#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdd n ILE 2 N 0.00 0.00 -0.70 2.52 2.08 -1.26 -4.72 119.36 117.28 2pdd n ILE 2 Ca 0.00 -0.25 -0.05 0.00 0.56 0.00 0.00 62.75 63.01 2pdd n ILE 2 Cb 0.00 -0.50 -0.08 0.00 -0.75 0.00 0.00 39.64 38.31 2pdd n ILE 2 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2pdd n ALA 3 N -4.00 4.93 -0.03 -1.39 0.00 -1.26 -4.17 120.51 114.59 2pdd n ALA 3 Ca 0.02 -0.82 -0.09 0.00 0.00 0.00 0.00 53.44 52.55 2pdd n ALA 3 Cb 0.61 -1.65 -0.14 0.00 0.00 0.00 0.00 19.45 18.28 2pdd n ALA 3 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2pdd n MET 4 N 2.00 0.64 0.00 0.00 2.81 -1.26 -4.12 117.12 117.18 2pdd n MET 4 Ca 0.19 0.27 0.00 0.00 -1.81 0.00 0.00 57.70 56.35 2pdd n MET 4 Cb 0.66 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 2pdd n MET 4 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2pdd n PRO 5 N -3.01 1.86 -0.06 0.03 -0.02 -1.26 -4.64 135.00 127.90 2pdd n PRO 5 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2pdd n PRO 5 Cb 1.06 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.54 2pdd n PRO 5 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2pdd n SER 6 N 0.00 2.09 -0.02 2.55 7.64 -1.26 -3.97 113.62 120.65 2pdd n SER 6 Ca 0.00 -1.33 -0.01 0.00 1.01 0.00 0.00 58.87 58.54 2pdd n SER 6 Cb 0.00 -0.38 -0.00 0.00 -1.01 0.00 0.00 64.21 62.82 2pdd n SER 6 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2pdd h VAL 7 N 0.61 0.00 -0.35 0.44 2.07 -1.82 -3.04 116.25 114.16 2pdd h VAL 7 Ca 0.00 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 2pdd h VAL 7 Cb 0.60 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2pdd h VAL 7 CO 0.00 0.00 -0.00 -0.09 0.02 0.00 0.00 177.57 177.50 2pdd h ARG 8 N -0.74 0.62 -0.88 1.57 2.43 -1.72 -2.71 114.38 112.95 2pdd h ARG 8 Ca -0.01 -0.20 0.18 0.00 -0.81 0.00 0.00 59.98 59.15 2pdd h ARG 8 Cb 0.04 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.47 2pdd h ARG 8 CO 0.01 0.74 0.58 0.87 -1.51 0.00 0.00 179.97 180.66 2pdd h LYS 9 N 0.43 0.45 -0.01 0.20 1.57 -1.78 0.24 116.57 117.68 2pdd h LYS 9 Ca 0.10 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2pdd h LYS 9 Cb 0.46 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 2pdd h LYS 9 CO 0.02 0.30 0.01 -0.92 -0.57 0.00 0.00 179.45 178.29 2pdd h TYR 10 N 0.47 0.02 -0.79 -1.35 3.20 -1.36 -1.29 116.97 115.87 2pdd h TYR 10 Ca 0.46 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.47 2pdd h TYR 10 Cb 1.04 -0.01 -0.10 0.00 1.54 0.00 0.00 36.73 39.20 2pdd h TYR 10 CO -0.00 0.15 0.35 0.00 -1.64 0.00 0.00 178.16 177.02 2pdd h ALA 11 N 0.86 1.15 -0.28 1.82 0.00 -0.89 -0.53 119.26 121.40 2pdd h ALA 11 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2pdd h ALA 11 Cb 0.14 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2pdd