#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ech s GLU 3 N 0.44 4.22 -0.42 0.00 2.12 -1.26 -4.98 118.70 118.82 2ech s GLU 3 Ca -0.02 1.69 0.02 0.00 0.36 0.00 0.00 54.97 57.01 2ech s GLU 3 Cb -0.04 -3.78 0.13 0.00 0.26 0.00 0.00 34.13 30.70 2ech s GLU 3 CO -0.02 -0.73 0.22 -1.12 -0.54 0.00 0.00 175.26 173.07 2ech s SER 4 N 2.10 3.61 -0.29 -1.70 0.01 -1.26 -4.58 113.70 111.59 2ech s SER 4 Ca 0.56 -2.48 -0.10 0.00 1.31 0.00 0.00 55.95 55.24 2ech s SER 4 Cb -0.22 -0.95 -0.03 0.00 0.21 0.00 0.00 66.02 65.03 2ech s SER 4 CO 0.16 -0.29 0.16 -0.83 0.41 0.00 0.00 173.24 172.85 2ech s GLY 5 N 0.56 1.88 0.11 3.44 0.00 -1.25 -4.92 107.32 107.14 2ech s GLY 5 Ca 0.17 -1.19 0.04 0.00 0.00 0.00 0.00 44.72 43.74 2ech s GLY 5 CO -0.02 0.65 0.92 -1.05 0.00 0.00 0.00 173.10 173.60 2ech n PRO 6 N 5.02 0.03 0.03 2.90 -0.02 -1.26 0.26 135.00 141.95 2ech n PRO 6 Ca -0.14 0.36 -0.12 0.00 -2.02 0.00 0.00 63.50 61.58 2ech n PRO 6 Cb 0.51 -1.87 -0.07 0.00 -0.02 0.00 0.00 33.50 32.04 2ech n PRO 6 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ech n ARG 9 N 8.79 0.00 -0.95 0.00 3.00 -0.28 -1.83 116.66 125.40 2ech n ARG 9 Ca 0.29 0.05 0.03 0.00 -0.01 0.00 0.00 57.85 58.20 2ech n ARG 9 Cb 0.49 -0.07 0.04 0.00 0.00 0.00 0.00 32.46 32.91 2ech n ARG 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2ech n ASN 10 N -1.62 0.79 0.00 0.55 5.15 -1.26 -4.55 115.26 114.32 2ech n ASN 10 Ca 0.00 -2.24 0.00 0.00 -0.60 0.00 0.00 54.58 51.74 2ech n ASN 10 Cb 0.00 -0.29 0.00 0.00 -0.53 0.00 0.00 39.78 38.96 2ech n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ech s LYS 12 N 0.00 3.34 -0.61 0.00 -0.14 -1.26 -4.84 119.74 116.23 2ech s LYS 12 Ca 0.00 -0.24 -0.39 0.00 -1.36 0.00 0.00 55.97 53.98 2ech s LYS 12 Cb 0.00 -4.05 -0.18 0.00 -1.68 0.00 0.00 37.83 31.91 2ech s LYS 12 CO 0.00 -1.50 2.31 1.19 -0.76 0.00 0.00 175.35 176.59 2ech n PHE 13 N 7.52 1.07 0.00 3.18 3.01 -1.26 -1.12 117.46 129.85 2ech n PHE 13 Ca 0.02 0.58 0.00 0.00 1.01 0.00 0.00 57.45 59.06 2ech n PHE 13 Cb 0.48 -2.36 0.00 0.00 -0.01 0.00 0.00 39.48 37.59 2ech n PHE 13 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 2ech n LEU 14 N 8.90 0.00 -4.58 4.37 -0.00 -1.26 -4.80 117.00 119.63 2ech n LEU 14 Ca 0.56 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 56.28 2ech n LEU 14 Cb 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.39 2ech n LEU 14 CO 0.87 -0.18 1.49 -0.54 -0.00 0.00 0.00 177.39 179.04 2ech s LYS 15 N 0.00 2.50 -0.08 1.47 3.01 -1.26 -4.44 119.74 120.94 2ech s LYS 15 Ca 0.00 -1.11 -0.07 0.00 -1.01 0.00 0.00 55.97 53.78 2ech s LYS 15 Cb 0.00 -5.23 -0.03 0.00 -1.01 0.00 