#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxg n ALA 47 N 0.00 2.65 -2.58 3.04 0.00 -1.26 -4.82 120.51 117.54 2jxg n ALA 47 Ca 0.00 -1.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.01 2jxg n ALA 47 Cb 0.00 -2.78 -0.03 0.00 0.00 0.00 0.00 19.45 16.64 2jxg n ALA 47 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jxg s THR 48 N 4.38 3.79 0.10 0.00 -4.23 -1.26 -4.99 115.64 113.43 2jxg s THR 48 Ca 0.20 0.29 -0.22 0.00 -1.18 0.00 0.00 61.69 60.78 2jxg s THR 48 Cb 0.05 -4.90 -0.07 0.00 1.34 0.00 0.00 72.50 68.92 2jxg s THR 48 CO -0.00 -1.82 0.68 -0.89 -0.54 0.00 0.00 174.62 172.04 2jxg s THR 49 N 5.54 4.60 -0.40 3.99 2.01 -1.26 -5.01 115.64 125.11 2jxg s THR 49 Ca 0.34 1.47 -0.21 0.00 0.31 0.00 0.00 61.69 63.60 2jxg s THR 49 Cb -0.09 -4.02 0.01 0.00 0.01 0.00 0.00 72.50 68.41 2jxg s THR 49 CO 0.14 0.51 0.67 0.42 -0.69 0.00 0.00 174.62 175.67 2jxg s THR 50 N -0.94 4.82 0.20 -0.82 -4.23 -1.26 -5.04 115.64 108.37 2jxg s THR 50 Ca 0.33 0.41 0.08 0.00 -1.18 0.00 0.00 61.69 61.33 2jxg s THR 50 Cb -0.21 -4.16 -0.04 0.00 1.34 0.00 0.00 72.50 69.42 2jxg s THR 50 CO 0.22 -0.48 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.02 2jxg s LEU 51 N 2.85 3.13 0.09 4.79 1.43 -1.26 -5.08 118.68 124.63 2jxg s LEU 51 Ca 0.25 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 2jxg s LEU 51 Cb -0.14 -1.77 -0.06 0.00 0.03 0.00 0.00 46.19 44.25 2jxg s LEU 51 CO 0.18 0.08 1.19 -0.83 0.23 0.00 0.00 176.35 177.19 2jxg s GLY 52 N -3.04 2.49 0.63 -3.19 0.00 -1.26 -5.01 107.32 97.94 2jxg s GLY 52 Ca 0.27 0.85 0.04 0.00 0.00 0.00 0.00 44.72 45.88 2jxg s GLY 52 CO 0.17 1.97 0.87 0.54 0.00 0.00 0.00 173.10 176.65 2jxg s VAL 53 N 0.79 2.26 -0.63 1.40 0.11 -1.26 -5.06 120.40 118.02 2jxg s VAL 53 Ca 0.57 -0.77 0.05 0.00 -2.93 0.00 0.00 61.98 58.90 2jxg s VAL 53 Cb -0.30 -2.49 0.20 0.00 -1.53 0.00 0.00 36.38 32.26 2jxg s VAL 53 CO 0.31 0.00 0.55 0.29 -3.33 0.00 0.00 175.10 172.91 2jxg n LYS 54 N -2.50 1.72 -4.25 1.54 5.02 -1.26 -5.08 118.16 113.35 2jxg n LYS 54 Ca 0.14 -4.27 -0.30 0.00 -2.02 0.00 0.00 58.31 51.86 2jxg n LYS 54 Cb 0.61 -2.12 -0.10 0.00 -0.02 0.00 0.00 35.03 33.40 2jxg n LYS 54 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jxg s LEU 55 N -1.52 2.98 0.05 -0.35 1.43 -1.26 -5.12 118.68 114.89 2jxg s LEU 55 Ca 0.31 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 2jxg s LEU 55 Cb 0.04 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2jxg s LEU 55 CO -0.13 0.18 0.08 -1.81 0.23 0.00 0.00 176.35 174.90 2jxg s ASP 56 N -2.17 5.56 0.09 2.29 1.01 -1.26 -4.91 116.67 117.28 2jxg s ASP 56 Ca 0.21 0.04 -0.31 0.00 0.71 0.00 0.00 52.55 53.20 2jxg s ASP 56 Cb -0.11 -1.52 -0.13 0.00 1.01 0.00 0.00 42.92 42.17 2jxg s ASP 56 CO 0.13 0.21 1.49 0.44 0.21 0.00 0.00 175.17 177.64 2jxg h ASP 57 N 3.57 -1.42 -0.85 0.27 3.32 -2.00 2.28 116.42 121.59 2jxg h ASP 57 Ca -0.47 0.15 0.15 0.00 0.02 0.00 0.00 57.03 56.88 2jxg h ASP 57 Cb 1.17 0.53 -0.15 0.00 0.22 0.00 0.00 39.33 41.09 2jxg h ASP 57 CO 0.65 -0.49 -0.30 -0.65 -1.72 0.00 0.00 179.24 176.72 2jxg h PRO 