#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx8 s PRO 2 N 0.00 1.04 0.57 3.23 0.04 -1.26 -4.66 135.00 133.96 2jx8 s PRO 2 Ca 0.00 0.31 0.31 0.00 0.04 0.00 0.00 61.00 61.66 2jx8 s PRO 2 Cb 0.00 -1.83 1.45 0.00 0.04 0.00 0.00 34.50 34.16 2jx8 s PRO 2 CO 0.00 -2.27 1.83 1.49 0.04 0.00 0.00 177.00 178.09 2jx8 h GLU 3 N -1.55 0.00 0.29 4.56 4.81 -2.04 -1.16 114.58 119.48 2jx8 h GLU 3 Ca -0.51 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2jx8 h GLU 3 Cb 1.33 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 2jx8 h GLU 3 CO 0.61 0.00 -0.21 0.93 -0.73 0.00 0.00 179.01 179.61 2jx8 h GLU 4 N 0.00 -0.48 -0.15 1.92 4.39 -2.00 -1.16 114.58 117.08 2jx8 h GLU 4 Ca 0.35 0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.91 2jx8 h GLU 4 Cb 1.64 0.11 0.01 0.00 -0.10 0.00 0.00 28.75 30.41 2jx8 h GLU 4 CO -0.00 -0.32 -0.58 -0.07 -1.16 0.00 0.00 179.01 176.87 2jx8 h LEU 5 N -0.50 0.78 -1.42 1.33 3.38 -1.58 -3.11 115.31 114.19 2jx8 h LEU 5 Ca -0.02 -0.61 0.17 0.00 0.09 0.00 0.00 57.88 57.51 2jx8 h LEU 5 Cb 0.44 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 2jx8 h LEU 5 CO -0.00 1.26 0.57 0.58 0.09 0.00 0.00 178.44 180.94 2jx8 h VAL 6 N 0.34 0.76 -0.64 1.22 2.07 -1.27 0.31 116.25 119.05 2jx8 h VAL 6 Ca -0.03 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 2jx8 h VAL 6 Cb 1.21 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2jx8 h VAL 6 CO 0.12 0.10 0.07 0.45 0.02 0.00 0.00 177.57 178.33 2jx8 h HIS 7 N 0.53 1.15 -0.13 1.57 3.86 -1.14 -2.67 115.15 118.32 2jx8 h HIS 7 Ca 0.45 -0.17 -0.06 0.00 -1.16 0.00 0.00 60.37 59.43 2jx8 h HIS 7 Cb 0.93 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 2jx8 h HIS 7 CO -0.00 0.98 -0.17 0.00 0.86 0.00 0.00 177.93 179.60 2jx8 h ALA 8 N 1.02 1.47 0.00 2.45 0.00 -0.95 -3.46 119.26 119.79 2jx8 h ALA 8 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jx8 h ALA 8 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jx8 h ALA 8 CO 0.02 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.05 2jx8 n GLY 9 N -0.80 1.96 3.87 0.00 0.00 -0.90 -4.58 105.19 104.74 2jx8 n GLY 9 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2jx8 n GLY 9 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jx8 s TRP 10 N -2.00 3.49 -0.07 1.61 0.52 -1.16 -0.37 118.94 120.97 2jx8 s TRP 10 Ca 0.00 0.91 -0.03 0.00 0.02 0.00 0.00 56.10 57.01 2jx8 s TRP 10 Cb 0.00 -2.28 0.04 0.00 -1.15 0.00 0.00 33.47 30.08 2jx8 s TRP 10 CO 