#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2df0 s LYS 2 N 0.00 0.87 -0.01 6.28 1.02 -1.26 -5.02 119.74 121.62 2df0 s LYS 2 Ca 0.00 -1.03 0.03 0.00 0.02 0.00 0.00 55.97 54.99 2df0 s LYS 2 Cb 0.00 -0.85 0.11 0.00 -0.52 0.00 0.00 37.83 36.57 2df0 s LYS 2 CO 0.00 0.18 0.93 -0.35 -0.92 0.00 0.00 175.35 175.19 2df0 n PRO 3 N 1.08 1.38 -3.26 -1.68 -0.04 -1.26 -4.89 135.00 126.33 2df0 n PRO 3 Ca -0.20 -0.42 -0.08 0.00 -0.04 0.00 0.00 63.50 62.76 2df0 n PRO 3 Cb 0.55 -1.29 0.01 0.00 -0.04 0.00 0.00 33.50 32.73 2df0 n PRO 3 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2df0 n GLU 4 N -0.08 -1.45 -0.08 0.54 -0.58 -1.26 -4.99 120.64 112.74 2df0 n GLU 4 Ca 0.04 1.22 -0.18 0.00 -0.42 0.00 0.00 57.16 57.82 2df0 n GLU 4 Cb 0.21 -5.04 -0.13 0.00 -0.57 0.00 0.00 31.44 25.90 2df0 n GLU 4 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2df0 n ALA 5 N -2.27 1.28 -0.73 0.62 0.00 -1.26 -4.58 120.51 113.57 2df0 n ALA 5 Ca -0.07 -0.96 -0.22 0.00 0.00 0.00 0.00 53.44 52.19 2df0 n ALA 5 Cb 0.55 -0.32 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 2df0 n ALA 5 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2df0 n PRO 6 N -3.26 1.95 0.00 0.00 -0.02 -1.26 -4.06 135.00 128.35 2df0 n PRO 6 Ca -0.39 -1.44 0.00 0.00 -2.02 0.00 0.00 63.50 59.65 2df0 n PRO 6 Cb 1.03 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 2df0 n PRO 6 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2df0 n GLY 7 N 3.83 2.12 0.00 -1.23 0.00 -1.26 -4.88 105.19 103.77 2df0 n GLY 7 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2df0 n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2df0 n GLU 8 N -0.41 0.00 0.09 1.61 4.07 -1.26 -5.08 120.64 119.67 2df0 n GLU 8 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2df0 n GLU 8 Cb 0.23 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.61 2df0 n GLU 8 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2df0 n ASP 9 N 0.00 0.48 -0.21 4.31 -0.08 -1.26 -5.05 116.55 114.74 2df0 n ASP 9 Ca 0.00 0.29 -0.02 0.00 -1.51 0.00 0.00 54.79 53.55 2df0 n ASP 9 Cb 0.00 0.02 -0.01 0.00 2.34 0.00 0.00 41.12 43.47 2df0 n ASP 9 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2df0 n ALA 10 N -3.44 -0.05 0.04 -1.67 0.00 -1.26 -4.90 120.51 109.24 2df0 n ALA 10 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 53.44 53.47 2df0 n ALA 10 Cb 0.00 -0.67 -0.00 0.00 0.00 0.00 0.00 19.45 18.78 2df0 n ALA 10 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2df0 n SER 11 N 1.62 0.99 -0.20 0.00 7.64 -1.26 -4.21 113.62 118.20 2df0 n SER 11 Ca -0.02 0.12 -0.08 0.00 1.01 0.00 0.00 58.87 59.90 2df0 n SER 11 Cb 0.29 -0.30 0.02 0.00 -1.01 0.00 0.00 64.21 63.21 2df0 n SER 11 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2df0 h PRO 12 N -0.01 0.84 0.00 1.43 0.13 -2.03 -3.44 132.00 128.92 2df0 h PRO 12 Ca 0.00 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2df0 h PRO 12 Cb 0.01 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.01 2df0 h PRO 12 CO 0.00 0.74 0.00 -1.91 -0.23 0.00 0.00 178.00 176.60 2df0 n GLU 13 