#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxi n ALA 47 N 0.00 4.75 -1.68 3.04 0.00 -1.26 -5.04 120.51 120.32 2jxi n ALA 47 Ca 0.00 -3.93 -0.39 0.00 0.00 0.00 0.00 53.44 49.11 2jxi n ALA 47 Cb 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 2jxi n ALA 47 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jxi s THR 48 N -4.89 3.10 0.39 0.00 -4.23 -1.26 -4.96 115.64 103.79 2jxi s THR 48 Ca 0.46 0.08 -0.02 0.00 -1.18 0.00 0.00 61.69 61.02 2jxi s THR 48 Cb 0.40 -3.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 2jxi s THR 48 CO -0.08 -0.15 0.64 -0.89 -0.54 0.00 0.00 174.62 173.59 2jxi s THR 49 N 10.03 5.02 -0.33 3.99 2.01 -1.26 -5.03 115.64 130.08 2jxi s THR 49 Ca 0.93 -0.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.49 2jxi s THR 49 Cb -0.22 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.44 2jxi s THR 49 CO 0.29 -0.64 1.31 -0.89 -0.69 0.00 0.00 174.62 174.01 2jxi s THR 50 N -2.45 4.10 0.22 -0.82 2.01 -1.26 -5.01 115.64 112.44 2jxi s THR 50 Ca 0.43 1.22 0.10 0.00 0.31 0.00 0.00 61.69 63.75 2jxi s THR 50 Cb -0.10 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2jxi s THR 50 CO 0.38 -0.54 -0.09 -0.76 -0.69 0.00 0.00 174.62 172.92 2jxi s LEU 51 N 4.56 2.95 -1.44 4.42 1.43 -1.26 -5.04 118.68 124.30 2jxi s LEU 51 Ca 0.57 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 2jxi s LEU 51 Cb -0.16 -1.57 0.05 0.00 0.03 0.00 0.00 46.19 44.55 2jxi s LEU 51 CO 0.25 0.06 2.31 0.61 0.23 0.00 0.00 176.35 179.81 2jxi n GLY 52 N -0.34 4.54 3.75 -3.19 0.00 -1.26 -4.95 105.19 103.74 2jxi n GLY 52 Ca -0.09 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 2jxi n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jxi s VAL 53 N 1.95 4.41 -0.21 1.61 1.01 -1.26 -5.04 120.40 122.87 2jxi s VAL 53 Ca 0.50 1.86 -0.16 0.00 0.00 0.00 0.00 61.98 64.18 2jxi s VAL 53 Cb 0.14 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2jxi s VAL 53 CO -0.06 0.44 0.40 -0.54 0.00 0.00 0.00 175.10 175.33 2jxi s LYS 54 N -0.67 4.15 0.08 2.72 3.01 -1.26 -5.07 119.74 122.70 2jxi s LYS 54 Ca 0.40 0.18 0.06 0.00 -1.01 0.00 0.00 55.97 55.60 2jxi s LYS 54 Cb -0.23 -3.55 -0.03 0.00 -1.01 0.00 0.00 37.83 33.00 2jxi s LYS 54 CO 0.28 -0.07 -0.15 -0.51 0.51 0.00 0.00 175.35 175.41 2jxi s LEU 55 N 1.41 2.29 0.51 3.17 1.43 -1.26 -5.15 118.68 121.08 2jxi s LEU 55 Ca 0.19 -0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 52.58 2jxi s LEU 55 Cb -0.15 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 2jxi s LEU 55 CO 0.08 -0.07 0.83 -0.62 0.23 0.00 0.00 176.35 176.80 2jxi s ASP 56 N -1.82 6.24 0.05 2.29 -1.08 -1.26 -4.97 116.67 116.12 2jxi s ASP 56 Ca -0.00 1.00 -0.29 0.00 -0.52 0.00 0.00 52.55 52.74 2jxi s ASP 56 Cb -0.10 -2.27 -0.18 0.00 -1.46 0.00 0.00 42.92 38.92 2jxi s ASP 56 CO 0.03 -0.64 1.45 -0.78 0.52 0.00 0.00 175.17 175.75 2jxi h ASP 57 N 0.13 -0.63 0.28 -0.34 3.58 -2.01 -1.72 116.42 115.71 2jxi h ASP 57 Ca -0.46 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 56.91 2jxi h ASP 57 Cb 1.20 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.41 2jxi h ASP 57 