0.00 0.34 0.13 -1.21 0.02 0.00 0.00 176.95 176.23 2jx8 s GLU 11 N -2.49 0.04 -0.17 4.98 2.02 -1.04 -4.64 118.70 117.40 2jx8 s GLU 11 Ca 0.43 0.42 -0.29 0.00 0.02 0.00 0.00 54.97 55.55 2jx8 s GLU 11 Cb -0.13 -0.24 -0.01 0.00 0.10 0.00 0.00 34.13 33.85 2jx8 s GLU 11 CO 0.20 -0.23 1.27 0.21 0.02 0.00 0.00 175.26 176.73 2jx8 s LYS 12 N 1.63 4.21 0.30 1.61 2.20 -1.26 -2.73 119.74 125.70 2jx8 s LYS 12 Ca -0.04 1.64 0.05 0.00 -0.36 0.00 0.00 55.97 57.26 2jx8 s LYS 12 Cb -0.12 -3.77 -0.03 0.00 -1.51 0.00 0.00 37.83 32.40 2jx8 s LYS 12 CO -0.05 -0.73 0.24 0.00 -0.36 0.00 0.00 175.35 174.44 2jx8 s TRP 14 N -3.63 3.23 -0.30 0.00 -0.11 -1.26 -1.99 118.94 114.88 2jx8 s TRP 14 Ca 0.40 -1.71 -0.29 0.00 1.22 0.00 0.00 56.10 55.72 2jx8 s TRP 14 Cb 0.04 -2.14 -0.00 0.00 -1.50 0.00 0.00 33.47 29.86 2jx8 s TRP 14 CO 0.24 -0.77 1.42 0.45 -4.62 0.00 0.00 176.95 173.66 2jx8 s SER 15 N 1.30 6.51 0.34 5.86 0.15 0.75 -4.88 113.70 123.73 2jx8 s SER 15 Ca -0.04 1.25 0.05 0.00 0.70 0.00 0.00 55.95 57.91 2jx8 s SER 15 Cb -0.19 -2.54 0.61 0.00 -1.71 0.00 0.00 66.02 62.19 2jx8 s SER 15 CO -0.01 -1.21 1.87 0.03 1.20 0.00 0.00 173.24 175.12 2jx8 h ARG 16 N 10.04 0.48 -0.14 5.44 2.47 -1.97 0.95 114.38 131.66 2jx8 h ARG 16 Ca -0.29 -0.11 -0.02 0.00 -1.26 0.00 0.00 59.98 58.31 2jx8 h ARG 16 Cb 1.12 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.36 2jx8 h ARG 16 CO 1.03 0.54 0.02 0.00 0.56 0.00 0.00 179.97 182.13 2jx8 h ARG 17 N 0.45 0.22 0.00 0.04 3.08 -1.94 -2.75 114.38 113.49 2jx8 h ARG 17 Ca 0.10 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2jx8 h ARG 17 Cb 0.36 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2jx8 h ARG 17 CO 0.02 0.41 -0.04 0.39 -1.07 0.00 0.00 179.97 179.67 2jx8 n GLU 18 N -4.82 0.03 -3.49 0.04 -0.58 -1.13 -4.92 120.64 105.77 2jx8 n GLU 18 Ca -0.05 0.02 -0.20 0.00 -0.42 0.00 0.00 57.16 56.51 2jx8 n GLU 18 Cb 0.17 -1.53 0.09 0.00 -0.57 0.00 0.00 31.44 29.60 2jx8 n GLU 18 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2jx8 n ASN 19 N -1.58 -3.80 -3.66 1.62 2.85 0.30 -4.97 115.26 106.03 2jx8 n ASN 19 Ca 0.07 -0.58 -0.00 0.00 -0.11 0.00 0.00 54.58 53.95 2jx8 n ASN 19 Cb 0.35 -5.06 -0.00 0.00 1.24 0.00 0.00 39.78 36.30 2jx8 n ASN 19 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jx8 s ARG 20 N -5.74 0.69 0.57 1.20 1.70 -1.04 -5.01 118.95 111.32 2jx8 s ARG 20 Ca 0.24 -0.39 -0.05 0.00 -0.47 0.00 0.00 55.73 55.06 2jx8 s ARG 20 Cb -0.10 0.23 0.01 