#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 s LYS 2 N 0.00 2.79 0.00 3.17 2.20 0.18 -4.90 119.74 123.18 3df4 s LYS 2 Ca 0.00 0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 3df4 s LYS 2 Cb 0.00 -2.15 0.00 0.00 -1.51 0.00 0.00 37.83 34.17 3df4 s LYS 2 CO 0.00 -0.91 0.00 1.33 -0.36 0.00 0.00 175.35 175.41 3df4 n VAL 3 N -2.81 0.00 -1.15 4.02 0.24 -1.26 -1.13 118.33 116.24 3df4 n VAL 3 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 3df4 n VAL 3 Cb 0.58 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 3df4 n VAL 3 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3df4 n ARG 4 N 0.00 -3.22 -0.16 7.34 1.74 -1.26 -4.37 116.66 116.73 3df4 n ARG 4 Ca 0.00 2.43 -0.11 0.00 -0.77 0.00 0.00 57.85 59.40 3df4 n ARG 4 Cb 0.00 -2.83 -0.00 0.00 -1.02 0.00 0.00 32.46 28.60 3df4 n ARG 4 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3df4 h ALA 5 N 0.83 0.66 -1.85 7.54 0.00 -1.94 -3.33 119.26 121.16 3df4 h ALA 5 Ca 0.00 -0.36 -0.75 0.00 0.00 0.00 0.00 54.91 53.80 3df4 h ALA 5 Cb 0.24 -0.17 -0.20 0.00 0.00 0.00 0.00 17.79 17.67 3df4 h ALA 5 CO 0.00 0.59 1.18 0.45 0.00 0.00 0.00 179.25 181.48 3df4 s SER 6 N -6.60 7.12 0.13 0.00 0.15 -1.26 -4.40 113.70 108.83 3df4 s SER 6 Ca -0.12 -3.10 -0.26 0.00 0.70 0.00 0.00 55.95 53.17 3df4 s SER 6 Cb 0.12 -2.37 -0.04 0.00 -1.71 0.00 0.00 66.02 62.02 3df4 s SER 6 CO 0.85 -0.66 1.62 1.62 1.20 0.00 0.00 173.24 177.87 3df4 h VAL 7 N 4.48 0.36 -1.58 4.45 3.04 -1.76 -3.47 116.25 121.77 3df4 h VAL 7 Ca 0.29 0.00 0.14 0.00 -1.01 0.00 0.00 66.70 66.12 3df4 h VAL 7 Cb 0.87 0.36 -0.04 0.00 -2.01 0.00 0.00 31.29 30.47 3df4 h VAL 7 CO 1.20 0.00 -0.19 1.17 -1.01 0.00 0.00 177.57 178.74 3df4 n LYS 8 N -5.39 -1.07 -0.94 4.17 4.81 -1.26 -4.97 118.16 113.51 3df4 n LYS 8 Ca -0.04 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 3df4 n LYS 8 Cb 0.31 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 34.05 3df4 n LYS 8 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 3df4 n LYS 9 N -2.09 2.61 0.00 1.64 -0.00 -1.26 -4.89 118.16 114.17 3df4 n LYS 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3df4 n LYS 9 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.27 3df4 n LYS 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3df4 n LEU 10 N 0.00 0.00 0.00 -5.58 4.32 -1.26 -5.13 117.00 109.35 3df4 n LEU 10 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3df4 n LEU 10 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3df4 n LEU 10 CO 0.00 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.17 3df4 h ARG 12 N 0.00 0.00 -0.95 0.00 0.11 -2.01 -3.18 114.38 108.35 3df4 h ARG 12 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 3df4 h ARG 12 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 3df4 h ARG 12 CO 0.00 0.06 0.03 0.09 0.10 0.00 0.00 179.97 180.25 3df4 n ASN 13 N -3.13 2.18 -4.44 0.08 3.02 -1.26 -4.77 115.26 106.94 3df4 n ASN 13 Ca 0.03 -2.19 -0.36 0.00 -0.03 0.00 0.00 54.58 52.02 3df4 n ASN 13 Cb 0.49 -0.54 -0.13 0.00 -0.61 0.00 0.00 39.78 38.99 3df4 n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3df4 