0.00 37.83 31.56 2ech s LYS 15 CO 0.00 -3.93 0.33 -1.91 0.51 0.00 0.00 175.35 170.35 2ech n GLU 16 N 8.33 0.00 -0.38 1.68 2.13 -1.26 -3.20 120.64 127.94 2ech n GLU 16 Ca 0.44 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.26 2ech n GLU 16 Cb 0.47 -0.24 0.00 0.00 0.27 0.00 0.00 31.44 31.93 2ech n GLU 16 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ech n GLY 17 N 1.11 0.51 3.00 8.31 0.00 -1.07 -4.90 105.19 112.15 2ech n GLY 17 Ca 0.08 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2ech n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ech s THR 18 N -1.41 1.46 0.11 2.61 2.01 -1.20 -4.97 115.64 114.26 2ech s THR 18 Ca 0.00 -0.57 -0.33 0.00 0.31 0.00 0.00 61.69 61.11 2ech s THR 18 Cb 0.00 -1.38 -0.12 0.00 0.01 0.00 0.00 72.50 71.01 2ech s THR 18 CO 0.00 0.44 1.74 -0.38 -0.69 0.00 0.00 174.62 175.73 2ech n ILE 19 N 4.76 0.23 -0.02 1.82 5.41 -1.26 -1.05 119.36 129.25 2ech n ILE 19 Ca -0.16 -0.04 -0.00 0.00 1.00 0.00 0.00 62.75 63.55 2ech n ILE 19 Cb 0.50 -1.87 -0.00 0.00 -0.71 0.00 0.00 39.64 37.56 2ech n ILE 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ech s LYS 21 N -1.26 3.38 0.07 0.00 2.20 -1.25 -5.01 119.74 117.87 2ech s LYS 21 Ca -0.00 -0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 54.68 2ech s LYS 21 Cb 0.00 -2.99 -0.18 0.00 -1.51 0.00 0.00 37.83 33.15 2ech s LYS 21 CO 0.00 -0.18 1.64 -0.09 -0.36 0.00 0.00 175.35 176.36 2ech h ARG 22 N 8.05 -0.62 -3.37 4.03 9.65 -1.92 -2.95 114.38 127.24 2ech h ARG 22 Ca -0.41 0.04 0.38 0.00 -1.10 0.00 0.00 59.98 58.90 2ech h ARG 22 Cb 1.16 0.14 -0.13 0.00 -1.39 0.00 0.00 29.97 29.75 2ech h ARG 22 CO 0.60 -0.41 -0.80 0.00 2.80 0.00 0.00 179.97 182.17 2ech n ALA 23 N -2.38 -3.82 -2.84 2.80 0.00 -1.26 -0.14 120.51 112.86 2ech n ALA 23 Ca -0.12 0.63 -0.10 0.00 0.00 0.00 0.00 53.44 53.86 2ech n ALA 23 Cb 0.27 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.24 2ech n ALA 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ech s ARG 24 N -2.97 1.34 4.09 0.00 1.81 -1.22 -4.55 118.95 117.44 2ech s ARG 24 Ca 0.00 -1.28 0.00 0.00 -1.72 0.00 0.00 55.73 52.73 2ech s ARG 24 Cb 0.00 0.40 0.00 0.00 -0.45 0.00 0.00 34.95 34.90 2ech s ARG 24 CO 0.00 -0.52 0.00 0.41 -0.68 0.00 0.00 175.30 174.51 2ech n GLY 25 N -0.30 2.07 0.32 -3.53 0.00 -1.26 -4.10 105.19 98.40 2ech n GLY 25 Ca -0.03 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 2ech n GLY 25 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2ech h ASP 26 N 0.00 -0.64 -4.19 1.61 1.82 -2.03 -3.44 116.42 109.54 2ech h ASP 26 Ca 0.00 -0.04 -0.55 0.00 -0.39 0.00 0.00 57.03 56.06 2ech h ASP 26 Cb 0.00 0.17 -0.30 0.00 0.68 0.00 0.00 39.33 39.88 2ech h ASP 26 CO 0.00 -0.27 -0.83 -0.62 -1.61 0.00 0.00 179.24 175.90 2ech s ASP 27 N -4.68 2.06 -0.10 2.28 -1.08 -1.26 -5.14 116.67 108.75 2ech s ASP 27 Ca -0.14 -0.32 -0.03 0.00 -0.52 0.00 0.00 52.55 51.54 2ech s ASP 27 Cb 0.02 -0.33 0.05 0.00 -1.46 0.00 0.00 42.92 41.19 2ech s ASP 27 CO 0.46 0.19 0.10 0.00 0.52 0.00 0.00 175.17 176.44 2ech s MET 28 N -0.27 0.00 0.00 4.34 0.23 -1.26 -3.42 119.30 118.92 2ech s MET 28 Ca 0.04 0.24 0.00 0.00 -1.03 0.00 0.00 55.69 54.94 2ech s MET 28 Cb -0.08 -0.96 0.00 0.00 -1.53 0.00 0.00 34.83 32.26 2ech s MET 28 CO 0.00 -0.46 0.00 -0.25 -2.03 0.00 0.00 175.02 172.28 2ech n ASP 29 N 5.30 -0.37 -3.11 -1.18 8.00 0.80 -5.00 116.55 120.99 2ech n ASP 29 Ca -0.05 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.43 2ech n ASP 29 Cb 0.50 0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 42.05 2ech n ASP 29 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2ech s ASP 30 N -1.03 -1.27 -0.09 -2.24 1.01 -1.11 -4.49 116.67 107.45 2ech s ASP 30 Ca 0.00 -1.13 -0.19 0.00 0.71 0.00 0.00 52.55 51.94 2ech s ASP 30 Cb 0.00 1.81 -0.04 0.00 1.01 0.00 0.00 42.92 45.69 2ech s ASP 30 CO 0.00 -0.15 0.51 -0.31 0.21 0.00 0.00 175.17 175.43 2ech s TYR 31 N 1.53 3.56 -0.26 4.23 1.51 -1.15 -0.75 117.35 126.01 2ech s TYR 31 Ca 0.20 0.97 -0.29 0.00 -1.01 0.00 0.00 57.07 56.94 2ech s TYR 31 Cb -0.04 -2.56 -0.00 0.00 -0.11 0.00 0.00 41.96 39.25 2ech s TYR 31 CO -0.06 0.22 1.30 0.00 -1.11 0.00 0.00 175.55 175.89 2ech n ASN 33 N 7.38 4.83 0.00 0.00 0.23 -1.15 -2.59 115.26 123.95 2ech n ASN 33 Ca 0.15 -3.70 0.00 0.00 -0.53 0.00 0.00 54.58 50.49 2ech n ASN 33 Cb 0.46 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 2ech n ASN 33 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ech n GLY 34 N -0.69 1.92 0.10 4.83 0.00 -1.26 -4.55 105.19 105.53 2ech n GLY 34 Ca 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 2ech n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ech n LYS 35 N 0.00 0.64 -3.98 1.61 4.76 -1.26 -4.81 118.16 115.11 2ech n LYS 35 Ca 0.00 0.10 -0.08 0.00 -2.87 0.00 0.00 58.31 55.46 2ech n LYS 35 Cb 0.00 -1.41 -0.09 0.00 -1.84 0.00 0.00 35.03 31.69 2ech n LYS 35 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2ech s THR 36 N -2.40 0.16 -0.00 -0.18 -1.32 -1.26 -5.07 115.64 105.56 2ech s THR 36 Ca -0.25 -1.34 0.00 0.00 -1.21 0.00 0.00 61.69 58.90 2ech s THR 36 Cb 0.07 -1.10 0.01 0.00 -1.51 0.00 0.00 72.50 69.96 2ech s THR 36 CO 0.50 -0.74 0.95 0.00 -2.21 0.00 0.00 174.62 173.12 2ech n ASP 38 N -0.46 5.84 -3.97 0.00 2.03 -1.26 -3.91 116.55 114.82 2ech n