0.00 -0.57 0.00 0.00 34.95 34.51 2jx8 s ARG 20 CO 0.72 -0.32 0.87 -1.25 -1.08 0.00 0.00 175.30 174.25 2jx8 s PRO 21 N -2.64 2.92 0.00 3.89 0.04 -1.26 -0.18 135.00 137.77 2jx8 s PRO 21 Ca 0.15 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.10 2jx8 s PRO 21 Cb 0.02 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2jx8 s PRO 21 CO -0.01 -0.66 0.00 2.48 0.04 0.00 0.00 177.00 178.85 2jx8 n TYR 22 N -2.52 0.00 -3.84 0.56 4.11 -0.84 -4.82 117.16 109.80 2jx8 n TYR 22 Ca 0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.82 2jx8 n TYR 22 Cb 0.58 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.78 2jx8 n TYR 22 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 2jx8 s TYR 23 N -0.06 -0.06 -0.17 -3.48 1.51 -1.14 -3.73 117.35 110.22 2jx8 s TYR 23 Ca 0.00 0.16 -0.03 0.00 -1.01 0.00 0.00 57.07 56.19 2jx8 s TYR 23 Cb 0.00 -0.00 0.05 0.00 -0.11 0.00 0.00 41.96 41.90 2jx8 s TYR 23 CO 0.00 -0.04 0.04 0.12 -1.11 0.00 0.00 175.55 174.56 2jx8 s PHE 24 N 0.14 0.76 -0.64 2.71 5.36 -1.11 -0.16 117.98 125.05 2jx8 s PHE 24 Ca -0.01 -0.60 -0.27 0.00 -0.96 0.00 0.00 56.93 55.09 2jx8 s PHE 24 Cb -0.02 -0.90 0.02 0.00 -0.34 0.00 0.00 43.02 41.78 2jx8 s PHE 24 CO -0.00 -0.53 1.35 1.21 -1.46 0.00 0.00 175.22 175.78 2jx8 s ASN 25 N 1.95 6.14 0.18 6.13 2.47 0.14 -2.50 114.94 129.46 2jx8 s ASN 25 Ca 0.01 -0.04 0.14 0.00 0.42 0.00 0.00 52.86 53.39 2jx8 s ASN 25 Cb -0.16 -2.55 0.71 0.00 -1.45 0.00 0.00 41.25 37.80 2jx8 s ASN 25 CO -0.08 -1.76 1.42 -2.11 -3.72 0.00 0.00 177.10 170.85 2jx8 n ARG 26 N 8.94 0.09 -0.00 0.43 1.85 0.50 0.83 116.66 129.29 2jx8 n ARG 26 Ca 0.08 0.55 -0.01 0.00 -1.00 0.00 0.00 57.85 57.47 2jx8 n ARG 26 Cb 0.49 -1.76 -0.01 0.00 -1.05 0.00 0.00 32.46 30.13 2jx8 n ARG 26 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 2jx8 h PHE 27 N 0.00 -0.09 -0.58 2.89 3.57 -1.81 -3.36 116.94 117.56 2jx8 h PHE 27 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jx8 h PHE 27 Cb 0.04 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2jx8 h PHE 27 CO 0.00 -0.05 0.00 -2.37 -2.23 0.00 0.00 178.31 173.66 2jx8 n THR 28 N -4.52 2.19 -1.62 4.41 5.66 -1.12 -4.91 114.28 114.37 2jx8 n THR 28 Ca -0.01 -1.34 -0.20 0.00 -3.05 0.00 0.00 64.05 59.45 2jx8 n THR 28 Cb 0.04 -0.04 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 2jx8 n THR 28 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2jx8 n ASN 29 N 0.78 -5.25 -4.70 1.09 5.15 0.24 -4.93 115.26 107.64 2jx8 