#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdd n ALA 3 N 0.00 -2.85 0.00 -1.39 0.00 -1.26 -5.00 120.51 110.00 2pdd n ALA 3 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 53.44 54.39 2pdd n ALA 3 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 19.45 16.08 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 -0.37 3.51 -1.53 0.00 2.81 -1.26 -4.59 117.12 115.69 2pdd n MET 4 Ca 0.07 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.65 2pdd n MET 4 Cb 0.51 -0.95 -0.08 0.00 -0.71 0.00 0.00 33.22 31.98 2pdd n MET 4 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2pdd n PRO 5 N -1.88 1.01 -4.24 0.03 -0.05 -1.26 -4.19 135.00 124.43 2pdd n PRO 5 Ca 0.00 -1.95 -0.34 0.00 -0.05 0.00 0.00 63.50 61.16 2pdd n PRO 5 Cb 0.45 -3.42 -0.07 0.00 -0.05 0.00 0.00 33.50 30.41 2pdd n PRO 5 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 2pdd n SER 6 N 13.33 -0.25 0.00 3.54 3.41 -1.26 -4.88 113.62 127.51 2pdd n SER 6 Ca 0.45 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 2pdd n SER 6 Cb 0.45 -1.70 0.00 0.00 -0.26 0.00 0.00 64.21 62.69 2pdd n SER 6 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2pdd n VAL 7 N -4.68 0.00 0.11 -3.33 0.31 -1.26 -4.00 118.33 105.47 2pdd n VAL 7 Ca -0.28 0.13 -0.13 0.00 -0.01 0.00 0.00 64.34 64.05 2pdd n VAL 7 Cb 0.67 -1.01 -0.08 0.00 -0.91 0.00 0.00 33.84 32.51 2pdd n VAL 7 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2pdd h ARG 8 N 0.00 -0.19 -1.00 5.55 2.43 -1.90 -2.43 114.38 116.84 2pdd h ARG 8 Ca 0.00 0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.37 2pdd h ARG 8 Cb 0.00 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 29.49 2pdd h ARG 8 CO 0.00 -0.08 0.61 0.87 -1.51 0.00 0.00 179.97 179.86 2pdd h LYS 9 N -0.24 0.73 -0.42 0.20 1.57 -1.93 0.16 116.57 116.64 2pdd h LYS 9 Ca -0.02 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2pdd h LYS 9 Cb 0.19 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2pdd h LYS 9 CO 0.03 0.48 0.27 -0.92 -0.57 0.00 0.00 179.45 178.74 2pdd h TYR 10 N 0.75 0.51 -0.60 -1.35 3.20 -1.58 -2.15 116.97 115.74 2pdd h TYR 10 Ca 0.58 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.56 2pdd h TYR 10 Cb 0.91 -0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.94 2pdd h TYR 10 CO -0.00 0.31 0.19 0.00 -1.64 0.00 0.00 178.16 177.02 2pdd h ALA 11 N 1.16 0.75 -0.93 1.82 0.00 -0.28 -0.26 119.26 121.53 2pdd h ALA 11 Ca 0.16 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.26 2pdd h ALA 11 Cb -0.04 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2pdd h ALA 11 CO -0.05 -0.24 0.58 0.00 0.00 0.00 0.00 179.25 179.54 2pdd h ARG 12 N 0.35 0.96 -0.33 0.00 2.47 -0.76 0.37 114.38 117.43 2pdd h ARG 12 Ca 0.31 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.95 2pdd h ARG 12 Cb 0.41 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 2pdd h ARG 12 CO -0.34 0.63 0.14 0.93 0.56 0.00 0.00 179.97 181.89 2pdd h GLU 13 N 0.99 0.49 0.00 0.04 5.08 -0.60 -2.29 114.58 118.28 2pdd h GLU 13 Ca 0.43 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2pdd h GLU 13 Cb 0.31 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2pdd h GLU 13 CO -0.22 0.48 0.00 1.63 -1.00 0.00 0.00 179.01 179.90 2pdd n LYS 14 N -4.72 0.00 -0.85 2.33 4.76 -0.75 -4.88 118.16 114.06 2pdd n LYS 14 Ca -0.01 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 2pdd n LYS 14 Cb 0.13 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 2pdd n LYS 14 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pdd