#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 1.61 3.20 -5.12 0.00 -1.26 -5.02 105.19 98.60 2k6i n GLY 2 Ca 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 2k6i n GLY 2 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k6i n VAL 3 N 0.00 -8.62 -2.44 1.61 0.31 -1.26 -4.96 118.33 102.97 2k6i n VAL 3 Ca 0.00 -1.23 -0.10 0.00 -0.01 0.00 0.00 64.34 63.00 2k6i n VAL 3 Cb 0.00 -6.27 0.04 0.00 -0.91 0.00 0.00 33.84 26.70 2k6i n VAL 3 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2k6i n SER 4 N -3.16 3.03 -2.18 4.52 7.64 -1.26 -4.82 113.62 117.40 2k6i n SER 4 Ca -0.09 -2.83 -0.21 0.00 1.01 0.00 0.00 58.87 56.75 2k6i n SER 4 Cb 0.62 -0.41 0.20 0.00 -1.01 0.00 0.00 64.21 63.60 2k6i n SER 4 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2k6i n VAL 5 N -0.63 3.16 0.22 0.44 0.24 -1.26 -4.55 118.33 115.95 2k6i n VAL 5 Ca 0.24 -1.90 0.15 0.00 -2.04 0.00 0.00 64.34 60.78 2k6i n VAL 5 Cb 0.88 -0.45 0.80 0.00 -1.47 0.00 0.00 33.84 33.60 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 1.22 0.00 0.00 7.34 2.07 -1.89 -0.06 114.93 123.61 2k6i h MET 6 Ca 0.58 0.00 -0.35 0.00 -2.07 0.00 0.00 59.70 57.87 2k6i h MET 6 Cb 2.78 0.00 -0.07 0.00 -1.87 0.00 0.00 31.60 32.45 2k6i h MET 6 CO 1.05 0.00 -2.34 -1.91 1.07 0.00 0.00 176.91 174.77 2k6i n GLU 7 N -4.00 0.76 -0.19 1.72 2.13 -1.26 -3.61 120.64 116.19 2k6i n GLU 7 Ca 0.01 -0.02 -0.10 0.00 0.66 0.00 0.00 57.16 57.71 2k6i n GLU 7 Cb 0.25 -1.51 0.01 0.00 0.27 0.00 0.00 31.44 30.47 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 1.02 0.76 0.05 4.31 0.00 -1.68 -3.34 119.26 120.39 2k6i h ALA 8 Ca -0.51 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.05 2k6i h ALA 8 Cb 2.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2k6i h ALA 8 CO 0.03 0.67 -0.03 0.82 0.00 0.00 0.00 179.25 180.74 2k6i h ILE 9 N 0.93 0.00 -1.37 0.00 1.08 -1.24 -3.49 117.51 113.42 2k6i h ILE 9 Ca 0.15 -0.76 0.12 0.00 -0.39 0.00 0.00 64.86 63.98 2k6i h ILE 9 Cb 0.66 0.00 -0.29 0.00 -3.07 0.00 0.00 36.82 34.12 2k6i h ILE 9 CO 0.05 0.00 0.62 -1.59 -0.69 0.00 0.00 178.15 176.53 2k6i s LYS 10 N -1.71 0.30 -0.54 2.37 -2.85 -1.24 -5.11 119.74 110.96 2k6i s LYS 10 Ca -0.01 0.39 -0.28 0.00 -1.00 0.00 0.00 55.97 55.06 2k6i s LYS 10 Cb 0.00 0.13 0.01 0.00 -2.06 0.00 0.00 37.83 35.92 2k6i s LYS 10 CO 0.03 -0.04 1.41 -2.00 0.10 0.00 0.00 175.35 174.85 2k6i s GLU 11 N 0.36 3.34 0.00 1.78 2.12 -1.25 -4.51 118.70 120.55 2k6i s GLU 11 Ca 0.02 0.52 0.00 0.00 0.36 0.00 0.00 54.97 55.88 2k6i s GLU 11 Cb -0.05 -4.11 0.00 0.00 0.26 0.00 0.00 34.13 30.24 2k6i s GLU 11 CO -0.11 -1.88 0.00 1.33 -0.54 0.00 0.00 175.26 174.06 2k6i n VAL 12 N 6.89 0.00 -2.82 3.70 0.24 -1.26 -5.03 118.33 120.05 2k6i n VAL 12 Ca 0.13 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.24 2k6i n VAL 12 Cb 0.49 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 2k6i n VAL 12 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2k6i n LYS 13 N -2.00 -3.11 0.11 7.34 5.02 -1.26 -4.88 118.16 119.38 2k6i n LYS 13 Ca 0.00 0.70 -0.13 0.00 -2.02 0.00 0.00 58.31 56.86 2k6i n LYS 13 Cb 0.05 -5.40 -0.08 0.00 -0.02 0.00 0.00 