#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 -1.99 3.75 -5.12 0.00 -1.26 -4.98 105.19 95.60 2k6i n GLY 2 Ca 0.00 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 2k6i n GLY 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k6i s VAL 3 N -2.78 4.64 -1.36 1.61 1.01 -1.26 -5.02 120.40 117.25 2k6i s VAL 3 Ca 0.00 -0.28 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 2k6i s VAL 3 Cb 0.00 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.37 2k6i s VAL 3 CO 0.00 0.48 2.07 -1.54 0.00 0.00 0.00 175.10 176.11 2k6i n SER 4 N 1.66 4.03 -1.85 3.32 3.41 -1.26 -4.67 113.62 118.26 2k6i n SER 4 Ca -0.16 -2.85 -0.11 0.00 -0.26 0.00 0.00 58.87 55.49 2k6i n SER 4 Cb 0.53 -1.65 0.20 0.00 -0.26 0.00 0.00 64.21 63.04 2k6i n SER 4 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2k6i n VAL 5 N 5.60 2.56 0.16 -3.33 0.24 -1.26 -4.30 118.33 118.00 2k6i n VAL 5 Ca 0.51 -1.38 0.03 0.00 -2.04 0.00 0.00 64.34 61.45 2k6i n VAL 5 Cb 0.41 -0.50 0.19 0.00 -1.47 0.00 0.00 33.84 32.48 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 1.58 0.00 0.00 7.34 2.07 -1.95 -3.05 114.93 120.93 2k6i h MET 6 Ca 0.34 0.00 -0.33 0.00 -2.07 0.00 0.00 59.70 57.63 2k6i h MET 6 Cb 2.22 0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 31.89 2k6i h MET 6 CO 0.72 0.50 -2.21 0.39 1.07 0.00 0.00 176.91 177.38 2k6i n GLU 7 N -3.47 0.50 -0.35 1.72 1.02 -1.26 -3.45 120.64 115.35 2k6i n GLU 7 Ca 0.00 0.15 0.11 0.00 -0.02 0.00 0.00 57.16 57.40 2k6i n GLU 7 Cb 0.62 -1.38 0.29 0.00 -0.02 0.00 0.00 31.44 30.96 2k6i n GLU 7 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k6i h ALA 8 N -0.26 1.62 0.00 0.62 0.00 -1.79 -3.24 119.26 116.20 2k6i h ALA 8 Ca -0.50 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2k6i h ALA 8 Cb 1.65 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2k6i h ALA 8 CO -0.16 0.06 -0.26 0.82 0.00 0.00 0.00 179.25 179.72 2k6i h ILE 9 N 0.86 0.00 -1.30 0.00 2.04 -1.76 -3.43 117.51 113.91 2k6i h ILE 9 Ca 0.54 -0.60 -0.54 0.00 1.00 0.00 0.00 64.86 65.26 2k6i h ILE 9 Cb 0.73 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.72 2k6i h ILE 9 CO -0.33 0.00 1.30 -0.75 0.00 0.00 0.00 178.15 178.37 2k6i s LYS 10 N -1.68 3.32 -0.07 2.37 2.20 -1.22 -4.64 119.74 120.01 2k6i s LYS 10 Ca -0.07 -0.76 0.07 0.00 -0.36 0.00 0.00 55.97 54.84 2k6i s LYS 10 Cb 0.01 -5.07 -0.10 0.00 -1.51 0.00 0.00 37.83 31.17 2k6i s LYS 10 CO 0.11 -2.41 0.04 -1.91 -0.36 0.00 0.00 175.35 170.82 2k6i n GLU 11 N 8.98 2.57 -3.20 4.03 2.13 -1.24 -4.40 120.64 129.50 2k6i n GLU 11 Ca 0.28 -0.01 -0.25 0.00 0.66 0.00 0.00 57.16 57.85 2k6i n GLU 11 Cb 0.50 -1.20 -0.01 0.00 0.27 0.00 0.00 31.44 31.01 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 -2.21 5.05 -0.13 6.31 -7.23 -1.26 -5.02 120.40 115.92 2k6i s VAL 12 Ca -0.04 -0.28 0.07 0.00 -1.81 0.00 0.00 61.98 59.93 2k6i s VAL 12 Cb 0.02 -3.86 -0.10 0.00 0.56 0.00 0.00 36.38 33.00 2k6i s VAL 12 CO 0.31 -0.62 0.21 2.29 -0.31 0.00 0.00 175.10 176.99 2k6i n LYS 13 N -1.86 1.77 0.00 4.82 0.00 -1.26 -4.77 118.16 116.85 2k6i n LYS 13 Ca -0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 2k6i n LYS 13 Cb 0.56 -1.06 0.00 0.00 -0.00 0.00 0.00 35.03 34.53 