CO 0.62 -0.36 -0.22 1.55 -2.88 0.00 0.00 179.24 177.95 2jxi h PRO 58 N -0.88 0.00 -0.04 0.28 0.13 -2.01 -1.60 132.00 127.88 2jxi h PRO 58 Ca -0.08 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.95 2jxi h PRO 58 Cb 0.62 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 2jxi h PRO 58 CO 0.13 0.22 -0.46 1.15 -0.23 0.00 0.00 178.00 178.80 2jxi h THR 59 N 0.00 1.33 0.34 1.56 2.02 -1.94 -2.43 112.91 113.79 2jxi h THR 59 Ca -0.00 -1.62 -0.02 0.00 0.77 0.00 0.00 66.41 65.54 2jxi h THR 59 Cb 0.42 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 2jxi h THR 59 CO 0.03 0.47 -0.16 0.03 0.37 0.00 0.00 175.52 176.26 2jxi h ARG 60 N 0.09 -0.44 -0.90 6.66 2.47 -0.33 -1.72 114.38 120.21 2jxi h ARG 60 Ca 0.00 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2jxi h ARG 60 Cb 0.85 0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 29.23 2jxi h ARG 60 CO 0.07 -0.25 0.56 0.93 0.56 0.00 0.00 179.97 181.83 2jxi h GLU 61 N -0.52 1.21 -0.94 0.04 5.08 -1.47 -1.89 114.58 116.09 2jxi h GLU 61 Ca -0.05 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2jxi h GLU 61 Cb 0.39 -0.26 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 2jxi h GLU 61 CO 0.08 0.83 0.59 -0.09 -1.00 0.00 0.00 179.01 179.41 2jxi h ARG 62 N 1.23 1.26 -0.54 2.33 1.12 -1.26 0.59 114.38 119.11 2jxi h ARG 62 Ca 0.32 -0.10 -0.11 0.00 -1.11 0.00 0.00 59.98 58.99 2jxi h ARG 62 Cb -0.08 -0.27 -0.02 0.00 -0.01 0.00 0.00 29.97 29.59 2jxi h ARG 62 CO -0.06 0.86 -0.08 1.25 -3.11 0.00 0.00 179.97 178.83 2jxi h LEU 63 N 1.29 1.01 -0.63 3.80 5.85 -0.65 -1.35 115.31 124.62 2jxi h LEU 63 Ca 0.34 -0.34 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 2jxi h LEU 63 Cb -0.09 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.65 2jxi h LEU 63 CO -0.07 1.11 -0.06 0.50 -0.34 0.00 0.00 178.44 179.58 2jxi h LYS 64 N 0.89 1.01 -0.67 1.25 3.64 -0.74 -2.20 116.57 119.74 2jxi h LYS 64 Ca 0.14 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 59.11 2jxi h LYS 64 Cb 0.65 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 2jxi h LYS 64 CO 0.04 1.02 0.15 0.00 -2.27 0.00 0.00 179.45 178.40 2jxi h ALA 65 N 1.01 0.99 -0.50 5.00 0.00 -0.74 -2.49 119.26 122.53 2jxi h ALA 65 Ca 0.15 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2jxi h ALA 65 Cb 0.62 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2jxi h ALA 65 CO 0.04 0.65 0.16 0.00 0.00 0.00 0.00 179.25 180.10 2jxi h ALA 66 N 1.13 1.34 -1.00 0.00 0.00 -0.99 -2.38 119.26 117.37 2jxi h ALA 66 Ca 0.21 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2jxi h ALA 66 Cb 0.38 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2jxi h ALA 66 CO 0.00 0.48 0.66 0.00 0.00 0.00 0.00 179.25 180.40 2jxi h ALA 67 N 1.46 1.28 -0.62 0.00 0.00 -0.94 -1.54 119.26 118.90 2jxi h ALA 67 Ca 0.17 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2jxi h ALA 67 Cb 0.21 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2jxi h ALA 67 CO -0.01 0.64 0.01 1.96 0.00 0.00 0.00 179.25 181.86 2jxi h GLN 68 N 1.35 1.08 -0.82 0.00 1.08 -1.27 0.92 115.11 117.45 2jxi h GLN 68 Ca 0.37 -0.34 