#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1den h PRO 2 N 0.00 -0.45 -6.94 -1.09 0.13 -1.89 -3.44 132.00 118.33 1den h PRO 2 Ca 0.00 0.03 -0.54 0.00 -0.87 0.00 0.00 66.00 64.62 1den h PRO 2 Cb 0.00 0.10 0.11 0.00 0.13 0.00 0.00 31.00 31.34 1den h PRO 2 CO 0.00 -0.20 0.78 -0.51 -0.23 0.00 0.00 178.00 177.84 1den s LEU 3 N -9.81 4.32 0.01 1.56 1.43 -1.25 -4.35 118.68 110.58 1den s LEU 3 Ca -0.15 3.05 -0.15 0.00 -1.03 0.00 0.00 54.13 55.85 1den s LEU 3 Cb 0.03 -3.67 0.02 0.00 0.03 0.00 0.00 46.19 42.61 1den s LEU 3 CO 0.60 -0.87 0.32 0.00 0.23 0.00 0.00 176.35 176.63 1den s ARG 4 N -2.07 0.75 0.38 1.70 1.70 -1.10 -5.02 118.95 115.29 1den s ARG 4 Ca 0.53 -0.33 0.28 0.00 -0.47 0.00 0.00 55.73 55.74 1den s ARG 4 Cb -0.46 0.33 1.14 0.00 -0.57 0.00 0.00 34.95 35.38 1den s ARG 4 CO 0.63 -0.23 1.83 -0.22 -1.08 0.00 0.00 175.30 176.23 1den h LYS 5 N 3.51 0.00 0.00 3.89 3.64 -1.96 -2.95 116.57 122.69 1den h LYS 5 Ca -0.31 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 1den h LYS 5 Cb 1.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1den h LYS 5 CO 0.43 0.00 -0.05 1.25 -2.27 0.00 0.00 179.45 178.81 1den h LEU 6 N 0.00 0.00 -3.02 5.20 5.85 -1.96 -2.53 115.31 118.84 1den h LEU 6 Ca 0.00 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.46 1den h LEU 6 Cb 0.44 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.32 1den h LEU 6 CO 0.00 0.05 0.33 0.00 -0.34 0.00 0.00 178.44 178.48 1den n ILE 8 N -0.33 0.27 -0.20 0.00 2.08 -0.95 -4.69 119.36 115.53 1den n ILE 8 Ca 0.31 -0.17 0.23 0.00 0.56 0.00 0.00 62.75 63.67 1den n ILE 8 Cb 1.11 -0.89 0.60 0.00 -0.75 0.00 0.00 39.64 39.70 1den n ILE 8 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1den h LEU 9 N 0.00 0.24 0.00 1.39 -0.00 -1.72 -3.48 115.31 111.74 1den h LEU 9 Ca -0.11 0.03 0.12 0.00 -0.00 0.00 0.00 57.88 57.92 1den h LEU 9 Cb 1.25 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.86 1den h LEU 9 CO 0.01 0.09 -0.16 1.41 -0.00 0.00 0.00 178.44 179.79 1den n HIS 10 N -4.42 -2.39 -1.29 1.13 8.25 -1.26 -4.95 115.22 110.29 1den n HIS 10 Ca 0.18 0.56 -0.41 0.00 -0.26 0.00 0.00 57.72 57.79 1den n HIS 10 Cb 0.79 -1.01 -0.00 0.00 1.12 0.00 0.00 29.99 30.88 1den n HIS 10 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1den n ARG 11 N -1.96 0.00 -3.49 -0.41 0.00 -1.26 -4.18 116.66 105.36 1den n ARG 11 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.57 1den n ARG 11 Cb 0.21 -0.99 -0.13 0.00 -0.00 0.00 0.00 32.46 31.54 1den n ARG 11 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1den s ASN 12 N -0.99 3.15 0.00 2.89 0.01 -1.26 -4.97 114.94 113.76 1den s ASN 12 Ca 0.59 -1.78 0.00 0.00 -0.71 0.00 0.00 52.86 50.96 1den s ASN 12 Cb -0.63 -0.34 0.00 0.00 0.41 0.00 0.00 41.25 40.69 1den s ASN 