n ASN 29 Ca 0.26 0.47 -0.32 0.00 -0.60 0.00 0.00 54.58 54.38 2jx8 n ASN 29 Cb 0.99 -4.65 0.13 0.00 -0.53 0.00 0.00 39.78 35.73 2jx8 n ASN 29 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2jx8 s GLN 30 N -3.75 1.53 -0.39 1.20 0.74 -0.93 -4.71 119.66 113.35 2jx8 s GLN 30 Ca 0.00 1.55 0.04 0.00 0.05 0.00 0.00 55.36 57.00 2jx8 s GLN 30 Cb 0.00 -1.78 0.16 0.00 1.10 0.00 0.00 33.01 32.49 2jx8 s GLN 30 CO 0.00 -2.25 0.41 -1.54 -0.55 0.00 0.00 175.29 171.36 2jx8 s SER 31 N -2.60 0.84 0.10 6.67 1.04 -1.26 -0.68 113.70 117.81 2jx8 s SER 31 Ca 0.68 -1.70 0.00 0.00 0.48 0.00 0.00 55.95 55.41 2jx8 s SER 31 Cb -0.24 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2jx8 s SER 31 CO 0.54 -0.23 0.00 0.18 0.98 0.00 0.00 173.24 174.71 2jx8 n LEU 32 N 4.01 0.00 0.00 2.42 4.77 0.78 -4.91 117.00 124.08 2jx8 n LEU 32 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2jx8 n LEU 32 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2jx8 n LEU 32 CO 0.08 -0.12 0.14 0.79 -1.33 0.00 0.00 177.39 176.95 2jx8 n TRP 33 N -0.34 0.00 -3.70 -1.77 7.02 -1.26 -2.90 117.44 114.50 2jx8 n TRP 33 Ca 0.00 -0.03 -0.14 0.00 -1.02 0.00 0.00 57.50 56.31 2jx8 n TRP 33 Cb 0.00 -0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 28.80 2jx8 n TRP 33 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2jx8 s GLU 34 N -0.05 0.68 -0.11 -0.99 0.41 -1.26 -4.73 118.70 112.65 2jx8 s GLU 34 Ca 0.00 0.29 -0.42 0.00 -0.41 0.00 0.00 54.97 54.44 2jx8 s GLU 34 Cb 0.00 0.32 -0.20 0.00 -1.78 0.00 0.00 34.13 32.47 2jx8 s GLU 34 CO 0.00 -0.15 1.19 -1.33 -0.49 0.00 0.00 175.26 174.48 2jx8 n MET 35 N 1.96 0.01 -1.56 1.61 2.81 -1.26 -4.84 117.12 115.85 2jx8 n MET 35 Ca -0.17 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.49 2jx8 n MET 35 Cb 0.57 -1.50 0.16 0.00 -0.71 0.00 0.00 33.22 31.74 2jx8 n MET 35 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2jx8 n PRO 36 N 2.08 -1.02 -4.60 0.03 -0.04 -1.26 -5.11 135.00 125.08 2jx8 n PRO 36 Ca 0.22 -1.68 -0.27 0.00 -0.04 0.00 0.00 63.50 61.73 2jx8 n PRO 36 Cb 0.05 -1.09 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 2jx8 n PRO 36 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jx8 s VAL 37 N -3.32 1.49 0.08 0.52 1.01 -1.26 -5.04 120.40 113.89 2jx8 s VAL 37 Ca 0.61 -2.