#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 0.38 -0.24 3.03 0.00 -1.26 -5.04 107.32 104.19 2k6i s GLY 2 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 44.72 44.35 2k6i s GLY 2 CO 0.00 -0.32 -0.16 -0.62 0.00 0.00 0.00 173.10 172.00 2k6i n VAL 3 N 2.76 1.53 -2.80 1.40 0.31 -1.26 -4.65 118.33 115.63 2k6i n VAL 3 Ca -0.14 -0.56 -0.43 0.00 -0.01 0.00 0.00 64.34 63.20 2k6i n VAL 3 Cb 0.57 -1.51 0.01 0.00 -0.91 0.00 0.00 33.84 32.00 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 -3.40 5.78 -0.66 4.52 7.64 -1.26 -4.67 113.62 121.57 2k6i n SER 4 Ca -0.45 -3.24 0.04 0.00 1.01 0.00 0.00 58.87 56.24 2k6i n SER 4 Cb 0.98 -1.38 0.20 0.00 -1.01 0.00 0.00 64.21 63.01 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 2.42 2.25 0.20 0.44 0.24 -1.26 -4.73 118.33 117.89 2k6i n VAL 5 Ca 0.31 -2.99 0.11 0.00 -2.04 0.00 0.00 64.34 59.74 2k6i n VAL 5 Cb 0.36 -0.26 0.66 0.00 -1.47 0.00 0.00 33.84 33.13 2k6i n VAL 5 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 2k6i h MET 6 N 0.90 0.00 0.00 7.34 1.85 -1.93 -0.71 114.93 122.38 2k6i h MET 6 Ca 0.05 0.00 -0.24 0.00 -0.61 0.00 0.00 59.70 58.89 2k6i h MET 6 Cb 1.15 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 33.14 2k6i h MET 6 CO 0.09 0.00 -1.65 -1.91 -0.40 0.00 0.00 176.91 173.04 2k6i n GLU 7 N -4.47 0.63 -0.07 0.39 2.13 -1.26 -2.53 120.64 115.45 2k6i n GLU 7 Ca -0.00 0.24 -0.12 0.00 0.66 0.00 0.00 57.16 57.93 2k6i n GLU 7 Cb 0.21 -1.77 -0.05 0.00 0.27 0.00 0.00 31.44 30.09 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 1.18 0.30 0.13 4.31 0.00 -1.63 -3.26 119.26 120.29 2k6i h ALA 8 Ca -0.25 -0.28 -0.29 0.00 0.00 0.00 0.00 54.91 54.09 2k6i h ALA 8 Cb 1.85 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2k6i h ALA 8 CO 0.06 0.12 -1.35 0.82 0.00 0.00 0.00 179.25 178.91 2k6i h ILE 9 N 0.15 1.38 -3.82 0.00 2.04 -1.34 -3.43 117.51 112.50 2k6i h ILE 9 Ca 0.05 -2.96 -0.67 0.00 1.00 0.00 0.00 64.86 62.28 2k6i h ILE 9 Cb 0.57 2.90 -0.36 0.00 -0.74 0.00 0.00 36.82 39.18 2k6i h ILE 9 CO 0.03 0.86 -0.76 -0.75 0.00 0.00 0.00 178.15 177.53 2k6i s LYS 10 N -2.64 2.19 -0.79 2.37 2.20 -1.05 -5.06 119.74 116.96 2k6i s LYS 10 Ca -0.06 -1.41 -0.25 0.00 -0.36 0.00 0.00 55.97 53.89 2k6i s LYS 10 Cb 0.07 -3.01 -0.02 0.00 -1.51 0.00 0.00 37.83 33.36 2k6i s LYS 10 CO 0.88 -0.64 1.83 -1.21 -0.36 0.00 0.00 175.35 175.85 2k6i s GLU 11 N 1.11 2.71 1.19 4.03 8.01 -1.24 -4.03 118.70 130.48 2k6i s GLU 11 Ca -0.05 -0.02 -0.15 0.00 0.01 0.00 0.00 54.97 54.75 2k6i s GLU 11 Cb -0.20 -4.78 0.28 0.00 -4.31 0.00 0.00 34.13 25.13 2k6i s GLU 11 CO -0.04 -2.95 1.03 0.14 0.01 0.00 0.00 175.26 173.44 2k6i s VAL 12 N 8.98 1.81 -0.21 2.63 -7.23 -1.26 -4.98 120.40 120.13 2k6i s VAL 12 Ca 0.65 0.00 0.12 0.00 -1.81 0.00 0.00 61.98 60.93 2k6i s VAL 12 Cb -0.08 -2.23 0.42 0.00 0.56 0.00 0.00 36.38 35.05 2k6i s VAL 12 CO 0.08 0.00 1.25 0.29 -0.31 0.00 0.00 175.10 176.40 2k6i n LYS 13 N -4.88 1.60 -0.02 4.82 5.02 -1.26 -4.78 118.16 118.66 2k6i n LYS 13 Ca 0.06 -3.20 -0.01 0.00 -2.02 0.00 0.00 58.31 53.14 2k6i n LYS 13 Cb 0.57 -1.63 -0.00 0.00 -0.02 0.00 0.00 35.03 33.94 