#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwa s ALA 2 N 0.00 3.30 0.00 3.04 0.00 -1.26 -5.07 121.76 121.77 2wwa s ALA 2 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.79 2wwa s ALA 2 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2wwa s ALA 2 CO 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 175.76 175.64 2wwa n ALA 3 N -1.52 0.00 -2.92 0.00 0.00 -1.26 -5.02 120.51 109.78 2wwa n ALA 3 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.03 2wwa n ALA 3 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 2wwa n ALA 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2wwa s GLN 4 N 4.36 3.54 1.12 0.00 2.00 -1.26 -4.94 119.66 124.48 2wwa s GLN 4 Ca 0.00 -1.66 0.00 0.00 -2.00 0.00 0.00 55.36 51.70 2wwa s GLN 4 Cb 0.00 -4.83 0.00 0.00 0.80 0.00 0.00 33.01 28.98 2wwa s GLN 4 CO 0.00 -1.77 0.00 1.63 -0.50 0.00 0.00 175.29 174.65 2wwa n LYS 5 N 6.67 0.00 0.00 1.67 4.76 -1.26 -4.91 118.16 125.09 2wwa n LYS 5 Ca 0.20 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 2wwa n LYS 5 Cb 0.49 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 2wwa n LYS 5 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wwa n SER 6 N 1.22 0.00 0.02 4.39 2.88 -1.26 -4.95 113.62 115.92 2wwa n SER 6 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 2wwa n SER 6 Cb 0.00 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 63.71 2wwa n SER 6 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2wwa h PHE 7 N 0.00 0.51 -0.69 0.66 3.57 -2.02 -3.25 116.94 115.72 2wwa h PHE 7 Ca 0.00 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.45 2wwa h PHE 7 Cb 0.00 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 2wwa h PHE 7 CO 0.00 0.61 0.45 -0.09 -2.23 0.00 0.00 178.31 177.05 2wwa h ARG 8 N 0.44 0.80 -0.81 1.11 2.43 -1.97 -1.91 114.38 114.47 2wwa h ARG 8 Ca 0.08 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2wwa h ARG 8 Cb 0.52 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 2wwa h ARG 8 CO 0.03 0.53 0.37 0.82 -1.51 0.00 0.00 179.97 180.21 2wwa h ILE 9 N 0.83 1.26 -0.61 1.20 2.04 -1.91 -2.60 117.51 117.72 2wwa h ILE 9 Ca 0.27 -0.76 -0.08 0.00 1.00 0.00 0.00 64.86 65.29 2wwa h ILE 9 Cb 0.07 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 2wwa h ILE 9 CO -0.08 0.32 0.05 0.50 0.00 0.00 0.00 178.15 178.94 2wwa h LYS 10 N 1.17 1.02 -0.45 2.37 3.64 -1.51 -3.26 116.57 119.56 2wwa h LYS 10 Ca 0.28 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2wwa h LYS 10 Cb 0.15 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2wwa h LYS 10 CO -0.03 0.97 0.07 1.96 -2.27 0.00 0.00 179.45 180.16 2wwa h GLN 11 N 0.95 0.69 -0.01 1.90 4.20 -1.18 -2.42 115.11 119.24 2wwa h GLN 11 Ca 0.18 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2wwa h GLN 11 Cb 0.48 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2wwa h GLN 11 CO 0.02 0.66 -0.24 0.36 -0.67 0.00 0.00 178.83 178.95 2wwa n LYS 12 N -4.28 0.95 -0.00 1.46 2.85 -1.12 -2.66 118.16 115.36 2wwa n LYS 12 Ca 0.03 -0.58 0.08 0.00 -1.05 0.00 0.00 58.31 56.80 2wwa n LYS 12 Cb 0.23 -1.49 -0.12 0.00 -0.65 0.00 0.00 35.03 33.01 2wwa n LYS 12 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2wwa n MET 13 N -0.52 0.98 0.02 -1.58 2.81 -1.14 -3.48 117.12 114.21 2wwa n MET 13 Ca 0.13 -0.07 -0.17 0.00 -1.81 0.00 0.00 57.70 55.77 2wwa n MET 13 Cb 