#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6i s GLY 2 N 0.00 0.14 -0.75 3.17 0.00 -1.26 -5.09 107.32 103.54 2k6i s GLY 2 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 44.72 44.38 2k6i s GLY 2 CO 0.00 -0.48 0.97 3.33 0.00 0.00 0.00 173.10 176.92 2k6i n VAL 3 N 1.47 3.24 -3.59 1.40 0.24 -1.26 -4.84 118.33 115.01 2k6i n VAL 3 Ca -0.23 -5.45 -0.21 0.00 -2.04 0.00 0.00 64.34 56.41 2k6i n VAL 3 Cb 0.55 -2.03 0.05 0.00 -1.47 0.00 0.00 33.84 30.94 2k6i n VAL 3 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2k6i n SER 4 N 0.85 -2.54 -1.44 -1.34 2.88 -1.26 -4.90 113.62 105.87 2k6i n SER 4 Ca 0.30 -0.79 -0.03 0.00 -1.33 0.00 0.00 58.87 57.01 2k6i n SER 4 Cb 0.39 -4.34 0.25 0.00 -0.75 0.00 0.00 64.21 59.75 2k6i n SER 4 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2k6i n VAL 5 N -4.09 2.66 0.11 2.46 0.24 -1.26 -4.48 118.33 113.98 2k6i n VAL 5 Ca -0.24 -2.10 0.00 0.00 -2.04 0.00 0.00 64.34 59.96 2k6i n VAL 5 Cb 0.66 -0.33 -0.01 0.00 -1.47 0.00 0.00 33.84 32.69 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 1.71 0.00 0.00 7.34 2.86 -1.91 -2.88 114.93 122.04 2k6i h MET 6 Ca 0.22 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.55 2k6i h MET 6 Cb 1.93 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 33.53 2k6i h MET 6 CO 0.52 0.58 -2.30 -1.91 1.06 0.00 0.00 176.91 174.86 2k6i n GLU 7 N -3.22 0.68 -0.02 1.72 2.13 -1.26 -3.47 120.64 117.20 2k6i n GLU 7 Ca 0.01 -0.03 -0.13 0.00 0.66 0.00 0.00 57.16 57.67 2k6i n GLU 7 Cb 0.78 -1.53 -0.10 0.00 0.27 0.00 0.00 31.44 30.86 2k6i n GLU 7 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k6i h ALA 8 N 1.16 0.01 0.04 4.31 0.00 -1.81 -3.36 119.26 119.61 2k6i h ALA 8 Ca -0.45 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.16 2k6i h ALA 8 Cb 2.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2k6i h ALA 8 CO 0.03 -0.19 -0.02 0.82 0.00 0.00 0.00 179.25 179.89 2k6i h ILE 9 N -0.56 0.00 -2.23 0.00 2.04 -1.73 -3.41 117.51 111.62 2k6i h ILE 9 Ca 0.00 -0.30 -0.62 0.00 1.00 0.00 0.00 64.86 64.93 2k6i h ILE 9 Cb 0.59 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.54 2k6i h ILE 9 CO 0.00 0.00 0.90 -0.75 0.00 0.00 0.00 178.15 178.31 2k6i s LYS 10 N -1.52 3.35 -0.51 2.37 2.20 -1.23 -4.96 119.74 119.45 2k6i s LYS 10 Ca -0.01 -1.03 -0.28 0.00 -0.36 0.00 0.00 55.97 54.29 2k6i s LYS 10 Cb 0.00 -4.63 -0.09 0.00 -1.51 0.00 0.00 37.83 31.60 2k6i s LYS 10 CO 0.02 -1.94 2.40 -1.91 -0.36 0.00 0.00 175.35 173.56 2k6i n GLU 11 N 7.94 1.03 -3.52 4.03 4.07 -1.26 -4.26 120.64 128.69 2k6i n GLU 11 Ca 0.12 0.11 -0.38 0.00 -0.06 0.00 0.00 57.16 56.95 2k6i n GLU 11 Cb 0.48 -3.02 -0.06 0.00 -0.06 0.00 0.00 31.44 28.78 2k6i n GLU 11 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2k6i s VAL 12 N 10.61 5.09 -0.22 6.31 1.01 -1.26 -4.97 120.40 136.96 2k6i s VAL 12 Ca 1.05 0.79 0.13 0.00 0.00 0.00 0.00 61.98 63.95 2k6i s VAL 12 Cb -0.44 -3.69 -0.18 0.00 0.00 0.00 0.00 36.38 32.07 2k6i s VAL 12 CO 0.34 0.55 0.38 2.29 0.00 0.00 0.00 175.10 178.66 2k6i n LYS 13 N 2.06 1.22 0.25 2.72 2.85 -1.26 -4.61 118.16 121.39 2k6i n LYS 13 Ca -0.14 -0.08 -0.15 0.00 -1.05 0.00 0.00 58.31 56.89 2k6i n LYS 13 Cb 