#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df3 s LYS 4 N 0.00 3.74 -0.24 0.38 -2.85 -1.26 -5.01 119.74 114.50 3df3 s LYS 4 Ca 0.00 0.18 -0.07 0.00 -1.00 0.00 0.00 55.97 55.08 3df3 s LYS 4 Cb 0.00 -3.15 0.11 0.00 -2.06 0.00 0.00 37.83 32.73 3df3 s LYS 4 CO 0.00 0.68 0.50 0.08 0.10 0.00 0.00 175.35 176.71 3df3 s VAL 5 N -1.17 -0.78 -0.06 1.79 1.01 -1.26 -5.05 120.40 114.89 3df3 s VAL 5 Ca 0.24 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.33 3df3 s VAL 5 Cb -0.15 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.46 3df3 s VAL 5 CO 0.13 0.04 -0.05 -0.60 0.00 0.00 0.00 175.10 174.61 3df3 s ARG 6 N 2.71 1.01 0.07 2.72 3.52 -1.26 -5.15 118.95 122.58 3df3 s ARG 6 Ca -0.02 -0.14 0.05 0.00 -0.13 0.00 0.00 55.73 55.50 3df3 s ARG 6 Cb -0.12 -1.03 -0.04 0.00 -1.56 0.00 0.00 34.95 32.20 3df3 s ARG 6 CO -0.15 -0.12 -0.06 -1.21 -0.81 0.00 0.00 175.30 172.95 3df3 s GLU 7 N 1.11 2.37 -0.10 5.12 0.41 -1.26 -5.12 118.70 121.23 3df3 s GLU 7 Ca -0.08 -0.88 -0.06 0.00 -0.41 0.00 0.00 54.97 53.54 3df3 s GLU 7 Cb -0.14 -2.43 -0.04 0.00 -1.78 0.00 0.00 34.13 29.74 3df3 s GLU 7 CO -0.01 0.54 0.14 1.21 -0.49 0.00 0.00 175.26 176.66 3df3 s ASN 8 N -2.03 6.35 0.04 -0.19 2.47 -1.26 -4.86 114.94 115.47 3df3 s ASN 8 Ca 0.22 0.44 0.00 0.00 0.42 0.00 0.00 52.86 53.94 3df3 s ASN 8 Cb -0.11 -2.04 0.00 0.00 -1.45 0.00 0.00 41.25 37.65 3df3 s ASN 8 CO 0.13 0.38 0.00 1.21 -3.72 0.00 0.00 177.10 175.11 3df3 n GLU 9 N 1.81 -1.86 -1.84 0.43 4.07 -1.26 -4.80 120.64 117.19 3df3 n GLU 9 Ca -0.18 1.66 -0.31 0.00 -0.06 0.00 0.00 57.16 58.27 3df3 n GLU 9 Cb 0.55 -1.72 -0.04 0.00 -0.06 0.00 0.00 31.44 30.17 3df3 n GLU 9 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3df3 s PRO 10 N -1.85 2.30 0.00 5.31 0.04 -1.26 -4.63 135.00 134.91 3df3 s PRO 10 Ca 0.00 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.64 3df3 s PRO 10 Cb 0.00 -4.65 0.00 0.00 0.04 0.00 0.00 34.50 29.89 3df3 s PRO 10 CO 0.00 -3.30 0.14 1.97 0.04 0.00 0.00 177.00 175.85 3df3 n PHE 11 N 14.83 0.00 -2.99 0.56 1.16 -1.26 -5.07 117.46 124.68 3df3 n PHE 11 Ca 0.33 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.86 3df3 n PHE 11 Cb 0.50 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.38 3df3 n PHE 11 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 3df3 n ASP 12 N -0.60 -7.77 -3.87 5.98 9.92 -1.26 -5.04 116.55 113.91 3df3 n ASP 12 Ca 0.00 0.18 -0.28 0.00 -0.53 0.00 0.00 54.79 54.16 3df3 n ASP 12 Cb 0.01 -5.21 -0.17 0.00 -0.64 0.00 0.00 41.12 35.12 3df3 n ASP 12 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3df3 s VAL 13 N -2.80 1.02 0.18 2.53 0.11 -1.26 -5.04 120.40 115.13 3df3 s VAL 13 Ca 0.12 -0.57 -0.13 0.00 -2.93 0.00 0.00 61.98 58.46 3df3 s VAL 13 Cb -0.03 -1.21 0.08 0.00 -1.53 0.00 0.00 36.38 33.69 3df3 s VAL 13 CO 0.76 0.12 1.85 0.00 -3.33 0.00 0.00 175.10 174.50 3df3 h ALA 14 N 8.14 0.73 -6.10 1.54 0.00 -2.03 -3.47 119.26 118.07 3df3 h ALA 14 Ca -0.23 -0.04 -0.44 0.00 0.00 0.00 0.00 54.91 54.20 3df3 h ALA 14 Cb 1.11 -0.23 0.04 0.00 0.00 0.00 0.00 17.79 18.71 3df3 h ALA 14 CO 0.39 0.16 -0.74 1.28 0.00 0.00 0.00 179.25 180.34 3df3 n LEU 15 N -4.69 -2.97 0.00 0.00 7.99 -1.26 -4.78 117.00 111.30 3df3 n LEU 15 Ca 0.04 -0.69 0.02 0.00 -0.01 0.00 0.00 56.01 55.36 3df3 n LEU 15 Cb 0.02 -2.76 0.12 0.00 -0.11 0.00 0.00 43.42 40.69 3df3 n LEU 15 CO 0.35 0.53 0.31 -1.14 -1.51 0.00 0.00 177.39 175.92 3df3 n ARG 16 N -4.74 0.23 0.34 3.23 3.00 -1.26 -3.41 116.66 114.05 3df3 n ARG 16 Ca -0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.68 3df3 n ARG 16 Cb 0.56 -1.29 -0.08 0.00 0.00 0.00 0.00 32.46 31.66 3df3 n ARG 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3df3 h ARG 17 N 0.00 -0.90 0.00 -0.14 2.47 -1.99 -2.35 114.38 111.47 3df3 h ARG 17 Ca 0.00 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3df3 h ARG 17 Cb 0.00 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 3df3 h ARG 17 CO 0.00 -0.60 0.56 0.74 0.56 0.00 0.00 179.97 181.22 3df3 h PHE 18 N -0.94 0.00 0.00 3.04 0.04 -1.95 0.56 116.94 117.68 3df3 h PHE 18 Ca -0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.68 3df3 h PHE 18 Cb 0.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.90 3df3 h PHE 18 CO -0.04 0.00 -0.05 0.87 -0.60 0.00 0.00 178.31 178.50 3df3 h LYS 19 N 0.00 0.00 0.00 1.51 6.56 -1.67 -3.37 116.57 119.60 3df3 h LYS 19 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3df3 h LYS 19 Cb 1.11 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 3df3 h LYS 19 CO 0.00 0.00 0.00 0.54 -2.06 0.00 0.00 179.45 177.93 3df3 n ARG 20 N -4.45 0.08 0.00 3.15 3.00 -0.65 -2.56 116.66 115.23 3df3 n ARG 20 Ca -0.01 0.16 0.02 0.00 -0.01 0.00 0.00 57.85 58.02 3df3 n ARG 20 Cb 0.03 -1.61 0.13 0.00 0.00 0.00 0.00 32.46 31.01 3df3 n ARG 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3df3 n SER 21 N -1.76 0.00 0.00 0.55 3.41 0.19 -4.56 113.62 111.45 3df3 n SER 21 Ca 0.05 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.92 3df3 n SER 21 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3df3 n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3df3 n GLU 23 N -1.11 1.26 0.00 0.00 -0.58 -1.06 -4.72 120.64 114.43 3df3 n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3df3 n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3df3 n GLU 23 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3df3 n LYS 24 N 0.00 0.00 0.00 3.49 0.00 -1.25 -4.66 118.16 115.74 3df3 n LYS 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3df3 n LYS 24 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3df3 n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3df3 n ALA 25 N 11.66 0.00 -0.83 3.14 0.00 -1.26 -3.43 120.51 129.80 3df3 n ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df3 n ALA 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3df3 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df3 n GLY 26 N 1.25 0.22 0.00 0.00 0.00 -1.26 -2.12 105.19 103.28 3df3 n GLY 26 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 3df3 n GLY 26 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3df3 n VAL 27 N 0.00 1.16 0.00 1.61 0.24 -1.26 -0.38 118.33 119.70 3df3 n VAL 27 Ca 0.00 0.34 -0.02 0.00 -2.04 0.00 0.00 64.34 62.61 3df3 n VAL 27 Cb 0.00 -1.34 -0.01 0.00 -1.47 0.00 0.00 33.84 31.02 3df3 n VAL 27 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3df3 n LEU 28 N -1.27 1.05 -0.22 1.34 0.00 -0.90 -4.35 117.00 112.64 3df3 n LEU 28 Ca 0.00 0.15 0.29 0.00 0.00 0.00 0.00 56.01 56.45 3df3 n LEU 28 Cb 0.05 -0.40 0.69 0.00 0.00 0.00 0.00 43.42 43.76 3df3 n LEU 28 CO 0.00 -0.57 1.27 0.00 0.00 0.00 0.00 177.39 178.09 3df3 h ALA 29 N -0.43 2.80 -0.43 1.96 0.00 -1.72 0.65 119.26 122.09 3df3 h ALA 29 