#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aw6 n LYS 2 N 0.00 0.00 -0.35 0.03 5.02 -1.26 -1.59 118.16 120.01 1aw6 n LYS 2 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1aw6 n LYS 2 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1aw6 n LYS 2 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1aw6 n LEU 3 N -0.01 -0.68 -0.04 -0.35 -0.00 -1.26 0.27 117.00 114.94 1aw6 n LEU 3 Ca 0.00 1.53 -0.15 0.00 -0.00 0.00 0.00 56.01 57.39 1aw6 n LEU 3 Cb 0.00 -0.30 -0.09 0.00 -0.00 0.00 0.00 43.42 43.03 1aw6 n LEU 3 CO 0.00 -1.33 0.46 0.25 -0.00 0.00 0.00 177.39 176.77 1aw6 h LEU 4 N 0.00 0.41 0.00 1.47 5.85 -1.81 -3.45 115.31 117.77 1aw6 h LEU 4 Ca 0.25 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1aw6 h LEU 4 Cb 0.47 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1aw6 h LEU 4 CO -0.85 0.96 0.00 -0.24 -0.34 0.00 0.00 178.44 177.97 1aw6 n SER 5 N -4.44 0.00 -2.89 1.25 2.88 0.14 -5.03 113.62 105.54 1aw6 n SER 5 Ca -0.08 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.38 1aw6 n SER 5 Cb 0.48 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.01 1aw6 n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1aw6 n SER 6 N 0.00 -1.79 0.00 -3.46 3.41 -1.21 -4.85 113.62 105.72 1aw6 n SER 6 Ca 0.00 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1aw6 n SER 6 Cb 0.00 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1aw6 n SER 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aw6 n ILE 7 N -3.36 0.00 -1.86 -1.33 0.00 -1.26 -4.27 119.36 107.28 1aw6 n ILE 7 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 62.75 62.47 1aw6 n ILE 7 Cb 0.15 0.00 0.04 0.00 0.00 0.00 0.00 39.64 39.83 1aw6 n ILE 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1aw6 n GLU 8 N -0.04 3.11 -3.24 9.51 -0.00 -1.26 -4.98 120.64 123.74 1aw6 n GLU 8 Ca 0.00 -3.82 -0.39 0.00 -0.00 0.00 0.00 57.16 52.96 1aw6 n GLU 8 Cb 0.00 -2.28 -0.06 0.00 -0.00 0.00 0.00 31.44 29.11 1aw6 n GLU 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 1aw6 s GLN 9 N -3.76 4.27 0.00 3.44 0.74 -1.26 -5.05 119.66 118.04 1aw6 s GLN 9 Ca 0.55 0.70 0.00 0.00 0.05 0.00 0.00 55.36 56.67 1aw6 s GLN 9 Cb 0.45 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 31.24 1aw6 s GLN 9 CO -0.11 0.43 0.00 0.00 -0.55 0.00 0.00 175.29 175.06 1aw6 n ALA 10 N 2.50 0.00 -1.70 1.58 0.00 -1.26 -4.85 120.51 116.78 1aw6 n ALA 10 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.07 1aw6 n ALA 10 Cb 0.51 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.13 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 -1.68 0.87 -0.42 0.00 5.19 -1.72 -3.10 116.42 115.56 1aw6 h ASP 12 Ca -0.46 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 1aw6 h ASP 12 Cb 1.28 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.55 1aw6 h ASP 12 CO 0.47 0.68 0.27 0.40 -3.12 0.00 0.00 179.24 177.93 1aw6 h ILE 13 N 0.99 1.11 0.00 0.35 1.08 -1.86 -1.95 117.51 117.24 1aw6 h ILE 13 Ca 0.26 -0.22 -0.20 0.00 -0.39 0.00 0.00 64.86 64.31 1aw6 h ILE 13 Cb -0.04 0.50 -0.03 0.00 -3.07 0.00 0.00 36.82 34.18 1aw6 h ILE 13 CO -0.05 0.11 -0.95 0.00 -0.69 0.00 0.00 178.15 176.57 1aw6 h ARG 15 N 0.01 -0.83 0.13 0.00 2.43 -1.29 -1.30 114.38 113.52 1aw6 h ARG 15 Ca -0.01 0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1aw6 