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 0.89 0.00 1.87 -0.35 4.07 -2.01 -3.48 115.31 116.30 2k6i h LEU 14 Ca 0.03 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.61 2k6i h LEU 14 Cb 1.09 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.75 2k6i h LEU 14 CO 0.05 0.24 -0.42 0.00 -1.08 0.00 0.00 178.44 177.23 2k6i n ALA 15 N -2.49 -0.43 0.17 1.53 0.00 -1.26 -4.86 120.51 113.17 2k6i n ALA 15 Ca -0.01 0.23 0.03 0.00 0.00 0.00 0.00 53.44 53.69 2k6i n ALA 15 Cb 0.04 -1.98 0.31 0.00 0.00 0.00 0.00 19.45 17.81 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 -0.51 0.00 4.11 -2.01 -3.08 114.58 113.09 2k6i h GLU 16 Ca -0.42 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.94 2k6i h GLU 16 Cb 1.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 2k6i h GLU 16 CO 0.55 0.44 0.07 1.49 0.07 0.00 0.00 179.01 181.63 2k6i h GLU 17 N 0.00 0.86 0.00 1.06 4.22 -2.02 -2.60 114.58 116.10 2k6i h GLU 17 Ca -0.00 -0.24 -0.03 0.00 0.08 0.00 0.00 59.36 59.17 2k6i h GLU 17 Cb 0.88 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 2k6i h GLU 17 CO 0.06 0.86 -0.14 0.37 -2.18 0.00 0.00 179.01 177.97 2k6i h GLN 18 N 0.74 0.00 0.00 1.92 5.75 -1.94 -1.59 115.11 119.98 2k6i h GLN 18 Ca 0.15 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.59 2k6i h GLN 18 Cb 0.42 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 2k6i h GLN 18 CO 0.01 0.14 -0.32 0.00 -2.65 0.00 0.00 178.83 176.01 2k6i h ALA 19 N 1.86 1.11 -0.44 3.38 0.00 -1.46 -2.91 119.26 120.80 2k6i h ALA 19 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2k6i h ALA 19 Cb 0.26 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2k6i h ALA 19 CO 0.02 0.41 0.25 0.28 0.00 0.00 0.00 179.25 180.20 2k6i h VAL 20 N 0.00 1.14 0.00 0.00 2.07 -1.17 0.18 116.25 118.46 2k6i h VAL 20 Ca -0.00 -0.33 -0.16 0.00 0.82 0.00 0.00 66.70 67.02 2k6i h VAL 20 Cb 0.75 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2k6i h VAL 20 CO 0.04 0.15 -0.75 0.11 0.02 0.00 0.00 177.57 177.14 2k6i h LYS 21 N 0.61 0.00 0.00 1.57 1.79 -1.61 -2.55 116.57 116.39 2k6i h LYS 21 Ca 0.16 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 2k6i h LYS 21 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2k6i h LYS 21 CO -0.03 0.75 -0.04 0.93 -1.08 0.00 0.00 179.45 179.99 2k6i h GLU 22 N 0.00 0.02 -0.35 3.15 5.08 -1.32 -1.43 114.58 119.73 2k6i h GLU 22 Ca -0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2k6i h GLU 22 Cb 1.41 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 2k6i h GLU 22 CO 0.10 0.94 0.15 -0.84 -1.00 0.00 0.00 179.01 178.35 2k6i h ILE 23 N -0.89 1.13 0.06 3.13 -0.00 -0.79 -2.30 117.51 117.86 2k6i h ILE 23 Ca -0.01 -0.40 -0.25 0.00 -0.00 0.00 0.00 64.86 64.21 2k6i h ILE 23 Cb 0.95 0.70 -0.01 0.00 -0.00 0.00 0.00 36.82 38.46 2k6i h ILE 23 CO 0.01 0.16 -1.15 1.05 -0.00 0.00 0.00 178.15 178.21 2k6i h GLU 24 N 0.49 0.13 -0.90 0.16 4.11 -1.54 -3.29 114.58 113.74 2k6i h GLU 24 Ca 0.12 -0.23 0.10 0.00 0.07 0.00 0.00 59.36 59.43 2k6i h GLU 24 Cb 0.08 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 2k6i h GLU 24 CO -0.01 1.09 0.58 1.49 0.07 0.00 0.00 179.01 182.23 2k6i h GLU 25 N 