#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 1.09 0.43 3.23 0.04 -1.26 -4.73 135.00 133.80 2jx8 s PRO 2 Ca 0.00 0.51 0.20 0.00 0.04 0.00 0.00 61.00 61.75 2jx8 s PRO 2 Cb 0.00 -1.82 1.16 0.00 0.04 0.00 0.00 34.50 33.88 2jx8 s PRO 2 CO 0.00 -2.28 1.81 1.49 0.04 0.00 0.00 177.00 178.06 2jx8 h GLU 3 N -1.56 0.33 -0.88 4.56 4.81 -2.04 0.55 114.58 120.34 2jx8 h GLU 3 Ca -0.51 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 58.78 2jx8 h GLU 3 Cb 1.31 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.55 2jx8 h GLU 3 CO 0.59 0.22 0.54 0.93 -0.73 0.00 0.00 179.01 180.56 2jx8 h GLU 4 N 0.34 0.91 -0.02 1.92 5.08 -2.01 -1.58 114.58 119.22 2jx8 h GLU 4 Ca 0.54 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.59 2jx8 h GLU 4 Cb 1.46 -0.20 0.02 0.00 0.50 0.00 0.00 28.75 30.53 2jx8 h GLU 4 CO -0.21 0.60 -0.99 -0.07 -1.00 0.00 0.00 179.01 177.34 2jx8 h LEU 5 N 0.93 0.83 -1.27 1.33 3.38 -1.23 -3.20 115.31 116.08 2jx8 h LEU 5 Ca 0.41 -0.65 0.08 0.00 0.09 0.00 0.00 57.88 57.81 2jx8 h LEU 5 Cb 0.29 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 2jx8 h LEU 5 CO -0.21 1.45 0.54 0.58 0.09 0.00 0.00 178.44 180.89 2jx8 h VAL 6 N 0.38 1.00 -0.75 1.22 2.07 -0.89 -1.27 116.25 118.01 2jx8 h VAL 6 Ca -0.11 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2jx8 h VAL 6 Cb 1.64 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2jx8 h VAL 6 CO 0.19 0.15 0.46 0.45 0.02 0.00 0.00 177.57 178.85 2jx8 h HIS 7 N 0.84 0.97 0.00 1.57 3.86 -1.31 -1.57 115.15 119.52 2jx8 h HIS 7 Ca 0.37 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.54 2jx8 h HIS 7 Cb 0.33 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 2jx8 h HIS 7 CO -0.00 0.64 -0.23 0.00 0.86 0.00 0.00 177.93 179.20 2jx8 h ALA 8 N 1.25 1.48 0.00 2.45 0.00 -1.30 -3.46 119.26 119.68 2jx8 h ALA 8 Ca 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jx8 h ALA 8 Cb -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2jx8 h ALA 8 CO -0.05 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.89 2jx8 n GLY 9 N -0.73 1.49 3.91 0.00 0.00 -0.59 -4.34 105.19 104.92 2jx8 n GLY 9 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.28 1.61 0.52 -1.12 -0.74 118.94 120.42 2jx8 s TRP 10 Ca 0.00 0.66 -0.17 0.00 0.02 0.00 0.00 56.10 56.61 2jx8 s TRP 10 Cb 0.00 -2.14 0.08 0.00 -1.15 0.00 0.00 33.47 30.27 2jx8 s TRP 10 CO 0.00 0.07 0.70 -1.83 0.02 0.00 0.00 176.95 175.92 2jx8 s GLU 11 N -3.86 0.71 0.08 4.98 -1.05 -1.20 -4.70 118.70 113.66 2jx8 s GLU 11 Ca 0.45 1.18 -0.30 0.00 -0.15 0.00 0.00 54.97 56.15 2jx8 s GLU 11 Cb -0.10 0.17 -0.05 0.00 -0.44 0.00 0.00 34.13 33.71 2jx8 s GLU 11 CO 0.33 -0.14 0.99 0.21 0.95 0.00 0.00 175.26 177.60 2jx8 s LYS 12 N 1.47 4.64 0.30 -4.83 2.20 -1.26 -2.41 119.74 119.84 2jx8 s LYS 12 Ca -0.09 1.48 -0.04 0.00 -0.36 0.00 0.00 55.97 56.96 2jx8 s LYS 12 Cb -0.05 -3.39 0.02 0.00 -1.51 0.00 0.00 37.83 32.90 2jx8 s LYS 12 CO -0.17 0.10 0.46 0.00 -0.36 0.00 0.00 175.35 175.39 2jx8 s TRP 14 N -3.37 3.29 0.10 0.00 -0.11 -1.26 -1.60 118.94 115.99 2jx8 s TRP 14 Ca 0.21 -2.09 -0.30 0.00 1.22 0.00 0.00 56.10 55.13 2jx8 s TRP 14 Cb -0.02 -2.11 -0.06 0.00 -1.50 0.00 0.00 33.47 29.78 2jx8 s TRP 14 CO 0.15 -0.84 1.21 0.45 -4.62 0.00 0.00 176.95 173.30 2jx8 s SER 15 N 1.20 7.07 0.46 5.86 0.15 0.46 -4.89 113.70 124.02 2jx8 s SER 15 Ca -0.06 2.09 0.25 0.00 0.70 0.00 0.00 55.95 58.94 2jx8 s SER 15 Cb -0.20 -2.59 0.52 0.00 -1.71 0.00 0.00 66.02 62.04 2jx8 s SER 15 CO -0.03 -0.45 1.68 0.03 1.20 0.00 0.00 173.24 175.67 2jx8 h ARG 16 N 6.36 0.00 0.04 5.44 3.08 -1.97 -1.95 114.38 125.38 2jx8 h ARG 16 Ca -0.42 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.62 2jx8 h ARG 16 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2jx8 h ARG 16 CO 0.80 0.00 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.59 2jx8 h ARG 17 N 0.00 -0.05 0.00 0.04 2.43 -1.94 -3.26 114.38 111.59 2jx8 h ARG 17 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jx8 h ARG 17 Cb 0.92 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2jx8 h ARG 17 CO 0.00 0.62 -0.03 0.39 -1.51 0.00 0.00 179.97 179.44 2jx8 n GLU 18 N -4.75 0.01 -3.48 0.20 -0.58 -1.25 -4.92 120.64 105.87 2jx8 n GLU 18 Ca -0.08 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.47 2jx8 n GLU 18 Cb 0.34 -1.51 0.09 0.00 -0.57 0.00 0.00 31.44 29.79 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 -1.52 -3.60 -3.65 1.62 5.15 -0.75 -4.97 115.26 107.53 2jx8 n ASN 19 Ca 0.07 -0.58 -0.03 0.00 -0.60 0.00 0.00 54.58 53.44 2jx8 n ASN 19 Cb 0.34 -5.05 -0.01 0.00 -0.53 0.00 0.00 39.78 34.54 2jx8 n ASN 19 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jx8 s ARG 20 N -5.69 1.13 0.61 1.20 1.04 -1.09 -5.00 118.95 111.15 2jx8 s ARG 20 Ca 0.21 -0.65 -0.05 0.00 -1.04 0.00 0.00 55.73 54.20 2jx8 s ARG 20 Cb -0.09 0.37 0.02 0.00 -2.04 0.00 0.00 34.95 33.21 2jx8 s ARG 20 CO 0.72 -0.52 0.91 -1.25 -0.04 0.00 0.00 175.30 175.12 2jx8 s PRO 21 N -2.94 2.70 0.00 3.89 0.04 -1.26 -0.40 135.00 137.03 2jx8 s PRO 21 Ca 0.15 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.03 2jx8 s PRO 21 Cb -0.01 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2jx8 s PRO 21 CO 0.02 -0.83 0.00 2.48 0.04 0.00 0.00 177.00 178.71 2jx8 n TYR 22 N -2.64 0.00 -4.42 0.56 4.11 -0.63 -4.83 117.16 109.31 2jx8 n TYR 22 Ca 0.06 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.73 2jx8 n TYR 22 Cb 0.59 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.76 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 -1.57 1.13 -0.22 -3.48 2.02 -1.19 -2.95 117.35 111.10 2jx8 s TYR 23 Ca 0.00 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 2jx8 s TYR 23 Cb 0.00 -0.86 0.05 0.00 -0.40 0.00 0.00 41.96 40.75 2jx8 s TYR 23 CO 0.00 -0.21 -0.09 0.12 -1.57 0.00 0.00 175.55 173.80 2jx8 s PHE 24 N 0.62 2.51 -0.71 2.71 5.36 -1.01 -0.78 117.98 126.68 2jx8 s PHE 24 Ca -0.11 -1.72 -0.27 0.00 -0.96 0.00 0.00 56.93 53.87 2jx8 s PHE 24 Cb -0.14 -1.66 0.02 0.00 -0.34 0.00 0.00 43.02 40.90 2jx8 s PHE 24 CO 0.02 -0.77 1.40 1.21 -1.46 0.00 