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.33 2jx8 s VAL 37 Cb -0.02 -2.70 0.08 0.00 0.00 0.00 0.00 36.38 33.75 2jx8 s VAL 37 CO 0.43 0.00 0.74 -0.22 0.00 0.00 0.00 175.10 176.04 2jx8 s LEU 38 N -3.69 -0.47 0.00 3.92 0.20 -1.26 -5.00 118.68 112.38 2jx8 s LEU 38 Ca 0.28 -0.01 0.00 0.00 0.69 0.00 0.00 54.13 55.09 2jx8 s LEU 38 Cb 0.07 2.33 0.00 0.00 -0.43 0.00 0.00 46.19 48.16 2jx8 s LEU 38 CO 0.14 -0.81 0.00 0.61 -0.29 0.00 0.00 176.35 176.00 2jx8 n GLY 39 N -0.32 -1.41 0.25 7.98 0.00 -1.26 -4.92 105.19 105.51 2jx8 n GLY 39 Ca -0.13 0.49 0.12 0.00 0.00 0.00 0.00 46.02 46.50 2jx8 n GLY 39 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2jx8 h GLN 40 N 0.00 0.00 -5.75 1.61 7.50 -2.06 -3.37 115.11 113.04 2jx8 h GLN 40 Ca 0.00 0.00 -0.56 0.00 0.50 0.00 0.00 58.65 58.59 2jx8 h GLN 40 Cb 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 27.46 2jx8 h GLN 40 CO 0.00 0.15 1.78 -1.58 -1.50 0.00 0.00 178.83 177.69 2jx8 s HIS 41 N -3.83 2.49 0.00 2.96 2.46 -1.26 -4.93 115.29 113.17 2jx8 s HIS 41 Ca -0.01 -0.88 0.00 0.00 0.47 0.00 0.00 55.06 54.64 2jx8 s HIS 41 Cb 0.11 -4.50 0.00 0.00 -0.13 0.00 0.00 32.58 28.06 2jx8 s HIS 41 CO 0.60 -1.62 0.00 -0.40 -2.47 0.00 0.00 174.74 170.84 2jx8 n ASP 42 N 10.42 0.00 -4.07 9.88 5.68 -1.26 -5.07 116.55 132.13 2jx8 n ASP 42 Ca 0.47 -0.34 -0.32 0.00 -0.50 0.00 0.00 54.79 54.10 2jx8 n ASP 42 Cb 0.46 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.29 2jx8 n ASP 42 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2jx8 s VAL 43 N 0.41 2.02 -0.22 2.12 1.01 -1.26 -5.08 120.40 119.40 2jx8 s VAL 43 Ca 0.00 -1.31 -0.29 0.00 0.00 0.00 0.00 61.98 60.38 2jx8 s VAL 43 Cb 0.00 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 2jx8 s VAL 43 CO 0.00 0.16 1.33 0.27 0.00 0.00 0.00 175.10 176.86 2jx8 s ILE 44 N 1.22 4.14 -0.27 2.22 -5.25 -1.26 -4.94 121.20 117.05 2jx8 s ILE 44 Ca -0.04 1.33 -0.28 0.00 -0.99 0.00 0.00 60.65 60.67 2jx8 s ILE 44 Cb -0.17 -4.01 -0.03 0.00 2.95 0.00 0.00 42.46 41.19 2jx8 s ILE 44 CO -0.08 -0.29 1.94 -0.44 -1.79 0.00 0.00 174.94 174.28 2jx8 s SER 45 N 2.60 5.78 -0.32 4.36 0.01 -1.26 -4.78 113.70 120.09 2jx8 s SER 45 Ca 0.58 1.57 -0.05 0.00 1.31 0.00 0.00 55.95 59.36 2jx8 s SER 45 Cb -0.20 -2.52 0.25 0.00 0.21 0.00 0.00 66.02 63.76 2jx8 s SER 45 CO 0.20 -1.75 1.22 -0.67 0.41 0.00 0.00 173.24 172.65 2jx8 n ASP 46 N 10.61 -1.18 0.00 2.44 2.03 -1.26 -5.36 116.55 123.83 2jx8 n ASP 46 Ca 0.25 -1.27 0.10 0.00 0.52 0.00 0.00 54.79 54.40 2jx8 n ASP 46 Cb 0.46 0.61 0.62 0.00 -0.72 0.00 0.00 41.12 42.09 2jx8 n ASP 46 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47