#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 1.72 0.52 3.23 0.04 -1.26 -4.70 135.00 134.54 2jx8 s PRO 2 Ca 0.00 0.63 0.30 0.00 0.04 0.00 0.00 61.00 61.97 2jx8 s PRO 2 Cb 0.00 -1.88 1.43 0.00 0.04 0.00 0.00 34.50 34.09 2jx8 s PRO 2 CO 0.00 -1.87 1.87 0.93 0.04 0.00 0.00 177.00 177.96 2jx8 h GLU 3 N -1.27 0.07 -0.64 4.56 3.07 -2.05 0.22 114.58 118.54 2jx8 h GLU 3 Ca -0.48 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.41 2jx8 h GLU 3 Cb 1.28 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 29.13 2jx8 h GLU 3 CO 0.59 0.04 0.38 0.93 -1.40 0.00 0.00 179.01 179.55 2jx8 h GLU 4 N 0.07 0.72 0.19 2.33 5.08 -1.97 -1.33 114.58 119.68 2jx8 h GLU 4 Ca 0.46 -0.04 -0.31 0.00 -1.00 0.00 0.00 59.36 58.47 2jx8 h GLU 4 Cb 1.73 -0.16 0.03 0.00 0.50 0.00 0.00 28.75 30.85 2jx8 h GLU 4 CO -0.04 0.48 -1.35 -0.07 -1.00 0.00 0.00 179.01 177.03 2jx8 h LEU 5 N 0.75 0.85 -1.63 1.33 3.38 -1.32 -3.26 115.31 115.41 2jx8 h LEU 5 Ca 0.26 -0.88 0.10 0.00 0.09 0.00 0.00 57.88 57.45 2jx8 h LEU 5 Cb 0.06 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 2jx8 h LEU 5 CO -0.12 1.66 0.40 0.58 0.09 0.00 0.00 178.44 181.05 2jx8 h VAL 6 N 0.17 0.90 -0.40 1.22 2.07 -1.13 -1.35 116.25 117.73 2jx8 h VAL 6 Ca -0.22 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 2jx8 h VAL 6 Cb 2.04 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 2jx8 h VAL 6 CO 0.26 0.08 0.08 -0.74 0.02 0.00 0.00 177.57 177.26 2jx8 h HIS 7 N 0.41 0.70 0.05 1.57 2.76 -1.28 -3.17 115.15 116.19 2jx8 h HIS 7 Ca 0.28 -0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 58.35 2jx8 h HIS 7 Cb 0.54 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.30 2jx8 h HIS 7 CO -0.00 0.68 -0.02 0.00 -1.30 0.00 0.00 177.93 177.29 2jx8 h ALA 8 N 0.94 -0.06 0.00 5.26 0.00 -1.34 -3.47 119.26 120.58 2jx8 h ALA 8 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jx8 h ALA 8 Cb 0.35 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jx8 h ALA 8 CO 0.01 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.25 2jx8 n GLY 9 N -0.47 0.63 3.91 0.00 0.00 -0.78 -4.62 105.19 103.86 2jx8 n GLY 9 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.85 3.49 -0.29 1.61 0.52 -1.14 -0.98 118.94 121.30 2jx8 s TRP 10 Ca 0.00 0.67 -0.13 0.00 0.02 0.00 0.00 56.10 56.66 2jx8 s TRP 10 Cb 0.00 -2.14 0.11 0.00 -1.15 0.00 0.00 33.47 30.29 2jx8 s TRP 10 CO 0.00 0.06 0.68 -1.83 0.02 0.00 0.00 176.95 175.89 2jx8 s GLU 11 N -3.89 0.63 0.02 4.98 -1.05 -1.17 -4.72 118.70 113.50 2jx8 s GLU 11 Ca 0.45 1.31 -0.30 0.00 -0.15 0.00 0.00 54.97 56.28 2jx8 s GLU 11 Cb -0.10 0.49 -0.04 0.00 -0.44 0.00 0.00 34.13 34.04 2jx8 s GLU 11 CO 0.33 -0.17 1.04 0.21 0.95 0.00 0.00 175.26 177.63 2jx8 s LYS 12 N 2.23 4.52 0.00 -4.83 2.20 -1.26 -1.76 119.74 120.85 2jx8 s LYS 12 Ca -0.08 1.52 0.00 