#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w6h s ALA 2 N 0.00 4.22 0.16 3.52 0.00 -1.26 -5.03 121.76 123.37 2w6h s ALA 2 Ca 0.00 -1.65 -0.12 0.00 0.00 0.00 0.00 51.96 50.19 2w6h s ALA 2 Cb 0.00 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.73 2w6h s ALA 2 CO 0.00 -0.14 1.62 0.10 0.00 0.00 0.00 175.76 177.34 2w6h h TYR 3 N 0.91 1.00 -0.85 0.00 -0.00 -2.02 -2.98 116.97 113.02 2w6h h TYR 3 Ca -0.43 -0.16 -0.02 0.00 0.00 0.00 0.00 58.73 58.12 2w6h h TYR 3 Cb 1.27 -0.26 -0.04 0.00 0.00 0.00 0.00 36.73 37.69 2w6h h TYR 3 CO 0.46 0.91 0.47 0.11 -0.00 0.00 0.00 178.16 180.10 2w6h h TRP 4 N 0.80 1.17 -3.97 0.10 5.08 -1.96 -3.30 115.95 113.88 2w6h h TRP 4 Ca 0.15 -0.03 -0.46 0.00 1.08 0.00 0.00 58.89 59.63 2w6h h TRP 4 Cb 0.49 -0.37 0.15 0.00 -3.00 0.00 0.00 29.16 26.43 2w6h h TRP 4 CO 0.04 0.82 0.22 1.03 -1.28 0.00 0.00 178.44 179.26 2w6h s ARG 5 N -5.84 0.70 0.00 0.12 1.81 -1.13 -1.51 118.95 113.11 2w6h s ARG 5 Ca -0.13 0.53 0.00 0.00 -1.72 0.00 0.00 55.73 54.42 2w6h s ARG 5 Cb 0.16 -1.77 0.00 0.00 -0.45 0.00 0.00 34.95 32.89 2w6h s ARG 5 CO 0.82 -2.55 0.00 0.94 -0.68 0.00 0.00 175.30 173.83 2w6h n GLN 6 N -4.05 0.00 0.00 3.54 -0.06 -1.26 -4.45 117.38 111.09 2w6h n GLN 6 Ca 0.06 0.00 0.13 0.00 -2.00 0.00 0.00 57.00 55.19 2w6h n GLN 6 Cb 0.57 -1.14 0.35 0.00 -4.06 0.00 0.00 30.24 25.97 2w6h n GLN 6 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2w6h n ALA 7 N 0.08 2.73 0.00 1.69 0.00 -1.07 -4.93 120.51 119.01 2w6h n ALA 7 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2w6h n ALA 7 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2w6h n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w6h n GLY 8 N 1.27 2.76 3.80 0.00 0.00 -1.20 -5.07 105.19 106.75 2w6h n GLY 8 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2w6h n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2w6h s LEU 9 N 0.00 3.75 0.55 0.99 1.02 -0.57 -4.99 118.68 119.44 2w6h s LEU 9 Ca 0.00 1.87 0.05 0.00 0.02 0.00 0.00 54.13 56.08 2w6h s LEU 9 Cb 0.00 -4.55 0.04 0.00 0.02 0.00 0.00 46.19 41.70 2w6h s LEU 9 CO 0.00 -0.85 0.40 -0.94 0.02 0.00 0.00 176.35 174.98 2w6h s SER 10 N -2.24 4.60 0.08 2.29 1.04 -1.26 -3.89 113.70 114.33 2w6h s SER 10 Ca 0.66 -1.29 -0.12 0.00 0.48 0.00 0.00 55.95 55.68 2w6h s SER 10 Cb -0.16 0.48 -0.21 0.00 0.10 0.00 0.00 66.02 66.24 2w6h s SER 10 CO 0.24 -1.13 1.20 0.22 0.98 0.00 0.00 173.24 174.76 2w6h h TYR 11 N 0.74 0.95 -0.97 5.02 3.20 -1.98 -2.71 116.97 121.22 2w6h h TYR 11 Ca -0.37 -0.53 0.09 0.00 3.14 0.00 0.00 58.73 61.06 2w6h h TYR 11 Cb 1.31 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 39.40 2w6h h TYR 11 CO 1.03 1.36 0.62 0.82 -1.64 0.00 0.00 178.16 180.36 2w6h h ILE 12 N 0.34 1.01 -0.28 1.81 1.08 -1.98 0.24 117.51 119.73 2w6h h ILE 12 Ca -0.13 -0.36 -0.09 0.00 -0.39 0.00 0.00 64.86 63.90 2w6h h ILE 12 Cb 1.71 -0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 2w6h h ILE 12 CO 0.20 0.19 -0.20 -0.09 -0.69 0.00 0.00 178.15 177.56 2w6h h ARG 13 N 1.05 0.51 -0.02 2.37 9.65 -1.97 0.16 114.38 126.12 2w6h h ARG 13 Ca 0.45 