58 N -0.66 -0.04 -0.50 3.56 0.11 -2.00 0.27 132.00 132.74 2jxg h PRO 58 Ca -0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 2jxg h PRO 58 Cb 0.67 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 2jxg h PRO 58 CO -0.26 -0.03 0.14 1.15 -0.21 0.00 0.00 178.00 178.80 2jxg h THR 59 N -0.04 1.23 -0.89 -1.15 2.02 -1.49 -2.56 112.91 110.03 2jxg h THR 59 Ca 0.35 -0.80 0.10 0.00 0.77 0.00 0.00 66.41 66.84 2jxg h THR 59 Cb 0.60 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 2jxg h THR 59 CO -0.88 0.29 0.57 -0.09 0.37 0.00 0.00 175.52 175.78 2jxg h ARG 60 N 0.68 0.83 -0.56 6.66 2.43 0.71 0.12 114.38 125.26 2jxg h ARG 60 Ca 0.16 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 2jxg h ARG 60 Cb 0.30 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2jxg h ARG 60 CO -0.00 0.55 0.03 0.93 -1.51 0.00 0.00 179.97 179.96 2jxg h GLU 61 N 0.85 0.93 -0.16 0.20 4.39 -0.65 -1.79 114.58 118.36 2jxg h GLU 61 Ca 0.41 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.80 2jxg h GLU 61 Cb 0.45 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2jxg h GLU 61 CO -0.18 0.91 -0.14 -0.09 -1.16 0.00 0.00 179.01 178.34 2jxg h ARG 62 N 0.87 0.25 -0.54 2.33 1.12 -0.56 -1.33 114.38 116.52 2jxg h ARG 62 Ca 0.17 -0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 58.97 2jxg h ARG 62 Cb 0.47 -0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 30.37 2jxg h ARG 62 CO 0.02 0.40 0.31 -0.07 -3.11 0.00 0.00 179.97 177.52 2jxg h LEU 63 N 0.24 0.65 -1.15 3.80 4.07 -0.31 -0.42 115.31 122.19 2jxg h LEU 63 Ca 0.05 -0.04 0.16 0.00 0.08 0.00 0.00 57.88 58.13 2jxg h LEU 63 Cb 0.40 -0.16 -0.09 0.00 1.08 0.00 0.00 40.66 41.89 2jxg h LEU 63 CO 0.02 0.52 0.61 0.50 -1.08 0.00 0.00 178.44 179.01 2jxg h LYS 64 N 0.74 0.74 -0.89 1.13 3.11 -1.06 0.90 116.57 121.25 2jxg h LYS 64 Ca 0.19 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.97 2jxg h LYS 64 Cb -0.00 -0.17 -0.04 0.00 -1.00 0.00 0.00 32.23 31.02 2jxg h LYS 64 CO -0.03 0.49 0.49 0.00 -2.81 0.00 0.00 179.45 177.59 2jxg h ALA 65 N 1.60 1.19 -0.70 5.00 0.00 -1.10 0.53 119.26 125.78 2jxg h ALA 65 Ca 0.51 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 2jxg h ALA 65 Cb 0.77 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2jxg h ALA 65 CO -0.27 0.66 0.24 0.00 0.00 0.00 0.00 179.25 179.88 2jxg h ALA 66 N 1.29 0.92 -0.29 0.00 0.00 0.79 -1.45 119.26 120.52 2jxg h ALA 66 Ca 0.32 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2jxg h ALA 66 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2jxg h ALA 66 CO -0.05 0.58 -0.10 0.00 0.00 0.00 0.00 179.25 179.67 2jxg h ALA 67 N 1.11 1.29 -0.03 0.00 0.00 0.89 -1.85 119.26 120.66 2jxg h ALA 67 Ca 0.23 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2jxg h ALA 67 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2jxg h ALA 67 CO -0.01 0.47 -0.17 1.96 0.00 0.00 0.00 179.25 181.50 2jxg h GLN 68 N 0.45 0.05 -0.85 0.00 1.08 0.10 2.37 115.11 118.31 2jxg h GLN 68 Ca 0.09 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.32 2jxg h GLN 68 Cb 0.45 