12 CO 0.62 -0.36 0.02 -0.81 -1.51 0.00 0.00 177.10 175.06 1den n PRO 13 N 4.57 0.00 0.00 -0.60 -0.04 -1.26 -3.96 135.00 133.71 1den n PRO 13 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1den n PRO 13 Cb 0.39 -0.30 0.00 0.00 -0.04 0.00 0.00 33.50 33.55 1den n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1den n GLY 14 N 1.40 4.11 2.64 0.55 0.00 -1.26 -1.80 105.19 110.82 1den n GLY 14 Ca 0.00 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 1den n GLY 14 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1den n ARG 15 N -0.61 3.78 0.00 1.61 1.85 -1.26 -3.93 116.66 118.10 1den n ARG 15 Ca 0.00 -3.13 0.00 0.00 -1.00 0.00 0.00 57.85 53.72 1den n ARG 15 Cb 0.00 -2.88 0.00 0.00 -1.05 0.00 0.00 32.46 28.53 1den n ARG 15 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1den n TYR 17 N 0.00 -2.77 -3.95 0.00 4.01 -1.25 -5.03 117.16 108.16 1den n TYR 17 Ca 0.00 1.22 -0.12 0.00 -0.16 0.00 0.00 57.90 58.83 1den n TYR 17 Cb 0.00 -3.28 -0.01 0.00 -0.31 0.00 0.00 39.34 35.74 1den n TYR 17 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1den n GLN 18 N 0.39 0.85 -3.70 -0.72 7.27 -1.26 -5.00 117.38 115.22 1den n GLN 18 Ca 0.01 -2.55 -0.11 0.00 0.07 0.00 0.00 57.00 54.42 1den n GLN 18 Cb 0.04 2.68 -0.10 0.00 2.41 0.00 0.00 30.24 35.27 1den n GLN 18 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1den s LYS 19 N -2.53 0.49 -0.30 3.69 2.47 -1.26 -4.39 119.74 117.91 1den s LYS 19 Ca 0.24 0.78 -0.03 0.00 -1.56 0.00 0.00 55.97 55.40 1den s LYS 19 Cb -0.02 0.11 0.19 0.00 -1.46 0.00 0.00 37.83 36.64 1den s LYS 19 CO 0.17 -0.12 0.69 0.42 0.16 0.00 0.00 175.35 176.67 1den s ILE 20 N 0.96 -0.86 0.28 5.43 -1.09 0.06 -4.52 121.20 121.46 1den s ILE 20 Ca -0.06 0.00 -0.29 0.00 -2.23 0.00 0.00 60.65 58.07 1den s ILE 20 Cb -0.06 -0.98 -0.10 0.00 -1.58 0.00 0.00 42.46 39.74 1den s ILE 20 CO -0.08 0.00 1.20 -2.84 -1.23 0.00 0.00 174.94 171.99 1den s PRO 21 N 2.88 4.50 0.00 2.79 0.02 -1.26 -0.83 135.00 143.10 1den s PRO 21 Ca 0.16 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1den s PRO 21 Cb -0.13 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.24 1den s PRO 21 CO -0.20 0.00 0.00 0.00 -0.33 0.00 0.00 177.00 176.48 1den n ALA 22 N 1.27 0.00 -2.61 -1.55 0.00 -0.55 -4.85 120.51 112.22 1den n ALA 22 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1den n ALA 22 Cb 0.43 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.55 0.14 0.02 0.00 0.40 0.93 -1.01 117.98 117.91 1den s PHE 23 Ca 0.00 -0.56 -0.09 0.00 -0.60 0.00 0.00 56.93 55.68 1den s PHE 23 Cb 0.00 -0.03 0.00 0.00 0.51 0.00 0.00 43.02 43.50 1den s PHE 23 CO 0.00 -0.57 0.18 1.52 0.70 0.00 0.00 175.22 177.05 1den s TYR 24 N -3.86 0.03 -0.35 0.36 1.13 0.21 -1.28 117.35 113.59 1den s TYR 24 Ca 0.06 -0.16 -0.29 0.00 -1.41 0.00 0.00 57.07 55.27 1den s TYR 24 Cb 0.04 -0.03 0.01 0.00 -1.10 0.00 0.00 41.96 40.89 1den s TYR 24 CO -0.10 -0.36 1.16 -0.47 -2.51 0.00 0.00 175.55 173.27 1den s TYR 25 N -1.94 2.92 -0.31 -3.49 5.04 -1.26 -0.92 117.35 117.39 1den s TYR 25 Ca -0.10 0.99 -0.21 0.00 -2.44 0.00 0.00 57.07 55.31 1den s TYR 25 Cb -0.04 -3.93 -0.00 0.00 0.35 0.00 0.00 41.96 38.34 1den s TYR 25 CO -0.01 -1.18 0.67 -0.80 -1.34 0.00 0.00 175.55 172.89 1den s ASN 26 N 2.22 6.52 -0.19 4.32 -0.87 -0.64 -4.91 114.94 121.40 1den s ASN 26 Ca 0.50 0.44 -0.04 0.00 -1.57 0.00 0.00 52.86 52.18 1den s ASN 26 Cb -0.12 -2.35 -0.08 0.00 -0.02 0.00 0.00 41.25 38.68 1den s ASN 26 CO 0.21 -0.53 2.99 0.00 -2.57 0.00 0.00 177.10 177.21 1den n GLN 27 N 5.99 2.00 0.05 -0.60 6.02 -1.26 -0.78 117.38 128.80 1den n GLN 27 Ca 0.00 -1.40 0.00 0.00 -0.01 0.00 0.00 57.00 55.59 1den n GLN 27 Cb 0.49 -1.90 0.00 0.00 1.02 0.00 0.00 30.24 29.85 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 1.62 0.00 -0.04 -1.09 5.02 -1.26 -4.86 118.16 117.54 1den n LYS 28 Ca 0.39 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.54 1den n LYS 28 Cb 0.71 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.64 1den n LYS 28 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1den h LYS 29 N 0.00 0.40 -4.15 1.97 3.64 -1.98 -3.49 116.57 112.97 1den h LYS 29 Ca 0.00 -0.27 -0.10 0.00 -1.27 0.00 0.00 60.65 59.01 1den h LYS 29 Cb 0.00 0.04 0.08 0.00 -0.41 0.00 0.00 32.23 31.94 1den h LYS 29 CO 0.00 0.87 -0.34 1.63 -2.27 0.00 0.00 179.45 179.34 1den n LYS 30 N -4.44 -0.99 0.00 1.90 5.02 0.04 -5.05 118.16 114.65 1den n LYS 30 Ca -0.07 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1den n LYS 30 Cb 0.46 -3.54 0.00 0.00 -0.02 0.00 0.00 35.03 31.93 1den n LYS 30 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1den n GLN 31 N -2.17 0.00 -2.67 1.97 7.27 -1.25 -5.04 117.38 115.49 1den n GLN 31 Ca -0.03 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.61 1den n GLN 31 Cb 0.55 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.17 1den n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1den s GLU 33 N 4.02 3.45 0.55 0.00 2.56 -0.10 -4.80 118.70 124.39 1den s GLU 33 Ca 0.44 -0.24 -0.15 0.00 0.00 0.00 0.00 54.97 55.02 1den s GLU 33 Cb -0.09 -2.59 -0.06 0.00 2.00 0.00 0.00 34.13 33.39 1den s GLU 33 CO 0.25 0.03 1.01 0.20 -0.56 0.00 0.00 175.26 176.19 1den s GLY 34 N -4.07 2.01 0.22 -1.50 0.00 -1.26 -0.62 107.32 102.10 1den s GLY 34 Ca 0.42 0.19 -0.10 0.00 0.00 0.00 0.00 44.72 45.24 1den s GLY 34 CO 0.38 0.47 0.37 -0.11 0.00 0.00 0.00 173.10 174.21 1den s PHE 35 N -2.68 0.54 -0.43 1.90 -0.71 -0.18 -4.76 117.98 111.65 1den s PHE 35 Ca 0.59 -0.87 -0.20 0.00 -1.04 0.00 0.00 56.93 55.41 1den s PHE 35 