#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxh n ALA 47 N 0.00 5.37 -1.76 3.04 0.00 -1.26 -5.05 120.51 120.85 2jxh n ALA 47 Ca 0.00 -4.00 -0.37 0.00 0.00 0.00 0.00 53.44 49.07 2jxh n ALA 47 Cb 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 19.45 18.68 2jxh n ALA 47 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jxh s THR 48 N -5.04 2.81 0.28 0.00 -4.23 -1.26 -5.04 115.64 103.15 2jxh s THR 48 Ca 0.52 0.60 0.10 0.00 -1.18 0.00 0.00 61.69 61.73 2jxh s THR 48 Cb 0.42 -3.30 -0.05 0.00 1.34 0.00 0.00 72.50 70.91 2jxh s THR 48 CO -0.11 -0.01 -0.07 -0.89 -0.54 0.00 0.00 174.62 172.99 2jxh s THR 49 N -1.48 2.98 -0.74 3.99 2.01 -1.26 -5.07 115.64 116.06 2jxh s THR 49 Ca 0.66 -2.11 -0.27 0.00 0.31 0.00 0.00 61.69 60.29 2jxh s THR 49 Cb -0.32 -2.64 0.03 0.00 0.01 0.00 0.00 72.50 69.59 2jxh s THR 49 CO 0.38 -0.36 1.28 0.42 -0.69 0.00 0.00 174.62 175.65 2jxh s THR 50 N -2.42 3.73 0.26 -0.82 -4.23 -1.26 -4.98 115.64 105.92 2jxh s THR 50 Ca 0.31 0.37 0.04 0.00 -1.18 0.00 0.00 61.69 61.24 2jxh s THR 50 Cb -0.05 -4.92 -0.05 0.00 1.34 0.00 0.00 72.50 68.82 2jxh s THR 50 CO 0.18 -1.85 0.00 -1.48 -0.54 0.00 0.00 174.62 170.93 2jxh s LEU 51 N 5.70 2.21 -0.10 4.79 0.05 -1.26 -5.10 118.68 124.97 2jxh s LEU 51 Ca 0.35 -1.25 -0.29 0.00 0.05 0.00 0.00 54.13 52.99 2jxh s LEU 51 Cb -0.08 -0.34 -0.05 0.00 -2.05 0.00 0.00 46.19 43.67 2jxh s LEU 51 CO 0.14 -0.51 1.72 -0.83 -0.55 0.00 0.00 176.35 176.32 2jxh s GLY 52 N -3.36 1.37 0.13 -3.48 0.00 -1.26 -4.99 107.32 95.72 2jxh s GLY 52 Ca 0.30 0.84 0.04 0.00 0.00 0.00 0.00 44.72 45.90 2jxh s GLY 52 CO 0.11 3.13 -0.10 0.14 0.00 0.00 0.00 173.10 176.38 2jxh s VAL 53 N 4.71 1.06 -0.66 1.40 1.01 -1.26 -5.10 120.40 121.56 2jxh s VAL 53 Ca 0.76 -1.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.63 2jxh s VAL 53 Cb -0.32 -1.67 0.09 0.00 0.00 0.00 0.00 36.38 34.48 2jxh s VAL 53 CO 0.31 -0.69 0.88 -0.54 0.00 0.00 0.00 175.10 175.06 2jxh s LYS 54 N -3.41 3.14 0.01 2.72 -0.14 -1.26 -5.01 119.74 115.78 2jxh s LYS 54 Ca 0.12 -1.12 0.04 0.00 -1.36 0.00 0.00 55.97 53.65 2jxh s LYS 54 Cb 0.01 -4.31 -0.01 0.00 -1.68 0.00 0.00 37.83 31.84 2jxh s LYS 54 CO -0.00 -1.71 -0.12 -0.51 -0.76 0.00 0.00 175.35 172.26 2jxh s LEU 55 N 3.37 2.08 0.08 3.17 1.43 -1.26 -5.14 118.68 122.42 2jxh s LEU 55 Ca 0.19 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 52.78 2jxh s LEU 55 Cb -0.18 -0.54 -0.07 0.00 0.03 0.00 0.00 46.19 45.43 2jxh s LEU 55 CO 0.07 0.08 0.62 -1.81 0.23 0.00 0.00 176.35 175.54 2jxh s ASP 56 N -0.62 7.13 0.10 2.29 1.01 -1.26 -4.99 116.67 120.33 2jxh s ASP 56 Ca 0.02 1.34 -0.29 0.00 0.71 0.00 0.00 52.55 54.34 2jxh s ASP 56 Cb -0.06 -2.39 -0.12 0.00 1.01 0.00 0.00 42.92 41.36 2jxh s ASP 56 CO 0.00 0.23 1.64 0.44 0.21 0.00 0.00 175.17 177.70 2jxh h ASP 57 N 4.65 -0.71 -0.43 0.27 5.19 -2.00 0.32 116.42 123.71 2jxh h ASP 57 Ca -0.48 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 55.97 2jxh h ASP 57 Cb 1.21 0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.94 2jxh h ASP 57 CO 0.65 -0.38 0.22 1.55 -3.12 0.00 0.00 179.24 178.16 