n LYS 15 N 4.90 1.52 -2.01 0.00 3.00 -1.21 -4.93 118.16 119.44 3df4 n LYS 15 Ca -0.16 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.31 58.10 3df4 n LYS 15 Cb 0.51 -1.17 0.00 0.00 0.00 0.00 0.00 35.03 34.38 3df4 n LYS 15 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3df4 n ILE 16 N -1.99 -5.95 -3.42 3.15 5.41 -1.26 -4.98 119.36 110.32 3df4 n ILE 16 Ca -0.06 0.63 -0.33 0.00 1.00 0.00 0.00 62.75 63.99 3df4 n ILE 16 Cb 0.44 -5.24 -0.05 0.00 -0.71 0.00 0.00 39.64 34.08 3df4 n ILE 16 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3df4 s VAL 17 N -0.97 4.93 -0.20 1.39 1.01 -0.94 -4.87 120.40 120.74 3df4 s VAL 17 Ca 0.03 0.57 -0.00 0.00 0.00 0.00 0.00 61.98 62.58 3df4 s VAL 17 Cb -0.01 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.73 3df4 s VAL 17 CO 0.32 0.06 -0.14 -0.75 0.00 0.00 0.00 175.10 174.59 3df4 s LYS 18 N -2.46 2.99 -0.05 2.72 2.20 -1.26 0.49 119.74 124.38 3df4 s LYS 18 Ca 0.43 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 3df4 s LYS 18 Cb -0.13 -2.74 0.02 0.00 -1.51 0.00 0.00 37.83 33.48 3df4 s LYS 18 CO 0.20 -0.26 -0.03 1.03 -0.36 0.00 0.00 175.35 175.94 3df4 s ARG 19 N 1.32 0.72 -1.11 4.03 0.52 -1.16 -4.73 118.95 118.54 3df4 s ARG 19 Ca 0.04 -0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.21 3df4 s ARG 19 Cb -0.14 -0.84 0.00 0.00 0.52 0.00 0.00 34.95 34.49 3df4 s ARG 19 CO -0.09 -0.15 0.00 -0.25 0.02 0.00 0.00 175.30 174.83 3df4 n ASP 20 N 4.34 -5.56 0.00 0.23 8.00 -1.26 0.16 116.55 122.47 3df4 n ASP 20 Ca -0.20 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.55 3df4 n ASP 20 Cb 0.51 -3.98 0.00 0.00 -0.02 0.00 0.00 41.12 37.63 3df4 n ASP 20 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3df4 n GLY 21 N 0.03 1.51 3.56 0.44 0.00 -1.26 -4.99 105.19 104.47 3df4 n GLY 21 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 3df4 n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df4 s VAL 22 N -2.32 3.48 -0.92 1.61 1.01 0.12 -4.88 120.40 118.50 3df4 s VAL 22 Ca 0.00 -0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.46 3df4 s VAL 22 Cb 0.00 -4.11 -0.16 0.00 0.00 0.00 0.00 36.38 32.10 3df4 s VAL 22 CO 0.00 -1.06 2.25 -0.63 0.00 0.00 0.00 175.10 175.67 3df4 s ILE 23 N 9.27 3.06 0.35 2.22 1.01 -1.26 -2.98 121.20 132.88 3df4 s ILE 23 Ca 0.66 -0.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.21 3df4 s ILE 23 Cb -0.07 -3.50 0.07 0.00 0.01 0.00 0.00 42.46 38.97 3df4 s ILE 23 CO 0.03 -0.13 0.48 0.54 0.00 0.00 0.00 174.94 175.86 3df4 n ARG 24 N 8.56 0.03 -3.67 2.79 1.74 0.18 -3.93 116.66 122.36 3df4 n ARG 24 Ca 0.44 -1.09 -0.10 0.00 -0.77 0.00 0.00 57.85 56.33 3df4 n ARG 24 Cb 0.45 -0.38 -0.11 0.00 -1.02 0.00 0.00 32.46 31.40 3df4 n ARG 24 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3df4 s VAL 25 N -1.53 -0.44 0.14 1.55 1.01 -1.24 -2.22 120.40 117.66 3df4 s VAL 25 Ca 0.30 0.19 0.09 0.00 0.00 0.00 0.00 61.98 62.56 3df4 s VAL 25 Cb -0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 3df4 s VAL 25 CO 0.20 0.08 -0.16 -0.63 0.00 0.00 0.00 175.10 174.59 3df4 s ILE 26 N 2.28 2.92 -0.03 2.22 -1.09 -1.26 -2.82 121.20 123.42 3df4 s ILE 26 Ca -0.03 -1.59 0.01 0.00 -2.23 0.00 0.00 60.65 56.81 3df4 s ILE 26 Cb -0.11 -2.38 0.02 0.00 -1.58 0.00 0.00 42.46 38.41 3df4 s ILE 26 CO -0.11 0.02 -0.01 0.00 -1.23 0.00 0.00 174.94 173.61 3df4 n SER 28 N 3.96 0.46 0.00 0.00 7.64 -1.19 -4.53 113.62 119.96 3df4 n SER 28 Ca -0.25 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 58.71 3df4 n SER 28 Cb 0.51 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 3df4 n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3df4 n ALA 29 N -0.76 0.05 -2.77 -0.43 0.00 -1.26 -5.03 120.51 110.30 3df4 n ALA 29 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.27 3df4 n ALA 29 Cb 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 3df4 n ALA 29 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3df4 s GLU 30 N 0.17 3.92 0.51 0.00 2.02 -1.26 -4.98 118.70 119.08 3df4 s GLU 30 Ca 0.00 -0.13 0.26 0.00 0.02 0.00 0.00 54.97 55.11 3df4 s GLU 30 Cb 0.00 -3.33 1.39 0.00 0.10 0.00 0.00 34.13 32.28 3df4 s GLU 30 CO 0.00 0.48 2.06 -1.35 0.02 0.00 0.00 175.26 176.47 3df4 h PRO 31 N 6.00 0.00 0.00 0.39 0.11 -1.96 -2.31 132.00 134.23 3df4 h PRO 31 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3df4 h PRO 31 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3df4 h PRO 31 CO 0.69 0.13 0.06 1.63 -0.21 0.00 0.00 178.00 180.30 3df4 n LYS 32 N -3.73 0.10 0.06 1.05 5.02 -1.26 0.10 118.16 119.51 3df4 n LYS 32 Ca -0.02 0.59 -0.02 0.00 -2.02 0.00 0.00 58.31 56.84 3df4 n LYS 32 Cb 0.24 -1.90 -0.07 0.00 -0.02 0.00 0.00 35.03 33.28 3df4 n LYS 32 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3df4 h HIS 33 N 0.00 0.00 -1.35 2.13 3.86 -1.81 -3.46 115.15 114.53 3df4 h HIS 33 Ca 0.00 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.71 3df4 h HIS 33 Cb 0.12 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 3df4 h HIS 33 CO 0.00 0.70 1.63 1.17 0.86 0.00 0.00 177.93 182.29 3df4 n LYS 34 N -3.11 0.96 -2.94 2.45 4.81 0.11 -4.83 118.16 115.62 3df4 n LYS 34 Ca -0.05 0.07 -0.17 0.00 -0.87 0.00 0.00 58.31 57.28 3df4 n LYS 34 Cb 0.86 -3.05 0.01 0.00 0.02 0.00 0.00 35.03 32.88 3df4 n LYS 34 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3df4 n GLN 35 N 8.84 0.86 0.00 1.64 6.02 -1.13 -0.64 117.38 132.97 3df4 n GLN 35 Ca 0.41 -2.37 0.00 0.00 -0.01 0.00 0.00 57.00 55.03 3df4 n GLN 35 Cb 0.43 0.14 0.00 0.00 1.02 0.00 0.00 30.24 31.83 3df4 n GLN 35 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3df4 n ARG 36 N -1.55 0.00 -1.11 -1.09 0.00 -0.28 -3.71 116.66 108.93 3df4 n ARG 36 Ca 0.02 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.51 3df4 n ARG 36 Cb 0.44 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.95 3df4 n ARG 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3df4 n GLN 37 N 0.00 0.05 0.00 -0.14 0.00 -1.26 -3.66 117.38 112.36 3df4 n GLN 37 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 57.00 57.04 3df4 n GLN 37 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 30.24 28.88 3df4 n GLN 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47