0.00 0.00 52.55 50.74 1ruu s ASP 11 Cb -0.15 -1.26 0.20 0.00 1.07 0.00 0.00 42.92 42.78 1ruu s ASP 11 CO -0.19 -0.35 0.71 0.00 1.18 0.00 0.00 175.17 176.53 1ruu n ALA 12 N 4.15 -1.35 -1.76 5.23 0.00 -1.26 -5.15 120.51 120.37 1ruu n ALA 12 Ca 0.03 -1.29 -0.38 0.00 0.00 0.00 0.00 53.44 51.80 1ruu n ALA 12 Cb 0.39 -1.40 0.02 0.00 0.00 0.00 0.00 19.45 18.46 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 0.41 5.67 -0.07 0.00 0.15 -1.26 -4.98 113.70 113.63 1ruu s SER 13 Ca 0.31 2.56 -0.30 0.00 0.70 0.00 0.00 55.95 59.22 1ruu s SER 13 Cb 0.04 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 1ruu s SER 13 CO -0.09 -1.28 1.14 -2.16 1.20 0.00 0.00 173.24 172.05 1ruu s PRO 14 N -2.81 4.38 -0.32 5.44 0.04 -1.26 -4.94 135.00 135.52 1ruu s PRO 14 Ca 0.68 1.59 -0.06 0.00 0.04 0.00 0.00 61.00 63.25 1ruu s PRO 14 Cb -0.35 -3.55 0.19 0.00 0.04 0.00 0.00 34.50 30.83 1ruu s PRO 14 CO 0.42 -0.40 0.93 -1.83 0.04 0.00 0.00 177.00 176.16 1ruu s GLU 15 N 2.11 0.30 0.00 4.56 -1.05 -1.26 -4.97 118.70 118.40 1ruu s GLU 15 Ca 0.54 0.07 0.00 0.00 -0.15 0.00 0.00 54.97 55.43 1ruu s GLU 15 Cb -0.23 0.08 0.00 0.00 -0.44 0.00 0.00 34.13 33.54 1ruu s GLU 15 CO 0.21 -0.49 0.00 -1.91 0.95 0.00 0.00 175.26 174.02 1ruu n GLU 16 N 4.56 0.00 0.02 -4.83 2.13 -1.26 -4.60 120.64 116.66 1ruu n GLU 16 Ca 0.08 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.78 1ruu n GLU 16 Cb 0.59 -0.06 -0.05 0.00 0.27 0.00 0.00 31.44 32.19 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 -1.08 -1.75 4.31 5.85 -1.94 -0.83 115.31 119.87 1ruu h LEU 17 Ca 0.00 0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1ruu h LEU 17 Cb 0.00 0.45 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1ruu h LEU 17 CO 0.00 -0.39 0.29 0.77 -0.34 0.00 0.00 178.44 178.77 1ruu h SER 18 N -0.46 0.27 0.23 1.25 4.64 -1.93 0.91 113.55 118.46 1ruu h SER 18 Ca 0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1ruu h SER 18 Cb 0.58 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1ruu h SER 18 CO -0.34 0.17 -0.00 -0.09 -0.87 0.00 0.00 176.83 175.70 1ruu h ARG 19 N 0.30 0.00 0.02 4.77 1.12 -1.52 0.49 114.38 119.57 1ruu h ARG 19 Ca 0.19 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.98 1ruu h ARG 19 Cb 0.37 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.33 1ruu h ARG 19 CO -0.04 0.00 -0.41 1.88 -3.11 0.00 0.00 179.97 178.29 1ruu h TYR 20 N 0.00 0.08 -0.17 2.20 0.05 -0.60 -3.21 116.97 115.32 1ruu h TYR 20 Ca -0.00 -0.06 -0.08 0.00 0.05 0.00 0.00 58.73 58.64 1ruu h TYR 20 Cb 0.12 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.85 1ruu h TYR 20 CO 0.00 1.16 -0.21 -0.92 -1.05 0.00 0.00 178.16 177.14 1ruu h TYR 21 N -0.90 0.54 -0.59 4.88 3.20 -1.12 0.16 116.97 123.15 1ruu h TYR 21 Ca -0.10 -0.17 -0.04 0.00 3.14 0.00 0.00 58.73 61.56 1ruu h TYR 21 Cb 1.17 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 1ruu h TYR 21 CO 0.23 0.84 0.22 0.00 -1.64 0.00 0.00 178.16 177.80 1ruu h ALA 22 N 0.61 1.27 -0.03 1.82 0.00 -0.24 0.54 119.26 123.23 1ruu h ALA 22 Ca 0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1ruu h ALA 22 Cb 0.77 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ruu h ALA 22 CO 0.05 0.53 -0.12 1.03 0.00 0.00 0.00 179.25 180.74 1ruu h SER 23 N 0.85 0.17 -0.01 0.00 0.87 -1.55 -3.07 113.55 110.80 1ruu h SER 23 Ca 0.20 -0.63 -0.04 0.00 -1.23 0.00 0.00 61.79 60.08 1ruu h SER 23 Cb 0.20 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1ruu h SER 23 CO -0.02 0.77 -0.10 0.25 -0.53 0.00 