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.82 2jxg h GLN 68 CO 0.02 0.23 0.56 1.03 -0.95 0.00 0.00 178.83 179.72 2jxg h SER 69 N 0.05 0.90 -0.00 1.46 0.87 -0.50 -2.72 113.55 113.60 2jxg h SER 69 Ca 0.01 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jxg h SER 69 Cb 0.34 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2jxg h SER 69 CO 0.02 0.61 -0.47 0.00 -0.53 0.00 0.00 176.83 176.47 2jxg n ILE 70 N -4.45 0.00 -2.63 2.23 3.06 -0.84 -5.01 119.36 111.72 2jxg n ILE 70 Ca 0.11 -0.27 -0.08 0.00 -2.50 0.00 0.00 62.75 60.02 2jxg n ILE 70 Cb 0.12 1.02 0.04 0.00 0.54 0.00 0.00 39.64 41.36 2jxg n ILE 70 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 2jxg n ASP 71 N -1.12 -2.08 -4.02 9.51 -0.08 0.78 -5.05 116.55 114.49 2jxg n ASP 71 Ca 0.02 -0.28 -0.25 0.00 -1.51 0.00 0.00 54.79 52.77 2jxg n ASP 71 Cb 0.17 -2.58 -0.05 0.00 2.34 0.00 0.00 41.12 41.00 2jxg n ASP 71 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2jxg n ARG 72 N -2.40 1.00 -2.62 -0.67 1.74 -0.29 -4.97 116.66 108.45 2jxg n ARG 72 Ca -0.13 -2.88 -0.40 0.00 -0.77 0.00 0.00 57.85 53.68 2jxg n ARG 72 Cb 0.58 0.84 -0.05 0.00 -1.02 0.00 0.00 32.46 32.80 2jxg n ARG 72 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2jxg s THR 73 N -2.46 3.80 0.08 0.55 2.01 -1.26 -4.69 115.64 113.67 2jxg s THR 73 Ca 0.02 1.81 -0.21 0.00 0.31 0.00 0.00 61.69 63.62 2jxg s THR 73 Cb 0.00 -4.15 -0.07 0.00 0.01 0.00 0.00 72.50 68.29 2jxg s THR 73 CO 0.01 0.43 1.34 -0.65 -0.69 0.00 0.00 174.62 175.06 2jxg h PRO 74 N 3.97 -0.29 -0.38 4.92 0.11 -1.96 1.44 132.00 139.82 2jxg h PRO 74 Ca -0.46 0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.75 2jxg h PRO 74 Cb 1.21 0.07 -0.09 0.00 0.11 0.00 0.00 31.00 32.30 2jxg h PRO 74 CO 0.67 -0.19 -0.23 1.25 -0.21 0.00 0.00 178.00 179.29 2jxg h HIS 75 N -0.30 -0.59 -0.61 0.65 2.76 -2.01 0.49 115.15 115.55 2jxg h HIS 75 Ca 0.03 0.05 0.08 0.00 -2.20 0.00 0.00 60.37 58.33 2jxg h HIS 75 Cb 0.40 0.32 -0.04 0.00 1.55 0.00 0.00 27.41 29.64 2jxg h HIS 75 CO -0.62 -0.31 0.40 2.35 -1.30 0.00 0.00 177.93 178.46 2jxg h TRP 76 N -0.17 0.53 -0.61 5.26 2.91 -1.83 0.56 115.95 122.59 2jxg h TRP 76 Ca 0.18 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.18 2jxg h TRP 76 Cb 0.46 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.91 2jxg h TRP 76 CO -0.45 0.27 0.22 1.25 -1.03 0.00 0.00 178.44 178.70 2jxg h LEU 77 N 0.51 0.86 -0.88 0.65 7.12 0.68 -2.51 115.31 121.75 2jxg h LEU 77 Ca 0.27 -0.19 0.18 0.00 0.13 0.00 0.00 57.88 58.28 2jxg h LEU 77 Cb 0.41 -0.22 -0.11 0.00 -0.53 0.00 0.00 40.66 40.20 2jxg h LEU 77 CO -0.08 0.82 0.43 0.40 -0.13 0.00 0.00 178.44 179.88 2jxg h ILE 78 N 0.86 0.62 -0.73 4.05 2.04 0.54 0.23 117.51 125.11 2jxg h ILE 78 Ca 0.20 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 2jxg h ILE 78 Cb 0.24 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 2jxg h ILE 78 CO -0.01 0.10 0.40 0.11 0.00 0.00 0.00 178.15 178.74 2jxg h LYS 79 N 0.53 1.01 0.13 2.37 1.57 -1.37 -0.93 116.57 119.89 2jxg h LYS 79 Ca 0.51 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 