2jxh h PRO 58 N -0.56 0.65 0.00 3.56 0.13 -2.01 -0.78 132.00 133.00 2jxh h PRO 58 Ca -0.01 -0.08 -0.09 0.00 -0.87 0.00 0.00 66.00 64.96 2jxh h PRO 58 Cb 0.52 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 2jxh h PRO 58 CO -0.06 0.51 -0.43 1.15 -0.23 0.00 0.00 178.00 178.94 2jxh h THR 59 N 0.66 1.19 -0.75 1.56 2.02 -1.87 -2.37 112.91 113.34 2jxh h THR 59 Ca 0.17 -1.54 -0.05 0.00 0.77 0.00 0.00 66.41 65.76 2jxh h THR 59 Cb 0.08 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 2jxh h THR 59 CO -0.02 0.42 0.28 -0.09 0.37 0.00 0.00 175.52 176.48 2jxh h ARG 60 N 0.00 1.14 -0.96 6.66 2.43 0.11 0.06 114.38 123.81 2jxh h ARG 60 Ca -0.00 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 2jxh h ARG 60 Cb 0.82 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 2jxh h ARG 60 CO 0.06 0.93 0.61 0.93 -1.51 0.00 0.00 179.97 180.99 2jxh h GLU 61 N 1.10 1.29 -0.75 0.20 4.39 -1.08 -0.48 114.58 119.25 2jxh h GLU 61 Ca 0.25 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2jxh h GLU 61 Cb 0.24 -0.28 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 2jxh h GLU 61 CO -0.02 0.88 0.44 -0.09 -1.16 0.00 0.00 179.01 179.06 2jxh h ARG 62 N 1.32 1.02 -0.99 2.33 9.65 -0.85 -1.41 114.38 125.44 2jxh h ARG 62 Ca 0.35 -0.09 0.01 0.00 -1.10 0.00 0.00 59.98 59.15 2jxh h ARG 62 Cb -0.11 -0.21 -0.05 0.00 -1.39 0.00 0.00 29.97 28.21 2jxh h ARG 62 CO -0.07 0.72 0.65 -0.07 2.80 0.00 0.00 179.97 184.00 2jxh h LEU 63 N 1.03 1.14 -0.97 3.80 4.07 0.57 1.00 115.31 125.94 2jxh h LEU 63 Ca 0.27 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.20 2jxh h LEU 63 Cb -0.03 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 41.38 2jxh h LEU 63 CO -0.05 0.83 0.60 0.50 -1.08 0.00 0.00 178.44 179.24 2jxh h LYS 64 N 1.34 1.30 -0.61 1.13 3.64 -0.43 0.60 116.57 123.55 2jxh h LYS 64 Ca 0.36 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.58 2jxh h LYS 64 Cb -0.15 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 31.36 2jxh h LYS 64 CO -0.08 0.89 0.15 0.00 -2.27 0.00 0.00 179.45 178.15 2jxh h ALA 65 N 1.34 1.13 -0.26 5.00 0.00 -0.72 -1.35 119.26 124.39 2jxh h ALA 65 Ca 0.35 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2jxh h ALA 65 Cb -0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2jxh h ALA 65 CO -0.07 0.59 -0.33 0.00 0.00 0.00 0.00 179.25 179.44 2jxh h ALA 66 N 1.26 0.94 0.33 0.00 0.00 0.55 -1.73 119.26 120.60 2jxh h ALA 66 Ca 0.20 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2jxh h ALA 66 Cb 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jxh h ALA 66 CO -0.00 0.62 -0.17 0.00 0.00 0.00 0.00 179.25 179.70 2jxh h ALA 67 N 1.16 -0.45 -0.22 0.00 0.00 0.92 -0.25 119.26 120.43 2jxh h ALA 67 Ca 0.05 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2jxh h ALA 67 Cb 0.81 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2jxh h ALA 67 CO 0.07 -0.76 -0.12 -0.56 0.00 0.00 0.00 179.25 177.88 2jxh h GLN 68 N -0.46 0.35 -0.55 0.00 -0.00 -1.29 0.30 115.11 113.47 2jxh h GLN 68 Ca -0.04 -0.09 -0.07 0.00 -0.00 0.00 0.00 58.65 58.45 2jxh h GLN 68 Cb 0.36 