0.00 176.83 177.21 1ruu h LEU 24 N -0.43 0.23 -2.05 2.23 6.46 -0.72 -1.62 115.31 119.41 1ruu h LEU 24 Ca -0.01 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 1ruu h LEU 24 Cb 0.76 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1ruu h LEU 24 CO 0.03 0.36 -0.09 -0.09 -0.62 0.00 0.00 178.44 178.03 1ruu h ARG 25 N 0.23 0.00 0.60 1.25 1.12 0.03 -1.96 114.38 115.65 1ruu h ARG 25 Ca 0.05 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.89 1ruu h ARG 25 Cb 0.33 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.30 1ruu h ARG 25 CO 0.02 0.09 -0.29 1.25 -3.11 0.00 0.00 179.97 177.93 1ruu h HIS 26 N 0.00 -0.74 -0.28 2.20 2.76 -1.19 -1.19 115.15 116.71 1ruu h HIS 26 Ca -0.00 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.21 1ruu h HIS 26 Cb 0.26 0.25 -0.05 0.00 1.55 0.00 0.00 27.41 29.41 1ruu h HIS 26 CO 0.00 -0.43 -0.05 -0.92 -1.30 0.00 0.00 177.93 175.23 1ruu h TYR 27 N -1.17 -0.11 -0.08 5.26 3.20 -1.62 -0.90 116.97 121.56 1ruu h TYR 27 Ca -0.08 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.83 1ruu h TYR 27 Cb 0.64 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.00 1ruu h TYR 27 CO 0.00 -0.10 0.12 1.25 -1.64 0.00 0.00 178.16 177.80 1ruu h LEU 28 N 0.02 0.00 -0.00 2.82 5.85 -1.39 -1.40 115.31 121.21 1ruu h LEU 28 Ca 0.13 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1ruu h LEU 28 Cb 0.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1ruu h LEU 28 CO -0.27 0.00 -0.20 -1.13 -0.34 0.00 0.00 178.44 176.50 1ruu h ASN 29 N 0.00 0.18 0.52 1.25 -1.24 0.12 -0.74 115.58 115.67 1ruu h ASN 29 Ca 0.04 -0.78 0.00 0.00 0.71 0.00 0.00 56.30 56.27 1ruu h ASN 29 Cb 0.28 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.27 1ruu h ASN 29 CO -0.00 0.93 0.00 0.00 -1.29 0.00 0.00 177.43 177.07 1ruu n LEU 30 N -4.55 0.00 -0.05 0.34 -0.00 -0.95 -2.72 117.00 109.07 1ruu n LEU 30 Ca -0.10 0.32 -0.07 0.00 -0.00 0.00 0.00 56.01 56.16 1ruu n LEU 30 Cb 0.48 -0.32 -0.14 0.00 -0.00 0.00 0.00 43.42 43.43 1ruu n LEU 30 CO 0.38 -0.06 -0.80 0.52 -0.00 0.00 0.00 177.39 177.43 1ruu n VAL 31 N -1.32 1.40 0.05 1.47 0.31 -0.56 -4.43 118.33 115.25 1ruu n VAL 31 Ca 0.11 -0.80 -0.18 0.00 -0.01 0.00 0.00 64.34 63.46 1ruu n VAL 31 Cb 0.21 -0.70 -0.08 0.00 -0.91 0.00 0.00 33.84 32.36 1ruu n VAL 31 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1ruu h THR 32 N 0.00 1.33 -0.37 2.52 1.35 -1.02 -3.25 112.91 113.47 1ruu h THR 32 Ca -0.38 -2.35 0.11 0.00 -0.55 0.00 0.00 66.41 63.24 1ruu h THR 32 Cb 2.03 2.41 -0.01 0.00 -1.73 0.00 0.00 68.15 70.85 1ruu h THR 32 CO 0.05 0.71 0.63 0.08 -0.25 0.00 0.00 175.52 176.74 1ruu h ARG 33 N 0.32 0.00 0.49 4.72 0.11 -1.72 0.21 114.38 118.51 1ruu h ARG 33 Ca -0.11 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.94 1ruu h ARG 33 Cb 1.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.75 1ruu h ARG 33 CO 0.19 0.00 -0.24 1.96 0.10 0.00 0.00 179.97 181.98 1ruu h GLN 34 N 0.00 -0.64 -0.00 0.08 1.08 -1.80 -3.26 115.11 110.57 1ruu h GLN 34 Ca 0.18 0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 57.32 1ruu h GLN 34 Cb 1.43 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.99 1ruu h GLN 34 CO -0.00 -0.43 -0.47 0.07 -0.95 0.00 0.00 178.83 177.05 1ruu h ARG 35 N -0.72 0.00 -0.02 1.46 0.11 -1.56 -3.53 114.38 110.11 1ruu h ARG 35 Ca -0.07 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 1ruu h ARG 35 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 1ruu h ARG 35 CO 0.11 0.48 0.00 0.98 0.10 0.00 0.00 179.97 181.64