ASP 38 Ca 0.00 -2.82 -0.33 0.00 0.52 0.00 0.00 54.79 52.16 2ech n ASP 38 Cb 0.29 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 2ech n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ech s PRO 40 N -6.71 2.12 1.00 0.00 0.02 -1.25 -4.77 135.00 125.40 2ech s PRO 40 Ca 0.31 1.89 -0.11 0.00 0.02 0.00 0.00 61.00 63.11 2ech s PRO 40 Cb -0.18 -1.82 0.19 0.00 0.02 0.00 0.00 34.50 32.72 2ech s PRO 40 CO 0.69 -1.88 1.09 -0.98 -0.33 0.00 0.00 177.00 175.59 2ech s ARG 41 N -3.77 0.39 -0.39 5.54 1.70 -1.26 -2.93 118.95 118.22 2ech s ARG 41 Ca 0.77 1.10 0.01 0.00 -0.47 0.00 0.00 55.73 57.15 2ech s ARG 41 Cb -0.32 -1.69 0.12 0.00 -0.57 0.00 0.00 34.95 32.49 2ech s ARG 41 CO 0.45 -2.92 0.19 1.21 -1.08 0.00 0.00 175.30 173.15 2ech s ASN 42 N -2.82 3.76 -0.52 -2.89 2.47 -1.26 -4.54 114.94 109.14 2ech s ASN 42 Ca 0.66 -2.28 -0.26 0.00 0.42 0.00 0.00 52.86 51.40 2ech s ASN 42 Cb -0.22 -0.96 -0.08 0.00 -1.45 0.00 0.00 41.25 38.54 2ech s ASN 42 CO 0.60 -0.32 2.42 -2.84 -3.72 0.00 0.00 177.10 173.24 2ech s PRO 43 N 0.80 2.03 0.56 0.43 0.02 -1.26 -4.85 135.00 132.72 2ech s PRO 43 Ca 0.15 1.32 0.31 0.00 0.02 0.00 0.00 61.00 62.80 2ech s PRO 43 Cb -0.22 -4.61 1.46 0.00 0.02 0.00 0.00 34.50 31.15 2ech s PRO 43 CO -0.07 -3.43 1.86 0.45 -0.33 0.00 0.00 177.00 175.48 2ech h HIS 44 N 18.94 0.00 -0.18 6.54 3.86 -1.96 0.08 115.15 142.43 2ech h HIS 44 Ca -0.21 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.02 2ech h HIS 44 Cb 1.24 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.69 2ech h HIS 44 CO 0.98 0.00 0.05 0.87 0.86 0.00 0.00 177.93 180.69 2ech h LYS 45 N 0.00 0.12 -3.25 2.45 6.56 -2.04 -3.35 116.57 117.06 2ech h LYS 45 Ca 0.35 -0.01 -0.65 0.00 -1.06 0.00 0.00 60.65 59.29 2ech h LYS 45 Cb 1.59 -0.03 -0.40 0.00 -0.57 0.00 0.00 32.23 32.83 2ech h LYS 45 CO -0.00 0.08 -0.48 0.20 -2.06 0.00 0.00 179.45 177.19 2ech s GLY 46 N -2.45 2.80 0.00 3.86 0.00 0.01 -4.97 107.32 106.57 2ech s GLY 46 Ca -0.13 -3.65 0.16 0.00 0.00 0.00 0.00 44.72 41.10 2ech s GLY 46 CO 0.68 1.09 1.46 -1.55 0.00 0.00 0.00 173.10 174.78 2ech n PRO 47 N 2.47 0.17 -0.03 2.90 -0.04 -1.22 -2.43 135.00 136.82 2ech n PRO 47 Ca 0.15 0.16 -0.09 0.00 -0.04 0.00 0.00 63.50 63.68 2ech n PRO 47 Cb 0.35 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.28 2ech n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ech h ALA 48 N 2.68 0.18 0.00 0.55 0.00 -1.93 -3.45 119.26 117.29 2ech h ALA 48 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ech h ALA 48 Cb 0.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2ech h ALA 48 CO 0.00 -0.39 0.00 2.41 0.00 0.00 0.00 179.25 181.27