2k6i n LYS 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2k6i n LEU 14 N -1.55 0.13 -1.98 -5.58 4.77 -1.26 -4.86 117.00 106.66 2k6i n LEU 14 Ca -0.00 0.79 -0.17 0.00 -0.03 0.00 0.00 56.01 56.60 2k6i n LEU 14 Cb 0.17 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 2k6i n LEU 14 CO 0.15 -0.38 -0.19 0.00 -1.33 0.00 0.00 177.39 175.64 2k6i n ALA 15 N -1.65 -0.49 0.09 -1.18 0.00 -1.26 -4.83 120.51 111.19 2k6i n ALA 15 Ca 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 53.44 53.60 2k6i n ALA 15 Cb 0.00 -1.82 -0.00 0.00 0.00 0.00 0.00 19.45 17.63 2k6i n ALA 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k6i h GLU 16 N 0.00 0.00 -0.21 0.00 5.08 -2.01 -3.17 114.58 114.27 2k6i h GLU 16 Ca -0.38 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.04 2k6i h GLU 16 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2k6i h GLU 16 CO 0.50 0.83 0.21 1.49 -1.00 0.00 0.00 179.01 181.04 2k6i h GLU 17 N 0.00 0.00 0.00 2.33 4.57 -2.00 0.58 114.58 120.06 2k6i h GLU 17 Ca -0.01 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 2k6i h GLU 17 Cb 1.50 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.08 2k6i h GLU 17 CO 0.11 0.00 -0.21 0.37 -1.18 0.00 0.00 179.01 178.10 2k6i h GLN 18 N 0.00 0.00 0.04 1.92 5.75 -1.95 0.13 115.11 121.01 2k6i h GLN 18 Ca 0.10 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.60 2k6i h GLN 18 Cb 0.52 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.07 2k6i h GLN 18 CO -0.00 0.21 -0.02 0.00 -2.65 0.00 0.00 178.83 176.37 2k6i h ALA 19 N 1.79 -0.05 -0.37 3.38 0.00 -1.08 -1.93 119.26 121.00 2k6i h ALA 19 Ca -0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2k6i h ALA 19 Cb 0.37 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2k6i h ALA 19 CO 0.03 -0.09 0.07 -0.39 0.00 0.00 0.00 179.25 178.87 2k6i h VAL 20 N -0.94 1.18 0.00 0.00 -1.51 -1.47 0.37 116.25 113.88 2k6i h VAL 20 Ca -0.01 -0.65 -0.14 0.00 -1.23 0.00 0.00 66.70 64.67 2k6i h VAL 20 Cb 0.62 0.82 -0.02 0.00 -2.13 0.00 0.00 31.29 30.59 2k6i h VAL 20 CO 0.01 0.23 -0.69 0.50 -1.23 0.00 0.00 177.57 176.39 2k6i h LYS 21 N 0.53 0.00 0.01 5.19 3.64 -0.84 -2.58 116.57 122.52 2k6i h LYS 21 Ca 0.12 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2k6i h LYS 21 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2k6i h LYS 21 CO -0.00 0.69 -0.00 1.49 -2.27 0.00 0.00 179.45 179.35 2k6i h GLU 22 N 0.00 -0.01 -0.34 1.90 4.81 -0.68 -2.71 114.58 117.54 2k6i h GLU 22 Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2k6i h GLU 22 Cb 1.35 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.72 2k6i h GLU 22 CO 0.09 0.80 0.17 -0.84 -0.73 0.00 0.00 179.01 178.50 2k6i h ILE 23 N -0.90 1.12 -0.11 2.32 -0.00 -1.04 -2.67 117.51 116.22 2k6i h ILE 23 Ca -0.00 -0.33 -0.04 0.00 -0.00 0.00 0.00 64.86 64.48 2k6i h ILE 23 Cb 0.82 0.68 -0.00 0.00 -0.00 0.00 0.00 36.82 38.32 2k6i h ILE 23 CO 0.00 0.14 -0.10 -0.08 -0.00 0.00 0.00 178.15 178.11 2k6i h GLU 24 N 0.47 0.26 -0.43 0.16 4.57 -1.55 -2.79 114.58 115.28 2k6i h GLU 24 Ca 0.12 -0.13 0.12 0.00 -1.18 0.00 0.00 59.36 58.29 2k6i h GLU 24 Cb 0.05 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 2k6i h GLU 24 CO -0.02 0.66 0.36 