#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6i n GLY 2 N 0.00 3.91 3.64 -5.12 0.00 -1.26 -5.17 105.19 101.19 2k6i n GLY 2 Ca 0.00 -1.33 -0.06 0.00 0.00 0.00 0.00 46.02 44.63 2k6i n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6i s VAL 3 N -2.00 0.00 -0.83 1.61 0.11 -1.26 -5.09 120.40 112.95 2k6i s VAL 3 Ca 0.00 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.80 2k6i s VAL 3 Cb 0.00 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.77 2k6i s VAL 3 CO 0.00 0.00 2.12 -0.55 -3.33 0.00 0.00 175.10 173.34 2k6i s SER 4 N 0.16 4.68 -0.48 3.54 0.15 -1.26 -4.76 113.70 115.74 2k6i s SER 4 Ca 0.05 -0.28 0.03 0.00 0.70 0.00 0.00 55.95 56.45 2k6i s SER 4 Cb -0.05 -2.55 0.56 0.00 -1.71 0.00 0.00 66.02 62.27 2k6i s SER 4 CO -0.11 -3.12 1.83 1.33 1.20 0.00 0.00 173.24 174.36 2k6i n VAL 5 N 8.16 3.18 0.27 4.45 0.24 -1.26 -4.61 118.33 128.75 2k6i n VAL 5 Ca 0.41 -2.53 0.15 0.00 -2.04 0.00 0.00 64.34 60.32 2k6i n VAL 5 Cb 0.46 -0.70 0.85 0.00 -1.47 0.00 0.00 33.84 32.99 2k6i n VAL 5 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 2k6i h MET 6 N 1.38 0.00 0.00 7.34 0.00 -2.02 -2.16 114.93 119.47 2k6i h MET 6 Ca 0.54 0.00 -0.19 0.00 0.00 0.00 0.00 59.70 60.04 2k6i h MET 6 Cb 1.95 0.00 -0.04 0.00 0.00 0.00 0.00 31.60 33.51 2k6i h MET 6 CO 1.10 0.00 -1.93 -0.85 0.00 0.00 0.00 176.91 175.24 2k6i n GLU 7 N -3.95 1.30 0.01 1.72 0.28 -1.26 -4.46 120.64 114.28 2k6i n GLU 7 Ca -0.02 -0.04 -0.11 0.00 -0.16 0.00 0.00 57.16 56.82 2k6i n GLU 7 Cb 0.15 -1.38 -0.06 0.00 1.43 0.00 0.00 31.44 31.58 2k6i n GLU 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k6i h ALA 8 N 0.92 0.07 -0.28 -1.84 0.00 -1.75 0.21 119.26 116.60 2k6i h ALA 8 Ca -0.29 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.69 2k6i h ALA 8 Cb 1.58 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2k6i h ALA 8 CO 0.02 -0.42 0.21 0.82 0.00 0.00 0.00 179.25 179.87 2k6i h ILE 9 N 0.06 0.79 -0.58 0.00 1.08 -1.65 -1.53 117.51 115.68 2k6i h ILE 9 Ca 0.02 0.00 -0.42 0.00 -0.39 0.00 0.00 64.86 64.07 2k6i h ILE 9 Cb 0.02 0.85 -0.32 0.00 -3.07 0.00 0.00 36.82 34.30 2k6i h ILE 9 CO -0.00 0.00 -0.63 2.29 -0.69 0.00 0.00 178.15 179.12 2k6i n LYS 10 N -4.34 3.05 -2.21 2.37 2.85 -0.82 -4.90 118.16 114.16 2k6i n LYS 10 Ca 0.04 -3.89 -0.42 0.00 -1.05 0.00 0.00 58.31 52.98 2k6i n LYS 10 Cb 0.37 -2.12 0.00 0.00 -0.65 0.00 0.00 35.03 32.63 2k6i n LYS 10 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2k6i n GLU 11 N -0.83 3.82 -1.87 -1.58 2.13 0.66 -4.96 120.64 118.00 2k6i n GLU 11 Ca 0.39 -3.45 -0.34 0.00 0.66 0.00 0.00 57.16 54.43 2k6i n GLU 11 Cb 0.90 -2.87 0.04 0.00 0.27 0.00 0.00 31.44 29.78 2k6i n GLU 11 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2k6i s VAL 12 N 0.17 3.15 -0.22 6.31 -7.23 -1.26 -4.97 120.40 116.34 2k6i s VAL 12 Ca 0.44 0.58 0.12 0.00 -1.81 0.00 0.00 61.98 61.31 2k6i s VAL 12 Cb 0.12 -3.13 0.45 0.00 0.56 0.00 0.00 36.38 34.38 2k6i s VAL 12 CO -0.02 -0.28 1.34 0.29 -0.31 0.00 0.00 175.10 176.11 2k6i n LYS 13 N -2.13 1.84 -0.03 4.82 4.76 -1.26 -4.61 118.16 121.55 2k6i n LYS 13 Ca 0.11 -3.06 -0.19 0.00 -2.87 0.00 0.00 58.31 52.30 2k6i n LYS 13 Cb 0.52 -1.71 -0.14 0.00 -1.84 0.00 0.00 35.03 31.86 2k6i