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3df3 h ALA 29 Cb 0.25 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3df3 h ALA 29 CO 0.00 -1.08 -0.24 1.49 0.00 0.00 0.00 179.25 179.42 3df3 h GLU 30 N 0.07 0.92 -0.01 0.00 4.81 -0.98 -3.13 114.58 116.26 3df3 h GLU 30 Ca 0.47 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3df3 h GLU 30 Cb 1.75 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.11 3df3 h GLU 30 CO -0.04 1.07 -0.38 0.28 -0.73 0.00 0.00 179.01 179.20 3df3 n VAL 31 N -4.16 0.00 -0.30 0.32 0.31 0.14 -4.27 118.33 110.37 3df3 n VAL 31 Ca -0.01 -0.11 0.13 0.00 -0.01 0.00 0.00 64.34 64.34 3df3 n VAL 31 Cb 0.46 0.51 0.37 0.00 -0.91 0.00 0.00 33.84 34.27 3df3 n VAL 31 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3df3 h ARG 32 N 1.02 0.68 -5.61 5.55 1.12 0.10 -3.43 114.38 113.82 3df3 h ARG 32 Ca 0.00 -0.04 -0.58 0.00 -1.11 0.00 0.00 59.98 58.25 3df3 h ARG 32 Cb 0.54 -0.15 -0.13 0.00 -0.01 0.00 0.00 29.97 30.21 3df3 h ARG 32 CO 0.00 0.45 -0.62 0.50 -3.11 0.00 0.00 179.97 177.19 3df3 s ARG 33 N -5.72 1.83 0.27 0.20 3.52 -1.26 -5.10 118.95 112.70 3df3 s ARG 33 Ca -0.10 -2.01 -0.13 0.00 -0.13 0.00 0.00 55.73 53.36 3df3 s ARG 33 Cb 0.23 -1.45 -0.10 0.00 -1.56 0.00 0.00 34.95 32.07 3df3 s ARG 33 CO 0.79 -0.03 0.02 2.89 -0.81 0.00 0.00 175.30 178.16 3df3 n ARG 34 N -0.84 0.00 0.00 5.12 -4.01 -1.26 -4.93 116.66 110.73 3df3 n ARG 34 Ca -0.05 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.76 3df3 n ARG 34 Cb 0.66 -0.64 0.00 0.00 -3.04 0.00 0.00 32.46 29.44 3df3 n ARG 34 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 3df3 n GLU 35 N 0.88 -0.32 -0.05 2.89 -0.58 -1.26 -4.98 120.64 117.22 3df3 n GLU 35 Ca 0.07 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.71 3df3 n GLU 35 Cb 0.27 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.09 3df3 n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3df3 n PHE 36 N -1.91 0.00 0.00 -0.32 0.99 -1.26 -4.99 117.46 109.97 3df3 n PHE 36 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3df3 n PHE 36 Cb 0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 39.48 38.09 3df3 n PHE 36 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3df3 n TYR 37 N -3.18 0.00 -0.07 1.38 4.02 -1.26 -3.15 117.16 114.91 3df3 n TYR 37 Ca -0.20 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.58 3df3 n TYR 37 Cb 0.67 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.93 3df3 n TYR 37 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3df3 n GLU 38 N 0.00 0.32 -0.33 -0.72 4.07 -1.26 -4.67 120.64 118.06 3df3 n GLU 38 Ca 0.00 0.09 0.33 0.00 -0.06 0.00 0.00 57.16 57.52 3df3 n GLU 38 Cb 0.00 -1.19 0.70 0.00 -0.06 0.00 0.00 31.44 30.89 3df3 n GLU 38 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3df3 h LYS 39 N -0.15 0.08 0.28 5.31 6.56 -1.95 -2.67 116.57 124.03 3df3 h LYS 39 Ca -0.32 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.26 3df3 h LYS 39 Cb 1.42 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 33.07 3df3 h LYS 39 CO -0.10 0.05 -0.13 -1.00 -2.06 0.00 0.00 179.45 176.21 3df3 h PRO 40 N 0.08 -0.36 0.00 3.15 0.13 -1.85 0.59 132.00 133.74 3df3 h PRO 40 Ca 0.58 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.73 3df3 h PRO 40 Cb 2.14 0.08 0.00 0.00 0.13 0.00 0.00 31.00 33.35 3df3 h PRO 40 CO -0.07 -0.01 0.00 0.25 -0.23 0.00 0.00 178.00 177.94 3df3 n THR 41 N -5.07 0.23 0.00 