#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 2.71 0.33 0.38 1.02 -1.26 -4.96 119.74 117.96 2df0 s LYS 2 Ca 0.00 -1.15 0.08 0.00 0.02 0.00 0.00 55.97 54.92 2df0 s LYS 2 Cb 0.00 -3.62 0.57 0.00 -0.52 0.00 0.00 37.83 34.26 2df0 s LYS 2 CO 0.00 -0.71 1.77 -1.35 -0.92 0.00 0.00 175.35 174.14 2df0 h PRO 3 N 8.34 0.18 -5.74 -1.68 0.11 -2.02 -3.48 132.00 127.73 2df0 h PRO 3 Ca -0.24 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 65.66 2df0 h PRO 3 Cb 1.09 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2df0 h PRO 3 CO 0.65 0.52 -0.50 0.39 -0.21 0.00 0.00 178.00 178.84 2df0 n GLU 4 N -4.08 -1.76 -2.98 1.05 -0.58 -1.26 -5.01 120.64 106.01 2df0 n GLU 4 Ca -0.01 1.55 -0.14 0.00 -0.42 0.00 0.00 57.16 58.14 2df0 n GLU 4 Cb 0.42 -4.66 -0.02 0.00 -0.57 0.00 0.00 31.44 26.62 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 -1.26 0.14 -2.53 0.62 0.00 -1.26 -5.06 120.51 111.15 2df0 n ALA 5 Ca -0.03 -2.06 -0.43 0.00 0.00 0.00 0.00 53.44 50.92 2df0 n ALA 5 Cb 0.55 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2df0 n ALA 5 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2df0 n PRO 6 N 2.22 3.20 -0.05 0.00 -0.05 -1.26 -4.61 135.00 134.46 2df0 n PRO 6 Ca 0.19 -3.30 -0.10 0.00 -0.05 0.00 0.00 63.50 60.23 2df0 n PRO 6 Cb 0.56 -3.38 -0.03 0.00 -0.05 0.00 0.00 33.50 30.59 2df0 n PRO 6 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2df0 n GLY 7 N 4.96 -0.21 0.16 0.55 0.00 -1.26 -4.78 105.19 104.61 2df0 n GLY 7 Ca 0.47 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.49 2df0 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2df0 n GLU 8 N -3.64 1.38 -3.25 1.61 4.71 -1.26 -4.79 120.64 115.40 2df0 n GLU 8 Ca -0.19 -0.34 -0.18 0.00 -0.01 0.00 0.00 57.16 56.43 2df0 n GLU 8 Cb 0.55 -1.33 -0.07 0.00 -1.01 0.00 0.00 31.44 29.58 2df0 n GLU 8 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 2df0 s ASP 9 N -2.42 0.75 0.00 1.62 -4.77 -1.26 -4.84 116.67 105.74 2df0 s ASP 9 Ca 0.10 -2.20 0.00 0.00 -3.30 0.00 0.00 52.55 47.15 2df0 s ASP 9 Cb 0.14 0.45 0.00 0.00 -1.09 0.00 0.00 42.92 42.41 2df0 s ASP 9 CO 0.61 -0.18 0.00 0.00 0.70 0.00 0.00 175.17 176.30 2df0 n ALA 10 N 3.42 0.00 0.33 2.11 0.00 -1.26 -3.11 120.51 122.00 2df0 n ALA 10 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.45 2df0 n ALA 10 Cb 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.84 2df0 n ALA 10 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2df0 h SER 11 N 0.00 -1.26 -0.21 0.00 0.02 -1.89 -1.81 113.55 108.41 2df0 h SER 11 Ca 0.00 0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 2df0 h SER 11 Cb 0.00 0.40 -0.06 0.00 0.14 0.00 0.00 62.40 62.88 2df0 h SER 11 CO 0.00 -0.67 0.18 -0.81 -1.14 0.00 0.00 176.83 174.39 2df0 n PRO 12 N -5.57 1.34 -1.97 3.45 -0.05 -1.26 -4.67 135.00 126.28 2df0 n PRO 12 Ca -0.13 -0.67 -0.14 0.00 -0.05 0.00 0.00 63.50 62.51 2df0 n PRO 12 Cb 0.46 -1.26 -0.03 0.00 -0.05 0.00 0.00 33.50 32.62 2df0 n PRO 12 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 