h ALA 11 CO -0.00 -0.18 0.17 0.00 0.00 0.00 0.00 179.25 179.24 2pdd h ARG 12 N 0.50 0.38 -0.23 0.00 3.08 -0.89 0.98 114.38 118.20 2pdd h ARG 12 Ca 0.44 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.51 2pdd h ARG 12 Cb 0.66 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.56 2pdd h ARG 12 CO -0.40 0.29 -0.28 0.93 -1.07 0.00 0.00 179.97 179.44 2pdd h GLU 13 N 0.36 -0.29 0.00 0.04 5.08 0.06 -1.02 114.58 118.81 2pdd h GLU 13 Ca 0.10 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2pdd h GLU 13 Cb 0.01 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2pdd h GLU 13 CO -0.02 -0.19 -0.38 1.57 -1.00 0.00 0.00 179.01 178.99 2pdd h LYS 14 N -0.30 0.00 -1.10 2.33 2.10 -1.26 -3.48 116.57 114.86 2pdd h LYS 14 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 2pdd h LYS 14 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 2pdd h LYS 14 CO -0.40 0.38 0.00 0.41 -2.00 0.00 0.00 179.45 177.84 2pdd n GLY 15 N 0.78 0.39 3.19 0.07 0.00 0.31 -5.10 105.19 104.83 2pdd n GLY 15 Ca 0.01 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 2pdd n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pdd s VAL 16 N -2.23 0.04 -0.51 1.61 1.01 0.51 -4.98 120.40 115.84 2pdd s VAL 16 Ca 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.47 2pdd s VAL 16 Cb 0.00 -0.50 0.05 0.00 0.00 0.00 0.00 36.38 35.93 2pdd s VAL 16 CO 0.00 -0.16 0.75 -0.62 0.00 0.00 0.00 175.10 175.07 2pdd s ASP 17 N -0.68 6.28 0.34 3.32 -1.08 -1.26 -4.27 116.67 119.32 2pdd s ASP 17 Ca -0.08 -0.62 0.13 0.00 -0.52 0.00 0.00 52.55 51.47 2pdd s ASP 17 Cb -0.04 -2.35 1.09 0.00 -1.46 0.00 0.00 42.92 40.16 2pdd s ASP 17 CO 0.02 -1.01 1.61 -0.29 0.52 0.00 0.00 175.17 176.03 2pdd h ILE 18 N 5.93 0.13 0.02 4.11 2.10 -1.94 -0.90 117.51 126.95 2pdd h ILE 18 Ca -0.27 -0.04 0.02 0.00 1.08 0.00 0.00 64.86 65.65 2pdd h ILE 18 Cb 1.09 -0.00 -0.05 0.00 -1.09 0.00 0.00 36.82 36.76 2pdd h ILE 18 CO 1.00 0.02 -0.50 0.03 -1.08 0.00 0.00 178.15 177.62 2pdd h ARG 19 N 0.12 -0.62 0.00 2.19 3.08 -1.91 0.15 114.38 117.39 2pdd h ARG 19 Ca 0.74 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.83 2pdd h ARG 19 Cb 1.76 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.95 2pdd h ARG 19 CO -0.74 -0.41 0.37 -0.07 -1.07 0.00 0.00 179.97 178.05 2pdd h LEU 20 N -0.64 0.00 -9.82 3.04 3.38 -1.58 -3.41 115.31 106.28 2pdd h LEU 20 Ca 0.01 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.47 2pdd h LEU 20 Cb 0.68 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.46 2pdd h LEU 20 CO -0.33 0.00 0.52 -0.69 0.09 0.00 0.00 178.44 178.03 2pdd s VAL 21 N -3.80 3.29 -0.36 1.22 1.01 0.04 -4.97 120.40 116.83 2pdd s VAL 21 Ca -0.02 1.29 0.14 0.00 0.00 0.00 0.00 61.98 63.39 2pdd s VAL 21 Cb 0.06 -3.82 0.40 0.00 0.00 0.00 