#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 -1.85 2.78 -0.56 0.00 2.12 -1.26 -4.92 118.70 115.00 2ech s GLU 3 Ca -0.04 0.85 0.04 0.00 0.36 0.00 0.00 54.97 56.18 2ech s GLU 3 Cb -0.09 -4.35 0.15 0.00 0.26 0.00 0.00 34.13 30.10 2ech s GLU 3 CO 0.01 -2.54 0.35 0.45 -0.54 0.00 0.00 175.26 172.99 2ech s SER 4 N 7.80 4.06 -0.50 -1.70 0.15 -1.26 -4.27 113.70 117.98 2ech s SER 4 Ca 0.72 -3.25 -0.17 0.00 0.70 0.00 0.00 55.95 53.95 2ech s SER 4 Cb -0.15 -1.38 0.08 0.00 -1.71 0.00 0.00 66.02 62.86 2ech s SER 4 CO 0.24 -0.18 0.50 -0.83 1.20 0.00 0.00 173.24 174.17 2ech s GLY 5 N -0.55 1.95 0.18 9.45 0.00 -1.26 -4.94 107.32 112.14 2ech s GLY 5 Ca 0.22 -2.04 0.06 0.00 0.00 0.00 0.00 44.72 42.95 2ech s GLY 5 CO -0.08 1.23 0.97 -1.05 0.00 0.00 0.00 173.10 174.17 2ech n PRO 6 N 5.59 0.04 -0.11 2.90 -0.02 -1.26 0.29 135.00 142.43 2ech n PRO 6 Ca -0.11 0.40 -0.07 0.00 -2.02 0.00 0.00 63.50 61.71 2ech n PRO 6 Cb 0.44 -1.98 -0.05 0.00 -0.02 0.00 0.00 33.50 31.89 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 8.58 0.00 0.00 0.00 3.00 0.81 -2.91 116.66 126.14 2ech n ARG 9 Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.13 2ech n ARG 9 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.89 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 -0.35 0.14 0.00 0.55 5.15 -1.26 -4.61 115.26 114.88 2ech n ASN 10 Ca 0.00 -1.06 0.00 0.00 -0.60 0.00 0.00 54.58 52.92 2ech n ASN 10 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 3.60 0.06 0.00 -0.14 -1.26 -4.71 119.74 117.30 2ech s LYS 12 Ca 0.00 -0.47 -0.32 0.00 -1.36 0.00 0.00 55.97 53.82 2ech s LYS 12 Cb 0.00 -2.95 -0.11 0.00 -1.68 0.00 0.00 37.83 33.09 2ech s LYS 12 CO 0.00 0.33 1.82 1.19 -0.76 0.00 0.00 175.35 177.94 2ech n PHE 13 N 3.27 2.47 -0.44 3.18 3.72 -1.26 -0.13 117.46 128.27 2ech n PHE 13 Ca -0.17 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 2ech n PHE 13 Cb 0.53 -2.69 0.00 0.00 -0.94 0.00 0.00 39.48 36.37 2ech n PHE 13 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18 2ech n LEU 14 N 5.78 0.00 0.00 4.37 -0.00 -1.26 -4.82 117.00 121.07 2ech n LEU 14 Ca 0.19 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.21 2ech n LEU 14 Cb 0.34 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.81 2ech n LEU 14 CO 0.68 -0.49 0.30 2.29 -0.00 0.00 0.00 177.39 180.17 2ech n LYS 15 N -0.73 0.50 -1.79 1.47 2.85 -1.26 -4.32 118.16 114.88 2ech n LYS 15 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2ech n LYS 15 Cb 0.00 -1.06 0.00 0.00 -0.65 0.00 0.00 35.03 33.32 2ech n LYS 15 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2ech n GLU 16 N -0.56 -5.04 -2.47 -1.58 2.13 -1.26 -4.90 120.64 106.96 2ech n GLU 16 Ca 0.01 3.66 -0.06 0.00 0.66 0.00 0.00 57.16 61.43 2ech n GLU 16 Cb 0.01 -4.05 0.03 0.00 0.27 0.00 0.00 31.44 27.70 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 0.22 0.15 2.96 8.31 0.00 -0.46 -4.93 105.19 111.44 2ech n GLY 17 Ca 0.00 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.13 1.06 -0.02 2.61 2.01 -1.21 -4.94 115.64 112.02 2ech s THR 18 Ca 0.02 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 2ech s THR 18 Cb -0.00 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 2ech s THR 18 CO 0.27 0.35 1.28 -0.63 -0.69 0.00 0.00 174.62 175.20 2ech s ILE 19 N 1.15 4.01 -0.05 1.82 1.01 -1.26 -1.05 121.20 126.82 2ech s ILE 19 Ca -0.06 1.37 -0.22 0.00 0.00 0.00 0.00 60.65 61.74 2ech s ILE 19 Cb -0.14 -3.88 -0.17 0.00 0.01 0.00 0.00 42.46 38.28 2ech s ILE 19 CO -0.02 0.01 0.92 0.00 0.00 0.00 0.00 174.94 175.85 2ech n LYS 21 N -4.90 0.00 0.00 0.00 4.76 -1.25 -5.06 118.16 111.70 2ech n LYS 21 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 2ech n LYS 21 Cb 0.27 -0.19 0.00 0.00 -1.84 0.00 0.00 35.03 33.27 2ech n LYS 21 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2ech n ARG 22 N -0.16 0.00 0.00 1.97 3.00 -1.26 -5.05 116.66 115.16 2ech n ARG 22 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2ech n ARG 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2ech n ARG 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ech n ALA 23 N 2.20 0.00 -1.09 5.13 0.00 -1.26 -4.95 120.51 120.53 2ech n ALA 23 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2ech n ALA 23 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 2ech n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ech n ARG 24 N 0.00 -0.86 -0.06 0.00 5.12 -1.05 -4.98 116.66 114.82 2ech n ARG 24 Ca 0.00 -0.36 -0.07 0.00 -1.93 0.00 0.00 57.85 55.49 2ech n ARG 24 Cb 0.00 -0.29 -0.01 0.00 -1.16 0.00 0.00 32.46 31.00 2ech n ARG 24 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2ech h GLY 25 N -0.65 0.07 0.00 -0.13 0.00 -2.02 -3.40 103.07 96.95 2ech h GLY 25 Ca -0.08 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2ech h GLY 25 CO 0.05 -0.16 -0.56 1.34 0.00 0.00 0.00 176.54 177.22 2ech n ASP 26 N -5.31 1.63 -4.73 0.19 2.03 -1.26 -5.02 116.55 104.09 2ech n ASP 26 Ca -0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 2ech n ASP 26 Cb 0.23 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.60 2ech n ASP 26 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2ech s ASP 27 N -3.94 6.69 -0.62 1.67 2.15 -1.26 -3.29 116.67 118.06 2ech s ASP 27 Ca 0.00 2.54 0.00 0.00 0.43 0.00 0.00 52.55 55.52 2ech s ASP 27 Cb 0.00 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2ech s ASP 27 CO 0.00 -0.73 0.00 0.23 -0.17 0.00 0.00 175.17 174.50 2ech n MET 28 N 3.47 -1.17 -0.73 4.34 2.81 -1.26 -2.53 117.12 122.05 2ech n MET 28 Ca 0.11 0.61 -0.17 0.00 -1.81 0.00 0.00 57.70 56.44 2ech n MET 28 Cb 0.40 -4.64 0.14 0.00 -0.71 0.00 0.00 33.22 28.41 2ech n MET 28 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2ech n ASP 29 N -0.48 -1.19 -3.15 7.83 8.00 -1.21 -4.53 116.55 121.82 2ech n ASP 29 Ca -0.06 -0.98 0.05 0.00 0.71 0.00 0.00 54.79 54.50 2ech n ASP 29 Cb 0.38 -0.58 -0.01 0.00 -0.02 0.00 0.00 41.12 40.90 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 -3.35 -1.06 -0.09 -2.24 1.01 -1.26 -4.50 116.67 105.17 2ech s ASP 30 Ca 0.41 0.44 -0.00 0.00 0.71 0.00 0.00 52.55 54.11 2ech s ASP 30 Cb -0.03 1.80 -0.03 0.00 1.01 0.00 0.00 42.92 45.67 2ech s ASP 30 CO 0.31 -0.20 -0.06 -0.31 0.21 0.00 0.00 175.17 175.12 2ech s TYR 31 N 2.89 2.96 -0.05 4.23 1.51 -1.23 -0.65 117.35 127.00 2ech s TYR 31 Ca 0.14 -0.10 -0.30 0.00 -1.01 0.00 0.00 57.07 55.80 2ech s TYR 31 Cb -0.11 -1.78 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 2ech s TYR 31 CO -0.20 0.21 0.98 0.00 -1.11 0.00 0.00 175.55 175.43 2ech n ASN 33 N 4.42 2.67 0.00 0.00 3.02 -1.14 -1.36 115.26 122.88 2ech n ASN 33 Ca 0.07 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.75 2ech n ASN 33 Cb 0.50 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 2ech n ASN 33 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ech n GLY 34 N 1.33 2.26 0.09 7.41 0.00 -1.26 -4.64 105.19 