h ARG 15 Cb 1.68 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.42 1aw6 h ARG 15 CO 0.13 -0.55 -0.06 -0.07 -1.51 0.00 0.00 179.97 177.90 1aw6 h LEU 16 N -0.86 -0.14 -1.17 3.80 -0.00 -1.55 -2.86 115.31 112.53 1aw6 h LEU 16 Ca -0.03 -0.30 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 1aw6 h LEU 16 Cb 0.80 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.50 1aw6 h LEU 16 CO -0.17 0.24 0.00 0.11 -0.00 0.00 0.00 178.44 178.62 1aw6 h LYS 17 N -0.55 0.00 -4.19 1.13 1.57 -1.61 -3.47 116.57 109.45 1aw6 h LYS 17 Ca -0.02 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 1aw6 h LYS 17 Cb 0.44 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.84 1aw6 h LYS 17 CO 0.03 0.00 -0.46 1.63 -0.57 0.00 0.00 179.45 180.08 1aw6 n LYS 18 N -2.75 -4.56 -1.87 3.15 5.02 -0.54 -5.05 118.16 111.55 1aw6 n LYS 18 Ca 0.01 0.53 -0.10 0.00 -2.02 0.00 0.00 58.31 56.74 1aw6 n LYS 18 Cb 0.27 -4.63 0.04 0.00 -0.02 0.00 0.00 35.03 30.69 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 -3.14 0.00 0.00 -0.35 7.99 -0.89 -5.05 117.00 115.56 1aw6 n LEU 19 Ca -0.10 -1.16 0.00 0.00 -0.01 0.00 0.00 56.01 54.74 1aw6 n LEU 19 Cb 0.58 -0.22 0.00 0.00 -0.11 0.00 0.00 43.42 43.67 1aw6 n LEU 19 CO 0.40 -0.62 0.00 2.29 -1.51 0.00 0.00 177.39 177.94 1aw6 n LYS 20 N -1.65 3.08 -2.81 3.23 0.00 -1.26 -4.75 118.16 114.00 1aw6 n LYS 20 Ca 0.08 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.41 1aw6 n LYS 20 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.32 1aw6 n LYS 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1aw6 h SER 22 N 5.56 0.23 0.00 0.00 4.64 -2.00 -3.46 113.55 118.52 1aw6 h SER 22 Ca -0.03 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1aw6 h SER 22 Cb 1.23 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1aw6 h SER 22 CO -0.06 -0.11 0.00 0.29 -0.87 0.00 0.00 176.83 176.08 1aw6 n LYS 23 N -4.57 0.00 -1.38 4.77 5.02 -1.26 -5.04 118.16 115.70 1aw6 n LYS 23 Ca 0.35 0.06 -0.38 0.00 -2.02 0.00 0.00 58.31 56.32 1aw6 n LYS 23 Cb 1.38 -1.83 0.03 0.00 -0.02 0.00 0.00 35.03 34.59 1aw6 n LYS 23 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1aw6 n GLU 24 N -2.57 0.34 -4.14 1.97 0.28 -1.26 -4.87 120.64 110.40 1aw6 n GLU 24 Ca 0.00 0.14 -0.16 0.00 -0.16 0.00 0.00 57.16 56.98 1aw6 n GLU 24 Cb 0.00 -1.51 -0.11 0.00 1.43 0.00 0.00 31.44 31.24 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 -1.86 0.73 0.14 3.44 1.02 -1.26 -2.10 119.74 119.84 1aw6 s LYS 25 Ca 0.65 -0.94 -0.14 0.00 0.02 0.00 0.00 55.97 55.56 1aw6 s LYS 25 Cb -0.44 -0.58 -0.00 0.00 -0.52 0.00 0.00 37.83 36.29 1aw6 s LYS 25 CO 0.58 0.11 1.60 -1.00 -0.92 0.00 0.00 175.35 175.73 1aw6 h PRO 26 N 4.19 0.77 -5.55 -1.68 0.13 -1.99 -3.48 132.00 124.39 1aw6 h PRO 26 Ca -0.38 -0.23 -0.65 0.00 -0.87 0.00 0.00 66.00 63.87 1aw6 h PRO 26 Cb 1.19 -0.08 -0.08 0.00 0.13 0.00 0.00 31.00 32.16 1aw6 h PRO 26 CO 0.43 0.82 -0.47 0.15 -0.23 0.00 0.00 178.00 178.70 1aw6 s LYS 27 N -5.08 3.68 1.13 0.86 1.02 -1.26 -4.91 119.74 115.19 1aw6 s LYS 27 Ca -0.13 -0.13 -0.16 0.00 0.02 0.00 0.00 55.97 55.57 1aw6 s LYS 27 Cb 0.11 -3.26 0.25 0.00 -0.52 0.00 0.00 37.83 34.41 1aw6 s LYS 27 CO 0.80 0.63 0.57 0.00 -0.92 0.00 0.00 175.35 176.44 1aw6 h ALA 29 N -3.09 0.79 0.16 0.00 0.00 -1.99 -3.11 