N -4.49 0.00 0.00 0.86 2.13 -1.26 -4.96 120.64 112.92 2df0 n GLU 13 Ca 0.03 0.00 0.15 0.00 0.66 0.00 0.00 57.16 58.00 2df0 n GLU 13 Cb 0.17 0.00 0.80 0.00 0.27 0.00 0.00 31.44 32.68 2df0 n GLU 13 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2df0 n GLU 14 N 0.00 0.94 -0.03 5.31 4.71 -1.26 -2.09 120.64 128.22 2df0 n GLU 14 Ca 0.00 -0.17 -0.17 0.00 -0.01 0.00 0.00 57.16 56.81 2df0 n GLU 14 Cb 0.14 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 28.94 2df0 n GLU 14 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 2df0 n LEU 15 N -0.88 2.05 -0.01 -4.62 7.94 -1.26 -1.71 117.00 118.52 2df0 n LEU 15 Ca 0.20 0.20 -0.11 0.00 -1.11 0.00 0.00 56.01 55.19 2df0 n LEU 15 Cb 0.19 -0.65 -0.05 0.00 0.53 0.00 0.00 43.42 43.45 2df0 n LEU 15 CO 0.20 0.72 0.91 -1.13 -1.11 0.00 0.00 177.39 176.98 2df0 h ASN 16 N 0.04 0.10 0.16 1.96 -0.73 -1.89 -0.58 115.58 114.65 2df0 h ASN 16 Ca -0.42 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.75 2df0 h ASN 16 Cb 2.03 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 40.60 2df0 h ASN 16 CO 0.06 0.08 0.00 0.54 -0.37 0.00 0.00 177.43 177.73 2df0 n ARG 17 N -5.03 0.78 -0.05 6.67 1.74 -0.89 -1.41 116.66 118.47 2df0 n ARG 17 Ca -0.04 0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 56.91 2df0 n ARG 17 Cb 0.04 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.91 2df0 n ARG 17 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2df0 h TYR 18 N 0.00 0.38 0.00 -1.55 5.03 -0.23 0.33 116.97 120.93 2df0 h TYR 18 Ca 0.00 -0.12 -0.01 0.00 2.58 0.00 0.00 58.73 61.19 2df0 h TYR 18 Cb 0.08 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.28 2df0 h TYR 18 CO 0.00 0.72 -0.04 1.88 -1.32 0.00 0.00 178.16 179.41 2df0 h TYR 19 N -0.07 0.00 0.14 -3.82 0.05 -0.96 -1.49 116.97 110.82 2df0 h TYR 19 Ca 0.02 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.53 2df0 h TYR 19 Cb 0.66 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.41 2df0 h TYR 19 CO 0.09 0.04 -1.33 0.00 -1.05 0.00 0.00 178.16 175.91 2df0 h ALA 20 N 1.96 0.08 -0.19 3.88 0.00 -1.16 0.23 119.26 124.07 2df0 h ALA 20 Ca -0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 54.91 53.79 2df0 h ALA 20 Cb 0.87 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2df0 h ALA 20 CO 0.00 0.74 -0.46 0.66 0.00 0.00 0.00 179.25 180.19 2df0 h SER 21 N -0.22 0.51 -0.44 0.00 4.64 -0.40 0.44 113.55 118.07 2df0 h SER 21 Ca -0.27 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 60.79 2df0 h SER 21 Cb 1.82 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.74 2df0 h SER 21 CO 0.12 0.90 0.19 0.25 -0.87 0.00 0.00 176.83 177.41 2df0 h LEU 22 N 0.39 0.60 -0.39 5.97 5.85 -1.33 0.40 115.31 126.79 2df0 h LEU 22 Ca 0.03 -0.16 -0.17 0.00 0.84 0.00 0.00 57.88 58.42 2df0 h LEU 22 Cb 0.95 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 2df0 h LEU 22 CO 0.08 0.59 -0.44 -0.09 -0.34 0.00 0.00 178.44 178.24 2df0 h ARG 23 N 0.57 0.88 -0.37 1.25 9.65 -0.21 0.24 114.38 126.38 2df0 h ARG 23 Ca 0.15 -0.49 -0.02 0.00 -1.10 0.00 0.00 59.98 58.51 2df0 h ARG 23 Cb 