n GLY 15 N 1.24 0.87 3.72 0.72 0.00 0.12 -5.00 105.19 106.86 2pdd n GLY 15 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.45 4.05 -0.47 1.61 1.01 -0.52 -4.94 120.40 117.69 2pdd s VAL 16 Ca 0.00 1.49 -0.27 0.00 0.00 0.00 0.00 61.98 63.21 2pdd s VAL 16 Cb 0.00 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.45 2pdd s VAL 16 CO 0.00 0.13 1.00 -0.62 0.00 0.00 0.00 175.10 175.61 2pdd s ASP 17 N 0.95 6.55 0.34 3.32 -1.08 -1.26 -4.28 116.67 121.20 2pdd s ASP 17 Ca 0.58 0.24 0.13 0.00 -0.52 0.00 0.00 52.55 52.97 2pdd s ASP 17 Cb -0.29 -2.49 1.06 0.00 -1.46 0.00 0.00 42.92 39.74 2pdd s ASP 17 CO 0.30 -1.13 1.61 -0.29 0.52 0.00 0.00 175.17 176.18 2pdd h ILE 18 N 6.14 0.14 -0.22 4.11 6.09 -1.93 -1.18 117.51 130.65 2pdd h ILE 18 Ca -0.24 -0.04 0.04 0.00 -1.37 0.00 0.00 64.86 63.25 2pdd h ILE 18 Cb 1.07 0.00 -0.07 0.00 0.47 0.00 0.00 36.82 38.29 2pdd h ILE 18 CO 1.07 0.02 -0.51 -0.09 -3.07 0.00 0.00 178.15 175.56 2pdd h ARG 19 N 0.12 -0.48 0.00 2.19 9.65 -1.92 -0.05 114.38 123.88 2pdd h ARG 19 Ca 0.72 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.64 2pdd h ARG 19 Cb 1.72 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 30.41 2pdd h ARG 19 CO -0.74 -0.32 0.00 -0.07 2.80 0.00 0.00 179.97 181.64 2pdd h LEU 20 N -0.50 0.00 -9.84 3.80 3.38 -1.63 -3.43 115.31 107.10 2pdd h LEU 20 Ca 0.06 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.52 2pdd h LEU 20 Cb 0.65 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.44 2pdd h LEU 20 CO -0.48 0.00 0.56 -0.69 0.09 0.00 0.00 178.44 177.92 2pdd s VAL 21 N -3.95 3.11 -0.44 1.22 1.01 -0.04 -4.99 120.40 116.33 2pdd s VAL 21 Ca -0.04 1.11 0.05 0.00 0.00 0.00 0.00 61.98 63.10 2pdd s VAL 21 Cb 0.11 -3.71 0.18 0.00 0.00 0.00 0.00 36.38 32.96 2pdd s VAL 21 CO 0.35 0.26 0.46 1.67 0.00 0.00 0.00 175.10 177.84 2pdd n GLN 22 N 1.07 0.31 0.00 2.72 0.00 -1.26 -4.52 117.38 115.69 2pdd n GLN 22 Ca -0.00 -2.85 0.00 0.00 -0.00 0.00 0.00 57.00 54.15 2pdd n GLN 22 Cb 0.43 -1.59 0.00 0.00 0.00 0.00 0.00 30.24 29.08 2pdd n GLN 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2pdd n GLY 23 N 2.79 0.20 0.15 1.69 0.00 -1.26 -4.88 105.19 103.89 2pdd n GLY 23 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 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 1.32 -0.76 2.61 1.35 -1.94 -3.46 112.91 112.03 2pdd h THR 24 Ca 0.00 -2.67 0.19 0.00 -0.55 0.00 0.00 66.41 63.38 2pdd h THR 24 Cb 0.00 2.88 -0.23 0.00 -1.73 0.00 0.00 68.15 69.07 2pdd h THR 24 CO 0.00 0.80 0.17 -0.83 -0.25 0.00 0.00 175.52 175.41 2pdd s GLY 25 N -4.55 -0.28 0.00 5.82 0.00 -1.26 -5.01 107.32 102.04 2pdd s GLY 25 Ca -0.08 2.90 0.00 0.00 0.00 0.00 0.00 44.72 47.53 2pdd s GLY 25 CO 0.93 3.43 1.31 0.58 0.00 0.00 0.00 173.10 179.35 2pdd n LYS 26 N 5.15 0.70 -4.42 2.90 2.85 -1.26 -3.49 118.16 120.58 2pdd n LYS 26 Ca -0.08 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.88 2pdd n LYS 26 Cb 0.53 -1.15 -0.05 0.00 -0.65 0.00 0.00 35.03 33.71 2pdd n LYS 26 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2pdd n ASN 27 N 1.51 3.22 0.17 -5.58 2.85 -1.26 -4.95 115.26 111.22 2pdd n ASN 27 Ca 0.00 -3.12 0.04 0.00 -0.11 0.00 0.00 54.58 51.39 2pdd n ASN 27 Cb 0.35 0.24 0.23 0.00 1.24 0.00 0.00 39.78 41.84 2pdd n ASN 27 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2pdd n GLY 28 N -1.20 -0.49 2.09 8.20 0.00 -1.26 -0.28 105.19 112.25 2pdd n GLY 28 Ca -0.16 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.95 2.21 -1.87 1.61 5.12 -1.26 -4.27 116.66 116.26 