35.03 29.58 2k6i n LYS 13 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2k6i h LEU 14 N -0.60 -1.27 1.86 -0.35 -0.00 -1.96 -3.45 115.31 109.54 2k6i h LEU 14 Ca -0.42 0.13 -0.38 0.00 -0.00 0.00 0.00 57.88 57.22 2k6i h LEU 14 Cb 1.29 0.46 -0.08 0.00 -0.00 0.00 0.00 40.66 42.34 2k6i h LEU 14 CO 0.48 -0.46 -0.42 0.00 -0.00 0.00 0.00 178.44 178.04 2k6i n ALA 15 N -2.82 -0.43 0.13 1.53 0.00 -1.26 -4.86 120.51 112.80 2k6i n ALA 15 Ca -0.07 0.22 0.01 0.00 0.00 0.00 0.00 53.44 53.60 2k6i n ALA 15 Cb 0.34 -1.96 0.06 0.00 0.00 0.00 0.00 19.45 17.88 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 0.00 0.00 4.11 -2.01 -3.18 114.58 113.50 2k6i h GLU 16 Ca -0.42 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.00 2k6i h GLU 16 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 2k6i h GLU 16 CO 0.54 0.57 -0.06 1.49 0.07 0.00 0.00 179.01 181.62 2k6i h GLU 17 N 0.00 0.00 0.00 1.06 4.57 -2.00 -1.47 114.58 116.74 2k6i h GLU 17 Ca -0.01 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2k6i h GLU 17 Cb 1.36 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.94 2k6i h GLU 17 CO 0.07 0.06 -0.22 1.96 -1.18 0.00 0.00 179.01 179.71 2k6i h GLN 18 N 0.00 0.00 0.04 1.92 1.08 -1.95 0.12 115.11 116.31 2k6i h GLN 18 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k6i h GLN 18 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2k6i h GLN 18 CO 0.01 0.22 -0.02 0.00 -0.95 0.00 0.00 178.83 178.09 2k6i h ALA 19 N 1.78 -0.05 -0.37 3.87 0.00 -1.46 -2.12 119.26 120.92 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 0.39 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2k6i h ALA 19 CO 0.03 -0.09 0.08 -0.39 0.00 0.00 0.00 179.25 178.88 2k6i h VAL 20 N -0.94 1.18 -0.14 0.00 -1.51 -1.47 0.94 116.25 114.31 2k6i h VAL 20 Ca -0.01 -0.63 -0.20 0.00 -1.23 0.00 0.00 66.70 64.63 2k6i h VAL 20 Cb 0.62 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 2k6i h VAL 20 CO 0.01 0.23 -0.72 0.50 -1.23 0.00 0.00 177.57 176.35 2k6i h LYS 21 N 0.53 0.62 0.10 5.19 3.64 -0.87 -1.91 116.57 123.88 2k6i h LYS 21 Ca 0.12 -0.49 -0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2k6i h LYS 21 Cb 0.23 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2k6i h LYS 21 CO -0.00 1.11 -0.05 0.93 -2.27 0.00 0.00 179.45 179.17 2k6i h GLU 22 N 0.44 -0.12 -0.36 1.90 4.39 -0.96 -2.81 114.58 117.06 2k6i h GLU 22 Ca -0.03 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.69 2k6i h GLU 22 Cb 1.32 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.98 2k6i h GLU 22 CO 0.14 0.38 0.24 -0.84 -1.16 0.00 0.00 179.01 177.77 2k6i h ILE 23 N -0.75 1.07 -0.54 3.13 -0.00 -0.92 -2.11 117.51 117.39 2k6i h ILE 23 Ca -0.01 -0.16 -0.07 0.00 -0.00 0.00 0.00 64.86 64.62 2k6i h ILE 23 Cb 0.56 0.58 -0.02 0.00 -0.00 0.00 0.00 36.82 37.94 2k6i h ILE 23 CO 0.02 0.08 0.05 -0.08 -0.00 0.00 0.00 178.15 178.23 2k6i h GLU 24 N 0.45 0.92 -0.46 0.16 4.81 -1.36 -2.56 114.58 116.54 2k6i h GLU 24 Ca 0.14 -0.26 0.13 0.00 -0.13 0.00 0.00 59.36 59.23 2k6i h GLU 24 Cb -0.01 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2k6i h GLU 24 CO -0.03 0.91 0.39 1.49 -0.73 