0.17 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 2df0 h ARG 23 CO -0.01 1.13 0.14 1.25 2.80 0.00 0.00 179.97 185.28 2df0 h HIS 24 N 0.70 0.57 -0.60 2.20 2.76 -0.03 0.29 115.15 121.04 2df0 h HIS 24 Ca 0.04 -0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 2df0 h HIS 24 Cb 1.03 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.80 2df0 h HIS 24 CO 0.06 0.53 0.27 -0.92 -1.30 0.00 0.00 177.93 176.58 2df0 h TYR 25 N 0.45 0.87 0.70 5.26 3.20 -0.84 -1.20 116.97 125.40 2df0 h TYR 25 Ca 0.12 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 2df0 h TYR 25 Cb 0.21 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 2df0 h TYR 25 CO 0.00 0.68 -0.42 1.25 -1.64 0.00 0.00 178.16 178.02 2df0 h LEU 26 N 0.82 -1.06 -1.56 2.82 5.85 -0.08 0.49 115.31 122.59 2df0 h LEU 26 Ca 0.20 0.06 0.22 0.00 0.84 0.00 0.00 57.88 59.20 2df0 h LEU 26 Cb 0.14 0.31 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 2df0 h LEU 26 CO -0.02 -0.66 0.62 -1.13 -0.34 0.00 0.00 178.44 176.90 2df0 h ASN 27 N -1.06 0.35 0.13 1.25 -0.73 -0.40 -2.27 115.58 112.85 2df0 h ASN 27 Ca -0.09 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.12 2df0 h ASN 27 Cb 0.85 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.42 2df0 h ASN 27 CO 0.10 0.13 -0.06 0.25 -0.37 0.00 0.00 177.43 177.47 2df0 h LEU 28 N 0.34 -0.15 -1.79 0.34 5.85 -0.64 -3.37 115.31 115.90 2df0 h LEU 28 Ca 0.48 -0.19 0.13 0.00 0.84 0.00 0.00 57.88 59.15 2df0 h LEU 28 Cb 1.31 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 2df0 h LEU 28 CO -0.17 0.41 0.41 1.62 -0.34 0.00 0.00 178.44 180.37 2df0 h VAL 29 N -1.01 0.80 0.00 1.05 3.04 0.28 0.63 116.25 121.04 2df0 h VAL 29 Ca -0.02 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 2df0 h VAL 29 Cb 0.33 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 30.17 2df0 h VAL 29 CO 0.03 0.04 0.00 1.07 -1.01 0.00 0.00 177.57 177.70 2df0 n THR 30 N -4.43 0.31 -0.24 3.17 5.66 -0.88 -4.13 114.28 113.73 2df0 n THR 30 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 2df0 n THR 30 Cb 0.51 -0.62 0.12 0.00 -1.55 0.00 0.00 70.33 68.80 2df0 n THR 30 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 2df0 h ARG 31 N 0.14 0.63 0.00 1.09 2.43 0.08 -1.88 114.38 116.87 2df0 h ARG 31 Ca 0.00 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 58.91 2df0 h ARG 31 Cb 0.60 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 2df0 h ARG 31 CO 0.00 0.42 -1.18 -0.56 -1.51 0.00 0.00 179.97 177.14 2df0 h GLN 32 N 0.65 0.00 0.00 0.20 -0.00 -1.83 -3.47 115.11 110.66 2df0 h GLN 32 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.98 2df0 h GLN 32 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.78 2df0 h GLN 32 CO -0.23 0.73 0.00 0.54 -0.00 0.00 0.00 178.83 179.87 2df0 n ARG 33 N -3.21 0.00 0.00 0.06 1.74 -0.71 -5.25 116.66 109.29 2df0 n ARG 33 Ca -0.05 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.06 2df0 n ARG 33 Cb 0.94 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.41 2df0 n ARG 33 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09