0.52 -1.24 -0.08 0.00 -0.65 0.00 0.00 35.03 33.58 2k6i n LYS 13 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 2k6i h LEU 14 N 0.00 -0.53 2.40 -5.58 -0.00 -2.01 -3.46 115.31 106.13 2k6i h LEU 14 Ca 0.00 -0.05 -0.29 0.00 -0.00 0.00 0.00 57.88 57.54 2k6i h LEU 14 Cb 0.50 0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 41.27 2k6i h LEU 14 CO 0.00 -0.28 -0.36 0.00 -0.00 0.00 0.00 178.44 177.80 2k6i n ALA 15 N -2.44 -0.65 0.12 1.53 0.00 -1.26 -4.82 120.51 112.99 2k6i n ALA 15 Ca -0.11 0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 2k6i n ALA 15 Cb 0.29 -1.66 0.11 0.00 0.00 0.00 0.00 19.45 18.18 2k6i n ALA 15 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2k6i h GLU 16 N 0.00 0.00 -0.27 0.00 4.11 -1.99 -3.11 114.58 113.32 2k6i h GLU 16 Ca -0.34 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.17 2k6i h GLU 16 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2k6i h GLU 16 CO 0.42 0.67 0.28 1.05 0.07 0.00 0.00 179.01 181.50 2k6i h GLU 17 N 0.00 0.00 0.00 1.06 9.09 -2.02 0.25 114.58 122.96 2k6i h GLU 17 Ca -0.01 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.34 2k6i h GLU 17 Cb 1.27 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.36 2k6i h GLU 17 CO 0.09 0.00 -1.08 0.37 0.05 0.00 0.00 179.01 178.44 2k6i h GLN 18 N 0.00 0.00 0.00 1.06 4.15 -1.94 -3.33 115.11 115.06 2k6i h GLN 18 Ca 0.13 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.47 2k6i h GLN 18 Cb 0.69 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 2k6i h GLN 18 CO -0.00 0.12 -0.39 0.00 -1.93 0.00 0.00 178.83 176.63 2k6i h ALA 19 N 1.78 0.78 -0.95 3.38 0.00 -0.60 -3.26 119.26 120.39 2k6i h ALA 19 Ca -0.06 -0.35 0.24 0.00 0.00 0.00 0.00 54.91 54.74 2k6i h ALA 19 Cb 1.21 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 2k6i h ALA 19 CO 0.02 0.48 0.64 -0.24 0.00 0.00 0.00 179.25 180.15 2k6i h VAL 20 N 0.00 0.60 0.03 0.00 3.04 -1.43 0.27 116.25 118.75 2k6i h VAL 20 Ca -0.00 -0.09 -0.24 0.00 -1.01 0.00 0.00 66.70 65.35 2k6i h VAL 20 Cb 1.23 0.30 0.01 0.00 -2.01 0.00 0.00 31.29 30.82 2k6i h VAL 20 CO 0.05 0.05 -1.03 0.11 -1.01 0.00 0.00 177.57 175.74 2k6i h LYS 21 N 0.27 0.43 -0.10 4.17 1.79 -1.80 -1.91 116.57 119.42 2k6i h LYS 21 Ca 0.49 -0.51 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 2k6i h LYS 21 Cb 1.45 0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 32.25 2k6i h LYS 21 CO -0.15 1.17 -0.11 0.93 -1.08 0.00 0.00 179.45 180.21 2k6i h GLU 22 N 0.22 0.25 -0.13 3.15 5.08 -0.78 0.18 114.58 122.55 2k6i h GLU 22 Ca -0.10 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.02 2k6i h GLU 22 Cb 1.68 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 2k6i h GLU 22 CO 0.18 0.68 -0.35 -0.84 -1.00 0.00 0.00 179.01 177.68 2k6i h ILE 23 N -0.16 1.29 0.11 3.13 -0.00 -0.79 -2.18 117.51 118.90 2k6i h ILE 23 Ca 0.01 -1.39 -0.01 0.00 -0.00 0.00 0.00 64.86 63.48 2k6i h ILE 23 Cb 0.64 1.58 0.00 0.00 -0.00 0.00 0.00 36.82 39.03 2k6i h ILE 23 CO 0.03 0.42 -0.05 -0.08 -0.00 0.00 0.00 178.15 178.47 2k6i h GLU 24 N 0.24 -0.14 -0.69 0.16 4.57 -1.32 -3.21 114.58 114.19 2k6i h GLU 24 Ca 0.03 0.01 0.19 0.00 -1.18 0.00 0.00 59.36 58.41 2k6i h GLU 24 