n LYS 13 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2k6i n LEU 14 N -1.08 2.45 -0.26 -0.35 4.32 -1.26 -4.23 117.00 116.59 2k6i n LEU 14 Ca 0.25 0.13 0.08 0.00 -0.02 0.00 0.00 56.01 56.45 2k6i n LEU 14 Cb 0.85 -0.88 0.32 0.00 -1.62 0.00 0.00 43.42 42.09 2k6i n LEU 14 CO 0.09 0.82 1.23 0.00 -1.22 0.00 0.00 177.39 178.31 2k6i h ALA 15 N 0.18 1.69 -0.80 -1.18 0.00 -2.02 -0.96 119.26 116.17 2k6i h ALA 15 Ca -0.46 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.46 2k6i h ALA 15 Cb 2.01 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.57 2k6i h ALA 15 CO 0.04 0.14 0.53 0.93 0.00 0.00 0.00 179.25 180.89 2k6i h GLU 16 N 0.82 1.03 -0.03 0.00 4.39 -1.88 -1.02 114.58 117.89 2k6i h GLU 16 Ca 0.39 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 60.04 2k6i h GLU 16 Cb 0.42 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2k6i h GLU 16 CO -0.16 0.68 0.03 1.49 -1.16 0.00 0.00 179.01 179.90 2k6i h GLU 17 N 1.07 0.00 -0.04 2.33 4.57 -1.35 -0.66 114.58 120.50 2k6i h GLU 17 Ca 0.30 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.42 2k6i h GLU 17 Cb -0.09 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2k6i h GLU 17 CO -0.07 0.00 -0.24 0.37 -1.18 0.00 0.00 179.01 177.88 2k6i h GLN 18 N 0.00 0.06 0.04 1.92 -0.00 -1.18 0.66 115.11 116.61 2k6i h GLN 18 Ca 0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2k6i h GLN 18 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.56 2k6i h GLN 18 CO -0.00 0.31 -0.02 0.00 0.00 0.00 0.00 178.83 179.12 2k6i h ALA 19 N 1.70 -0.05 -0.38 3.38 0.00 -1.20 -1.82 119.26 120.88 2k6i h ALA 19 Ca 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2k6i h ALA 19 Cb 0.47 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2k6i h ALA 19 CO 0.03 -0.08 0.14 -0.24 0.00 0.00 0.00 179.25 179.10 2k6i h VAL 20 N -0.94 1.16 0.00 0.00 3.04 -1.49 0.92 116.25 118.93 2k6i h VAL 20 Ca -0.01 -0.51 -0.17 0.00 -1.01 0.00 0.00 66.70 65.01 2k6i h VAL 20 Cb 0.63 0.72 -0.02 0.00 -2.01 0.00 0.00 31.29 30.60 2k6i h VAL 20 CO 0.01 0.19 -0.80 0.50 -1.01 0.00 0.00 177.57 176.46 2k6i h LYS 21 N 0.54 0.00 0.05 4.17 1.63 -0.97 -2.91 116.57 119.09 2k6i h LYS 21 Ca 0.13 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2k6i h LYS 21 Cb 0.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 2k6i h LYS 21 CO -0.01 0.80 -0.02 1.49 -3.45 0.00 0.00 179.45 178.25 2k6i h GLU 22 N 0.00 -0.07 -0.56 1.90 4.57 -0.59 -2.90 114.58 116.92 2k6i h GLU 22 Ca -0.01 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.29 2k6i h GLU 22 Cb 1.47 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 30.04 2k6i h GLU 22 CO 0.10 0.51 0.38 -0.84 -1.18 0.00 0.00 179.01 177.99 2k6i h ILE 23 N -0.92 0.85 0.54 2.32 -0.00 -0.96 -1.82 117.51 117.52 2k6i h ILE 23 Ca -0.01 -0.10 -0.03 0.00 -0.00 0.00 0.00 64.86 64.73 2k6i h ILE 23 Cb 0.61 0.54 0.01 0.00 -0.00 0.00 0.00 36.82 37.97 2k6i h ILE 23 CO 0.01 0.05 -0.26 -0.08 -0.00 0.00 0.00 178.15 177.87 2k6i h GLU 24 N 0.29 -0.70 -0.79 0.16 4.57 -1.59 -3.09 114.58 113.43 2k6i h GLU 24 Ca 0.27 0.05 0.23 0.00 -1.18 0.00 0.00 59.36 58.72 2k6i h GLU 24 Cb 0.65 0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.37 2k6i h GLU 24 CO -0.06 -0.43 0.57 1.49 -1.18 0.00 0.00 179.01 179.40 2k6i h GLU 25 N -1.14 0.00 -0.16 1.92 4.81 -1.26 0.23 114.58 118.98 2k6i h GLU 25 Ca -0.07 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2k6i h GLU 25 Cb 0.60 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2k6i h GLU 25 CO 0.12 0.00 0.10 0.00 -0.73 0.00 0.00 179.01 178.51 2k6i h ALA 26 N 1.61 0.21 0.00 2.92 0.00 -1.26 0.71 119.26 123.44 2k6i h ALA 26 Ca 0.38 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.14 2k6i h ALA 26 Cb 1.51 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 2k6i h ALA 26 CO -0.00 -0.30 -0.56 1.57 0.00 0.00 0.00 179.25 179.96 2k6i h LYS 27 N 0.20 0.00 0.32 0.00 2.10 -1.04 -3.19 116.57 114.97 2k6i h LYS 27 Ca 0.06 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.69 2k6i h LYS 27 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2k6i h LYS 27 CO -0.01 0.56 -0.15 -0.91 -2.00 0.00 0.00 179.45 176.93 2k6i h ASN 28 N 0.00 -0.36 -0.65 7.07 -0.26 -0.71 -2.03 115.58 118.64 2k6i h ASN 28 Ca -0.01 -0.18 0.16 0.00 -0.56 0.00 0.00 56.30 55.71 2k6i h ASN 28 Cb 1.34 0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 38.66 2k6i h ASN 28 CO 0.07 0.08 0.45 0.08 -1.06 0.00 0.00 177.43 177.05 2k6i h ARG 29 N -0.90 0.16 -0.06 0.81 -0.00 -0.97 0.63 114.38 114.05 2k6i h ARG 29 Ca -0.04 -0.01 -0.19 0.00 -0.00 0.00 0.00 59.98 59.73 2k6i h ARG 29 Cb 0.52 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.97 30.45 2k6i h ARG 29 CO 0.07 0.11 -0.78 0.00 -0.00 0.00 0.00 179.97 179.37 2k6i h ALA 30 N 1.69 0.55 0.00 0.08 0.00 -1.52 -3.09 119.26 116.96 2k6i h ALA 30 Ca 0.31 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2k6i h ALA 30 Cb 0.99 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2k6i h ALA 30 CO -0.05 0.78 -0.15 1.49 0.00 0.00 0.00 179.25 181.32 2k6i h GLU 31 N 0.26 0.00 0.00 0.00 4.81 -0.12 -1.85 114.58 117.69 2k6i h GLU 31 Ca -0.04 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2k6i h GLU 31 Cb 1.37 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 2k6i h GLU 31 CO 0.13 0.15 -0.20 0.37 -0.73 0.00 0.00 179.01 178.73 2k6i h GLN 32 N 0.00 0.00 0.07 1.92 4.15 -1.38 0.24 115.11 120.11 2k6i h GLN 32 Ca -0.00 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.22 2k6i h GLN 32 Cb 0.36 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 2k6i h GLN 32 CO 0.02 0.20 -1.03 0.82 -1.93 0.00 0.00 178.83 176.91 2k6i h ILE 33 N 0.00 1.21 0.00 2.39 1.08 -1.45 -3.35 117.51 117.39 2k6i h ILE 33 Ca -0.00 -2.36 -0.07 0.00 -0.39 0.00 0.00 64.86 62.04 2k6i h ILE 33 Cb 0.52 2.80 -0.01 0.00 -3.07 0.00 0.00 36.82 37.06 2k6i h ILE 33 CO 0.03 0.60 -0.33 0.11 -0.69 0.00 0.00 178.15 177.86 2k6i h LYS 34 N -0.60 0.00 -0.90 2.37 1.79 -1.43 -3.09 116.57 114.70 2k6i h LYS 34 Ca -0.23 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.37 2k6i h LYS 34 Cb 1.49 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 32.07 2k6i h LYS 34 CO -0.00 0.33 0.58 0.00 -1.08 0.00 0.00 179.45 179.28 2k6i h ALA 35 N 1.67 1.76 -0.57 3.86 0.00 -0.66 -1.59 119.26 123.72 2k6i h ALA 35 Ca -0.00 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.02 2k6i h ALA 35 Cb 0.86 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 2k6i h ALA 35 CO 0.04 0.01 