2df0 n GLU 13 N 0.96 -1.09 0.00 0.54 2.13 -0.68 -4.85 120.64 117.64 2df0 n GLU 13 Ca 0.13 0.81 0.09 0.00 0.66 0.00 0.00 57.16 58.84 2df0 n GLU 13 Cb 0.54 -5.03 0.44 0.00 0.27 0.00 0.00 31.44 27.66 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 -2.45 0.20 0.13 5.31 -0.58 -1.20 -1.47 120.64 120.57 2df0 n GLU 14 Ca -0.16 0.13 0.01 0.00 -0.42 0.00 0.00 57.16 56.73 2df0 n GLU 14 Cb 0.57 -1.50 0.35 0.00 -0.57 0.00 0.00 31.44 30.29 2df0 n GLU 14 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2df0 h LEU 15 N 0.00 0.18 -0.28 -4.62 5.85 -1.67 0.31 115.31 115.09 2df0 h LEU 15 Ca 0.00 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2df0 h LEU 15 Cb 0.20 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2df0 h LEU 15 CO 0.00 0.43 -0.02 0.78 -0.34 0.00 0.00 178.44 179.29 2df0 h ASN 16 N 0.17 0.50 0.44 1.25 2.35 -1.59 0.58 115.58 119.28 2df0 h ASN 16 Ca 0.03 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 2df0 h ASN 16 Cb 0.52 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2df0 h ASN 16 CO 0.04 0.71 -0.04 -2.11 -1.65 0.00 0.00 177.43 174.38 2df0 n ARG 17 N -4.57 0.57 0.03 0.81 1.85 -1.08 -1.55 116.66 112.73 2df0 n ARG 17 Ca -0.03 -0.08 -0.19 0.00 -1.00 0.00 0.00 57.85 56.54 2df0 n ARG 17 Cb 0.27 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.07 2df0 n ARG 17 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 2df0 h TYR 18 N 0.20 0.76 -0.87 2.89 3.20 0.44 0.38 116.97 123.97 2df0 h TYR 18 Ca 0.00 -0.44 0.04 0.00 3.14 0.00 0.00 58.73 61.47 2df0 h TYR 18 Cb 0.29 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 2df0 h TYR 18 CO 0.00 1.28 0.57 1.88 -1.64 0.00 0.00 178.16 180.25 2df0 h TYR 19 N 0.02 1.04 0.00 -3.82 -1.99 -0.46 -1.37 116.97 110.39 2df0 h TYR 19 Ca -0.12 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.61 2df0 h TYR 19 Cb 1.54 -0.35 -0.00 0.00 2.00 0.00 0.00 36.73 39.92 2df0 h TYR 19 CO 0.14 0.59 -0.30 0.00 -0.00 0.00 0.00 178.16 178.58 2df0 h ALA 20 N 1.50 0.04 -0.22 3.88 0.00 -1.21 -0.93 119.26 122.32 2df0 h ALA 20 Ca 0.35 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2df0 h ALA 20 Cb 0.07 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2df0 h ALA 20 CO -0.11 0.23 -0.23 0.66 0.00 0.00 0.00 179.25 179.79 2df0 h SER 21 N -1.00 0.40 0.87 0.00 4.64 -0.33 0.31 113.55 118.44 2df0 h SER 21 Ca -0.05 -0.12 -0.17 0.00 -0.47 0.00 0.00 61.79 60.98 2df0 h SER 21 Cb 0.52 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2df0 h SER 21 CO -0.03 0.64 -0.80 0.25 -0.87 0.00 0.00 176.83 176.02 2df0 h LEU 22 N 0.36 0.00 -0.74 5.97 5.85 -1.38 0.26 115.31 125.62 2df0 h LEU 22 Ca 0.06 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 2df0 h LEU 22 Cb 0.61 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2df0 h LEU 22 CO 0.04 0.80 -0.29 -0.09 -0.34 0.00 0.00 178.44 178.57 2df0 h ARG 23 N 0.00 0.64 -0.09 1.25 9.65 -0.24 0.48 114.38 126.06 2df0 h ARG 23 Ca -0.01 -0.27 -0.17 0.00 -1.10 0.00 0.00 59.98 58.43 2df0 h ARG 23 Cb 1.46 