0.36 -1.36 -0.07 0.00 -0.71 0.00 0.00 33.22 31.43 2wwa n MET 13 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wwa h ALA 14 N 2.09 0.26 -0.60 3.04 0.00 -1.30 -2.88 119.26 119.87 2wwa h ALA 14 Ca 0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.16 2wwa h ALA 14 Cb 0.58 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2wwa h ALA 14 CO 0.00 0.71 0.04 -0.22 0.00 0.00 0.00 179.25 179.78 2wwa h LYS 15 N 0.41 1.03 -0.50 0.00 3.64 -1.67 -3.17 116.57 116.31 2wwa h LYS 15 Ca -0.09 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 58.95 2wwa h LYS 15 Cb 1.56 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.25 2wwa h LYS 15 CO 0.18 1.00 0.17 0.00 -2.27 0.00 0.00 179.45 178.52 2wwa h ALA 16 N 1.00 1.35 -0.53 5.00 0.00 -1.59 -1.15 119.26 123.34 2wwa h ALA 16 Ca 0.18 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2wwa h ALA 16 Cb 0.50 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2wwa h ALA 16 CO 0.02 0.47 0.08 -0.22 0.00 0.00 0.00 179.25 179.61 2wwa h LYS 17 N 0.72 0.89 -0.48 0.00 3.11 -1.48 -2.27 116.57 117.05 2wwa h LYS 17 Ca 0.17 -0.24 -0.12 0.00 -2.81 0.00 0.00 60.65 57.65 2wwa h LYS 17 Cb 0.20 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.31 2wwa h LYS 17 CO -0.01 0.87 -0.18 -0.22 -2.81 0.00 0.00 179.45 177.10 2wwa h LYS 18 N 0.77 0.95 0.00 1.90 3.11 -1.48 -3.22 116.57 118.59 2wwa h LYS 18 Ca 0.16 -0.38 0.00 0.00 -2.81 0.00 0.00 60.65 57.62 2wwa h LYS 18 Cb 0.42 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.60 2wwa h LYS 18 CO 0.01 1.04 0.00 0.37 -2.81 0.00 0.00 179.45 178.06 2wwa h GLN 19 N 0.83 0.00 -6.31 1.90 5.75 -1.03 -3.46 115.11 112.79 2wwa h GLN 19 Ca 0.12 0.00 -0.60 0.00 -0.15 0.00 0.00 58.65 58.02 2wwa h GLN 19 Cb 0.74 0.00 0.16 0.00 1.07 0.00 0.00 27.48 29.45 2wwa h GLN 19 CO 0.06 0.00 -0.58 -1.71 -2.65 0.00 0.00 178.83 173.95 2wwa n ASN 20 N -2.33 -1.62 -4.23 -0.69 2.85 -0.87 -5.00 115.26 103.37 2wwa n ASN 20 Ca 0.04 0.79 -0.37 0.00 -0.11 0.00 0.00 54.58 54.93 2wwa n ASN 20 Cb 0.37 -1.07 -0.12 0.00 1.24 0.00 0.00 39.78 40.20 2wwa n ASN 20 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2wwa s ARG 21 N -1.62 2.48 0.00 1.20 0.52 -1.26 -4.81 118.95 115.47 2wwa s ARG 21 Ca 0.64 -1.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 2wwa s ARG 21 Cb -0.52 -3.47 0.00 0.00 0.52 0.00 0.00 34.95 31.48 2wwa s ARG 21 CO 0.59 -0.76 0.00 -2.30 0.02 0.00 0.00 175.30 172.84 2wwa n PRO 22 N 4.75 -0.25 0.01 3.54 -0.02 -1.26 -5.08 135.00 136.69 2wwa n PRO 22 Ca -0.11 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2wwa n PRO 22 Cb 0.44 -0.23 0.00 0.00 -0.02 0.00 0.00 33.50 33.69 2wwa n PRO 22 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2wwa n LEU 23 N 1.58 -0.11 0.00 2.45 -0.00 -1.26 -5.12 117.00 114.54 2wwa n LEU 23 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 2wwa n LEU 23 Cb 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 2wwa n LEU 23 CO 0.00 -0.07 0.00 -2.65 -0.00 0.00 0.00 177.39 174.67 2wwa n PRO 24 N -2.23 -1.15 0.00 1.96 -0.02 -1.26 -5.03 135.00 127.27 2wwa n PRO 24 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2wwa n PRO 24 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2wwa n PRO 24 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2wwa n GLN 25 N -1.53 3.10 0.12 -0.52 0.00 -1.26 -4.73 117.38 112.56 2wwa n GLN 