#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1den s PRO 2 N 0.00 2.80 -0.01 -1.09 0.04 -1.26 -4.27 135.00 131.21 1den s PRO 2 Ca 0.00 -0.22 -0.01 0.00 0.04 0.00 0.00 61.00 60.80 1den s PRO 2 Cb 0.00 -4.89 0.00 0.00 0.04 0.00 0.00 34.50 29.65 1den s PRO 2 CO 0.00 -2.93 0.02 -0.11 0.04 0.00 0.00 177.00 174.02 1den n LEU 3 N 12.45 -3.02 -4.85 -3.56 0.00 -1.26 -5.00 117.00 111.77 1den n LEU 3 Ca 0.31 0.61 -0.31 0.00 0.00 0.00 0.00 56.01 56.62 1den n LEU 3 Cb 0.49 -1.52 0.05 0.00 0.00 0.00 0.00 43.42 42.44 1den n LEU 3 CO 0.64 -0.77 0.72 0.00 0.00 0.00 0.00 177.39 177.98 1den s ARG 4 N -1.39 2.93 0.45 1.96 1.70 -1.25 -4.99 118.95 118.37 1den s ARG 4 Ca -0.03 0.72 0.29 0.00 -0.47 0.00 0.00 55.73 56.25 1den s ARG 4 Cb 0.00 -2.01 1.09 0.00 -0.57 0.00 0.00 34.95 33.46 1den s ARG 4 CO 0.07 -1.04 1.85 0.87 -1.08 0.00 0.00 175.30 175.97 1den h LYS 5 N -0.67 0.00 0.00 3.89 1.57 -1.96 -2.91 116.57 116.49 1den h LYS 5 Ca -0.45 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 1den h LYS 5 Cb 1.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 1den h LYS 5 CO 0.60 0.00 -0.03 1.25 -0.57 0.00 0.00 179.45 180.70 1den h LEU 6 N 0.00 0.00 -4.40 2.94 5.85 -1.98 -2.12 115.31 115.59 1den h LEU 6 Ca 0.00 0.00 -0.69 0.00 0.84 0.00 0.00 57.88 58.03 1den h LEU 6 Cb 0.58 0.00 -0.31 0.00 0.37 0.00 0.00 40.66 41.29 1den h LEU 6 CO 0.00 0.03 0.56 0.00 -0.34 0.00 0.00 178.44 178.69 1den n ILE 8 N -0.70 0.00 0.00 0.00 2.08 -0.81 -4.93 119.36 115.00 1den n ILE 8 Ca 0.55 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.86 1den n ILE 8 Cb 0.54 0.08 0.00 0.00 -0.75 0.00 0.00 39.64 39.51 1den n ILE 8 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1den n LEU 9 N 0.00 0.00 -3.17 1.39 4.77 -1.15 -5.08 117.00 113.76 1den n LEU 9 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1den n LEU 9 Cb 0.14 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1den n LEU 9 CO 0.00 0.00 0.35 -1.00 -1.33 0.00 0.00 177.39 175.41 1den s HIS 10 N 0.00 -1.14 -0.02 -1.77 3.76 -1.26 -5.14 115.29 109.71 1den s HIS 10 Ca 0.00 1.25 -0.37 0.00 -0.15 0.00 0.00 55.06 55.80 1den s HIS 10 Cb 0.00 0.42 -0.15 0.00 1.11 0.00 0.00 32.58 33.96 1den s HIS 10 CO 0.00 -0.62 1.58 2.89 -0.85 0.00 0.00 174.74 177.74 1den n ARG 11 N 5.44 1.51 -3.64 1.40 0.00 -1.26 -4.49 116.66 115.62 1den n ARG 11 Ca -0.04 0.55 -0.28 0.00 -0.00 0.00 0.00 57.85 58.08 1den n ARG 11 Cb 0.52 -2.26 -0.09 0.00 -0.00 0.00 0.00 32.46 30.62 1den n ARG 11 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1den n ASN 12 N 4.12 3.55 0.09 2.89 4.13 -1.26 -4.91 115.26 123.87 1den n ASN 12 Ca 0.21 -3.33 -0.13 0.00 1.68 0.00 0.00 54.58 53.01 1den n ASN 12 Cb 0.21 -0.75 -0.08 0.00 -1.54 0.00 0.00 39.78 37.62 1den n ASN 12 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1den h PRO 13 N 4.86 -0.17 0.00 3.52 0.13 -1.90 -3.34 132.00 135.10 1den h PRO 13 Ca 0.18 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1den h PRO 13 Cb 0.71 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1den h PRO 13 CO 0.80 0.03 0.00 0.41 -0.23 0.00 0.00 178.00 179.01 1den n GLY 14 N -0.70 0.78 0.00 1.56 0.00 -1.26 -1.77 105.19 103.80 1den n GLY 14 Ca -0.09 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1den n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1den n ARG 15 N -0.12 3.55 0.00 1.61 1.74 -1.26 -4.36 116.66 117.82 1den n ARG 15 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1den n ARG 15 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1den n ARG 15 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1den s TYR 17 N 0.00 -0.49 -0.31 0.00 1.13 -1.26 -4.85 117.35 111.57 1den s TYR 17 Ca 0.00 0.17 -0.38 0.00 -1.41 0.00 0.00 57.07 55.45 1den s TYR 17 Cb 0.00 0.09 -0.14 0.00 -1.10 0.00 0.00 41.96 40.81 1den s TYR 17 CO 0.00 -0.31 1.96 0.94 -2.51 0.00 0.00 175.55 175.63 1den n GLN 18 N 4.37 1.09 0.00 -3.49 7.27 -1.26 -1.02 117.38 124.34 1den n GLN 18 Ca 0.07 0.36 0.00 0.00 0.07 0.00 0.00 57.00 57.51 1den n GLN 18 Cb 0.60 -2.22 0.00 0.00 2.41 0.00 0.00 30.24 31.03 1den n GLN 18 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1den n LYS 19 N 6.74 0.00 -3.27 3.69 3.00 -0.60 -4.92 118.16 122.80 1den n LYS 19 Ca 0.34 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.40 1den n LYS 19 Cb 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.13 1den n LYS 19 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1den n ILE 20 N 0.00 1.72 -1.81 3.15 2.08 -1.07 -5.01 119.36 118.42 1den n ILE 20 Ca 0.00 -5.01 -0.42 0.00 0.56 0.00 0.00 62.75 57.88 1den n ILE 20 Cb 0.00 -1.82 -0.03 0.00 -0.75 0.00 0.00 39.64 37.05 1den n ILE 20 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1den s PRO 21 N -2.41 4.16 0.00 0.38 0.04 -1.26 -3.19 135.00 132.72 1den s PRO 21 Ca 0.41 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.96 1den s PRO 21 Cb 0.19 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1den s PRO 21 CO -0.06 -0.68 0.00 0.00 0.04 0.00 0.00 177.00 176.30 1den n ALA 22 N 3.68 0.00 -2.20 8.56 0.00 -0.48 -4.93 120.51 125.13 1den n ALA 22 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 1den n ALA 22 Cb 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.72 1den n ALA 22 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1den s PHE 23 N 0.71 0.82 0.02 0.00 0.40 0.35 -1.22 117.98 119.06 1den s PHE 23 Ca 0.00 -1.19 -0.02 0.00 -0.60 0.00 0.00 56.93 55.11 1den s PHE 23 Cb 0.00 -0.44 -0.01 0.00 0.51 0.00 0.00 43.02 43.07 1den s PHE 23 CO 0.00 -0.54 0.02 1.52 0.70 0.00 0.00 175.22 176.92 1den s TYR 24 N -4.04 0.20 -0.49 0.36 1.13 0.27 -1.39 117.35 113.39 1den s TYR 24 Ca 0.24 -0.41 -0.29 0.00 -1.41 0.00 0.00 57.07 55.19 1den s TYR 24 Cb 0.07 -0.15 