0.00 0.00 179.01 181.03 2k6i h GLU 25 N 0.80 0.00 -0.28 1.92 4.81 -1.10 -0.83 114.58 119.90 2k6i h GLU 25 Ca 0.16 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2k6i h GLU 25 Cb 0.46 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2k6i h GLU 25 CO 0.02 0.00 0.11 0.00 -0.73 0.00 0.00 179.01 178.41 2k6i h ALA 26 N 1.66 0.37 0.00 2.92 0.00 -1.45 -2.53 119.26 120.22 2k6i h ALA 26 Ca 0.22 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2k6i h ALA 26 Cb 0.99 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2k6i h ALA 26 CO -0.00 -0.03 -0.22 0.87 0.00 0.00 0.00 179.25 179.87 2k6i h LYS 27 N 0.30 0.00 0.00 0.00 1.57 -1.24 -2.37 116.57 114.83 2k6i h LYS 27 Ca 0.09 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2k6i h LYS 27 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2k6i h LYS 27 CO -0.01 0.22 -0.17 -0.91 -0.57 0.00 0.00 179.45 178.01 2k6i h ASN 28 N 0.00 0.00 -0.62 0.86 -0.26 -1.11 -2.51 115.58 111.95 2k6i h ASN 28 Ca -0.00 0.00 0.17 0.00 -0.56 0.00 0.00 56.30 55.91 2k6i h ASN 28 Cb 0.53 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.76 2k6i h ASN 28 CO 0.03 0.17 0.44 0.03 -1.06 0.00 0.00 177.43 177.04 2k6i h ARG 29 N 0.00 0.04 -0.01 0.81 3.08 -1.33 0.24 114.38 117.21 2k6i h ARG 29 Ca -0.00 -0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 2k6i h ARG 29 Cb 0.39 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2k6i h ARG 29 CO 0.02 0.02 -0.68 0.00 -1.07 0.00 0.00 179.97 178.27 2k6i h ALA 30 N 1.69 0.86 0.00 0.04 0.00 -1.64 -3.04 119.26 117.19 2k6i h ALA 30 Ca 0.29 -0.62 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 2k6i h ALA 30 Cb 1.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2k6i h ALA 30 CO -0.01 0.84 -0.37 0.93 0.00 0.00 0.00 179.25 180.64 2k6i h GLU 31 N 0.02 0.00 -0.11 0.00 5.08 -0.67 -2.92 114.58 115.97 2k6i h GLU 31 Ca -0.01 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2k6i h GLU 31 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 2k6i h GLU 31 CO 0.09 0.37 0.12 1.96 -1.00 0.00 0.00 179.01 180.55 2k6i h GLN 32 N 0.00 0.00 0.00 2.33 4.20 -1.34 0.25 115.11 120.54 2k6i h GLN 32 Ca -0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 2k6i h GLN 32 Cb 0.89 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.64 2k6i h GLN 32 CO 0.05 0.00 -0.98 0.82 -0.67 0.00 0.00 178.83 178.05 2k6i h ILE 33 N 0.00 1.08 0.00 2.54 5.03 -1.67 -3.36 117.51 121.13 2k6i h ILE 33 Ca 0.05 -2.19 -0.02 0.00 -0.12 0.00 0.00 64.86 62.59 2k6i h ILE 33 Cb 0.30 2.42 -0.00 0.00 -3.03 0.00 0.00 36.82 36.51 2k6i h ILE 33 CO -0.00 0.37 -0.08 0.11 -0.68 0.00 0.00 178.15 177.87 2k6i h LYS 34 N -1.00 0.00 -0.65 2.37 1.57 -1.47 -2.21 116.57 115.19 2k6i h LYS 34 Ca -0.27 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.66 2k6i h LYS 34 Cb 1.22 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 2k6i h LYS 34 CO -0.16 0.08 0.45 0.00 -0.57 0.00 0.00 179.45 179.24 2k6i h ALA 35 N 1.92 2.29 0.22 3.86 0.00 -0.66 -1.11 119.26 125.77 2k6i h ALA 35 Ca -0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 2k6i h ALA 35 Cb 0.20 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.00 