1.49 -1.18 0.00 0.00 179.01 180.32 2k6i h GLU 25 N -0.13 0.00 0.07 1.92 4.57 -1.15 0.30 114.58 120.16 2k6i h GLU 25 Ca 0.02 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.93 2k6i h GLU 25 Cb 0.60 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.21 2k6i h GLU 25 CO 0.02 0.00 -1.13 0.00 -1.18 0.00 0.00 179.01 176.73 2k6i h ALA 26 N 1.68 0.13 0.00 2.92 0.00 -1.34 -3.26 119.26 119.39 2k6i h ALA 26 Ca 0.20 -0.75 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 2k6i h ALA 26 Cb 0.92 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2k6i h ALA 26 CO -0.00 0.75 -0.48 0.87 0.00 0.00 0.00 179.25 180.39 2k6i h LYS 27 N 0.27 0.00 0.00 0.00 1.57 -0.72 -3.15 116.57 114.54 2k6i h LYS 27 Ca -0.14 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2k6i h LYS 27 Cb 1.79 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.10 2k6i h LYS 27 CO 0.21 0.48 -0.08 -0.91 -0.57 0.00 0.00 179.45 178.58 2k6i h ASN 28 N 0.00 0.00 -0.61 0.86 -0.26 -0.56 -2.38 115.58 112.64 2k6i h ASN 28 Ca -0.00 0.00 0.18 0.00 -0.56 0.00 0.00 56.30 55.91 2k6i h ASN 28 Cb 1.28 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.52 2k6i h ASN 28 CO 0.06 0.08 0.45 0.08 -1.06 0.00 0.00 177.43 177.05 2k6i h ARG 29 N 0.00 0.00 -0.15 0.81 -0.00 -1.62 0.20 114.38 113.62 2k6i h ARG 29 Ca -0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 59.98 59.85 2k6i h ARG 29 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.22 2k6i h ARG 29 CO 0.01 0.00 -0.48 0.00 -0.00 0.00 0.00 179.97 179.50 2k6i h ALA 30 N 1.67 0.89 0.00 0.08 0.00 -1.66 -2.99 119.26 117.25 2k6i h ALA 30 Ca 0.29 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 2k6i h ALA 30 Cb 1.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2k6i h ALA 30 CO -0.00 0.66 -0.68 0.93 0.00 0.00 0.00 179.25 180.16 2k6i h GLU 31 N 0.31 0.00 0.00 0.00 5.08 -0.80 -2.99 114.58 116.19 2k6i h GLU 31 Ca 0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2k6i h GLU 31 Cb 0.97 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 2k6i h GLU 31 CO 0.08 0.68 -0.12 0.37 -1.00 0.00 0.00 179.01 179.02 2k6i h GLN 32 N 0.00 0.00 0.00 2.33 4.15 -1.18 0.22 115.11 120.63 2k6i h GLN 32 Ca -0.01 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.26 2k6i h GLN 32 Cb 1.38 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.05 2k6i h GLN 32 CO 0.09 0.12 -0.85 0.82 -1.93 0.00 0.00 178.83 177.08 2k6i h ILE 33 N 0.00 1.18 0.00 2.39 2.04 -1.55 -3.36 117.51 118.20 2k6i h ILE 33 Ca -0.00 -2.21 -0.04 0.00 1.00 0.00 0.00 64.86 63.61 2k6i h ILE 33 Cb 0.28 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 2k6i h ILE 33 CO 0.02 0.40 -0.18 0.50 0.00 0.00 0.00 178.15 178.88 2k6i h LYS 34 N -1.00 0.00 -0.79 2.37 3.64 -1.44 -2.62 116.57 116.73 2k6i h LYS 34 Ca -0.23 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.29 2k6i h LYS 34 Cb 1.19 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.96 2k6i h LYS 34 CO -0.14 0.18 0.52 0.00 -2.27 0.00 0.00 179.45 177.74 2k6i h ALA 35 N 1.82 1.99 0.21 5.00 0.00 -0.70 -1.48 119.26 126.11 2k6i h ALA 35 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.59 2k6i h ALA 35 Cb 0.42 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.14 