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.48 27.77 2jxh h GLN 68 CO 0.06 0.48 0.06 1.03 -0.00 0.00 0.00 178.83 180.46 2jxh h SER 69 N 0.33 0.85 0.14 0.06 0.87 -0.80 -2.75 113.55 112.25 2jxh h SER 69 Ca 0.07 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2jxh h SER 69 Cb 0.41 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2jxh h SER 69 CO 0.02 0.87 -0.53 0.00 -0.53 0.00 0.00 176.83 176.66 2jxh n ILE 70 N -4.23 0.00 -1.49 2.23 0.13 -0.15 -4.96 119.36 110.89 2jxh n ILE 70 Ca 0.03 -0.13 0.00 0.00 -1.10 0.00 0.00 62.75 61.56 2jxh n ILE 70 Cb 0.28 0.81 0.00 0.00 -0.84 0.00 0.00 39.64 39.89 2jxh n ILE 70 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 2jxh n ASP 71 N -0.73 -1.59 -4.53 9.51 5.75 0.26 -5.07 116.55 120.15 2jxh n ASP 71 Ca 0.08 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.61 2jxh n ASP 71 Cb 0.39 -0.46 -0.10 0.00 -1.03 0.00 0.00 41.12 39.92 2jxh n ASP 71 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2jxh s ARG 72 N -3.04 1.91 0.45 0.11 0.52 0.80 -4.97 118.95 114.72 2jxh s ARG 72 Ca 0.00 -1.47 -0.21 0.00 -0.52 0.00 0.00 55.73 53.53 2jxh s ARG 72 Cb 0.00 -2.00 -0.10 0.00 0.52 0.00 0.00 34.95 33.37 2jxh s ARG 72 CO 0.00 0.39 0.98 -0.08 0.02 0.00 0.00 175.30 176.61 2jxh s THR 73 N -2.02 4.20 0.21 0.02 -1.32 -1.26 -3.86 115.64 111.61 2jxh s THR 73 Ca 0.27 1.37 -0.18 0.00 -1.21 0.00 0.00 61.69 61.93 2jxh s THR 73 Cb -0.07 -3.55 0.19 0.00 -1.51 0.00 0.00 72.50 67.55 2jxh s THR 73 CO 0.15 -0.30 1.46 -2.65 -2.21 0.00 0.00 174.62 171.07 2jxh n PRO 74 N -0.76 -0.25 -0.12 7.08 -0.02 -1.26 0.97 135.00 140.64 2jxh n PRO 74 Ca 0.08 1.45 -0.08 0.00 -2.02 0.00 0.00 63.50 62.92 2jxh n PRO 74 Cb 0.54 -2.15 -0.00 0.00 -0.02 0.00 0.00 33.50 31.87 2jxh n PRO 74 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jxh h HIS 75 N 0.00 0.48 -0.68 6.00 3.86 -1.99 0.18 115.15 123.00 2jxh h HIS 75 Ca 0.30 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.44 2jxh h HIS 75 Cb 0.54 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.82 2jxh h HIS 75 CO -0.85 0.31 0.11 2.35 0.86 0.00 0.00 177.93 180.71 2jxh h TRP 76 N 0.51 1.19 -0.89 2.45 2.91 -1.42 -2.55 115.95 118.16 2jxh h TRP 76 Ca 0.14 -0.16 -0.00 0.00 1.13 0.00 0.00 58.89 60.00 2jxh h TRP 76 Cb -0.05 -0.33 -0.04 0.00 -0.51 0.00 0.00 29.16 28.22 2jxh h TRP 76 CO -0.05 0.99 0.55 1.25 -1.03 0.00 0.00 178.44 180.16 2jxh h LEU 77 N 1.05 1.06 -0.49 0.65 7.12 0.12 -0.44 115.31 124.38 2jxh h LEU 77 Ca 0.21 -0.06 0.03 0.00 0.13 0.00 0.00 57.88 58.19 2jxh h LEU 77 Cb 0.44 -0.27 -0.04 0.00 -0.53 0.00 0.00 40.66 40.27 2jxh h LEU 77 CO 0.01 0.80 0.28 0.40 -0.13 0.00 0.00 178.44 179.80 2jxh h ILE 78 N 1.22 1.02 -0.27 4.05 2.04 -0.24 1.94 117.51 127.27 2jxh h ILE 78 Ca 0.32 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 66.00 2jxh h ILE 78 Cb -0.08 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 2jxh h ILE 78 CO -0.06 0.10 0.18 0.11 0.00 0.00 0.00 178.15 178.47 2jxh h LYS 79 N 0.55 0.36 -0.75 2.37 1.57 -1.21 -2.78 116.57 116.68 2jxh h LYS 79 Ca 0.20 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 