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 30.01 2df0 h ARG 23 CO 0.10 0.86 -0.65 1.25 2.80 0.00 0.00 179.97 184.33 2df0 h HIS 24 N 0.55 0.48 -0.78 2.20 2.76 -0.22 0.37 115.15 120.51 2df0 h HIS 24 Ca 0.07 -0.20 -0.05 0.00 -2.20 0.00 0.00 60.37 57.99 2df0 h HIS 24 Cb 0.77 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.62 2df0 h HIS 24 CO 0.03 0.91 0.29 -0.92 -1.30 0.00 0.00 177.93 176.95 2df0 h TYR 25 N 0.26 1.20 0.80 5.26 3.20 -0.27 0.35 116.97 127.78 2df0 h TYR 25 Ca -0.01 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 61.72 2df0 h TYR 25 Cb 1.20 -0.36 0.01 0.00 1.54 0.00 0.00 36.73 39.12 2df0 h TYR 25 CO 0.04 0.92 -0.39 1.25 -1.64 0.00 0.00 178.16 178.34 2df0 h LEU 26 N 1.14 -0.91 -1.13 2.82 5.85 0.37 0.31 115.31 123.76 2df0 h LEU 26 Ca 0.26 0.02 0.42 0.00 0.84 0.00 0.00 57.88 59.41 2df0 h LEU 26 Cb 0.24 0.24 -0.16 0.00 0.37 0.00 0.00 40.66 41.35 2df0 h LEU 26 CO -0.02 -0.61 0.65 -1.13 -0.34 0.00 0.00 178.44 177.00 2df0 h ASN 27 N -1.16 0.32 0.29 1.25 -0.73 -0.19 -1.17 115.58 114.19 2df0 h ASN 27 Ca -0.11 0.21 -0.01 0.00 1.87 0.00 0.00 56.30 58.26 2df0 h ASN 27 Cb 0.84 0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.64 2df0 h ASN 27 CO 0.18 -0.32 -0.14 0.25 -0.37 0.00 0.00 177.43 177.03 2df0 h LEU 28 N 0.06 -0.33 -1.33 0.34 5.85 -0.34 -3.33 115.31 116.23 2df0 h LEU 28 Ca 0.83 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.46 2df0 h LEU 28 Cb 2.31 0.09 0.00 0.00 0.37 0.00 0.00 40.66 43.43 2df0 h LEU 28 CO -0.64 0.15 0.25 -0.37 -0.34 0.00 0.00 178.44 177.49 2df0 h VAL 29 N -1.05 0.00 -0.17 1.05 -1.51 0.83 1.13 116.25 116.53 2df0 h VAL 29 Ca -0.04 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.48 2df0 h VAL 29 Cb 0.40 0.44 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 2df0 h VAL 29 CO 0.07 0.00 0.41 0.71 -1.23 0.00 0.00 177.57 177.52 2df0 h THR 30 N 0.00 0.15 -0.07 7.19 1.35 -1.53 -1.57 112.91 118.42 2df0 h THR 30 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.88 2df0 h THR 30 Cb 0.50 0.63 -0.04 0.00 -1.73 0.00 0.00 68.15 67.52 2df0 h THR 30 CO 0.00 0.00 -0.35 0.03 -0.25 0.00 0.00 175.52 174.95 2df0 h ARG 31 N 0.00 -0.37 0.13 4.72 3.08 0.11 -3.23 114.38 118.81 2df0 h ARG 31 Ca 0.08 0.03 -0.33 0.00 0.07 0.00 0.00 59.98 59.83 2df0 h ARG 31 Cb 0.89 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 2df0 h ARG 31 CO -0.00 -0.25 -1.72 -0.56 -1.07 0.00 0.00 179.97 176.37 2df0 h GLN 32 N -0.39 0.26 0.00 0.04 -0.00 -1.79 -3.48 115.11 109.77 2df0 h GLN 32 Ca 0.02 -0.45 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 2df0 h GLN 32 Cb 0.44 0.17 0.00 0.00 -0.00 0.00 0.00 27.48 28.09 2df0 h GLN 32 CO -0.27 1.22 0.00 -2.13 -0.00 0.00 0.00 178.83 177.65 2df0 n ARG 33 N -3.71 0.00 0.00 0.06 3.00 -0.60 -5.18 116.66 110.22 2df0 n ARG 33 Ca -0.29 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.71 2df0 n ARG 33 Cb 0.98 -0.02 0.85 0.00 0.00 0.00 0.00 32.46 34.26 2df0 n ARG 33 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11