2k6i h ALA 35 CO 0.01 -0.46 -1.49 0.93 0.00 0.00 0.00 179.25 178.24 2k6i h GLU 36 N 0.23 0.46 -0.93 0.00 4.39 -1.59 -3.30 114.58 113.84 2k6i h GLU 36 Ca 0.31 -0.79 0.21 0.00 0.34 0.00 0.00 59.36 59.43 2k6i h GLU 36 Cb 0.91 0.30 -0.07 0.00 -0.10 0.00 0.00 28.75 29.79 2k6i h GLU 36 CO -0.06 1.37 0.61 0.00 -1.16 0.00 0.00 179.01 179.77 2k6i h ALA 37 N 0.24 2.16 -0.02 3.43 0.00 -1.23 0.18 119.26 124.01 2k6i h ALA 37 Ca -0.25 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2k6i h ALA 37 Cb 2.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.88 2k6i h ALA 37 CO 0.25 -0.46 0.00 -0.89 0.00 0.00 0.00 179.25 178.15 2k6i n ILE 38 N -4.54 0.00 -0.10 0.00 5.41 -1.05 -0.11 119.36 118.97 2k6i n ILE 38 Ca 0.20 1.20 0.26 0.00 1.00 0.00 0.00 62.75 65.41 2k6i n ILE 38 Cb 0.70 -2.20 0.72 0.00 -0.71 0.00 0.00 39.64 38.14 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 5.08 -1.61 0.19 114.58 118.64 2k6i h GLU 39 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 2k6i h GLU 39 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2k6i h GLU 39 CO 0.00 0.00 -1.05 0.93 -1.00 0.00 0.00 179.01 177.89 2k6i h GLU 40 N 0.00 0.55 0.00 2.33 4.39 -0.61 -3.18 114.58 118.05 2k6i h GLU 40 Ca 0.35 -0.63 -0.03 0.00 0.34 0.00 0.00 59.36 59.39 2k6i h GLU 40 Cb 1.48 0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 30.31 2k6i h GLU 40 CO -0.00 1.24 -0.15 0.00 -1.16 0.00 0.00 179.01 178.94 2k6i h ALA 41 N 0.53 1.18 -0.79 3.43 0.00 0.26 -2.78 119.26 121.10 2k6i h ALA 41 Ca -0.12 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 54.88 2k6i h ALA 41 Cb 1.70 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 2k6i h ALA 41 CO 0.19 0.19 0.57 -0.22 0.00 0.00 0.00 179.25 179.98 2k6i h LYS 42 N 0.00 0.00 0.46 0.00 1.63 -1.34 -1.52 116.57 115.81 2k6i h LYS 42 Ca -0.00 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2k6i h LYS 42 Cb 0.47 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2k6i h LYS 42 CO 0.02 0.00 -0.22 -0.22 -3.45 0.00 0.00 179.45 175.58 2k6i h LYS 43 N 0.00 -0.60 -1.32 1.90 1.63 -1.68 -3.47 116.57 113.03 2k6i h LYS 43 Ca 0.37 0.04 0.14 0.00 -0.85 0.00 0.00 60.65 60.36 2k6i h LYS 43 Cb 1.50 0.14 -0.30 0.00 -0.60 0.00 0.00 32.23 32.97 2k6i h LYS 43 CO -0.01 -0.35 0.61 -0.48 -3.45 0.00 0.00 179.45 175.78 2k6i s LEU 44 N -9.89 -0.28 0.00 5.20 2.34 -0.57 -5.09 118.68 110.39 2k6i s LEU 44 Ca -0.16 0.48 0.00 0.00 0.06 0.00 0.00 54.13 54.51 2k6i s LEU 44 Cb 0.03 1.46 0.00 0.00 -0.56 0.00 0.00 46.19 47.13 2k6i s LEU 44 CO 0.60 -0.08 0.00 -0.38 -1.06 0.00 0.00 176.35 175.43 2k6i n ILE 45 N 2.73 0.00 0.06 1.48 -0.00 -1.25 -4.82 119.36 117.56 2k6i n ILE 45 Ca -0.15 0.14 0.02 0.00 -0.00 0.00 0.00 62.75 62.76 2k6i n ILE 45 Cb 0.57 -1.07 -0.02 0.00 -0.00 0.00 0.00 39.64 39.11 2k6i n ILE 45 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k6i n ALA 46 N -2.21 2.24 -0.18 -1.39 0.00 -1.26 -5.20 120.51 112.50 2k6i n ALA 46 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2k6i n ALA 46 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.34 2k6i n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50