0.00 175.22 175.62 2jx8 s ASN 25 N 1.36 5.97 0.06 6.13 3.04 -0.27 -3.23 114.94 128.00 2jx8 s ASN 25 Ca -0.03 -0.28 0.08 0.00 0.04 0.00 0.00 52.86 52.66 2jx8 s ASN 25 Cb -0.17 -2.55 0.37 0.00 -1.54 0.00 0.00 41.25 37.35 2jx8 s ASN 25 CO -0.07 -1.95 1.24 -2.11 -3.04 0.00 0.00 177.10 171.17 2jx8 n ARG 26 N 9.33 0.03 -0.09 0.43 1.85 0.08 0.78 116.66 129.07 2jx8 n ARG 26 Ca 0.07 0.45 -0.16 0.00 -1.00 0.00 0.00 57.85 57.21 2jx8 n ARG 26 Cb 0.50 -1.58 -0.08 0.00 -1.05 0.00 0.00 32.46 30.24 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 0.00 -0.65 2.89 3.57 -1.76 -3.38 116.94 117.61 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 0.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.82 2jx8 h PHE 27 CO 0.00 0.98 0.00 0.25 -2.23 0.00 0.00 178.31 177.31 2jx8 n THR 28 N -4.51 1.62 -1.23 4.41 -2.24 -1.11 -4.91 114.28 106.31 2jx8 n THR 28 Ca -0.22 -1.16 -0.10 0.00 -2.27 0.00 0.00 64.05 60.29 2jx8 n THR 28 Cb 0.52 0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.93 2jx8 n THR 28 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2jx8 n ASN 29 N 1.20 -4.70 -4.72 3.42 2.85 0.23 -4.91 115.26 108.62 2jx8 n ASN 29 Ca 0.25 0.25 -0.32 0.00 -0.11 0.00 0.00 54.58 54.65 2jx8 n ASN 29 Cb 0.81 -3.64 0.12 0.00 1.24 0.00 0.00 39.78 38.31 2jx8 n ASN 29 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2jx8 s GLN 30 N -2.73 1.80 -0.36 1.20 0.74 -1.10 -4.75 119.66 114.47 2jx8 s GLN 30 Ca 0.00 1.49 0.02 0.00 0.05 0.00 0.00 55.36 56.91 2jx8 s GLN 30 Cb 0.00 -1.82 0.15 0.00 1.10 0.00 0.00 33.01 32.44 2jx8 s GLN 30 CO 0.00 -2.04 0.30 -1.54 -0.55 0.00 0.00 175.29 171.46 2jx8 s SER 31 N -2.69 1.97 0.11 6.67 1.04 -1.26 -1.12 113.70 118.42 2jx8 s SER 31 Ca 0.67 -1.80 0.00 0.00 0.48 0.00 0.00 55.95 55.30 2jx8 s SER 31 Cb -0.23 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.04 2jx8 s SER 31 CO 0.53 -0.29 0.00 0.18 0.98 0.00 0.00 173.24 174.64 2jx8 n LEU 32 N 4.21 0.00 0.00 2.42 4.77 0.04 -4.94 117.00 123.50 2jx8 n LEU 32 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2jx8 n LEU 32 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2jx8 n LEU 32 CO 0.10 -0.18 0.14 0.79 -1.33 0.00 0.00 177.39 176.91 2jx8 n TRP 33 N -0.46 0.00 -3.63 -1.77 7.02 -1.26 -3.15 117.44 114.18 2jx8 n TRP 33 Ca 0.00 -0.03 -0.15 0.00 -1.02 0.00 0.00 57.50 56.30 2jx8 n TRP 33 Cb 0.00 -0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 28.82 2jx8 n TRP 33 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2jx8 s GLU 34 N -0.05 0.90 -0.04 -0.99 2.12 -1.26 -4.75 118.70 114.64 2jx8 s GLU 34 Ca 0.00 -0.01 -0.40 0.00 0.36 0.00 0.00 54.97 54.92 2jx8 s GLU 34 Cb 0.00 0.41 -0.19 0.00 0.26 0.00 0.00 34.13 34.61 2jx8 s GLU 34 CO 0.00 -0.28 1.19 -1.33 -0.54 0.00 0.00 175.26 174.30 2jx8 n MET 35 N 0.97 0.25 -1.58 4.30 2.81 -1.26 -4.82 117.12 117.79 2jx8 n MET 35 Ca -0.20 0.09 -0.23 0.00 -1.81 0.00 0.00 57.70 55.55 2jx8 n MET 35 Cb 0.57 -1.62 0.16 0.00 -0.71 0.00 0.00 33.22 31.62 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 