110.38 2ech n GLY 34 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 2ech n GLY 34 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ech h LYS 35 N 0.09 0.09 -4.15 1.61 3.64 -1.92 -3.45 116.57 112.48 2ech h LYS 35 Ca 0.00 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.10 2ech h LYS 35 Cb 0.00 0.06 -0.16 0.00 -0.41 0.00 0.00 32.23 31.72 2ech h LYS 35 CO 0.00 1.08 -0.64 -0.08 -2.27 0.00 0.00 179.45 177.53 2ech s THR 36 N -2.32 0.20 -0.03 1.00 -1.32 -1.26 -5.07 115.64 106.84 2ech s THR 36 Ca -0.20 -1.64 0.19 0.00 -1.21 0.00 0.00 61.69 58.84 2ech s THR 36 Cb 0.00 -1.37 -0.30 0.00 -1.51 0.00 0.00 72.50 69.32 2ech s THR 36 CO 0.71 -0.90 0.42 0.00 -2.21 0.00 0.00 174.62 172.64 2ech n ASP 38 N -2.17 5.23 -2.55 0.00 2.03 -1.26 -4.61 116.55 113.22 2ech n ASP 38 Ca -0.04 -2.73 0.00 0.00 0.52 0.00 0.00 54.79 52.55 2ech n ASP 38 Cb 0.50 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 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 -2.26 1.42 -1.38 0.00 0.02 -1.26 -4.89 135.00 126.65 2ech s PRO 40 Ca 0.00 1.44 -0.07 0.00 0.02 0.00 0.00 61.00 62.39 2ech s PRO 40 Cb 0.00 -1.78 0.08 0.00 0.02 0.00 0.00 34.50 32.82 2ech s PRO 40 CO 0.00 -2.31 2.41 -2.13 -0.33 0.00 0.00 177.00 174.64 2ech n ARG 41 N -3.99 4.18 -2.80 5.54 3.00 -1.17 -3.54 116.66 117.88 2ech n ARG 41 Ca 0.11 -3.18 -0.03 0.00 -0.00 0.00 0.00 57.85 54.75 2ech n ARG 41 Cb 0.52 -2.74 -0.03 0.00 0.00 0.00 0.00 32.46 30.21 2ech n ARG 41 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2ech n ASN 42 N 2.64 -3.64 -0.37 6.15 2.85 -1.26 -4.30 115.26 117.34 2ech n ASN 42 Ca 0.62 1.19 0.34 0.00 -0.11 0.00 0.00 54.58 56.61 2ech n ASN 42 Cb 0.27 -3.60 0.69 0.00 1.24 0.00 0.00 39.78 38.38 2ech n ASN 42 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2ech h PRO 43 N 4.56 0.10 -0.04 1.20 0.11 -1.77 -2.60 132.00 133.57 2ech h PRO 43 Ca -0.31 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.69 2ech h PRO 43 Cb 0.70 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 2ech h PRO 43 CO 0.01 0.07 -0.44 0.45 -0.21 0.00 0.00 178.00 177.88 2ech h HIS 44 N 0.11 0.10 0.00 0.65 3.86 -1.89 -3.36 115.15 114.62 2ech h HIS 44 Ca 0.63 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.80 2ech h HIS 44 Cb 2.25 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 30.70 2ech h HIS 44 CO -0.00 0.51 -0.26 0.87 0.86 0.00 0.00 177.93 179.90 2ech h LYS 45 N 0.07 0.00 0.00 2.45 1.79 -1.77 -3.50 116.57 115.61 2ech h LYS 45 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2ech h LYS 45 Cb 0.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2ech h LYS 45 CO 0.06 0.13 0.00 0.41 -1.08 0.00 0.00 179.45 178.97 2ech n GLY 46 N 1.69 -1.28 3.80 3.86 0.00 -1.24 -5.15 105.19 106.86 2ech n GLY 46 Ca -0.05 0.48 -0.35 0.00 0.00 0.00 0.00 46.02 46.10 2ech n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ech s PRO 47 N 0.00 4.16 -0.05 1.61 0.04 -1.26 -4.86 135.00 134.63 2ech s PRO 47 Ca 0.00 1.31 -0.07 0.00 0.04 0.00 0.00 61.00 62.28 2ech s PRO 47 Cb 0.00 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 2ech s PRO 47 CO 0.00 -0.11 0.33 0.00 0.04 0.00 0.00 177.00 177.26 2ech h ALA 48 N 2.17 -0.30 0.00 8.56 0.00 -1.84 -3.21 119.26 124.64 2ech h ALA 48 Ca -0.49 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2ech h ALA 48 Cb 1.20 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2ech h ALA 48 CO 0.61 -0.28 0.00 0.25 0.00 0.00 0.00 179.25 179.84