0.00 36.38 33.02 2pdd s VAL 21 CO 0.20 0.30 0.84 1.67 0.00 0.00 0.00 175.10 178.12 2pdd n GLN 22 N 1.14 1.20 0.00 2.72 7.27 -1.26 -4.47 117.38 123.97 2pdd n GLN 22 Ca -0.01 -3.41 0.00 0.00 0.07 0.00 0.00 57.00 53.65 2pdd n GLN 22 Cb 0.44 -1.54 0.00 0.00 2.41 0.00 0.00 30.24 31.55 2pdd n GLN 22 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2pdd n GLY 23 N 0.09 -0.52 0.17 1.69 0.00 -1.26 -4.69 105.19 100.67 2pdd n GLY 23 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 2pdd n GLY 23 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pdd h THR 24 N 0.00 1.33 -1.19 2.61 1.35 -1.94 -3.45 112.91 111.62 2pdd h THR 24 Ca 0.00 -1.41 0.15 0.00 -0.55 0.00 0.00 66.41 64.60 2pdd h THR 24 Cb 0.00 1.76 -0.24 0.00 -1.73 0.00 0.00 68.15 67.94 2pdd h THR 24 CO 0.00 0.43 0.20 -0.83 -0.25 0.00 0.00 175.52 175.08 2pdd s GLY 25 N -3.58 -0.23 -1.00 5.82 0.00 -1.26 -5.04 107.32 102.02 2pdd s GLY 25 Ca -0.13 2.98 -0.15 0.00 0.00 0.00 0.00 44.72 47.42 2pdd s GLY 25 CO 0.79 3.13 2.12 1.17 0.00 0.00 0.00 173.10 180.31 2pdd n LYS 26 N 4.86 2.08 -0.68 2.90 4.81 -1.26 -3.63 118.16 127.24 2pdd n LYS 26 Ca -0.11 -1.87 0.00 0.00 -0.87 0.00 0.00 58.31 55.46 2pdd n LYS 26 Cb 0.53 -2.82 0.00 0.00 0.02 0.00 0.00 35.03 32.75 2pdd n LYS 26 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2pdd n ASN 27 N 5.93 0.00 0.00 3.14 0.23 -1.26 -4.96 115.26 118.34 2pdd n ASN 27 Ca 0.51 -0.49 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 2pdd n ASN 27 Cb 0.30 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 2pdd n ASN 27 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pdd n GLY 28 N 0.00 -0.31 2.18 4.83 0.00 -1.26 -0.46 105.19 110.17 2pdd n GLY 28 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2pdd n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pdd n ARG 29 N -1.30 2.27 -2.86 1.61 5.12 -1.26 -4.38 116.66 115.86 2pdd n ARG 29 Ca 0.00 -3.05 -0.37 0.00 -1.93 0.00 0.00 57.85 52.50 2pdd n ARG 29 Cb 0.16 -2.17 -0.06 0.00 -1.16 0.00 0.00 32.46 29.23 2pdd n ARG 29 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2pdd s VAL 30 N -3.45 4.28 0.48 1.55 1.01 0.39 -4.39 120.40 120.28 2pdd s VAL 30 Ca 0.57 1.74 0.06 0.00 0.00 0.00 0.00 61.98 64.34 2pdd s VAL 30 Cb 0.48 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 2pdd s VAL 30 CO 0.09 0.22 0.25 -0.76 0.00 0.00 0.00 175.10 174.90 2pdd s LEU 31 N -1.89 2.84 0.20 3.92 1.02 -1.26 -4.82 118.68 118.69 2pdd s LEU 31 Ca 0.47 -1.21 0.02 0.00 0.02 0.00 0.00 54.13 53.42 2pdd s LEU 31 Cb -0.19 -1.27 0.13 0.00 0.02 0.00 0.00 46.19 44.87 2pdd s LEU 31 CO 0.24 -0.82 1.48 0.50 0.02 0.00 0.00 176.35 177.77 2pdd h LYS 32 N 1.13 0.30 0.00 1.70 3.64 -1.96 -2.34 116.57 119.03 2pdd h LYS 32 Ca -0.41 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 