0.04 0.84 -0.39 1.06 4.57 -0.67 -0.73 114.58 119.30 2k6i h GLU 25 Ca -0.08 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 57.94 2k6i h GLU 25 Cb 1.88 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 30.26 2k6i h GLU 25 CO 0.16 0.56 -0.19 0.00 -1.18 0.00 0.00 179.01 178.35 2k6i h ALA 26 N 1.56 0.93 -0.62 2.92 0.00 -1.59 -2.99 119.26 119.47 2k6i h ALA 26 Ca 0.42 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2k6i h ALA 26 Cb 0.45 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2k6i h ALA 26 CO -0.19 0.61 0.13 0.87 0.00 0.00 0.00 179.25 180.68 2k6i h LYS 27 N 0.66 1.01 -0.87 0.00 1.57 -1.25 -2.88 116.57 114.81 2k6i h LYS 27 Ca 0.10 -0.26 0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2k6i h LYS 27 Cb 0.69 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 2k6i h LYS 27 CO 0.05 0.93 0.56 -0.91 -0.57 0.00 0.00 179.45 179.51 2k6i h ASN 28 N 0.93 0.91 -0.74 0.86 -0.26 -1.22 -1.34 115.58 114.72 2k6i h ASN 28 Ca 0.19 -0.00 0.17 0.00 -0.56 0.00 0.00 56.30 56.10 2k6i h ASN 28 Cb 0.39 -0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 37.40 2k6i h ASN 28 CO 0.01 0.62 0.50 0.03 -1.06 0.00 0.00 177.43 177.53 2k6i h ARG 29 N 1.07 0.26 0.00 0.81 2.47 -1.37 0.25 114.38 117.87 2k6i h ARG 29 Ca 0.36 -0.02 -0.12 0.00 -1.26 0.00 0.00 59.98 58.94 2k6i h ARG 29 Cb 0.05 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 2k6i h ARG 29 CO -0.13 0.17 -0.59 0.00 0.56 0.00 0.00 179.97 179.99 2k6i h ALA 30 N 1.65 0.96 -0.00 0.04 0.00 -1.27 -3.04 119.26 117.61 2k6i h ALA 30 Ca 0.36 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 2k6i h ALA 30 Cb 1.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2k6i h ALA 30 CO -0.09 0.73 -0.71 0.93 0.00 0.00 0.00 179.25 180.11 2k6i h GLU 31 N 0.00 0.02 0.00 0.00 5.08 -0.41 -2.10 114.58 117.17 2k6i h GLU 31 Ca -0.01 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2k6i h GLU 31 Cb 1.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 2k6i h GLU 31 CO 0.08 0.72 -0.14 1.96 -1.00 0.00 0.00 179.01 180.62 2k6i h GLN 32 N 0.01 0.00 0.02 2.33 4.20 -1.27 -1.83 115.11 118.58 2k6i h GLN 32 Ca -0.01 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.42 2k6i h GLN 32 Cb 1.26 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.00 2k6i h GLN 32 CO 0.09 0.14 -1.53 -0.89 -0.67 0.00 0.00 178.83 175.98 2k6i n ILE 33 N -3.91 1.57 0.24 2.54 2.08 -1.15 -4.12 119.36 116.61 2k6i n ILE 33 Ca -0.02 -0.17 0.18 0.00 0.56 0.00 0.00 62.75 63.30 2k6i n ILE 33 Cb 0.24 -1.97 0.88 0.00 -0.75 0.00 0.00 39.64 38.04 2k6i n ILE 33 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2k6i h LYS 34 N -0.83 0.00 -0.64 0.38 3.64 -1.34 -0.97 116.57 116.81 2k6i h LYS 34 Ca -0.40 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.16 2k6i h LYS 34 Cb 1.46 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.25 2k6i h LYS 34 CO -0.19 0.00 0.47 0.00 -2.27 0.00 0.00 179.45 177.46 2k6i h ALA 35 N 1.73 2.60 -0.00 5.00 0.00 -1.48 -0.87 119.26 126.24 2k6i h ALA 35 Ca 0.07 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2k6i h ALA 35 Cb 0.47 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2k6i