#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 2.68 0.00 3.17 0.00 -1.26 -4.92 107.32 106.99 2k6i s GLY 2 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 44.72 45.97 2k6i s GLY 2 CO 0.00 2.06 0.00 3.33 0.00 0.00 0.00 173.10 178.49 2k6i n VAL 3 N 1.65 0.00 -3.64 1.40 0.24 -1.26 -4.90 118.33 111.82 2k6i n VAL 3 Ca 0.03 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.96 2k6i n VAL 3 Cb 0.41 -0.64 -0.07 0.00 -1.47 0.00 0.00 33.84 32.07 2k6i n VAL 3 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2k6i s SER 4 N -3.55 5.85 -0.40 -1.34 1.04 -1.26 -4.87 113.70 109.17 2k6i s SER 4 Ca 0.00 -3.44 0.05 0.00 0.48 0.00 0.00 55.95 53.04 2k6i s SER 4 Cb 0.00 -1.91 0.50 0.00 0.10 0.00 0.00 66.02 64.70 2k6i s SER 4 CO 0.00 -0.25 1.58 1.33 0.98 0.00 0.00 173.24 176.88 2k6i n VAL 5 N 2.73 2.88 -0.14 5.02 0.24 -1.26 -4.71 118.33 123.09 2k6i n VAL 5 Ca 0.17 -3.11 0.19 0.00 -2.04 0.00 0.00 64.34 59.56 2k6i n VAL 5 Cb 0.38 -0.75 0.58 0.00 -1.47 0.00 0.00 33.84 32.57 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 1.55 0.25 0.00 7.34 1.85 -1.95 0.24 114.93 124.21 2k6i h MET 6 Ca 0.40 -0.01 -0.27 0.00 -0.61 0.00 0.00 59.70 59.20 2k6i h MET 6 Cb 1.55 -0.06 -0.05 0.00 0.43 0.00 0.00 31.60 33.47 2k6i h MET 6 CO 0.85 0.16 -2.09 -0.85 -0.40 0.00 0.00 176.91 174.59 2k6i n GLU 7 N -4.43 0.67 0.21 0.39 0.28 -1.26 -4.07 120.64 112.42 2k6i n GLU 7 Ca 0.15 0.04 0.08 0.00 -0.16 0.00 0.00 57.16 57.26 2k6i n GLU 7 Cb 0.63 -1.60 0.40 0.00 1.43 0.00 0.00 31.44 32.31 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 1.21 1.03 0.00 -1.84 0.00 -1.56 -2.87 119.26 115.23 2k6i h ALA 8 Ca -0.37 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.15 2k6i h ALA 8 Cb 1.93 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 2k6i h ALA 8 CO 0.03 0.38 -0.56 0.97 0.00 0.00 0.00 179.25 180.07 2k6i h ILE 9 N 0.00 0.89 -1.55 0.00 6.09 -0.74 -3.46 117.51 118.73 2k6i h ILE 9 Ca -0.00 -2.27 0.09 0.00 -1.37 0.00 0.00 64.86 61.31 2k6i h ILE 9 Cb 0.80 2.43 -0.27 0.00 0.47 0.00 0.00 36.82 40.26 2k6i h ILE 9 CO 0.04 0.51 0.42 -1.59 -3.07 0.00 0.00 178.15 174.46 2k6i s LYS 10 N -2.95 0.43 -0.23 2.19 -2.85 -1.08 -5.12 119.74 110.13 2k6i s LYS 10 Ca 0.04 0.63 -0.03 0.00 -1.00 0.00 0.00 55.97 55.60 2k6i s LYS 10 Cb 0.08 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 2k6i s LYS 10 CO 0.75 -0.07 -0.04 -1.21 0.10 0.00 0.00 175.35 174.88 2k6i s GLU 11 N 0.85 3.24 -0.04 1.78 2.02 -1.25 -4.38 118.70 120.91 2k6i s GLU 11 Ca -0.03 -0.72 -0.30 0.00 0.02 0.00 0.00 54.97 53.94 2k6i s GLU 11 Cb -0.04 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 2k6i s GLU 11 CO -0.12 -0.25 1.29 0.14 0.02 0.00 0.00 175.26 176.34 2k6i s VAL 12 N 1.44 4.04 -0.08 2.63 -7.23 -1.26 -4.88 120.40 115.07 2k6i s VAL 12 Ca 0.05 1.38 0.05 0.00 -1.81 0.00 0.00 61.98 61.64 2k6i s VAL 12 Cb -0.15 -3.89 -0.07 0.00 0.56 0.00 0.00 36.38 32.84 2k6i s VAL 12 CO -0.04 -0.01 0.14 2.29 -0.31 0.00 0.00 175.10 177.17 2k6i n LYS 13 N 5.42 1.98 0.00 4.82 2.85 -1.26 -4.83 118.16 127.13 2k6i n LYS 13 Ca 0.12 -0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 2k6i n LYS 13 Cb 0.45 -0.98 0.00 0.00 -0.65 0.00 0.00 35.03 33.85 2k6i n