58.74 2pdd h LYS 32 Cb 1.28 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2pdd h LYS 32 CO 0.65 0.88 0.00 -1.91 -2.27 0.00 0.00 179.45 176.80 2pdd n GLU 33 N -3.82 0.14 0.07 1.90 2.13 -1.26 -2.51 120.64 117.29 2pdd n GLU 33 Ca -0.03 0.25 -0.13 0.00 0.66 0.00 0.00 57.16 57.91 2pdd n GLU 33 Cb 0.69 -1.71 -0.08 0.00 0.27 0.00 0.00 31.44 30.61 2pdd n GLU 33 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2pdd h ASP 34 N 0.00 -0.12 0.62 4.31 1.82 -1.72 -2.55 116.42 118.77 2pdd h ASP 34 Ca 0.00 -0.16 -0.19 0.00 -0.39 0.00 0.00 57.03 56.29 2pdd h ASP 34 Cb 0.47 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.50 2pdd h ASP 34 CO 0.00 0.09 -0.84 0.40 -1.61 0.00 0.00 179.24 177.28 2pdd h ILE 35 N -0.34 1.51 -0.98 2.25 2.04 -1.35 -3.11 117.51 117.53 2pdd h ILE 35 Ca -0.01 -2.61 0.16 0.00 1.00 0.00 0.00 64.86 63.39 2pdd h ILE 35 Cb 0.28 2.44 -0.10 0.00 -0.74 0.00 0.00 36.82 38.70 2pdd h ILE 35 CO 0.02 0.76 0.59 -0.78 0.00 0.00 0.00 178.15 178.74 2pdd h ASP 36 N 0.09 0.80 0.16 1.72 3.58 -1.37 0.23 116.42 121.62 2pdd h ASP 36 Ca -0.03 0.08 -0.14 0.00 0.42 0.00 0.00 57.03 57.35 2pdd h ASP 36 Cb 1.46 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.43 2pdd h ASP 36 CO 0.12 0.35 -0.53 0.00 -2.88 0.00 0.00 179.24 176.30 2pdd h ALA 37 N 1.59 0.83 -0.25 -0.78 0.00 -1.40 -2.44 119.26 116.81 2pdd h ALA 37 Ca 0.53 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pdd h ALA 37 Cb 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2pdd h ALA 37 CO -0.34 0.68 0.00 0.34 0.00 0.00 0.00 179.25 179.94 2pdd n PHE 38 N -3.95 0.00 0.09 0.00 7.35 0.79 0.31 117.46 122.05 2pdd n PHE 38 Ca -0.02 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.54 2pdd n PHE 38 Cb 0.58 -0.46 -0.08 0.00 0.35 0.00 0.00 39.48 39.87 2pdd n PHE 38 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2pdd h LEU 39 N 0.00 -0.23 -0.22 -2.13 5.85 -1.66 -2.82 115.31 114.11 2pdd h LEU 39 Ca 0.00 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2pdd h LEU 39 Cb 0.00 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2pdd h LEU 39 CO 0.00 0.24 0.33 0.00 -0.34 0.00 0.00 178.44 178.66 2pdd n ALA 40 N -2.49 0.45 -3.91 1.25 0.00 -0.92 -4.72 120.51 110.17 2pdd n ALA 40 Ca -0.09 0.03 -0.27 0.00 0.00 0.00 0.00 53.44 53.12 2pdd n ALA 40 Cb 0.26 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2pdd n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pdd n GLY 41 N -1.24 -0.33 2.08 0.00 0.00 0.15 -3.83 105.19 102.02 2pdd n GLY 41 Ca -0.00 0.15 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 2pdd n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pdd n GLY 42 N -1.72 -3.60 0.00 -0.02 0.00 -1.02 -5.06 105.19 93.77 2pdd n GLY 42 Ca -0.18 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32