0.13 1.49 0.00 0.00 0.00 179.25 180.92 2k6i h GLU 36 N 0.76 0.26 -0.42 0.00 4.81 -1.70 0.32 114.58 118.61 2k6i h GLU 36 Ca 0.45 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.78 2k6i h GLU 36 Cb 0.64 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2k6i h GLU 36 CO -0.21 0.17 0.38 0.00 -0.73 0.00 0.00 179.01 178.62 2k6i h ALA 37 N 1.45 2.21 0.00 2.92 0.00 -1.48 0.98 119.26 125.34 2k6i h ALA 37 Ca 0.30 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 2k6i h ALA 37 Cb 0.43 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2k6i h ALA 37 CO -0.37 -0.59 -1.68 -0.89 0.00 0.00 0.00 179.25 175.71 2k6i n ILE 38 N -3.98 0.65 0.33 0.00 -0.00 0.60 -4.10 119.36 112.85 2k6i n ILE 38 Ca 0.07 -0.61 0.20 0.00 -0.00 0.00 0.00 62.75 62.41 2k6i n ILE 38 Cb 0.56 -0.33 1.07 0.00 -0.00 0.00 0.00 39.64 40.94 2k6i n ILE 38 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.55 176.47 2k6i h GLU 39 N 0.00 0.00 0.03 0.38 4.81 0.21 -0.91 114.58 119.10 2k6i h GLU 39 Ca -0.12 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.84 2k6i h GLU 39 Cb 1.33 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.74 2k6i h GLU 39 CO 0.02 0.00 -1.05 1.05 -0.73 0.00 0.00 179.01 178.30 2k6i h GLU 40 N 0.00 0.66 -0.76 1.92 -0.00 -1.70 -3.22 114.58 111.49 2k6i h GLU 40 Ca 0.01 -0.75 0.19 0.00 -0.00 0.00 0.00 59.36 58.80 2k6i h GLU 40 Cb 0.22 0.22 -0.04 0.00 -0.00 0.00 0.00 28.75 29.15 2k6i h GLU 40 CO -0.00 1.32 0.52 0.00 -0.00 0.00 0.00 179.01 180.86 2k6i h ALA 41 N 0.37 2.39 -0.14 1.06 0.00 -1.39 0.28 119.26 121.83 2k6i h ALA 41 Ca -0.14 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.55 2k6i h ALA 41 Cb 1.71 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.51 2k6i h ALA 41 CO 0.21 -0.61 -0.77 0.87 0.00 0.00 0.00 179.25 178.95 2k6i h LYS 42 N 0.22 0.71 0.08 0.00 1.79 -1.58 -3.30 116.57 114.49 2k6i h LYS 42 Ca 0.38 -0.58 0.02 0.00 -2.18 0.00 0.00 60.65 58.29 2k6i h LYS 42 Cb 1.14 0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.87 2k6i h LYS 42 CO -0.08 1.20 -0.32 -0.22 -1.08 0.00 0.00 179.45 178.95 2k6i h LYS 43 N 0.49 -0.50 -1.70 3.15 1.63 -0.95 -3.45 116.57 115.24 2k6i h LYS 43 Ca -0.05 0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.84 2k6i h LYS 43 Cb 1.39 0.11 -0.25 0.00 -0.60 0.00 0.00 32.23 32.88 2k6i h LYS 43 CO 0.15 -0.33 0.34 -1.17 -3.45 0.00 0.00 179.45 174.99 2k6i s LEU 44 N -10.32 -0.56 -0.65 5.20 0.20 -1.08 -5.12 118.68 106.35 2k6i s LEU 44 Ca -0.16 1.02 -0.23 0.00 0.69 0.00 0.00 54.13 55.46 2k6i s LEU 44 Cb 0.08 2.01 0.06 0.00 -0.43 0.00 0.00 46.19 47.91 2k6i s LEU 44 CO 0.65 -0.17 0.98 -0.63 -0.29 0.00 0.00 176.35 176.88 2k6i s ILE 45 N 0.61 4.30 0.85 6.68 -1.09 -1.26 -4.63 121.20 126.65 2k6i s ILE 45 Ca -0.01 -0.25 -0.11 0.00 -2.23 0.00 0.00 60.65 58.05 2k6i s ILE 45 Cb -0.05 -4.68 0.10 0.00 -1.58 0.00 0.00 42.46 36.25 2k6i s ILE 45 CO -0.08 -1.44 1.09 0.00 -1.23 0.00 0.00 174.94 173.28 2k6i s ALA 46 N 4.15 1.82 0.00 9.38 0.00 -1.26 -5.21 121.76 130.65 2k6i s ALA 46 Ca 0.24 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2k6i s ALA 46 Cb -0.16 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2k6i s ALA 46 CO 0.11 -2.13 0.45 0.00 0.00 0.00 0.00 175.76 174.19