Cb 0.74 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 2k6i h GLU 24 CO 0.06 0.23 0.49 1.49 -1.18 0.00 0.00 179.01 180.10 2k6i h GLU 25 N -0.97 0.05 -0.33 1.92 4.81 -0.68 0.17 114.58 119.55 2k6i h GLU 25 Ca -0.01 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 2k6i h GLU 25 Cb 0.43 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2k6i h GLU 25 CO 0.02 0.03 -0.15 0.00 -0.73 0.00 0.00 179.01 178.19 2k6i h ALA 26 N 1.66 1.12 -0.14 2.92 0.00 -1.46 -2.88 119.26 120.49 2k6i h ALA 26 Ca 0.33 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 2k6i h ALA 26 Cb 1.25 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2k6i h ALA 26 CO -0.02 0.55 -0.68 0.87 0.00 0.00 0.00 179.25 179.97 2k6i h LYS 27 N 0.53 0.56 -0.30 0.00 1.57 -0.67 -3.25 116.57 115.02 2k6i h LYS 27 Ca 0.09 -0.42 0.05 0.00 -1.87 0.00 0.00 60.65 58.51 2k6i h LYS 27 Cb 0.57 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.90 2k6i h LYS 27 CO 0.04 1.04 -0.01 -0.91 -0.57 0.00 0.00 179.45 179.03 2k6i h ASN 28 N 0.40 -0.15 -0.82 0.86 -0.26 -1.23 -0.79 115.58 113.59 2k6i h ASN 28 Ca -0.02 0.07 0.16 0.00 -0.56 0.00 0.00 56.30 55.95 2k6i h ASN 28 Cb 1.26 0.13 -0.06 0.00 -1.06 0.00 0.00 38.32 38.59 2k6i h ASN 28 CO 0.13 -0.04 0.54 0.03 -1.06 0.00 0.00 177.43 177.03 2k6i h ARG 29 N 0.07 0.48 0.00 0.81 3.08 -1.57 0.16 114.38 117.41 2k6i h ARG 29 Ca 0.14 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.02 2k6i h ARG 29 Cb 0.20 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2k6i h ARG 29 CO -0.25 0.32 -0.68 0.00 -1.07 0.00 0.00 179.97 178.29 2k6i h ALA 30 N 1.63 0.80 0.00 0.04 0.00 -1.25 -3.08 119.26 117.40 2k6i h ALA 30 Ca 0.41 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2k6i h ALA 30 Cb 0.86 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2k6i h ALA 30 CO -0.15 0.85 -0.33 1.49 0.00 0.00 0.00 179.25 181.11 2k6i h GLU 31 N 0.00 0.00 0.00 0.00 4.81 0.47 -2.69 114.58 117.17 2k6i h GLU 31 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2k6i h GLU 31 Cb 1.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 2k6i h GLU 31 CO 0.09 0.33 -0.02 0.37 -0.73 0.00 0.00 179.01 179.05 2k6i h GLN 32 N 0.00 0.00 0.00 1.92 4.15 -1.33 0.20 115.11 120.06 2k6i h GLN 32 Ca -0.00 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.17 2k6i h GLN 32 Cb 0.74 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.39 2k6i h GLN 32 CO 0.04 0.02 -1.32 -0.89 -1.93 0.00 0.00 178.83 174.75 2k6i n ILE 33 N -4.11 1.53 0.27 2.39 -0.00 -1.04 -4.18 119.36 114.22 2k6i n ILE 33 Ca -0.03 -0.04 0.11 0.00 -0.00 0.00 0.00 62.75 62.79 2k6i n ILE 33 Cb 0.11 -2.04 0.73 0.00 -0.00 0.00 0.00 39.64 38.44 2k6i n ILE 33 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 2k6i h LYS 34 N -1.00 0.00 -0.56 0.38 1.57 -1.37 -1.85 116.57 113.74 2k6i h LYS 34 Ca -0.37 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.58 2k6i h LYS 34 Cb 1.32 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 2k6i h LYS 34 CO -0.22 0.05 0.40 0.00 -0.57 0.00 0.00 179.45 179.11 2k6i h ALA 35 N 1.95 2.52 -0.09 3.86 0.00 -0.76 0.13 119.26 126.87 2k6i h ALA 35 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2k6i h ALA 