Cb -0.12 -0.02 0.02 0.00 -1.21 0.00 0.00 43.02 41.70 1den s PHE 35 CO 0.36 -0.86 0.62 0.99 -1.34 0.00 0.00 175.22 174.99 1den s THR 36 N -4.04 4.86 -0.27 -4.49 2.01 -1.26 -1.48 115.64 110.98 1den s THR 36 Ca 0.25 0.10 -0.09 0.00 0.31 0.00 0.00 61.69 62.25 1den s THR 36 Cb 0.02 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1den s THR 36 CO 0.08 -0.55 0.14 0.86 -0.69 0.00 0.00 174.62 174.46 1den s TRP 37 N 2.73 3.16 -0.15 4.92 -0.00 -0.01 -4.48 118.94 125.11 1den s TRP 37 Ca 0.21 -0.12 -0.29 0.00 -0.00 0.00 0.00 56.10 55.91 1den s TRP 37 Cb -0.14 -2.32 -0.02 0.00 -0.00 0.00 0.00 33.47 30.99 1den s TRP 37 CO 0.18 -0.25 1.25 -1.12 -0.00 0.00 0.00 176.95 177.01 1den s SER 38 N 1.70 6.97 0.00 5.86 0.01 -1.16 -0.76 113.70 126.31 1den s SER 38 Ca 0.07 1.70 -0.00 0.00 1.31 0.00 0.00 55.95 59.03 1den s SER 38 Cb -0.16 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.53 1den s SER 38 CO 0.08 -0.73 1.06 0.61 0.41 0.00 0.00 173.24 174.67 1den n GLY 39 N 3.56 1.56 2.71 3.44 0.00 -1.26 -3.29 105.19 111.91 1den n GLY 39 Ca 0.13 -0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 0.53 -0.37 0.47 0.00 0.00 -1.21 -4.33 105.19 100.29 1den n GLY 41 Ca 0.03 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 -3.50 0.00 -0.02 0.00 -0.75 -4.99 105.19 95.94 1den n GLY 42 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.88 0.00 0.00 1.61 4.13 -1.26 -5.05 115.26 113.81 1den n ASN 43 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1den n ASN 43 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1den n ASN 43 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1den n SER 44 N 0.00 0.00 -1.48 6.41 3.41 -1.26 -4.10 113.62 116.61 1den n SER 44 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1den n SER 44 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1den n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1den n ASN 45 N 0.00 1.88 -4.59 4.04 2.85 -1.25 -4.81 115.26 113.38 1den n ASN 45 Ca 0.00 -1.30 -0.41 0.00 -0.11 0.00 0.00 54.58 52.76 1den n ASN 45 Cb 0.00 -0.37 -0.07 0.00 1.24 0.00 0.00 39.78 40.58 1den n ASN 45 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1den s ARG 46 N 0.92 3.81 -0.02 1.20 3.52 -1.26 -4.19 118.95 122.94 1den s ARG 46 Ca 0.00 0.15 0.01 0.00 -0.13 0.00 0.00 55.73 55.76 1den s ARG 46 Cb 0.00 -3.75 0.02 0.00 -1.56 0.00 0.00 34.95 29.65 1den s ARG 46 CO 0.00 -0.60 -0.01 -0.06 -0.81 0.00 0.00 175.30 173.82 1den s PHE 47 N 2.56 0.33 -0.12 5.12 0.08 -0.40 -5.00 117.98 120.54 1den s PHE 47 Ca 0.23 -0.03 -0.22 0.00 0.12 0.00 0.00 56.93 57.03 1den s PHE 47 Cb -0.15 -0.34 -0.19 0.00 -0.57 0.00 0.00 43.02 41.77 1den s PHE 47 CO 0.13 -0.09 0.63 -0.22 -0.10 0.00 0.00 175.22 175.57 1den h LYS 48 N 6.80 -0.01 -5.86 0.44 1.63 -1.94 