LYS 13 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k6i n LEU 14 N -1.48 0.86 -2.27 -5.58 4.77 -1.26 -4.93 117.00 107.12 2k6i n LEU 14 Ca -0.00 0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 2k6i n LEU 14 Cb 0.11 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 2k6i n LEU 14 CO 0.10 -0.31 -0.17 0.00 -1.33 0.00 0.00 177.39 175.68 2k6i n ALA 15 N -1.60 -0.66 0.10 -1.18 0.00 -1.26 -4.82 120.51 111.08 2k6i n ALA 15 Ca 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 2k6i n ALA 15 Cb 0.00 -1.59 -0.01 0.00 0.00 0.00 0.00 19.45 17.84 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 -0.07 0.00 5.08 -2.02 -3.19 114.58 114.38 2k6i h GLU 16 Ca -0.32 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.06 2k6i h GLU 16 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2k6i h GLU 16 CO 0.39 0.81 0.06 0.93 -1.00 0.00 0.00 179.01 180.19 2k6i h GLU 17 N 0.00 0.00 0.00 2.33 5.08 -2.02 -0.15 114.58 119.81 2k6i h GLU 17 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2k6i h GLU 17 Cb 1.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 2k6i h GLU 17 CO 0.10 0.00 -0.19 0.37 -1.00 0.00 0.00 179.01 178.29 2k6i h GLN 18 N 0.00 0.00 0.00 2.33 5.75 -1.95 -2.14 115.11 119.11 2k6i h GLN 18 Ca 0.03 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.45 2k6i h GLN 18 Cb 0.14 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 2k6i h GLN 18 CO -0.00 0.19 -0.41 0.00 -2.65 0.00 0.00 178.83 175.96 2k6i h ALA 19 N 1.81 0.79 -0.83 3.38 0.00 -1.19 -3.24 119.26 119.98 2k6i h ALA 19 Ca -0.00 -0.37 0.18 0.00 0.00 0.00 0.00 54.91 54.71 2k6i h ALA 19 Cb 0.46 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 2k6i h ALA 19 CO 0.02 0.51 0.55 0.28 0.00 0.00 0.00 179.25 180.62 2k6i h VAL 20 N 0.00 0.73 0.00 0.00 2.07 -1.36 0.30 116.25 117.99 2k6i h VAL 20 Ca -0.00 -0.14 -0.12 0.00 0.82 0.00 0.00 66.70 67.25 2k6i h VAL 20 Cb 1.19 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2k6i h VAL 20 CO 0.05 0.07 -0.59 0.07 0.02 0.00 0.00 177.57 177.20 2k6i h LYS 21 N 0.41 0.00 0.05 1.57 5.09 -1.70 -2.61 116.57 119.38 2k6i h LYS 21 Ca 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 61.16 2k6i h LYS 21 Cb 1.02 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.35 2k6i h LYS 21 CO -0.14 0.59 -0.02 1.49 -2.09 0.00 0.00 179.45 179.27 2k6i h GLU 22 N 0.00 -0.06 -0.85 0.07 4.81 -0.67 -1.86 114.58 116.02 2k6i h GLU 22 Ca -0.01 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.44 2k6i h GLU 22 Cb 1.06 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.40 2k6i h GLU 22 CO 0.08 0.19 0.58 -0.84 -0.73 0.00 0.00 179.01 178.29 2k6i h ILE 23 N -1.00 0.66 0.04 2.32 -0.00 -1.05 0.15 117.51 118.62 2k6i h ILE 23 Ca -0.01 -0.08 -0.00 0.00 -0.00 0.00 0.00 64.86 64.77 2k6i h ILE 23 Cb 0.29 0.39 0.00 0.00 -0.00 0.00 0.00 36.82 37.50 2k6i h ILE 23 CO 0.01 0.04 -0.02 -0.08 -0.00 0.00 0.00 178.15 178.11 2k6i h GLU 24 N 0.24 -0.05 -0.75 0.16 4.57 -1.56 -2.64 114.58 114.55 2k6i h GLU 24 Ca 0.42 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.72 2k6i h GLU 24 Cb 1.28 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.83 2k6i h GLU 24 CO -0.10 0.56 0.49 1.49 -1.18 0.00 