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 59.14 2w6h h ARG 13 Cb 0.32 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.86 2w6h h ARG 13 CO -0.20 0.68 -0.01 -0.92 2.80 0.00 0.00 179.97 182.32 2w6h h TYR 14 N 0.46 0.05 -0.90 2.20 5.03 -0.81 -2.47 116.97 120.52 2w6h h TYR 14 Ca 0.07 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.44 2w6h h TYR 14 Cb 0.61 -0.01 -0.06 0.00 1.55 0.00 0.00 36.73 38.82 2w6h h TYR 14 CO 0.02 0.48 0.58 1.03 -1.32 0.00 0.00 178.16 178.96 2w6h h SER 15 N -0.40 0.87 0.31 -2.11 0.87 -0.32 0.95 113.55 113.71 2w6h h SER 15 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2w6h h SER 15 Cb 0.47 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 2w6h h SER 15 CO 0.00 0.55 -0.42 -0.61 -0.53 0.00 0.00 176.83 175.82 2w6h h GLN 16 N 0.98 -0.75 -0.17 2.24 4.15 -0.60 0.26 115.11 121.22 2w6h h GLN 16 Ca 0.39 0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.88 2w6h h GLN 16 Cb 0.26 0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 2w6h h GLN 16 CO -0.15 -0.50 0.05 0.82 -1.93 0.00 0.00 178.83 177.12 2w6h h ILE 17 N -0.77 0.96 -0.37 2.39 1.08 -0.91 -1.25 117.51 118.63 2w6h h ILE 17 Ca -0.02 -0.05 0.01 0.00 -0.39 0.00 0.00 64.86 64.42 2w6h h ILE 17 Cb 0.72 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 35.26 2w6h h ILE 17 CO -0.13 0.02 0.22 0.00 -0.69 0.00 0.00 178.15 177.58 2w6h h ALA 19 N 1.16 1.08 -0.55 0.00 0.00 -0.30 -2.63 119.26 118.01 2w6h h ALA 19 Ca 0.14 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2w6h h ALA 19 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2w6h h ALA 19 CO -0.06 0.64 0.02 -0.22 0.00 0.00 0.00 179.25 179.62 2w6h h LYS 20 N 1.06 0.96 0.01 0.00 3.64 -0.91 -2.79 116.57 118.54 2w6h h LYS 20 Ca 0.24 -0.30 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2w6h h LYS 20 Cb 0.26 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 2w6h h LYS 20 CO -0.01 0.96 -0.23 0.00 -2.27 0.00 0.00 179.45 177.90 2w6h h ALA 21 N 0.97 -0.31 -0.87 5.00 0.00 -0.97 -0.76 119.26 122.32 2w6h h ALA 21 Ca 0.16 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.26 2w6h h ALA 21 Cb 0.51 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 2w6h h ALA 21 CO 0.02 -0.73 0.58 0.28 0.00 0.00 0.00 179.25 179.40 2w6h h VAL 22 N -0.37 0.70 0.63 0.00 2.07 -1.40 -2.06 116.25 115.82 2w6h h VAL 22 Ca 0.06 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2w6h h VAL 22 Cb 0.44 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2w6h h VAL 22 CO -0.20 0.07 -0.30 0.03 0.02 0.00 0.00 177.57 177.19 2w6h h ARG 23 N 0.41 -0.81 0.00 1.57 3.08 -0.90 -2.86 114.38 114.86 2w6h h ARG 23 Ca 0.45 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.56 2w6h h ARG 23 Cb 1.11 0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2w6h h ARG 23 CO -0.16 -0.50 0.19 -0.44 -1.07 0.00 0.00 179.97 177.99 2w6h h ASP 24 N -1.11 0.00 -0.54 7.04 3.32 -0.65 0.72 116.42 125.21 2w6h h ASP 24 Ca -0.09 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 2w6h h ASP 24 Cb 0.69 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 2w6h h ASP 24 CO 0.14 0.00 0.04 0.00 -1.72 