h ALA 35 CO -0.00 -0.80 -0.55 0.93 0.00 0.00 0.00 179.25 178.82 2k6i h GLU 36 N 0.00 0.38 -0.87 0.00 3.07 -1.41 -1.67 114.58 114.07 2k6i h GLU 36 Ca 0.31 -0.40 0.25 0.00 -0.50 0.00 0.00 59.36 59.01 2k6i h GLU 36 Cb 1.24 0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 29.23 2k6i h GLU 36 CO -0.00 1.08 0.62 0.00 -1.40 0.00 0.00 179.01 179.31 2k6i h ALA 37 N 0.31 2.80 0.00 3.43 0.00 -1.28 0.21 119.26 124.72 2k6i h ALA 37 Ca -0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2k6i h ALA 37 Cb 1.27 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2k6i h ALA 37 CO 0.11 -1.05 -1.70 -0.89 0.00 0.00 0.00 179.25 175.73 2k6i n ILE 38 N -4.29 0.68 0.33 0.00 -0.00 -1.09 -4.10 119.36 110.88 2k6i n ILE 38 Ca 0.18 -0.62 0.20 0.00 -0.00 0.00 0.00 62.75 62.51 2k6i n ILE 38 Cb 0.92 -0.34 1.07 0.00 -0.00 0.00 0.00 39.64 41.29 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 0.41 -0.69 114.58 119.10 2k6i h GLU 39 Ca -0.13 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.31 2k6i h GLU 39 Cb 1.36 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.03 2k6i h GLU 39 CO 0.02 0.00 -1.03 1.49 -1.16 0.00 0.00 179.01 178.32 2k6i h GLU 40 N 0.00 0.65 0.00 2.33 4.81 -1.68 -3.24 114.58 117.44 2k6i h GLU 40 Ca 0.01 -0.74 -0.08 0.00 -0.13 0.00 0.00 59.36 58.42 2k6i h GLU 40 Cb 0.22 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2k6i h GLU 40 CO -0.00 1.31 -0.40 0.00 -0.73 0.00 0.00 179.01 179.20 2k6i h ALA 41 N 0.36 0.88 0.00 2.92 0.00 -1.39 -3.05 119.26 118.97 2k6i h ALA 41 Ca -0.14 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2k6i h ALA 41 Cb 1.70 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 2k6i h ALA 41 CO 0.20 0.50 -0.14 -0.22 0.00 0.00 0.00 179.25 179.59 2k6i h LYS 42 N 0.00 0.00 -0.15 0.00 1.63 -1.35 -2.13 116.57 114.57 2k6i h LYS 42 Ca -0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.75 2k6i h LYS 42 Cb 1.05 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.67 2k6i h LYS 42 CO 0.05 0.14 -0.10 -0.22 -3.45 0.00 0.00 179.45 175.87 2k6i h LYS 43 N 0.00 0.22 -3.75 1.90 1.63 -1.60 -3.35 116.57 111.63 2k6i h LYS 43 Ca -0.00 -0.05 -0.65 0.00 -0.85 0.00 0.00 60.65 59.11 2k6i h LYS 43 Cb 0.32 -0.03 -0.41 0.00 -0.60 0.00 0.00 32.23 31.51 2k6i h LYS 43 CO 0.02 0.34 -0.65 -0.48 -3.45 0.00 0.00 179.45 175.23 2k6i s LEU 44 N -8.82 4.46 0.00 5.20 2.34 -0.80 -4.86 118.68 116.20 2k6i s LEU 44 Ca -0.05 -2.78 0.00 0.00 0.06 0.00 0.00 54.13 51.36 2k6i s LEU 44 Cb 0.16 -1.64 0.00 0.00 -0.56 0.00 0.00 46.19 44.14 2k6i s LEU 44 CO 0.73 -0.28 0.00 -0.38 -1.06 0.00 0.00 176.35 175.36 2k6i n ILE 45 N 3.43 0.00 -3.81 1.48 2.08 -1.26 -4.95 119.36 116.34 2k6i n ILE 45 Ca 0.05 0.00 -0.36 0.00 0.56 0.00 0.00 62.75 63.00 2k6i n ILE 45 Cb 0.35 -1.06 -0.12 0.00 -0.75 0.00 0.00 39.64 38.07 2k6i n ILE 45 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k6i s ALA 46 N -1.95 3.26 -1.33 -1.39 0.00 -1.26 -5.19 121.76 113.90 2k6i s ALA 46 Ca 0.00 -1.03 0.11 0.00 0.00 0.00 0.00 51.96 51.03 2k6i s ALA 46 Cb 0.00 -2.09 0.08 0.00 0.00 0.00 0.00 23.12 21.12 2k6i s ALA 46 CO 0.00 -0.33 0.84 0.00 0.00 0.00 0.00 175.76 176.27