0.00 179.01 180.27 2k6i h GLU 25 N -0.94 0.54 -0.04 1.92 4.81 -0.63 -1.71 114.58 118.54 2k6i h GLU 25 Ca -0.01 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2k6i h GLU 25 Cb 0.63 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2k6i h GLU 25 CO 0.01 0.36 -0.05 0.00 -0.73 0.00 0.00 179.01 178.60 2k6i h ALA 26 N 1.64 0.06 -0.85 2.92 0.00 -0.81 -3.09 119.26 119.13 2k6i h ALA 26 Ca 0.35 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 55.11 2k6i h ALA 26 Cb 0.61 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2k6i h ALA 26 CO -0.13 -0.14 0.55 -0.22 0.00 0.00 0.00 179.25 179.32 2k6i h LYS 27 N -0.37 0.69 -0.81 0.00 3.11 -0.99 -0.56 116.57 117.63 2k6i h LYS 27 Ca 0.01 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 57.78 2k6i h LYS 27 Cb 0.57 -0.15 -0.04 0.00 -1.00 0.00 0.00 32.23 31.61 2k6i h LYS 27 CO 0.01 0.45 0.40 -0.91 -2.81 0.00 0.00 179.45 176.60 2k6i h ASN 28 N 0.71 1.04 -0.84 4.20 -0.26 -1.30 -2.28 115.58 116.85 2k6i h ASN 28 Ca 0.41 -0.11 0.15 0.00 -0.56 0.00 0.00 56.30 56.19 2k6i h ASN 28 Cb 0.61 -0.27 -0.06 0.00 -1.06 0.00 0.00 38.32 37.54 2k6i h ASN 28 CO -0.18 0.87 0.55 0.03 -1.06 0.00 0.00 177.43 177.64 2k6i h ARG 29 N 1.15 0.54 -0.36 0.81 3.08 -1.01 0.48 114.38 119.06 2k6i h ARG 29 Ca 0.28 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.21 2k6i h ARG 29 Cb 0.09 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2k6i h ARG 29 CO -0.04 0.36 -0.15 0.00 -1.07 0.00 0.00 179.97 179.07 2k6i h ALA 30 N 1.62 1.07 0.00 0.04 0.00 -1.39 -2.60 119.26 118.00 2k6i h ALA 30 Ca 0.42 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2k6i h ALA 30 Cb 0.81 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2k6i h ALA 30 CO -0.17 0.57 -0.27 1.49 0.00 0.00 0.00 179.25 180.87 2k6i h GLU 31 N 0.59 0.00 0.00 0.00 4.81 -0.88 -1.87 114.58 117.22 2k6i h GLU 31 Ca 0.10 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2k6i h GLU 31 Cb 0.59 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2k6i h GLU 31 CO 0.04 0.27 -0.20 0.37 -0.73 0.00 0.00 179.01 178.76 2k6i h GLN 32 N 0.00 0.00 0.00 1.92 -0.00 -1.11 -0.22 115.11 115.70 2k6i h GLN 32 Ca -0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.43 2k6i h GLN 32 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.97 2k6i h GLN 32 CO 0.03 0.20 -1.20 0.82 0.00 0.00 0.00 178.83 178.68 2k6i h ILE 33 N 0.00 0.94 0.00 2.39 2.04 -1.43 -3.37 117.51 118.08 2k6i h ILE 33 Ca -0.00 -2.18 -0.01 0.00 1.00 0.00 0.00 64.86 63.67 2k6i h ILE 33 Cb 0.47 2.25 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 2k6i h ILE 33 CO 0.03 0.32 -0.07 0.50 0.00 0.00 0.00 178.15 178.93 2k6i h LYS 34 N -1.00 0.00 -0.55 2.37 3.64 -1.36 -2.04 116.57 117.63 2k6i h LYS 34 Ca -0.33 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.20 2k6i h LYS 34 Cb 1.29 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 2k6i h LYS 34 CO -0.20 0.07 0.39 0.00 -2.27 0.00 0.00 179.45 177.44 2k6i h ALA 35 N 1.93 2.49 -0.01 5.00 0.00 -1.19 0.15 119.26 127.62 2k6i h ALA 35 Ca -0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2k6i h ALA 35 Cb 0.16 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2k6i h ALA 35 CO 0.01 -0.64 -0.72 0.93 0.00 0.00 0.00 179.25 178.83 2k6i h GLU 36 N 0.03 0.10 0.00 0.00 4.39 -1.57 -2.82 114.58 114.70 2k6i h GLU 36 Ca 0.26 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 2k6i h GLU 36 Cb 1.02 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 2k6i h GLU 36 CO -0.01 0.78 -0.26 0.00 -1.16 0.00 0.00 179.01 178.36 2k6i h ALA 37 N 1.20 1.35 0.00 3.43 0.00 -0.83 -2.51 119.26 121.91 2k6i h ALA 37 Ca -0.02 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 2k6i h ALA 37 Cb 1.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2k6i h ALA 37 CO 0.10 0.32 -0.87 0.82 0.00 0.00 0.00 179.25 179.63 2k6i h ILE 38 N 0.00 0.34 -0.02 0.00 5.03 -1.40 -3.31 117.51 118.16 2k6i h ILE 38 Ca -0.00 -1.58 0.01 0.00 -0.12 0.00 0.00 64.86 63.17 2k6i h ILE 38 Cb 0.53 1.95 -0.00 0.00 -3.03 0.00 0.00 36.82 36.26 2k6i h ILE 38 CO 0.03 0.20 0.11 -0.33 -0.68 0.00 0.00 178.15 177.48 2k6i h GLU 39 N 0.00 0.00 0.02 2.37 5.08 -1.19 -0.61 114.58 120.24 2k6i h GLU 39 Ca -0.05 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.05 2k6i h GLU 39 Cb 1.27 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.54 2k6i h GLU 39 CO 0.03 0.00 -1.05 1.49 -1.00 0.00 0.00 179.01 178.48 2k6i h GLU 40 N 0.00 0.61 0.19 2.33 4.81 -1.67 -3.21 114.58 117.65 2k6i h GLU 40 Ca 0.01 -0.68 0.01 0.00 -0.13 0.00 0.00 59.36 58.57 2k6i h GLU 40 Cb 0.24 0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 2k6i h GLU 40 CO -0.00 1.28 -0.44 0.00 -0.73 0.00 0.00 179.01 179.12 2k6i h ALA 41 N 0.48 -0.83 -0.17 2.92 0.00 -1.31 -0.20 119.26 120.15 2k6i h ALA 41 Ca -0.13 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.73 2k6i h ALA 41 Cb 1.71 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 20.20 2k6i h ALA 41 CO 0.20 -1.03 0.21 1.57 0.00 0.00 0.00 179.25 180.20 2k6i h LYS 42 N -0.72 0.00 0.00 0.00 2.10 -1.67 0.19 116.57 116.46 2k6i h LYS 42 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.59 2k6i h LYS 42 Cb 0.72 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 2k6i h LYS 42 CO -0.21 0.00 -0.31 -0.22 -2.00 0.00 0.00 179.45 176.71 2k6i h LYS 43 N 0.00 0.00 0.01 0.07 1.63 -1.04 -2.87 116.57 114.36 2k6i h LYS 43 Ca 0.08 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.69 2k6i h LYS 43 Cb 0.50 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 2k6i h LYS 43 CO -0.00 0.31 -0.87 -0.07 -3.45 0.00 0.00 179.45 175.37 2k6i h LEU 44 N 0.00 0.18 -4.92 5.20 4.07 -0.22 -3.30 115.31 116.32 2k6i h LEU 44 Ca -0.00 -0.15 -0.69 0.00 0.08 0.00 0.00 57.88 57.12 2k6i h LEU 44 Cb 0.76 -0.06 -0.34 0.00 1.08 0.00 0.00 40.66 42.10 2k6i h LEU 44 CO 0.04 0.96 0.24 -0.38 -1.08 0.00 0.00 178.44 178.23 2k6i n ILE 45 N -3.62 3.27 -2.91 1.22 -0.00 -1.09 -4.94 119.36 111.29 2k6i n ILE 45 Ca -0.03 -4.77 -0.44 0.00 -0.00 0.00 0.00 62.75 57.52 2k6i n ILE 45 Cb 0.81 -1.29 -0.01 0.00 -0.00 0.00 0.00 39.64 39.15 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 -3.85 3.63 0.00 -1.39 0.00 -1.19 -4.98 121.76 113.98 2k6i s ALA 46 Ca 0.49 -3.02 0.00 0.00 0.00 0.00 0.00 51.96 49.43 2k6i s ALA 46 Cb 0.39 -4.11 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2k6i s ALA 46 CO -0.29 -2.92 0.20 0.00 0.00 0.00 0.00 175.76 172.75