0.00 0.00 179.24 177.70 2w6h n ALA 25 N -1.79 3.86 -2.14 3.45 0.00 -0.83 -4.93 120.51 118.13 2w6h n ALA 25 Ca -0.02 -1.79 0.00 0.00 0.00 0.00 0.00 53.44 51.63 2w6h n ALA 25 Cb 0.23 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2w6h n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2w6h n LEU 26 N 0.47 0.00 -3.85 0.00 4.77 0.24 -5.04 117.00 113.59 2w6h n LEU 26 Ca 0.27 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 56.09 2w6h n LEU 26 Cb 1.14 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 42.08 2w6h n LEU 26 CO 0.31 -0.33 -0.38 -1.59 -1.33 0.00 0.00 177.39 174.07 2w6h s LYS 27 N -0.87 0.25 -0.63 3.23 -2.85 -1.26 -4.99 119.74 112.61 2w6h s LYS 27 Ca 0.00 0.01 -0.31 0.00 -1.00 0.00 0.00 55.97 54.68 2w6h s LYS 27 Cb 0.00 -0.36 -0.14 0.00 -2.06 0.00 0.00 37.83 35.27 2w6h s LYS 27 CO 0.00 -0.06 2.45 2.41 0.10 0.00 0.00 175.35 180.25 2w6h n THR 28 N 3.70 0.02 0.00 3.79 -1.04 -1.26 -1.21 114.28 118.27 2w6h n THR 28 Ca -0.22 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.44 2w6h n THR 28 Cb 0.54 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 2w6h n THR 28 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2w6h n GLU 29 N 8.58 0.00 0.00 -2.82 2.13 -1.26 -4.82 120.64 122.45 2w6h n GLU 29 Ca 0.49 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.31 2w6h n GLU 29 Cb 0.27 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.98 2w6h n GLU 29 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2w6h n PHE 30 N 0.00 0.00 0.36 4.31 3.72 -0.35 -4.81 117.46 120.69 2w6h n PHE 30 Ca 0.00 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.54 2w6h n PHE 30 Cb 0.00 0.00 0.48 0.00 -0.94 0.00 0.00 39.48 39.02 2w6h n PHE 30 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2w6h h LYS 31 N 0.00 0.00 0.37 -1.08 1.63 -1.85 -3.27 116.57 112.37 2w6h h LYS 31 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2w6h h LYS 31 Cb 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 2w6h h LYS 31 CO 0.00 0.00 -0.18 0.00 -3.45 0.00 0.00 179.45 175.82 2w6h h ALA 32 N 2.17 -0.49 -0.46 5.00 0.00 -1.89 -2.88 119.26 120.70 2w6h h ALA 32 Ca 0.00 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.88 2w6h h ALA 32 Cb 0.60 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2w6h h ALA 32 CO 0.00 -0.68 0.47 -0.91 0.00 0.00 0.00 179.25 178.13 2w6h h ASN 33 N -0.69 0.00 -1.01 0.00 2.35 -1.94 -1.52 115.58 112.77 2w6h h ASN 33 Ca -0.05 0.00 0.23 0.00 -0.55 0.00 0.00 56.30 55.93 2w6h h ASN 33 Cb 0.48 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.73 2w6h h ASN 33 CO 0.08 0.00 0.60 0.00 -1.65 0.00 0.00 177.43 176.46 2w6h h ALA 34 N 1.49 1.78 -0.12 -0.83 0.00 -1.65 -0.61 119.26 119.31 2w6h h ALA 34 Ca 0.22 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 2w6h h ALA 34 Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2w6h h ALA 34 CO -0.00 -0.23 -0.34 0.52 0.00 0.00 0.00 179.25 179.20 2w6h h MET 35 N 0.62 0.44 -0.89 0.00 2.86 -1.44 -3.11 114.93 113.41 2w6h h MET 35 Ca 0.63 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 2w6h h MET 35 Cb 1.17 