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2jxi h GLN 68 Cb -0.13 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.16 2jxi h GLN 68 CO -0.09 1.04 0.39 0.77 -0.95 0.00 0.00 178.83 179.99 2jxi h SER 69 N 0.99 1.08 -0.07 1.46 0.02 -1.02 -2.47 113.55 113.54 2jxi h SER 69 Ca 0.18 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2jxi h SER 69 Cb 0.55 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2jxi h SER 69 CO 0.03 0.91 0.00 0.00 -1.14 0.00 0.00 176.83 176.63 2jxi n ILE 70 N -4.30 0.07 -3.38 3.27 3.06 -0.65 -4.95 119.36 112.48 2jxi n ILE 70 Ca 0.08 -0.27 -0.16 0.00 -2.50 0.00 0.00 62.75 59.89 2jxi n ILE 70 Cb 0.15 0.42 0.08 0.00 0.54 0.00 0.00 39.64 40.83 2jxi n ILE 70 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 2jxi n ASP 71 N 0.18 -3.38 -4.02 9.51 2.03 -0.58 -5.03 116.55 115.25 2jxi n ASP 71 Ca 0.18 -0.65 -0.09 0.00 0.52 0.00 0.00 54.79 54.76 2jxi n ASP 71 Cb 0.34 -5.15 -0.11 0.00 -0.72 0.00 0.00 41.12 35.48 2jxi n ASP 71 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2jxi s ARG 72 N -5.08 0.43 0.31 -0.67 1.81 0.22 -5.03 118.95 110.93 2jxi s ARG 72 Ca 0.13 -0.83 -0.29 0.00 -1.72 0.00 0.00 55.73 53.03 2jxi s ARG 72 Cb -0.02 0.11 -0.10 0.00 -0.45 0.00 0.00 34.95 34.49 2jxi s ARG 72 CO 0.73 -0.06 1.22 -0.08 -0.68 0.00 0.00 175.30 176.43 2jxi s THR 73 N -2.28 3.05 0.27 0.02 -1.32 -1.26 -4.17 115.64 109.96 2jxi s THR 73 Ca -0.08 1.05 -0.00 0.00 -1.21 0.00 0.00 61.69 61.45 2jxi s THR 73 Cb -0.04 -3.67 0.27 0.00 -1.51 0.00 0.00 72.50 67.55 2jxi s THR 73 CO -0.04 0.25 1.68 -0.65 -2.21 0.00 0.00 174.62 173.65 2jxi h PRO 74 N 3.63 0.31 -0.95 7.08 0.11 -1.91 0.11 132.00 140.39 2jxi h PRO 74 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jxi h PRO 74 Cb 1.22 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 2jxi h PRO 74 CO 0.66 0.20 0.59 1.25 -0.21 0.00 0.00 178.00 180.50 2jxi h HIS 75 N 0.32 1.23 -0.22 0.65 2.76 -1.99 -1.65 115.15 116.24 2jxi h HIS 75 Ca 0.50 0.01 -0.20 0.00 -2.20 0.00 0.00 60.37 58.47 2jxi h HIS 75 Cb 0.92 -0.41 0.01 0.00 1.55 0.00 0.00 27.41 29.48 2jxi h HIS 75 CO -0.21 0.81 -0.65 2.35 -1.30 0.00 0.00 177.93 178.93 2jxi h TRP 76 N 1.30 1.08 -0.26 5.26 2.91 -1.47 -3.19 115.95 121.58 2jxi h TRP 76 Ca 0.34 -0.43 -0.00 0.00 1.13 0.00 0.00 58.89 59.93 2jxi h TRP 76 Cb -0.08 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 28.37 2jxi h TRP 76 CO 0.00 1.26 0.14 1.25 -1.03 0.00 0.00 178.44 180.07 2jxi h LEU 77 N 0.59 0.30 -0.45 0.65 7.12 -0.38 -1.53 115.31 121.61 2jxi h LEU 77 Ca -0.02 -0.01 0.02 0.00 0.13 0.00 0.00 57.88 58.00 2jxi h LEU 77 Cb 1.27 -0.08 -0.03 0.00 -0.53 0.00 0.00 40.66 41.29 2jxi h LEU 77 CO 0.14 0.24 0.27 0.40 -0.13 0.00 0.00 178.44 179.36 2jxi h ILE 78 N 0.35 1.05 -0.41 4.05 2.04 -1.30 0.39 117.51 123.69 2jxi h ILE 78 Ca 0.09 -0.19 -0.15 0.00 1.00 0.00 0.00 64.86 65.61 2jxi h ILE 78 Cb 0.01 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2jxi h ILE 78 CO -0.02 0.10 -0.35 0.11 0.00 0.00 0.00 178.15 177.99 2jxi h LYS 79 N 0.54 0.95 -0.46 2.37 1.57 -1.53 -3.17 116.57 116.84 2jxi h LYS 79 Ca 