2pdd n ARG 29 Ca -0.01 -2.49 -0.33 0.00 -1.93 0.00 0.00 57.85 53.10 2pdd n ARG 29 Cb 0.48 -1.97 0.03 0.00 -1.16 0.00 0.00 32.46 29.84 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 -3.41 3.39 0.47 1.55 1.01 0.61 -4.50 120.40 119.53 2pdd s VAL 30 Ca 0.49 0.66 0.07 0.00 0.00 0.00 0.00 61.98 63.20 2pdd s VAL 30 Cb 0.39 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.59 2pdd s VAL 30 CO 0.02 -0.39 0.44 -0.76 0.00 0.00 0.00 175.10 174.42 2pdd s LEU 31 N -4.70 3.19 0.04 3.92 2.01 -1.26 -4.80 118.68 117.07 2pdd s LEU 31 Ca 0.66 -0.88 -0.17 0.00 0.01 0.00 0.00 54.13 53.76 2pdd s LEU 31 Cb -0.19 -1.80 -0.27 0.00 0.01 0.00 0.00 46.19 43.94 2pdd s LEU 31 CO 0.39 -0.86 1.10 0.50 1.01 0.00 0.00 176.35 178.49 2pdd h LYS 32 N 0.83 0.57 0.00 1.70 3.11 -1.96 -2.94 116.57 117.88 2pdd h LYS 32 Ca -0.39 -0.70 0.00 0.00 -2.81 0.00 0.00 60.65 56.75 2pdd h LYS 32 Cb 1.28 0.22 0.00 0.00 -1.00 0.00 0.00 32.23 32.73 2pdd h LYS 32 CO 0.55 1.29 0.00 -1.91 -2.81 0.00 0.00 179.45 176.57 2pdd n GLU 33 N -3.94 0.38 0.17 1.90 2.13 -1.26 -3.01 120.64 117.01 2pdd n GLU 33 Ca -0.12 0.07 -0.12 0.00 0.66 0.00 0.00 57.16 57.65 2pdd n GLU 33 Cb 0.88 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 31.01 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 -0.40 0.03 4.31 1.82 -1.84 -2.77 116.42 117.57 2pdd h ASP 34 Ca 0.00 -0.15 -0.20 0.00 -0.39 0.00 0.00 57.03 56.29 2pdd h ASP 34 Cb 0.11 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.22 2pdd h ASP 34 CO 0.00 0.01 -0.72 0.40 -1.61 0.00 0.00 179.24 177.32 2pdd h ILE 35 N -0.90 1.32 -1.00 2.25 2.04 -1.45 -2.95 117.51 116.82 2pdd h ILE 35 Ca -0.05 -2.01 0.19 0.00 1.00 0.00 0.00 64.86 64.00 2pdd h ILE 35 Cb 0.53 1.99 -0.10 0.00 -0.74 0.00 0.00 36.82 38.50 2pdd h ILE 35 CO 0.08 0.62 0.61 -0.78 0.00 0.00 0.00 178.15 178.69 2pdd h ASP 36 N 0.43 0.74 0.21 1.72 1.82 -1.61 0.45 116.42 120.18 2pdd h ASP 36 Ca -0.03 0.09 -0.13 0.00 -0.39 0.00 0.00 57.03 56.56 2pdd h ASP 36 Cb 1.32 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.28 2pdd h ASP 36 CO 0.14 0.26 -0.50 0.00 -1.61 0.00 0.00 179.24 177.53 2pdd h ALA 37 N 1.64 0.91 -0.10 -0.78 0.00 -1.37 -2.27 119.26 117.30 2pdd h ALA 37 Ca 0.57 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2pdd h ALA 37 Cb 0.95 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2pdd h ALA 37 CO -0.36 0.67 -0.11 0.35 0.00 0.00 0.00 179.25 179.79 2pdd h PHE 38 N 0.26 -0.34 0.09 0.00 3.57 0.07 -3.30 116.94 117.29 2pdd h PHE 38 Ca 0.01 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2pdd h PHE 38 Cb 0.98 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.88 2pdd h PHE 38 CO 0.02 -0.09 -0.04 1.25 -2.23 0.00 0.00 178.31 177.22 2pdd h LEU 39 N -0.07 -0.10 -3.11 0.59 5.85 -1.63 -3.45 115.31 113.40 2pdd h LEU 39 Ca 0.02 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.15 2pdd h LEU 39 Cb 0.11 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 2pdd h LEU 39 CO -0.13 0.03 -0.99 0.00 -0.34 0.00 0.00 178.44 177.02 2pdd n ALA 40 N -2.21 -2.36 0.00 1.25 0.00 -0.85 0.08 120.51 116.42 2pdd n ALA 40 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2pdd n ALA 40 Cb 0.05 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 -2.24 1.01 0.76 0.00 0.00 -1.26 -4.85 105.19 98.62 2pdd n GLY 41 Ca -0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -3.15 0.00 -0.02 0.00 0.11 -5.25 105.19 96.87 2pdd n GLY 42 Ca 0.00 -1.19 0.15 0.00 0.00 0.00 0.00 46.02 44.98 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32