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.88 2w6h h MET 35 CO -0.45 0.94 0.00 1.63 1.06 0.00 0.00 176.91 180.08 2w6h n LYS 36 N -4.37 0.28 -1.85 1.72 5.02 -0.24 -4.58 118.16 114.14 2w6h n LYS 36 Ca -0.07 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.21 2w6h n LYS 36 Cb 0.50 -1.23 0.01 0.00 -0.02 0.00 0.00 35.03 34.29 2w6h n LYS 36 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2w6h n THR 37 N 0.57 0.00 -4.09 -0.18 -1.04 -1.17 -5.01 114.28 103.36 2w6h n THR 37 Ca 0.00 -0.17 -0.28 0.00 -2.04 0.00 0.00 64.05 61.56 2w6h n THR 37 Cb 0.10 0.20 -0.05 0.00 -1.82 0.00 0.00 70.33 68.76 2w6h n THR 37 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2w6h n SER 38 N -0.89 0.06 -2.55 8.00 3.41 -1.26 -4.93 113.62 115.46 2w6h n SER 38 Ca -0.01 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 2w6h n SER 38 Cb 0.14 -2.50 0.00 0.00 -0.26 0.00 0.00 64.21 61.59 2w6h n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2w6h n GLY 39 N -2.21 -1.58 0.25 5.00 0.00 -1.26 -5.00 105.19 100.38 2w6h n GLY 39 Ca -0.31 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.15 2w6h n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2w6h n SER 40 N -2.01 0.00 0.04 1.61 3.41 -1.26 -5.01 113.62 110.39 2w6h n SER 40 Ca 0.00 -0.66 -0.11 0.00 -0.26 0.00 0.00 58.87 57.84 2w6h n SER 40 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2w6h n SER 40 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2w6h h THR 41 N 2.98 0.47 -0.67 6.66 2.02 -2.03 -3.44 112.91 118.90 2w6h h THR 41 Ca 0.00 0.00 -0.42 0.00 0.77 0.00 0.00 66.41 66.76 2w6h h THR 41 Cb 0.66 0.47 0.07 0.00 -1.74 0.00 0.00 68.15 67.61 2w6h h THR 41 CO 0.00 0.00 -0.36 -0.38 0.37 0.00 0.00 175.52 175.15 2w6h n ILE 42 N -5.35 1.20 -4.31 3.11 2.08 -1.26 -4.98 119.36 109.84 2w6h n ILE 42 Ca -0.04 -0.32 -0.19 0.00 0.56 0.00 0.00 62.75 62.76 2w6h n ILE 42 Cb 0.27 0.00 -0.15 0.00 -0.75 0.00 0.00 39.64 39.01 2w6h n ILE 42 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2w6h s LYS 43 N -0.63 0.77 0.29 0.38 2.47 -1.26 -5.14 119.74 116.61 2w6h s LYS 43 Ca 0.40 -0.26 -0.28 0.00 -1.56 0.00 0.00 55.97 54.27 2w6h s LYS 43 Cb -0.57 -0.74 -0.09 0.00 -1.46 0.00 0.00 37.83 34.96 2w6h s LYS 43 CO 0.36 0.12 0.99 0.42 0.16 0.00 0.00 175.35 177.40 2w6h s ILE 44 N 0.09 3.91 -0.48 5.43 -1.09 -1.26 -5.02 121.20 122.78 2w6h s ILE 44 Ca -0.01 1.78 0.04 0.00 -2.23 0.00 0.00 60.65 60.22 2w6h s ILE 44 Cb -0.06 -4.07 0.16 0.00 -1.58 0.00 0.00 42.46 36.91 2w6h s ILE 44 CO 0.00 0.31 0.35 -0.69 -1.23 0.00 0.00 174.94 173.69 2w6h s VAL 45 N -1.35 1.12 -0.30 2.92 1.01 -1.26 -5.10 120.40 117.45 2w6h s VAL 45 Ca 0.46 -2.98 -0.11 0.00 0.00 0.00 0.00 61.98 59.35 2w6h s VAL 45 Cb -0.25 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2w6h s VAL 45 CO 0.32 -1.11 0.20 -1.59 0.00 0.00 0.00 175.10 172.92 2w6h s LYS 46 N -0.20 3.79 0.00 2.72 -2.85 -1.26 -5.38 119.74 116.56 2w6h s LYS 46 Ca 0.28 -0.43 0.00 0.00 -1.00 0.00 0.00 55.97 54.81 2w6h s LYS 46 Cb -0.04 -3.69 0.00 0.00 -2.06 0.00 0.00 37.83 32.03 2w6h s LYS 46 CO -0.15 -0.26 0.00 0.28 0.10 0.00 0.00 175.35 175.32