0.18 -0.48 -0.11 0.00 -1.87 0.00 0.00 60.65 58.37 2jxi h LYS 79 Cb 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2jxi h LYS 79 CO -0.08 1.14 -0.15 1.96 -0.57 0.00 0.00 179.45 181.76 2jxi h GLN 80 N 0.79 0.86 -0.11 3.15 1.08 -0.79 -2.25 115.11 117.83 2jxi h GLN 80 Ca 0.07 -0.32 0.02 0.00 -1.45 0.00 0.00 58.65 56.97 2jxi h GLN 80 Cb 0.94 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.30 2jxi h GLN 80 CO 0.09 0.95 -0.00 0.00 -0.95 0.00 0.00 178.83 178.92 2jxi h ALA 81 N 1.06 0.09 -0.34 3.87 0.00 -0.21 0.49 119.26 124.23 2jxi h ALA 81 Ca 0.12 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 2jxi h ALA 81 Cb 0.67 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2jxi h ALA 81 CO 0.05 -0.46 -0.44 0.97 0.00 0.00 0.00 179.25 179.37 2jxi h ILE 82 N 0.04 1.28 -0.46 0.00 6.09 -1.56 -2.01 117.51 120.88 2jxi h ILE 82 Ca 0.05 -1.62 -0.09 0.00 -1.37 0.00 0.00 64.86 61.84 2jxi h ILE 82 Cb 0.06 1.47 -0.02 0.00 0.47 0.00 0.00 36.82 38.81 2jxi h ILE 82 CO -0.09 0.53 -0.05 0.15 -3.07 0.00 0.00 178.15 175.62 2jxi h PHE 83 N 0.71 0.94 0.00 2.19 3.57 -1.15 -2.80 116.94 120.40 2jxi h PHE 83 Ca 0.05 -0.18 -0.07 0.00 3.53 0.00 0.00 57.97 61.30 2jxi h PHE 83 Cb 1.03 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 2jxi h PHE 83 CO 0.06 0.92 -0.31 -0.97 -2.23 0.00 0.00 178.31 175.78 2jxi h ASN 84 N 0.70 0.00 -0.33 0.41 -0.73 -0.01 -2.26 115.58 113.36 2jxi h ASN 84 Ca 0.12 0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.31 2jxi h ASN 84 Cb 0.58 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.15 2jxi h ASN 84 CO 0.03 0.31 0.19 0.22 -0.37 0.00 0.00 177.43 177.82 2jxi h TYR 85 N 0.00 0.36 0.00 0.67 3.20 -1.09 0.29 116.97 120.39 2jxi h TYR 85 Ca -0.00 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 2jxi h TYR 85 Cb 0.72 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2jxi h TYR 85 CO 0.00 0.21 -0.43 -0.07 -1.64 0.00 0.00 178.16 176.23 2jxi h LEU 86 N 0.39 0.00 -0.33 2.82 3.38 -1.41 -3.03 115.31 117.12 2jxi h LEU 86 Ca 0.13 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 2jxi h LEU 86 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2jxi h LEU 86 CO -0.06 0.43 -0.43 -0.08 0.09 0.00 0.00 178.44 178.39 2jxi h GLU 87 N 0.00 0.88 -0.78 1.13 4.81 -0.70 0.43 114.58 120.34 2jxi h GLU 87 Ca -0.00 -0.50 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 2jxi h GLU 87 Cb 0.84 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.22 2jxi h GLU 87 CO 0.06 1.14 0.36 0.87 -0.73 0.00 0.00 179.01 180.70 2jxi h LYS 88 N 0.67 1.13 0.02 1.92 1.57 -0.36 -3.25 116.57 118.27 2jxi h LYS 88 Ca 0.04 -0.17 -0.33 0.00 -1.87 0.00 0.00 60.65 58.32 2jxi h LYS 88 Cb 1.03 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 33.08 2jxi h LYS 88 CO 0.10 0.88 -2.01 1.47 -0.57 0.00 0.00 179.45 179.33 2jxi n LEU 89 N -4.30 0.98 0.00 2.94 -0.00 -1.19 -5.12 117.00 110.31 2jxi n LEU 89 Ca 0.07 0.22 0.00 0.00 -0.00 0.00 0.00 56.01 56.31 2jxi n LEU 89 Cb 0.15 0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.60 2jxi n LEU 89 CO 0.40 0.52 0.00 -0.62 -0.00 0.00 0.00 177.39 177.69