1.56 -2.24 -1.01 -2.47 114.28 105.28 3df3 n THR 41 Ca -0.09 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3df3 n THR 41 Cb 0.26 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 3df3 n THR 41 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3df3 n THR 42 N -1.06 0.00 -0.35 4.28 -2.24 -1.15 -4.69 114.28 109.08 3df3 n THR 42 Ca 0.01 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.85 3df3 n THR 42 Cb 0.01 -0.04 0.15 0.00 -2.10 0.00 0.00 70.33 68.34 3df3 n THR 42 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3df3 h GLU 43 N 0.00 0.00 -0.23 -0.78 4.57 -0.21 1.17 114.58 119.11 3df3 h GLU 43 Ca 0.00 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 3df3 h GLU 43 Cb 0.00 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3df3 h GLU 43 CO 0.00 0.00 -0.21 0.00 -1.18 0.00 0.00 179.01 177.62 3df3 h ARG 44 N 0.00 0.42 -0.55 1.92 -0.00 -0.38 -2.45 114.38 113.34 3df3 h ARG 44 Ca 0.48 -0.14 0.00 0.00 -0.50 0.00 0.00 59.98 59.82 3df3 h ARG 44 Cb 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.69 3df3 h ARG 44 CO -1.00 0.61 0.00 1.63 0.00 0.00 0.00 179.97 181.21 3df3 n LYS 45 N -4.16 1.91 -0.03 0.04 5.02 0.39 -3.11 118.16 118.21 3df3 n LYS 45 Ca -0.00 -0.94 0.08 0.00 -2.02 0.00 0.00 58.31 55.43 3df3 n LYS 45 Cb 0.36 -1.46 0.09 0.00 -0.02 0.00 0.00 35.03 34.00 3df3 n LYS 45 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3df3 n ARG 46 N 0.20 1.50 0.06 1.97 1.74 -0.22 -4.37 116.66 117.55 3df3 n ARG 46 Ca 0.09 -1.60 -0.03 0.00 -0.77 0.00 0.00 57.85 55.54 3df3 n ARG 46 Cb 0.38 -1.33 0.22 0.00 -1.02 0.00 0.00 32.46 30.71 3df3 n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3df3 h ALA 47 N 3.24 1.13 0.00 7.54 0.00 -1.67 -2.17 119.26 127.32 3df3 h ALA 47 Ca 0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3df3 h ALA 47 Cb 0.71 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3df3 h ALA 47 CO 0.00 0.56 -0.30 1.57 0.00 0.00 0.00 179.25 181.07 3df3 h LYS 48 N 0.32 0.00 0.00 0.00 2.10 -1.84 0.36 116.57 117.51 3df3 h LYS 48 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3df3 h LYS 48 Cb 0.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 3df3 h LYS 48 CO 0.05 0.30 0.04 0.00 -2.00 0.00 0.00 179.45 177.85 3df3 n ALA 49 N -2.43 0.97 -0.03 0.07 0.00 -0.82 0.82 120.51 119.10 3df3 n ALA 49 Ca -0.02 0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.55 3df3 n ALA 49 Cb 0.36 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 3df3 n ALA 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3df3 n SER 50 N -2.13 3.58 -0.01 0.00 2.88 -0.18 -4.65 113.62 113.13 3df3 n SER 50 Ca -0.01 -0.01 -0.08 0.00 -1.33 0.00 0.00 58.87 57.44 3df3 n SER 50 Cb 0.07 0.41 0.09 0.00 -0.75 0.00 0.00 64.21 64.04 3df3 n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3df3 h ALA 51 N 0.19 0.81 -0.01 -1.46 0.00 0.11 -2.72 119.26 116.18 3df3 h ALA 51 Ca -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3df3 h ALA 51 Cb 1.31 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3df3 h ALA 51 CO -0.00 0.66 0.07 -0.24 0.00 0.00 0.00 179.25 179.74 3df3 h VAL 52 N 0.46 0.05 0.00 0.00 3.04 0.16 -3.49 116.25 116.46 3df3 h VAL 52 Ca 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 3df3 h VAL 52 Cb 0.95 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 3df3 h VAL 52 CO 0.08 0.00 0.00 1.17 -1.01 0.00 0.00 177.57 177.81