#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aw6 s LYS 2 N 0.00 0.75 -0.13 3.17 -2.85 -1.26 -5.02 119.74 114.40 1aw6 s LYS 2 Ca 0.00 -1.28 -0.05 0.00 -1.00 0.00 0.00 55.97 53.64 1aw6 s LYS 2 Cb 0.00 -0.90 0.01 0.00 -2.06 0.00 0.00 37.83 34.88 1aw6 s LYS 2 CO 0.00 -1.27 0.18 -0.11 0.10 0.00 0.00 175.35 174.26 1aw6 n LEU 3 N 3.68 -3.80 0.00 2.77 -0.00 -1.26 -4.98 117.00 113.41 1aw6 n LEU 3 Ca 0.17 0.16 0.00 0.00 -0.00 0.00 0.00 56.01 56.34 1aw6 n LEU 3 Cb 0.46 -1.73 0.00 0.00 -0.00 0.00 0.00 43.42 42.15 1aw6 n LEU 3 CO 0.08 -0.71 0.00 -0.11 -0.00 0.00 0.00 177.39 176.65 1aw6 n LEU 4 N -0.46 0.00 -0.44 -1.96 0.00 -1.26 -5.17 117.00 107.70 1aw6 n LEU 4 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 56.01 56.08 1aw6 n LEU 4 Cb 0.15 0.20 -0.02 0.00 0.00 0.00 0.00 43.42 43.75 1aw6 n LEU 4 CO 0.15 -0.20 -0.18 -1.54 0.00 0.00 0.00 177.39 175.62 1aw6 n SER 5 N -1.87 -2.40 -0.78 1.96 3.41 -1.26 -4.85 113.62 107.83 1aw6 n SER 5 Ca 0.00 0.47 0.05 0.00 -0.26 0.00 0.00 58.87 59.14 1aw6 n SER 5 Cb 0.00 -1.31 0.12 0.00 -0.26 0.00 0.00 64.21 62.76 1aw6 n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1aw6 n SER 6 N -2.46 1.40 0.00 4.04 2.88 -1.26 -4.99 113.62 113.23 1aw6 n SER 6 Ca -0.02 -2.99 0.00 0.00 -1.33 0.00 0.00 58.87 54.53 1aw6 n SER 6 Cb 0.19 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1aw6 n SER 6 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1aw6 n ILE 7 N -0.55 0.00 -2.13 2.46 2.08 -1.26 -5.19 119.36 114.77 1aw6 n ILE 7 Ca 0.12 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.43 1aw6 n ILE 7 Cb 0.82 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.71 1aw6 n ILE 7 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1aw6 n GLU 8 N 0.00 0.04 -2.30 0.38 -0.58 -1.26 -5.17 120.64 111.75 1aw6 n GLU 8 Ca 0.00 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.48 1aw6 n GLU 8 Cb 0.00 0.00 0.12 0.00 -0.57 0.00 0.00 31.44 30.99 1aw6 n GLU 8 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1aw6 s GLN 9 N 1.87 1.47 0.00 3.49 0.74 -1.26 -5.11 119.66 120.86 1aw6 s GLN 9 Ca 0.00 -0.71 0.00 0.00 0.05 0.00 0.00 55.36 54.70 1aw6 s GLN 9 Cb 0.00 -2.15 0.00 0.00 1.10 0.00 0.00 33.01 31.96 1aw6 s GLN 9 CO 0.00 -1.69 0.00 0.00 -0.55 0.00 0.00 175.29 173.05 1aw6 n ALA 10 N -3.13 0.00 -1.76 1.58 0.00 -1.26 -5.01 120.51 110.92 1aw6 n ALA 10 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.28 1aw6 n ALA 10 Cb 0.60 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.24 1aw6 n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aw6 h ASP 12 N -1.76 1.04 -0.35 0.00 3.58 -1.71 -2.93 116.42 114.28 1aw6 h ASP 12 Ca -0.45 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 56.91 1aw6 h ASP 12 Cb 1.25 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 1aw6 h ASP 12 CO 0.40 0.72 -0.06 0.40 -2.88 0.00 0.00 179.24 177.82 1aw6 h ILE 13 N 1.21 1.25 0.13 2.25 1.08 -1.87 -2.84 117.51 118.72 1aw6 h ILE 13 Ca 0.37 -1.08 -0.28 0.00 -0.39 0.00 0.00 64.86 63.49 1aw6 h ILE 13 Cb -0.02 0.98 0.01 0.00 -3.07 0.00 0.00 36.82 34.72 1aw6 h ILE 13 CO -0.11 0.37 -1.24 0.00 -0.69 0.00 0.00 178.15 176.48 1aw6 h ARG 15 N 0.10 -0.66 0.39 0.00 2.43 -1.48 -0.86 114.38 114.30 1aw6 h ARG 15 Ca -0.14 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1aw6 h ARG 15 Cb 1.96 