25 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.00 57.13 2wwa n GLN 25 Cb 0.00 -0.30 0.44 0.00 0.00 0.00 0.00 30.24 30.38 2wwa n GLN 25 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.06 174.39 2wwa n TRP 26 N -0.10 0.91 0.16 3.69 4.27 -1.26 -2.41 117.44 122.69 2wwa n TRP 26 Ca 0.00 0.30 0.11 0.00 -3.89 0.00 0.00 57.50 54.02 2wwa n TRP 26 Cb 0.00 -0.99 -0.14 0.00 -1.36 0.00 0.00 31.31 28.82 2wwa n TRP 26 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 2wwa n ILE 27 N -2.27 0.06 0.24 -1.67 0.13 -1.26 -3.95 119.36 110.63 2wwa n ILE 27 Ca 0.04 -0.43 0.13 0.00 -1.10 0.00 0.00 62.75 61.39 2wwa n ILE 27 Cb 0.35 0.11 0.46 0.00 -0.84 0.00 0.00 39.64 39.72 2wwa n ILE 27 CO 0.00 0.00 0.00 -0.09 2.80 0.00 0.00 176.55 179.26 2wwa h ARG 28 N 0.00 0.00 -0.49 9.51 2.43 -1.77 -2.23 114.38 121.83 2wwa h ARG 28 Ca 0.00 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 2wwa h ARG 28 Cb 0.92 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2wwa h ARG 28 CO 0.00 0.11 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.32 2wwa h LEU 29 N 0.00 1.00 -2.80 3.80 3.38 -1.68 -3.33 115.31 115.69 2wwa h LEU 29 Ca -0.00 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2wwa h LEU 29 Cb 0.75 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2wwa h LEU 29 CO 0.01 1.15 0.00 0.54 0.09 0.00 0.00 178.44 180.24 2wwa n ARG 30 N -4.15 3.03 -4.27 1.13 5.12 -0.87 -4.84 116.66 111.80 2wwa n ARG 30 Ca 0.00 -2.68 -0.15 0.00 -1.93 0.00 0.00 57.85 53.10 2wwa n ARG 30 Cb 0.43 -1.68 -0.10 0.00 -1.16 0.00 0.00 32.46 29.96 2wwa n ARG 30 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2wwa s THR 31 N -1.32 0.57 -0.85 0.55 -4.23 -1.04 -5.04 115.64 104.29 2wwa s THR 31 Ca 0.49 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 58.98 2wwa s THR 31 Cb 0.28 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.75 2wwa s THR 31 CO 0.30 -0.24 0.49 0.59 -0.54 0.00 0.00 174.62 175.23 2wwa n ASN 32 N -0.34 -4.34 -0.09 3.99 3.02 -1.26 -4.85 115.26 111.39 2wwa n ASN 32 Ca -0.03 -0.23 -0.09 0.00 -0.03 0.00 0.00 54.58 54.21 2wwa n ASN 32 Cb 0.65 -3.09 -0.15 0.00 -0.61 0.00 0.00 39.78 36.58 2wwa n ASN 32 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2wwa n ASN 33 N -0.87 0.46 -2.35 6.41 0.23 -1.26 -5.05 115.26 112.83 2wwa n ASN 33 Ca -0.04 0.00 -0.19 0.00 -0.53 0.00 0.00 54.58 53.83 2wwa n ASN 33 Cb 0.55 0.98 0.02 0.00 -2.08 0.00 0.00 39.78 39.25 2wwa n ASN 33 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2wwa n THR 34 N -2.67 -1.98 -0.05 5.53 -2.24 -1.26 -4.67 114.28 106.94 2wwa n THR 34 Ca -0.29 0.08 -0.02 0.00 -2.27 0.00 0.00 64.05 61.55 2wwa n THR 34 Cb 1.08 -1.92 -0.00 0.00 -2.10 0.00 0.00 70.33 67.39 2wwa n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wwa n ILE 35 N 0.08 0.00 -3.60 2.28 3.06 -1.26 -5.01 119.36 114.91 2wwa n ILE 35 Ca -0.04 -0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.10 2wwa n ILE 35 Cb 0.37 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.51 2wwa n ILE 35 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 2wwa s ARG 36 N -0.00 1.17 0.00 9.51 6.06 -1.26 -5.31 118.95 129.12 2wwa s ARG 36 Ca 0.03 -0.68 0.00 0.00 -2.50 0.00 0.00 55.73 52.58 2wwa s ARG 36 Cb -0.04 0.51 0.00 0.00 0.06 0.00 0.00 34.95 35.47 2wwa s ARG 36 CO 0.02 -0.48 0.00 0.98 -2.50 0.00 0.00 175.30 173.32