59.17 2jxg h LYS 79 Cb 0.85 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2jxg h LYS 79 CO -0.44 0.76 -0.06 1.96 -0.57 0.00 0.00 179.45 181.10 2jxg h GLN 80 N 1.00 -0.17 -1.08 3.15 4.20 -0.65 0.50 115.11 122.07 2jxg h GLN 80 Ca 0.26 0.01 0.30 0.00 0.06 0.00 0.00 58.65 59.28 2jxg h GLN 80 Cb 0.04 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 2jxg h GLN 80 CO -0.04 0.11 0.75 0.00 -0.67 0.00 0.00 178.83 178.98 2jxg h ALA 81 N 0.37 2.79 0.00 3.87 0.00 -0.37 2.23 119.26 128.15 2jxg h ALA 81 Ca -0.02 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2jxg h ALA 81 Cb 0.36 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2jxg h ALA 81 CO 0.03 -1.13 -1.27 1.51 0.00 0.00 0.00 179.25 178.39 2jxg n ILE 82 N -4.34 1.50 -0.03 0.00 0.13 -0.38 -3.37 119.36 112.88 2jxg n ILE 82 Ca 0.24 -0.01 -0.15 0.00 -1.10 0.00 0.00 62.75 61.72 2jxg n ILE 82 Cb 1.07 -2.12 -0.10 0.00 -0.84 0.00 0.00 39.64 37.65 2jxg n ILE 82 CO 0.00 0.00 0.00 0.15 2.80 0.00 0.00 176.55 179.50 2jxg h PHE 83 N -1.00 0.41 -0.40 9.51 3.57 0.43 -2.84 116.94 126.62 2jxg h PHE 83 Ca -0.30 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.01 2jxg h PHE 83 Cb 1.15 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 2jxg h PHE 83 CO -0.04 0.95 0.26 -0.97 -2.23 0.00 0.00 178.31 176.28 2jxg h ASN 84 N -0.25 0.46 -0.51 0.41 -1.24 0.36 0.31 115.58 115.12 2jxg h ASN 84 Ca -0.03 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 56.98 2jxg h ASN 84 Cb 1.01 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.92 2jxg h ASN 84 CO 0.07 0.33 0.34 0.22 -1.29 0.00 0.00 177.43 177.09 2jxg h TYR 85 N 0.54 0.62 -0.21 0.67 3.20 -1.33 0.55 116.97 121.01 2jxg h TYR 85 Ca 0.15 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 2jxg h TYR 85 Cb -0.06 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.00 2jxg h TYR 85 CO -0.00 0.38 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.59 2jxg h LEU 86 N 0.66 0.57 -1.66 2.82 3.38 -0.20 -2.69 115.31 118.19 2jxg h LEU 86 Ca 0.19 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 2jxg h LEU 86 Cb -0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2jxg h LEU 86 CO -0.04 0.95 -0.17 -0.08 0.09 0.00 0.00 178.44 179.19 2jxg h GLU 87 N 0.20 0.00 0.26 1.13 4.81 0.02 0.37 114.58 121.37 2jxg h GLU 87 Ca 0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2jxg h GLU 87 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2jxg h GLU 87 CO 0.06 0.17 -0.13 0.87 -0.73 0.00 0.00 179.01 179.25 2jxg h LYS 88 N 0.00 -0.34 0.00 1.92 1.57 0.23 -3.15 116.57 116.81 2jxg h LYS 88 Ca -0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2jxg h LYS 88 Cb 0.30 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2jxg h LYS 88 CO 0.02 -0.23 0.00 1.47 -0.57 0.00 0.00 179.45 180.14 2jxg n LEU 89 N -3.41 0.00 0.00 2.94 -0.00 -1.03 -5.10 117.00 110.39 2jxg n LEU 89 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 2jxg n LEU 89 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 2jxg n LEU 89 CO 0.11 0.00 0.25 1.21 -0.00 0.00 0.00 177.39 178.95