0.03 0.00 -1.10 0.00 0.00 41.96 40.81 1den s TYR 24 CO 0.02 -0.22 1.20 -0.47 -2.51 0.00 0.00 175.55 173.57 1den s TYR 25 N -1.44 2.70 -0.52 -3.49 5.04 -1.26 -0.37 117.35 118.01 1den s TYR 25 Ca -0.16 0.65 -0.29 0.00 -2.44 0.00 0.00 57.07 54.84 1den s TYR 25 Cb -0.09 -4.44 0.03 0.00 0.35 0.00 0.00 41.96 37.81 1den s TYR 25 CO -0.00 -1.45 1.19 1.21 -1.34 0.00 0.00 175.55 175.15 1den s ASN 26 N 2.83 6.52 -0.05 4.32 2.47 -0.50 -4.90 114.94 125.63 1den s ASN 26 Ca 0.49 0.34 -0.05 0.00 0.42 0.00 0.00 52.86 54.06 1den s ASN 26 Cb -0.08 -2.55 -0.19 0.00 -1.45 0.00 0.00 41.25 36.97 1den s ASN 26 CO 0.31 -1.37 3.32 0.00 -3.72 0.00 0.00 177.10 175.64 1den n GLN 27 N 8.13 1.92 0.00 0.43 6.02 -1.26 -0.54 117.38 132.08 1den n GLN 27 Ca 0.11 -1.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.07 1den n GLN 27 Cb 0.49 -1.89 0.00 0.00 1.02 0.00 0.00 30.24 29.86 1den n GLN 27 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1den n LYS 28 N 2.17 0.09 -0.13 -1.09 5.02 -1.26 -4.86 118.16 118.10 1den n LYS 28 Ca 0.38 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.48 1den n LYS 28 Cb 0.83 -0.56 -0.12 0.00 -0.02 0.00 0.00 35.03 35.16 1den n LYS 28 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1den n LYS 29 N -1.46 0.63 -2.18 1.97 4.81 -1.11 -5.06 118.16 115.75 1den n LYS 29 Ca 0.00 0.16 -0.02 0.00 -0.87 0.00 0.00 58.31 57.58 1den n LYS 29 Cb 0.06 -1.51 0.01 0.00 0.02 0.00 0.00 35.03 33.61 1den n LYS 29 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1den n LYS 30 N -3.35 -0.66 -3.61 1.64 5.02 0.30 -5.07 118.16 112.42 1den n LYS 30 Ca -0.46 0.78 -0.04 0.00 -2.02 0.00 0.00 58.31 56.57 1den n LYS 30 Cb 0.97 -3.32 -0.02 0.00 -0.02 0.00 0.00 35.03 32.64 1den n LYS 30 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1den s GLN 31 N -3.15 0.22 -0.30 1.97 0.74 -1.25 -5.03 119.66 112.86 1den s GLN 31 Ca 0.05 -0.07 -0.27 0.00 0.05 0.00 0.00 55.36 55.12 1den s GLN 31 Cb -0.01 0.10 0.01 0.00 1.10 0.00 0.00 33.01 34.21 1den s GLN 31 CO 0.32 -0.09 0.98 0.00 -0.55 0.00 0.00 175.29 175.94 1den s GLU 33 N 3.35 2.45 0.32 0.00 0.41 0.50 -4.84 118.70 120.89 1den s GLU 33 Ca 0.41 -0.35 -0.07 0.00 -0.41 0.00 0.00 54.97 54.55 1den s GLU 33 Cb -0.13 -2.28 -0.06 0.00 -1.78 0.00 0.00 34.13 29.88 1den s GLU 33 CO 0.13 -0.97 0.62 0.20 -0.49 0.00 0.00 175.26 174.75 1den s GLY 34 N -4.44 1.90 -0.16 -1.39 0.00 -1.26 -0.56 107.32 101.40 1den s GLY 34 Ca 0.58 -0.43 -0.17 0.00 0.00 0.00 0.00 44.72 44.69 1den s GLY 34 CO 0.43 -0.30 0.47 -0.11 0.00 0.00 0.00 173.10 173.59 1den s PHE 35 N -2.17 -0.50 -0.37 1.90 -0.71 -0.35 -4.68 117.98 111.11 1den s PHE 35 Ca 0.46 1.18 -0.17 0.00 -1.04 0.00 0.00 56.93 57.37 1den s PHE 35 Cb -0.11 0.18 -0.00 0.00 -1.21 0.00 0.00 43.02 41.89 1den s PHE 35 CO 0.30 -0.28 0.43 0.99 -1.34 0.00 0.00 175.22 175.32 1den s THR 36 N 0.04 5.10 0.43 -4.49 2.01 -1.26 -1.38 115.64 116.09 1den s THR 36 Ca -0.02 0.03 -0.15 0.00 0.31 0.00 0.00 61.69 61.86 1den s THR 36 Cb -0.03 -3.93 -0.08 0.00 0.01 0.00 0.00 72.50 68.47 1den s THR 36 CO 0.01 -0.22 0.87 0.86 -0.69 0.00 0.00 174.62 175.45 1den s TRP 37 N 2.17 3.42 0.04 4.92 -0.00 -1.19 -4.75 118.94 123.55 1den s TRP 37 Ca 0.14 1.32 0.04 0.00 -0.00 0.00 0.00 56.10 57.60 1den s TRP 37 Cb -0.16 -2.65 -0.02 0.00 -0.00 0.00 0.00 33.47 30.64 1den s TRP 37 CO 0.13 -0.16 -0.13 -1.12 -0.00 0.00 0.00 176.95 175.66 1den s SER 38 N -2.81 1.51 0.00 5.86 0.01 -0.73 -1.55 113.70 115.99 1den s SER 38 Ca 0.56 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.35 1den s SER 38 Cb -0.10 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1den s SER 38 CO 0.26 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.51 1den n GLY 39 N 1.81 0.00 3.27 3.44 0.00 -0.19 -4.40 105.19 109.13 1den n GLY 39 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1den n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1den n GLY 41 N 2.40 -1.03 0.00 0.00 0.00 -1.26 -4.22 105.19 101.08 1den n GLY 41 Ca -0.15 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1den n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1den n GLY 42 N -0.21 -0.83 0.00 -0.02 0.00 -1.25 -5.03 105.19 97.84 1den n GLY 42 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1den n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1den n ASN 43 N 0.00 -0.49 0.00 1.61 3.02 -1.26 -4.98 115.26 113.16 1den n ASN 43 Ca 0.00 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 1den n ASN 43 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1den n ASN 43 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1den n SER 44 N -2.22 0.00 -3.32 6.41 7.64 -1.26 -4.39 113.62 116.49 1den n SER 44 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1den n SER 44 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1den n SER 44 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1den n ASN 45 N 0.00 -2.83 -4.60 6.43 5.15 -1.26 -4.24 115.26 113.92 1den n ASN 45 Ca 0.00 -0.31 -0.41 0.00 -0.60 0.00 0.00 54.58 53.27 1den n ASN 45 Cb 0.00 -2.40 -0.07 0.00 -0.53 0.00 0.00 39.78 36.78 1den n ASN 45 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1den s ARG 46 N -5.94 3.90 -0.04 1.20 3.00 -1.26 -4.22 118.95 115.59 1den s ARG 46 Ca 0.36 0.23 0.01 0.00 -1.00 0.00 0.00 55.73 55.33 1den s ARG 46 Cb -0.20 -3.72 0.02 0.00 0.00 0.00 0.00 34.95 31.05 1den s ARG 46 CO 0.44 -0.52 -0.03 -0.06 0.00 0.00 0.00 175.30 175.13 1den s PHE 47 N 2.49 0.63 0.02 5.12 0.08 -0.48 -5.00 117.98 120.83 1den s PHE 47 Ca 0.23 -0.15 -0.23 0.00 0.12 0.00 0.00 56.93 56.90 1den s PHE 47 Cb -0.15 -0.59 -0.16 0.00 -0.57 0.00 0.00 43.02 41.55 1den s PHE 47 CO 0.11 -0.17 1.35 0.87 -0.10 0.00 0.00 175.22 177.29 1den h LYS 48 N 7.15 0.18 -6.15 