35 Cb 0.10 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2k6i h ALA 35 CO 0.01 -0.69 0.07 0.93 0.00 0.00 0.00 179.25 179.57 2k6i h GLU 36 N 0.00 0.00 -0.52 0.00 5.08 -1.54 0.24 114.58 117.84 2k6i h GLU 36 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2k6i h GLU 36 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2k6i h GLU 36 CO -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2k6i n ALA 37 N -2.46 2.69 0.07 3.43 0.00 0.46 -3.80 120.51 120.90 2k6i n ALA 37 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2k6i n ALA 37 Cb 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2k6i n ALA 37 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k6i n ILE 38 N 0.59 0.65 -0.05 0.00 5.41 0.61 -4.58 119.36 121.99 2k6i n ILE 38 Ca 0.14 0.21 0.24 0.00 1.00 0.00 0.00 62.75 64.35 2k6i n ILE 38 Cb 0.48 -1.09 0.72 0.00 -0.71 0.00 0.00 39.64 39.03 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 0.05 0.38 4.81 -1.14 0.17 114.58 118.86 2k6i h GLU 39 Ca 0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 2k6i h GLU 39 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 2k6i h GLU 39 CO 0.00 0.00 -1.09 1.49 -0.73 0.00 0.00 179.01 178.68 2k6i h GLU 40 N 0.00 0.50 0.00 1.92 4.57 -1.76 -3.20 114.58 116.62 2k6i h GLU 40 Ca 0.31 -0.62 -0.03 0.00 -1.18 0.00 0.00 59.36 57.85 2k6i h GLU 40 Cb 1.36 0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 30.14 2k6i h GLU 40 CO -0.00 1.24 -0.12 0.00 -1.18 0.00 0.00 179.01 178.95 2k6i h ALA 41 N 0.53 1.45 0.00 2.92 0.00 -0.81 -1.75 119.26 121.59 2k6i h ALA 41 Ca -0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2k6i h ALA 41 Cb 1.76 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 2k6i h ALA 41 CO 0.20 0.15 -0.09 -0.22 0.00 0.00 0.00 179.25 179.29 2k6i h LYS 42 N 0.00 0.00 0.00 0.00 3.11 -1.44 -3.17 116.57 115.07 2k6i h LYS 42 Ca -0.00 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.70 2k6i h LYS 42 Cb 0.28 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.49 2k6i h LYS 42 CO 0.02 0.09 -0.96 1.63 -2.81 0.00 0.00 179.45 177.42 2k6i n LYS 43 N -3.88 0.52 -4.18 1.90 5.02 -0.69 -4.98 118.16 111.87 2k6i n LYS 43 Ca -0.02 0.56 -0.16 0.00 -2.02 0.00 0.00 58.31 56.66 2k6i n LYS 43 Cb 0.19 -1.73 -0.14 0.00 -0.02 0.00 0.00 35.03 33.33 2k6i n LYS 43 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2k6i s LEU 44 N -8.01 2.03 -0.59 -0.35 2.96 -1.01 -5.11 118.68 108.59 2k6i s LEU 44 Ca -0.23 -0.14 -0.18 0.00 -0.22 0.00 0.00 54.13 53.37 2k6i s LEU 44 Cb 0.04 -0.29 0.12 0.00 0.50 0.00 0.00 46.19 46.57 2k6i s LEU 44 CO 0.43 0.05 0.64 -0.63 -1.32 0.00 0.00 176.35 175.52 2k6i s ILE 45 N -0.22 5.01 -0.33 6.68 -1.09 -1.26 -4.07 121.20 125.92 2k6i s ILE 45 Ca 0.01 -1.28 0.10 0.00 -2.23 0.00 0.00 60.65 57.25 2k6i s ILE 45 Cb -0.03 -4.44 0.46 0.00 -1.58 0.00 0.00 42.46 36.87 2k6i s ILE 45 CO -0.00 -1.03 1.13 0.00 -1.23 0.00 0.00 174.94 173.81 2k6i n ALA 46 N 5.79 4.46 1.28 9.38 0.00 -1.26 -5.17 120.51 134.99 2k6i n ALA 46 Ca -0.09 -3.70 0.10 0.00 0.00 0.00 0.00 53.44 49.75 2k6i n ALA 46 Cb 0.42 -0.54 0.61 0.00 0.00 0.00 0.00 19.45 19.94 2k6i n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50