0.27 116.57 117.89 1den h LYS 48 Ca -0.37 0.00 -0.67 0.00 -0.85 0.00 0.00 60.65 58.76 1den h LYS 48 Cb 1.16 0.00 -0.20 0.00 -0.60 0.00 0.00 32.23 32.59 1den h LYS 48 CO 0.49 0.71 -0.69 0.95 -3.45 0.00 0.00 179.45 177.46 1den s THR 49 N -2.23 3.74 -0.85 1.00 -4.23 -1.26 -4.67 115.64 107.13 1den s THR 49 Ca -0.14 -0.45 0.16 0.00 -1.18 0.00 0.00 61.69 60.08 1den s THR 49 Cb -0.02 -2.56 0.14 0.00 1.34 0.00 0.00 72.50 71.40 1den s THR 49 CO 0.52 0.57 1.49 2.30 -0.54 0.00 0.00 174.62 178.96 1den n ILE 50 N 2.64 1.04 -0.03 2.99 -5.35 -1.26 -2.13 119.36 117.25 1den n ILE 50 Ca -0.18 0.28 -0.16 0.00 -0.27 0.00 0.00 62.75 62.42 1den n ILE 50 Cb 0.53 -1.10 -0.13 0.00 -1.74 0.00 0.00 39.64 37.20 1den n ILE 50 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1den h GLU 51 N 0.00 0.12 -0.80 6.28 4.39 -1.97 -1.66 114.58 120.93 1den h GLU 51 Ca 0.00 -0.17 0.10 0.00 0.34 0.00 0.00 59.36 59.62 1den h GLU 51 Cb 0.25 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.89 1den h GLU 51 CO 0.00 1.01 0.45 1.49 -1.16 0.00 0.00 179.01 180.80 1den h GLU 52 N -0.68 0.72 0.85 2.33 4.22 -1.95 0.28 114.58 120.35 1den h GLU 52 Ca -0.04 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.31 1den h GLU 52 Cb 1.13 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 30.22 1den h GLU 52 CO 0.05 0.48 -0.41 0.00 -2.18 0.00 0.00 179.01 176.95 1den h ARG 54 N -1.26 0.00 -0.57 0.00 3.08 -0.56 0.74 114.38 115.82 1den h ARG 54 Ca -0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1den h ARG 54 Cb 0.88 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 1den h ARG 54 CO 0.19 0.03 0.31 0.00 -1.07 0.00 0.00 179.97 179.43 1den h ARG 55 N 0.00 0.78 0.02 0.04 3.08 -0.37 0.15 114.38 118.08 1den h ARG 55 Ca -0.00 -0.08 -0.39 0.00 0.07 0.00 0.00 59.98 59.58 1den h ARG 55 Cb 0.09 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 29.92 1den h ARG 55 CO 0.00 0.57 -2.36 2.41 -1.07 0.00 0.00 179.97 179.53 1den n THR 56 N -4.40 1.55 0.11 2.04 -1.04 -0.96 -4.57 114.28 107.02 1den n THR 56 Ca 0.05 -0.55 -0.19 0.00 -2.04 0.00 0.00 64.05 61.33 1den n THR 56 Cb 0.10 -1.56 -0.15 0.00 -1.82 0.00 0.00 70.33 66.90 1den n THR 56 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1den s ILE 58 N -2.63 3.72 -0.02 0.00 -1.09 0.51 -4.66 121.20 117.03 1den s ILE 58 Ca -0.06 -1.68 -0.30 0.00 -2.23 0.00 0.00 60.65 56.38 1den s ILE 58 Cb 0.06 -2.96 -0.03 0.00 -1.58 0.00 0.00 42.46 37.95 1den s ILE 58 CO 0.90 -0.30 1.03 -0.60 -1.23 0.00 0.00 174.94 174.74 1den s ARG 59 N -3.51 4.50 0.00 2.79 3.52 -1.26 -4.23 118.95 120.76 1den s ARG 59 Ca 0.31 1.48 0.00 0.00 -0.13 0.00 0.00 55.73 57.38 1den s ARG 59 Cb -0.07 -3.47 0.00 0.00 -1.56 0.00 0.00 34.95 29.84 1den s ARG 59 CO 0.20 -0.17 0.27 1.63 -0.81 0.00 0.00 175.30 176.43