0.44 1.79 -1.95 0.10 116.57 118.13 1den h LYS 48 Ca -0.39 -0.08 -0.56 0.00 -2.18 0.00 0.00 60.65 57.43 1den h LYS 48 Cb 1.15 -0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.61 1den h LYS 48 CO 0.48 0.57 -0.80 0.95 -1.08 0.00 0.00 179.45 179.57 1den s THR 49 N -4.46 1.97 0.44 -0.16 -4.23 -1.26 -4.61 115.64 103.33 1den s THR 49 Ca -0.15 -1.92 0.26 0.00 -1.18 0.00 0.00 61.69 58.71 1den s THR 49 Cb 0.04 -1.90 0.29 0.00 1.34 0.00 0.00 72.50 72.27 1den s THR 49 CO 0.71 -0.24 2.09 0.40 -0.54 0.00 0.00 174.62 177.04 1den h ILE 50 N 3.30 0.62 0.15 2.99 2.04 -1.89 -1.36 117.51 123.37 1den h ILE 50 Ca -0.44 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1den h ILE 50 Cb 1.20 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1den h ILE 50 CO 0.49 0.11 -0.07 -0.33 0.00 0.00 0.00 178.15 178.34 1den h GLU 51 N 0.00 -0.20 -0.93 2.37 5.08 -1.97 -1.68 114.58 117.25 1den h GLU 51 Ca -0.00 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.58 1den h GLU 51 Cb 0.29 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.51 1den h GLU 51 CO 0.01 0.14 0.61 0.93 -1.00 0.00 0.00 179.01 179.70 1den h GLU 52 N -0.97 0.47 0.50 2.33 3.07 -1.97 0.27 114.58 118.28 1den h GLU 52 Ca -0.02 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 1den h GLU 52 Cb 0.44 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1den h GLU 52 CO 0.03 0.31 -0.24 0.00 -1.40 0.00 0.00 179.01 177.71 1den h ARG 54 N -1.06 0.67 -1.06 0.00 3.08 -0.17 0.30 114.38 116.15 1den h ARG 54 Ca -0.07 -0.04 0.28 0.00 0.07 0.00 0.00 59.98 60.22 1den h ARG 54 Cb 0.60 -0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.42 1den h ARG 54 CO 0.11 0.45 0.71 0.00 -1.07 0.00 0.00 179.97 180.17 1den h ARG 55 N 0.69 0.25 0.00 0.04 3.08 -0.58 0.47 114.38 118.34 1den h ARG 55 Ca 0.26 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 60.11 1den h ARG 55 Cb 0.17 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1den h ARG 55 CO -0.08 0.17 -1.69 2.41 -1.07 0.00 0.00 179.97 179.71 1den n THR 56 N -4.48 0.69 0.15 2.04 -1.04 -1.07 -3.46 114.28 107.11 1den n THR 56 Ca 0.25 -0.25 0.06 0.00 -2.04 0.00 0.00 64.05 62.07 1den n THR 56 Cb 0.97 -1.04 0.06 0.00 -1.82 0.00 0.00 70.33 68.50 1den n THR 56 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1den h ILE 58 N 0.00 0.16 0.00 0.00 1.08 -1.07 -3.48 117.51 114.20 1den h ILE 58 Ca -0.02 -1.16 0.00 0.00 -0.39 0.00 0.00 64.86 63.29 1den h ILE 58 Cb 1.24 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 1den h ILE 58 CO 0.03 0.06 0.00 0.54 -0.69 0.00 0.00 178.15 178.09 1den n ARG 59 N -4.66 0.00 0.00 2.37 1.74 -1.21 -4.76 116.66 110.14 1den n ARG 59 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1den n ARG 59 Cb 0.21 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.65 1den n ARG 59 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28