2.03 -0.96 -3.77 0.03 -0.04 -1.26 -5.11 135.00 125.92 2jx8 n PRO 36 Ca 0.21 -1.70 -0.21 0.00 -0.04 0.00 0.00 63.50 61.76 2jx8 n PRO 36 Cb 0.09 -1.06 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 2jx8 n PRO 36 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2jx8 n VAL 37 N -3.41 0.00 -2.99 0.52 0.31 -1.26 -5.06 118.33 106.43 2jx8 n VAL 37 Ca 0.13 -1.63 0.00 0.00 -0.01 0.00 0.00 64.34 62.84 2jx8 n VAL 37 Cb 0.47 0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.80 2jx8 n VAL 37 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2jx8 n LEU 38 N 0.00 0.00 -0.46 7.52 4.77 -1.26 -4.99 117.00 122.58 2jx8 n LEU 38 Ca -0.11 0.00 0.38 0.00 -0.03 0.00 0.00 56.01 56.25 2jx8 n LEU 38 Cb 0.43 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 42.21 2jx8 n LEU 38 CO 0.23 0.00 1.31 1.23 -1.33 0.00 0.00 177.39 178.83 2jx8 h GLY 39 N 0.00 0.75 -6.18 -0.72 0.00 -2.02 -3.41 103.07 91.49 2jx8 h GLY 39 Ca 0.00 -0.08 -0.77 0.00 0.00 0.00 0.00 47.33 46.48 2jx8 h GLY 39 CO 0.00 -0.20 0.51 -1.06 0.00 0.00 0.00 176.54 175.80 2jx8 n GLN 40 N -4.42 0.57 -3.24 4.80 6.02 -1.26 -1.70 117.38 118.16 2jx8 n GLN 40 Ca 0.35 0.21 -0.13 0.00 -0.01 0.00 0.00 57.00 57.42 2jx8 n GLN 40 Cb 1.45 -1.79 0.05 0.00 1.02 0.00 0.00 30.24 30.97 2jx8 n GLN 40 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2jx8 n HIS 41 N 3.29 -2.55 -0.62 1.08 8.25 -1.26 -4.98 115.22 118.42 2jx8 n HIS 41 Ca 0.24 0.90 -0.17 0.00 -0.26 0.00 0.00 57.72 58.43 2jx8 n HIS 41 Cb 0.09 -4.06 0.15 0.00 1.12 0.00 0.00 29.99 27.29 2jx8 n HIS 41 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2jx8 n ASP 42 N -2.81 -2.08 -4.76 0.41 8.00 -0.69 -4.95 116.55 109.68 2jx8 n ASP 42 Ca -0.06 -0.77 -0.37 0.00 0.71 0.00 0.00 54.79 54.30 2jx8 n ASP 42 Cb 0.59 -0.57 0.02 0.00 -0.02 0.00 0.00 41.12 41.14 2jx8 n ASP 42 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2jx8 s VAL 43 N -1.99 2.72 -0.58 2.53 -7.23 -1.26 -4.86 120.40 109.72 2jx8 s VAL 43 Ca 0.40 0.50 -0.26 0.00 -1.81 0.00 0.00 61.98 60.81 2jx8 s VAL 43 Cb -0.05 -3.23 -0.05 0.00 0.56 0.00 0.00 36.38 33.61 2jx8 s VAL 43 CO 0.31 -0.04 2.14 -0.63 -0.31 0.00 0.00 175.10 176.57 2jx8 s ILE 44 N -1.52 3.18 -0.15 -0.62 -1.09 -1.26 -4.92 121.20 114.83 2jx8 s ILE 44 Ca 0.71 0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 59.19 2jx8 s ILE 44 Cb -0.32 -3.48 0.04 0.00 -1.58 0.00 0.00 42.46 37.12 2jx8 s ILE 44 CO 0.37 -0.46 -0.06 -0.55 -1.23 0.00 0.00 174.94 173.01 2jx8 s SER 45 N 10.12 2.60 -0.80 3.58 0.15 -1.26 -4.85 113.70 123.23 2jx8 s SER 45 Ca 0.82 -0.54 -0.02 0.00 0.70 0.00 0.00 55.95 56.91 2jx8 s SER 45 Cb -0.14 -0.88 -0.03 0.00 -1.71 0.00 0.00 66.02 63.26 2jx8 s SER 45 CO 0.21 -0.16 0.73 -0.67 1.20 0.00 0.00 173.24 174.55 2jx8 n ASP 46 N 4.90 -6.90 0.00 5.45 2.03 -1.26 -5.21 116.55 115.56 2jx8 n ASP 46 Ca -0.12 -0.31 0.10 0.00 0.52 0.00 0.00 54.79 54.98 2jx8 n ASP 46 Cb 0.48 -4.92 0.61 0.00 -0.72 0.00 0.00 41.12 36.57 2jx8 n ASP 46 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47