119.26 112.03 1aw6 h ALA 29 Ca -0.26 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1aw6 h ALA 29 Cb 0.88 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1aw6 h ALA 29 CO 0.16 -0.29 -0.08 -0.22 0.00 0.00 0.00 179.25 178.82 1aw6 h LYS 30 N 0.30 -0.20 -0.91 0.00 3.64 -1.99 -1.66 116.57 115.74 1aw6 h LYS 30 Ca 0.34 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.80 1aw6 h LYS 30 Cb 0.51 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.31 1aw6 h LYS 30 CO -0.41 0.16 0.57 0.00 -2.27 0.00 0.00 179.45 177.50 1aw6 h LEU 32 N 1.03 0.70 -0.65 0.00 7.12 -1.46 0.58 115.31 122.63 1aw6 h LEU 32 Ca 0.40 -0.04 -0.13 0.00 0.13 0.00 0.00 57.88 58.24 1aw6 h LEU 32 Cb 0.19 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.13 1aw6 h LEU 32 CO -0.18 0.54 -0.62 0.11 -0.13 0.00 0.00 178.44 178.17 1aw6 h LYS 33 N 0.80 0.00 -0.14 1.25 1.57 -0.26 -3.15 116.57 116.65 1aw6 h LYS 33 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1aw6 h LYS 33 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1aw6 h LYS 33 CO -0.04 0.62 0.00 0.09 -0.57 0.00 0.00 179.45 179.55 1aw6 n ASN 34 N -3.65 2.26 -3.07 0.86 3.02 -0.81 -5.03 115.26 108.83 1aw6 n ASN 34 Ca -0.01 -1.67 -0.14 0.00 -0.03 0.00 0.00 54.58 52.73 1aw6 n ASN 34 Cb 0.65 -0.09 0.02 0.00 -0.61 0.00 0.00 39.78 39.74 1aw6 n ASN 34 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1aw6 n ASN 35 N 0.49 -7.05 -4.17 6.41 4.05 0.19 -5.04 115.26 110.15 1aw6 n ASN 35 Ca 0.08 0.49 -0.26 0.00 0.45 0.00 0.00 54.58 55.34 1aw6 n ASN 35 Cb 0.32 -3.71 -0.08 0.00 1.23 0.00 0.00 39.78 37.53 1aw6 n ASN 35 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 1aw6 s TRP 36 N -1.84 1.80 -0.89 1.20 0.51 -0.58 -5.01 118.94 114.13 1aw6 s TRP 36 Ca 0.20 -1.25 0.00 0.00 -2.12 0.00 0.00 56.10 52.94 1aw6 s TRP 36 Cb -0.04 -1.18 0.31 0.00 -0.81 0.00 0.00 33.47 31.75 1aw6 s TRP 36 CO 0.69 -0.26 1.34 -1.91 -0.51 0.00 0.00 176.95 176.30 1aw6 n GLU 37 N -0.91 4.16 -1.51 4.98 4.07 -1.26 -4.85 120.64 125.32 1aw6 n GLU 37 Ca -0.06 -4.67 -0.34 0.00 -0.06 0.00 0.00 57.16 52.03 1aw6 n GLU 37 Cb 0.65 -2.40 -0.14 0.00 -0.06 0.00 0.00 31.44 29.49 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 8.44 2.23 -0.89 0.00 0.52 -1.26 -4.82 118.95 123.16 1aw6 s ARG 39 Ca 1.25 -2.91 -0.01 0.00 -0.52 0.00 0.00 55.73 53.54 1aw6 s ARG 39 Cb -0.89 -3.40 0.34 0.00 0.52 0.00 0.00 34.95 31.52 1aw6 s ARG 39 CO 0.44 -1.18 1.82 2.48 0.02 0.00 0.00 175.30 178.88 1aw6 n TYR 40 N 2.67 2.98 -1.66 -0.53 0.18 -1.26 -1.99 117.16 117.55 1aw6 n TYR 40 Ca 0.11 -2.57 -0.57 0.00 1.88 0.00 0.00 57.90 56.75 1aw6 n TYR 40 Cb 0.33 -1.09 -0.07 0.00 -0.38 0.00 0.00 39.34 38.14 1aw6 n TYR 40 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1aw6 n SER 41 N -0.31 1.82 0.14 9.48 3.41 -1.26 -4.87 113.62 122.03 1aw6 n SER 41 Ca 0.49 1.11 -0.00 0.00 -0.26 0.00 0.00 58.87 60.20 1aw6 n SER 41 Cb 0.28 -1.11 0.25 0.00 -0.26 0.00 0.00 64.21 63.37 1aw6 n SER 41 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1aw6 h PRO 42 N 5.76 0.08 0.00 4.33 0.13 -2.02 -3.53 132.00 136.76 1aw6 h PRO 42 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1aw6 h PRO 42 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1aw6 h PRO 42 CO 0.88 0.54 0.00 1.63 -0.23 0.00 0.00 178.00 180.81