2jxh h LYS 79 Cb 0.05 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2jxh h LYS 79 CO -0.11 0.25 0.24 0.37 -0.57 0.00 0.00 179.45 179.62 2jxh h GLN 80 N 0.36 1.16 0.20 3.15 5.75 0.06 -2.29 115.11 123.50 2jxh h GLN 80 Ca 0.10 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 58.34 2jxh h GLN 80 Cb -0.03 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.35 2jxh h GLN 80 CO -0.02 0.98 -0.10 0.00 -2.65 0.00 0.00 178.83 177.04 2jxh h ALA 81 N 1.14 -0.27 -0.29 3.38 0.00 0.33 2.01 119.26 125.56 2jxh h ALA 81 Ca 0.24 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 2jxh h ALA 81 Cb 0.30 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2jxh h ALA 81 CO -0.01 -0.65 -0.27 0.97 0.00 0.00 0.00 179.25 179.30 2jxh h ILE 82 N -0.28 1.27 -0.02 0.00 6.09 -1.53 -1.95 117.51 121.09 2jxh h ILE 82 Ca -0.03 -1.33 -0.11 0.00 -1.37 0.00 0.00 64.86 62.02 2jxh h ILE 82 Cb 0.21 1.34 -0.01 0.00 0.47 0.00 0.00 36.82 38.83 2jxh h ILE 82 CO 0.05 0.43 -0.50 -0.26 -3.07 0.00 0.00 178.15 174.79 2jxh h PHE 83 N 0.50 0.05 -0.50 2.19 -1.00 -0.99 -2.67 116.94 114.52 2jxh h PHE 83 Ca 0.07 -0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.75 2jxh h PHE 83 Cb 0.72 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.25 2jxh h PHE 83 CO 0.03 0.54 -0.02 -0.97 -1.61 0.00 0.00 178.31 176.28 2jxh h ASN 84 N 0.03 0.83 -0.40 2.17 -0.73 0.40 1.48 115.58 119.36 2jxh h ASN 84 Ca -0.00 -0.22 0.00 0.00 1.87 0.00 0.00 56.30 57.96 2jxh h ASN 84 Cb 0.90 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 39.25 2jxh h ASN 84 CO 0.07 0.90 0.26 0.22 -0.37 0.00 0.00 177.43 178.51 2jxh h TYR 85 N 0.79 0.50 -0.19 0.67 3.20 -1.10 0.01 116.97 120.86 2jxh h TYR 85 Ca 0.15 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.90 2jxh h TYR 85 Cb 0.50 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2jxh h TYR 85 CO 0.03 0.32 -0.43 -0.07 -1.64 0.00 0.00 178.16 176.37 2jxh h LEU 86 N 0.54 0.47 -0.91 2.82 3.38 -1.03 -3.00 115.31 117.59 2jxh h LEU 86 Ca 0.15 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2jxh h LEU 86 Cb -0.06 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2jxh h LEU 86 CO -0.03 0.85 0.33 -0.08 0.09 0.00 0.00 178.44 179.60 2jxh h GLU 87 N 0.37 1.12 -0.22 1.13 4.81 0.27 1.18 114.58 123.24 2jxh h GLU 87 Ca 0.03 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 2jxh h GLU 87 Cb 0.91 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 2jxh h GLU 87 CO 0.08 0.89 0.03 0.87 -0.73 0.00 0.00 179.01 180.15 2jxh h LYS 88 N 1.11 0.36 0.00 1.92 6.56 -0.88 -3.24 116.57 122.40 2jxh h LYS 88 Ca 0.26 -0.10 -0.25 0.00 -1.06 0.00 0.00 60.65 59.50 2jxh h LYS 88 Cb 0.16 -0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 31.74 2jxh h LYS 88 CO -0.03 0.50 -1.37 1.37 -2.06 0.00 0.00 179.45 177.87 2jxh h LEU 89 N 0.16 0.01 0.00 2.94 8.10 -1.46 -3.52 115.31 121.54 2jxh h LEU 89 Ca 0.07 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.04 2jxh h LEU 89 Cb 0.32 -0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 2jxh h LEU 89 CO 0.00 1.01 0.00 -1.84 -4.11 0.00 0.00 178.44 173.51