2k6i h ALA 35 CO 0.02 -0.20 -1.48 0.93 0.00 0.00 0.00 179.25 178.52 2k6i h GLU 36 N 0.52 0.45 -0.91 0.00 4.39 -1.64 -3.30 114.58 114.09 2k6i h GLU 36 Ca 0.39 -0.77 0.21 0.00 0.34 0.00 0.00 59.36 59.53 2k6i h GLU 36 Cb 0.76 0.29 -0.07 0.00 -0.10 0.00 0.00 28.75 29.63 2k6i h GLU 36 CO -0.14 1.36 0.60 0.00 -1.16 0.00 0.00 179.01 179.67 2k6i h ALA 37 N 0.26 2.24 -0.10 3.43 0.00 -1.24 0.15 119.26 124.00 2k6i h ALA 37 Ca -0.24 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k6i h ALA 37 Cb 2.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.89 2k6i h ALA 37 CO 0.24 -0.53 0.00 -0.89 0.00 0.00 0.00 179.25 178.07 2k6i n ILE 38 N -4.51 0.00 -0.10 0.00 5.41 -0.99 -0.12 119.36 119.05 2k6i n ILE 38 Ca 0.20 1.19 0.26 0.00 1.00 0.00 0.00 62.75 65.39 2k6i n ILE 38 Cb 0.72 -2.18 0.72 0.00 -0.71 0.00 0.00 39.64 38.19 2k6i n ILE 38 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2k6i h GLU 39 N 0.00 0.00 0.03 0.38 4.39 -1.62 0.19 114.58 117.95 2k6i h GLU 39 Ca 0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 2k6i h GLU 39 Cb 0.00 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2k6i h GLU 39 CO 0.00 0.00 -1.04 1.49 -1.16 0.00 0.00 179.01 178.30 2k6i h GLU 40 N 0.00 0.52 0.00 2.33 4.81 -0.68 -3.10 114.58 118.47 2k6i h GLU 40 Ca 0.35 -0.60 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2k6i h GLU 40 Cb 1.48 0.18 0.00 0.00 0.63 0.00 0.00 28.75 31.04 2k6i h GLU 40 CO -0.00 1.22 0.00 0.00 -0.73 0.00 0.00 179.01 179.50 2k6i n ALA 41 N -2.59 1.65 1.46 2.92 0.00 0.83 -1.99 120.51 122.78 2k6i n ALA 41 Ca -0.09 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.41 2k6i n ALA 41 Cb 0.89 -1.27 0.32 0.00 0.00 0.00 0.00 19.45 19.39 2k6i n ALA 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k6i n LYS 42 N -1.68 1.46 -0.14 0.00 5.02 -0.90 -4.10 118.16 117.82 2k6i n LYS 42 Ca 0.03 -0.70 0.27 0.00 -2.02 0.00 0.00 58.31 55.90 2k6i n LYS 42 Cb 0.18 -1.28 0.72 0.00 -0.02 0.00 0.00 35.03 34.63 2k6i n LYS 42 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 2k6i h LYS 43 N 1.30 0.00 0.00 1.97 -0.00 -1.57 -0.39 116.57 117.88 2k6i h LYS 43 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 60.65 60.53 2k6i h LYS 43 Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.50 2k6i h LYS 43 CO 0.00 0.00 -1.86 -0.11 -0.00 0.00 0.00 179.45 177.48 2k6i n LEU 44 N -4.17 0.00 -2.92 7.07 7.94 -1.26 -4.55 117.00 119.11 2k6i n LEU 44 Ca 0.17 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.67 2k6i n LEU 44 Cb 0.92 0.16 0.04 0.00 0.53 0.00 0.00 43.42 45.07 2k6i n LEU 44 CO 0.37 0.16 1.49 -0.38 -1.11 0.00 0.00 177.39 177.92 2k6i n ILE 45 N -2.28 3.61 -1.49 1.96 -0.00 -0.20 -5.00 119.36 115.96 2k6i n ILE 45 Ca -0.12 -4.37 -0.30 0.00 -0.00 0.00 0.00 62.75 57.96 2k6i n ILE 45 Cb 0.67 -1.25 0.23 0.00 -0.00 0.00 0.00 39.64 39.29 2k6i n ILE 45 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k6i s ALA 46 N -4.06 1.33 0.00 -1.39 0.00 -0.92 -4.86 121.76 111.86 2k6i s ALA 46 Ca 0.52 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2k6i s ALA 46 Cb 0.43 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.76 2k6i s ALA 46 CO -0.40 -3.18 0.28 0.00 0.00 0.00 0.00 175.76 172.45