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.66 1aw6 h ARG 15 CO 0.21 -0.44 -0.19 -0.07 -1.51 0.00 0.00 179.97 177.98 1aw6 h LEU 16 N -0.68 -0.44 -0.30 3.80 3.38 -1.57 -2.88 115.31 116.62 1aw6 h LEU 16 Ca -0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1aw6 h LEU 16 Cb 0.66 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1aw6 h LEU 16 CO -0.19 -0.23 0.00 0.11 0.09 0.00 0.00 178.44 178.22 1aw6 h LYS 17 N -0.63 0.00 -5.27 1.13 1.79 -1.59 -3.48 116.57 108.53 1aw6 h LYS 17 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1aw6 h LYS 17 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1aw6 h LYS 17 CO 0.09 0.00 -0.25 1.63 -1.08 0.00 0.00 179.45 179.84 1aw6 n LYS 18 N -3.02 -1.81 -4.03 3.15 5.02 -0.35 -5.06 118.16 112.05 1aw6 n LYS 18 Ca 0.03 1.79 -0.21 0.00 -2.02 0.00 0.00 58.31 57.90 1aw6 n LYS 18 Cb 0.47 -5.62 -0.06 0.00 -0.02 0.00 0.00 35.03 29.80 1aw6 n LYS 18 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1aw6 n LEU 19 N -1.02 0.00 -4.85 -0.35 4.77 -1.06 -5.06 117.00 109.43 1aw6 n LEU 19 Ca 0.06 -2.67 -0.34 0.00 -0.03 0.00 0.00 56.01 53.03 1aw6 n LEU 19 Cb 0.47 0.94 -0.06 0.00 -2.33 0.00 0.00 43.42 42.44 1aw6 n LEU 19 CO 0.49 -0.42 0.30 -0.54 -1.33 0.00 0.00 177.39 175.90 1aw6 s LYS 20 N -3.31 3.98 -0.39 3.23 -0.14 -1.26 -4.87 119.74 116.99 1aw6 s LYS 20 Ca 0.19 0.54 0.03 0.00 -1.36 0.00 0.00 55.97 55.37 1aw6 s LYS 20 Cb 0.01 -2.74 0.16 0.00 -1.68 0.00 0.00 37.83 33.58 1aw6 s LYS 20 CO 0.14 0.35 0.35 0.00 -0.76 0.00 0.00 175.35 175.43 1aw6 n SER 22 N 3.78 0.00 0.00 0.00 3.41 -1.26 -4.89 113.62 114.65 1aw6 n SER 22 Ca 0.16 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 1aw6 n SER 22 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1aw6 n SER 22 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1aw6 n LYS 23 N -0.74 0.00 -1.18 4.33 4.01 -1.26 -4.98 118.16 118.34 1aw6 n LYS 23 Ca 0.04 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.47 1aw6 n LYS 23 Cb 0.02 -2.53 0.03 0.00 -0.51 0.00 0.00 35.03 32.04 1aw6 n LYS 23 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1aw6 n GLU 24 N -2.00 0.04 -4.13 1.97 0.28 -1.26 -4.81 120.64 110.73 1aw6 n GLU 24 Ca 0.00 0.02 -0.15 0.00 -0.16 0.00 0.00 57.16 56.87 1aw6 n GLU 24 Cb 0.00 -1.10 -0.11 0.00 1.43 0.00 0.00 31.44 31.65 1aw6 n GLU 24 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1aw6 s LYS 25 N -1.51 0.73 0.17 3.44 1.02 -1.26 -2.22 119.74 120.10 1aw6 s LYS 25 Ca 0.53 -0.95 -0.12 0.00 0.02 0.00 0.00 55.97 55.46 1aw6 s LYS 25 Cb -0.39 -0.55 0.06 0.00 -0.52 0.00 0.00 37.83 36.43 1aw6 s LYS 25 CO 0.70 0.11 1.68 -1.00 -0.92 0.00 0.00 175.35 175.91 1aw6 h PRO 26 N 4.15 0.92 -5.80 -1.68 0.13 -1.97 -3.48 132.00 124.26 1aw6 h PRO 26 Ca -0.38 -0.22 -0.67 0.00 -0.87 0.00 0.00 66.00 63.86 1aw6 h PRO 26 Cb 1.19 -0.12 -0.10 0.00 0.13 0.00 0.00 31.00 32.10 1aw6 h PRO 26 CO 0.44 0.86 -0.54 0.15 -0.23 0.00 0.00 178.00 178.67 1aw6 s LYS 27 N -5.30 3.24 0.70 0.86 1.02 -1.26 -4.87 119.74 114.12 1aw6 s LYS 27 Ca -0.13 -0.27 -0.11 0.00 0.02 0.00 0.00 55.97 55.48 1aw6 s LYS 27 Cb 0.13 -3.01 0.17 0.00 -0.52 0.00 0.00 37.83 34.59 1aw6 s LYS 27 CO 0.81 0.73 0.38 0.00 -0.92 0.00 0.00 175.35 176.35 1aw6 h ALA 29 N -2.63 1.19 -0.88 0.00 0.00 -1.93 -3.00 119.26 112.01 1aw6 h ALA 29 Ca -0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1aw6 h ALA 29 Cb 0.58 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1aw6 h ALA 29 CO 0.10 0.65 0.00 1.17 0.00 0.00 0.00 179.25 181.17 1aw6 n LYS 30 N -4.37 0.00 -0.36 0.00 3.00 -1.26 -1.95 118.16 113.23 1aw6 n LYS 30 Ca 0.10 0.69 -0.03 0.00 -0.00 0.00 0.00 58.31 59.08 1aw6 n LYS 30 Cb 0.06 -1.35 0.10 0.00 0.00 0.00 0.00 35.03 33.83 1aw6 n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1aw6 h LEU 32 N 1.31 1.01 -0.98 0.00 6.46 -1.55 0.60 115.31 122.15 1aw6 h LEU 32 Ca 0.35 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 58.04 1aw6 h LEU 32 Cb -0.11 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.62 1aw6 h LEU 32 CO -0.07 0.62 -0.42 0.11 -0.62 0.00 0.00 178.44 178.05 1aw6 h LYS 33 N 1.13 0.00 0.00 1.25 1.57 -0.52 -3.16 116.57 116.83 1aw6 h LYS 33 Ca 0.45 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.20 1aw6 h LYS 33 Cb 0.25 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.49 1aw6 h LYS 33 CO -0.20 0.42 -0.56 0.09 -0.57 0.00 0.00 179.45 178.63 1aw6 n ASN 34 N -3.67 1.60 -3.94 0.86 3.02 -0.46 -5.02 115.26 107.63 1aw6 n ASN 34 Ca -0.01 -3.47 -0.41 0.00 -0.03 0.00 0.00 54.58 50.66 1aw6 n ASN 34 Cb 0.51 -0.47 0.03 0.00 -0.61 0.00 0.00 39.78 39.23 1aw6 n ASN 34 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1aw6 n ASN 35 N -0.83 -4.56 -4.75 6.41 2.04 0.20 -4.93 115.26 108.84 1aw6 n ASN 35 Ca 0.16 -1.19 -0.26 0.00 -0.44 0.00 0.00 54.58 52.85 1aw6 n ASN 35 Cb 0.77 -2.16 -0.07 0.00 -2.53 0.00 0.00 39.78 35.79 1aw6 n ASN 35 CO 0.00 0.00 0.00 0.26 -0.44 0.00 0.00 177.26 177.08 1aw6 s TRP 36 N -3.47 2.39 -0.91 -2.53 0.51 -0.80 -5.04 118.94 109.10 1aw6 s TRP 36 Ca 0.46 -0.67 0.00 0.00 -2.12 0.00 0.00 56.10 53.77 1aw6 s TRP 36 Cb -0.23 -1.90 0.32 0.00 -0.81 0.00 0.00 33.47 30.86 1aw6 s TRP 36 CO 0.94 0.14 1.50 -1.91 -0.51 0.00 0.00 176.95 177.11 1aw6 n GLU 37 N -1.28 4.61 -1.51 4.98 4.07 -1.26 -4.83 120.64 125.43 1aw6 n GLU 37 Ca -0.04 -4.70 -0.35 0.00 -0.06 0.00 0.00 57.16 52.01 1aw6 n GLU 37 Cb 0.65 -2.41 -0.15 0.00 -0.06 0.00 0.00 31.44 29.48 1aw6 n GLU 37 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1aw6 s ARG 39 N 8.50 1.64 -0.29 0.00 3.52 -1.26 -4.78 118.95 126.29 1aw6 s ARG 39 Ca 1.28 -2.21 -0.14 0.00 -0.13 0.00 0.00 55.73 54.54 1aw6 s ARG 39 Cb -0.98 -3.05 -0.03 0.00 -1.56 0.00 0.00 34.95 29.32 1aw6 s ARG 39 CO 0.46 -1.06 0.31 1.52 -0.81 0.00 0.00 175.30 175.71 1aw6 s TYR 40 N 0.28 3.23 -0.50 5.12 -0.85 -1.26 -1.92 117.35 121.46 1aw6 s TYR 40 Ca 0.15 0.20 -0.23 0.00 -0.52 0.00 0.00 57.07 56.66 1aw6 s TYR 40 Cb -0.23 -2.53 0.04 0.00 0.38 0.00 0.00 41.96 39.62 1aw6 s TYR 40 CO -0.04 -0.26 0.83 -1.12 -1.52 0.00 0.00 175.55 173.45 1aw6 s SER 41 N 1.70 6.37 0.00 -0.18 0.01 -1.26 -4.98 113.70 115.35 1aw6 s SER 41 Ca 0.11 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1aw6 s SER 41 Cb -0.16 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1aw6 s SER 41 CO 0.11 -1.04 0.43 -0.81 0.41 0.00 0.00 173.24 172.34 1aw6 n PRO 42 N 6.97 0.00 0.00 12.44 -0.04 -1.26 -5.10 135.00 148.00 1aw6 n PRO 42 Ca 0.01 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.60 1aw6 n PRO 42 Cb 0.48 -0.93 0.22 0.00 -0.04 0.00 0.00 33.50 33.23 1aw6 n PRO 42 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63