0.00 -0.36 0.00 0.00 55.97 57.05 2jx8 s LYS 12 Cb -0.08 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 2jx8 s LYS 12 CO -0.19 -0.11 0.00 0.00 -0.36 0.00 0.00 175.35 174.68 2jx8 s TRP 14 N -2.07 3.43 0.09 0.00 -0.11 -1.26 -1.59 118.94 117.43 2jx8 s TRP 14 Ca 0.00 -2.55 -0.30 0.00 1.22 0.00 0.00 56.10 54.47 2jx8 s TRP 14 Cb 0.00 -2.25 -0.06 0.00 -1.50 0.00 0.00 33.47 29.66 2jx8 s TRP 14 CO 0.00 -0.90 1.18 0.45 -4.62 0.00 0.00 176.95 173.06 2jx8 s SER 15 N 1.04 7.12 0.22 5.86 0.15 0.59 -4.89 113.70 123.78 2jx8 s SER 15 Ca -0.03 2.05 0.11 0.00 0.70 0.00 0.00 55.95 58.78 2jx8 s SER 15 Cb -0.20 -2.59 0.06 0.00 -1.71 0.00 0.00 66.02 61.59 2jx8 s SER 15 CO -0.06 -0.41 1.43 0.03 1.20 0.00 0.00 173.24 175.43 2jx8 h ARG 16 N 6.33 0.00 -0.06 5.44 3.08 -1.97 -1.82 114.38 125.37 2jx8 h ARG 16 Ca -0.42 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.60 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 0.79 0.73 -0.08 0.00 -1.07 0.00 0.00 179.97 180.34 2jx8 h ARG 17 N 0.00 0.16 0.00 0.04 3.08 -1.94 -3.08 114.38 112.64 2jx8 h ARG 17 Ca -0.01 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2jx8 h ARG 17 Cb 1.46 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.51 2jx8 h ARG 17 CO 0.09 0.63 -0.03 0.39 -1.07 0.00 0.00 179.97 179.98 2jx8 n GLU 18 N -4.71 0.06 -3.51 0.04 -0.58 -1.25 -4.92 120.64 105.77 2jx8 n GLU 18 Ca -0.08 0.05 -0.20 0.00 -0.42 0.00 0.00 57.16 56.51 2jx8 n GLU 18 Cb 0.31 -1.57 0.08 0.00 -0.57 0.00 0.00 31.44 29.70 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 -1.66 -3.53 -3.63 1.62 2.85 -0.71 -4.96 115.26 105.22 2jx8 n ASN 19 Ca 0.07 -0.61 -0.00 0.00 -0.11 0.00 0.00 54.58 53.93 2jx8 n ASN 19 Cb 0.36 -5.02 0.00 0.00 1.24 0.00 0.00 39.78 36.36 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 0.74 0.58 1.20 1.70 -1.04 -5.01 118.95 111.38 2jx8 s ARG 20 Ca 0.21 -0.45 -0.06 0.00 -0.47 0.00 0.00 55.73 54.97 2jx8 s ARG 20 Cb -0.10 0.23 0.01 0.00 -0.57 0.00 0.00 34.95 34.52 2jx8 s ARG 20 CO 0.74 -0.34 0.89 -1.25 -1.08 0.00 0.00 175.30 174.25 2jx8 s PRO 21 N -2.44 2.94 0.00 3.89 0.04 -1.26 -0.30 135.00 137.87 2jx8 s PRO 21 Ca 0.19 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.21 2jx8 s PRO 21 Cb 0.01 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2jx8 s PRO 21 CO -0.00 -0.68 0.00 2.48 0.04 0.00 0.00 177.00 178.84 2jx8 n TYR 22 N -2.56 0.00 -4.03 0.56 4.11 -0.62 -4.82 117.16 109.80 2jx8 n TYR 22 Ca 0.04 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.77 2jx8 n TYR 22 Cb 0.57 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 -0.44 0.45 -0.21 -3.48 1.51 -1.17 -2.97 117.35 111.03 2jx8 s TYR 23 Ca 0.00 -0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 2jx8 s TYR 23 Cb 0.00 -0.45 0.05 0.00 -0.11 0.00 0.00 41.96 41.45 2jx8 s TYR 23 CO 0.00 -0.12 -0.08 0.12 -1.11 0.00 0.00 175.55 174.35 2jx8 s PHE 24 N 0.79 2.41 -0.55 2.71 5.36 -0.72 -0.68 117.98 127.29 2jx8 s PHE 24 Ca -0.09 -1.66 -0.28 0.00 -0.96 0.00 0.00 56.93 53.94 2jx8 s PHE 24 Cb -0.12 -1.61 0.02 0.00 -0.34 0.00 0.00 43.02 40.97 2jx8 s PHE 24 CO -0.01 -0.75 1.30 1.21 -1.46 0.00 0.00 175.22 175.51 2jx8 s ASN 25 N 1.39 6.32 0.00 6.13 3.04 -0.28 -3.03 114.94 128.50 2jx8 s ASN 25 Ca -0.03 0.25 0.14 0.00 0.04 0.00 0.00 52.86 53.26 2jx8 s ASN 25 Cb -0.17 -2.55 0.71 0.00 -1.54 0.00 0.00 41.25 37.70 2jx8 s ASN 25 CO -0.07 -1.56 1.40 -2.11 -3.04 0.00 0.00 177.10 171.71 2jx8 n ARG 26 N 8.48 0.18 -0.09 0.43 1.85 -0.15 0.74 116.66 128.10 2jx8 n ARG 26 Ca 0.11 0.16 -0.16 0.00 -1.00 0.00 0.00 57.85 56.96 2jx8 n ARG 26 Cb 0.49 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.30 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 -0.35 2.89 3.57 -1.82 -3.39 116.94 117.85 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 0.15 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.89 2jx8 h PHE 27 CO 0.00 1.09 0.00 -2.37 -2.23 0.00 0.00 178.31 174.80 2jx8 n THR 28 N -4.52 1.49 -1.46 4.41 5.66 -1.18 -4.94 114.28 113.74 2jx8 n THR 28 Ca -0.21 -1.30 -0.16 0.00 -3.05 0.00 0.00 64.05 59.32 2jx8 n THR 28 Cb 0.54 0.23 -0.07 0.00 -1.55 0.00 0.00 70.33 69.47 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 0.24 -5.58 -4.70 1.09 5.15 0.23 -4.94 115.26 106.75 2jx8 n ASN 29 Ca 0.16 0.40 -0.31 0.00 -0.60 0.00 0.00 54.58 54.22 2jx8 n ASN 29 Cb 0.62 -4.52 0.14 0.00 -0.53 0.00 0.00 39.78 35.49 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 -3.35 1.38 -0.36 1.20 0.74 -1.08 -4.72 119.66 113.47 2jx8 s GLN 30 Ca 0.00 1.47 0.02 0.00 0.05 0.00 0.00 55.36 56.89 2jx8 s GLN 30 Cb 0.00 -1.77 0.15 0.00 1.10 0.00 0.00 33.01 32.48 2jx8 s GLN 30 CO 0.00 -2.35 0.30 -1.54 -0.55 0.00 0.00 175.29 171.15 2jx8 s SER 31 N -2.82 2.02 0.16 6.67 1.04 -1.26 -1.13 113.70 118.38 2jx8 s SER 31 Ca 0.66 -1.89 0.00 0.00 0.48 0.00 0.00 55.95 55.20 2jx8 s SER 31 Cb -0.22 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2jx8 s SER 31 CO 0.57 -0.28 0.00 0.18 0.98 0.00 0.00 173.24 174.69 2jx8 n LEU 32 N 4.13 0.00 0.00 2.42 4.77 0.14 -4.93 117.00 123.53 2jx8 n LEU 32 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2jx8 n LEU 32 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2jx8 n LEU 32 CO 0.11 -0.22 0.15 0.79 -1.33 0.00 0.00 177.39 176.89 2jx8 n TRP 33 N -0.59 0.00 -3.68 -1.77 7.02 -1.26 -3.05 117.44 114.10 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 -0.08 0.00 -2.42 0.00 0.00 31.31 28.81 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 -0.06 0.74 -0.08 -0.99 0.41 -1.26 -4.76 118.70 112.70 2jx8 s GLU 34 Ca 0.00 0.16 -0.41 0.00 -0.41 0.00 0.00 54.97 54.31 2jx8 s GLU 34 Cb 0.00 0.34 -0.20 0.00 -1.78 0.00 0.00 34.13 32.50 2jx8 s GLU 34 CO 0.00 -0.19 1.19 -1.33 -0.49 0.00 0.00 175.26 174.44 2jx8 n MET 35 N 1.60 0.12 -0.86 1.61 2.81 -1.26 -4.83 117.12 116.31 2jx8 n MET 35 Ca -0.19 0.04 -0.14 0.00 -1.81 0.00 0.00 57.70 55.61 2jx8 n MET 35 Cb 0.56 -1.56 0.10 0.00 -0.71 0.00 0.00 33.22 31.61 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 2.07 -0.67 -4.58 0.03 -0.04 -1.26 -5.10 135.00 125.45 2jx8 n PRO 36 Ca 0.22 -0.95 -0.27 0.00 -0.04 0.00 0.00 63.50 62.46 2jx8 n PRO 36 Cb 0.07 -0.64 -0.11 0.00 -0.04 0.00 0.00 33.50 32.78 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 -2.33 2.00 -0.20 0.52 1.01 -1.26 -5.06 120.40 115.08 2jx8 s VAL 37 Ca 0.35 -2.06 -0.33 0.00 0.00 0.00 0.00 61.98 59.94 2jx8 s VAL 37 Cb -0.01 -2.88 0.15 0.00 0.00 0.00 0.00 36.38 33.64 2jx8 s VAL 37 CO 0.25 -0.06 1.20 -0.22 0.00 0.00 0.00 175.10 176.27 2jx8 s LEU 38 N -3.66 -0.15 0.00 3.92 0.20 -1.26 -5.00 118.68 112.73 2jx8 s LEU 38 Ca 0.34 0.07 0.00 0.00 0.69 0.00 0.00 54.13 55.23 2jx8 s LEU 38 Cb 0.08 1.40 0.00 0.00 -0.43 0.00 0.00 46.19 47.24 2jx8 s LEU 38 CO 0.17 -0.22 0.00 0.61 -0.29 0.00 0.00 176.35 176.63 2jx8 n GLY 39 N 0.16 -1.74 3.06 7.98 0.00 -1.26 -5.01 105.19 108.37 2jx8 n GLY 39 Ca -0.01 0.61 -0.24 0.00 0.00 0.00 0.00 46.02 46.37 2jx8 n GLY 39 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jx8 n GLN 40 N 0.00 -1.64 -3.63 1.61 6.02 -1.26 -5.10 117.38 113.38 2jx8 n GLN 40 Ca 0.00 -1.60 -0.12 0.00 -0.01 0.00 0.00 57.00 55.28 2jx8 n GLN 40 Cb 0.00 -1.20 -0.07 0.00 1.02 0.00 0.00 30.24 29.99 2jx8 n GLN 40 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2jx8 s HIS 41 N -3.13 -0.69 0.90 1.08 3.76 -1.26 -5.17 115.29 110.78 2jx8 s HIS 41 Ca 0.61 1.64 -0.11 0.00 -0.15 0.00 0.00 55.06 57.04 2jx8 s HIS 41 Cb -0.03 0.32 0.18 0.00 1.11 0.00 0.00 32.58 34.17 2jx8 s HIS 41 CO 0.44 -0.33 1.23 -0.51 -0.85 0.00 0.00 174.74 174.72 2jx8 s ASP 42 N 0.42 3.44 -0.26 1.40 1.11 -1.26 -5.05 116.67 116.47 2jx8 s ASP 42 Ca 0.00 0.05 -0.06 0.00 0.18 0.00 0.00 52.55 52.72 2jx8 s ASP 42 Cb -0.05 -0.18 -0.01 0.00 1.07 0.00 0.00 42.92 43.75 2jx8 s ASP 42 CO -0.03 -2.50 0.05 -0.69 1.18 0.00 0.00 175.17 173.17 2jx8 s VAL 43 N -3.68 3.98 0.26 -1.27 1.01 -1.26 -5.07 120.40 114.38 2jx8 s VAL 43 Ca 0.72 -0.42 -0.31 0.00 0.00 0.00 0.00 61.98 61.97 2jx8 s VAL 43 Cb -0.04 -2.92 -0.12 0.00 0.00 0.00 0.00 36.38 33.30 2jx8 s VAL 43 CO 0.51 0.27 1.53 2.30 0.00 0.00 0.00 175.10 179.70 2jx8 n ILE 44 N 4.88 0.90 -1.28 2.22 -6.64 -1.26 -4.66 119.36 113.51 2jx8 n ILE 44 Ca -0.16 -0.23 0.17 0.00 -1.77 0.00 0.00 62.75 60.76 2jx8 n ILE 44 Cb 0.50 -1.75 -0.05 0.00 -1.44 0.00 0.00 39.64 36.90 2jx8 n ILE 44 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 2jx8 n SER 45 N 2.30 -7.54 -3.46 7.28 7.64 -1.26 -4.88 113.62 113.69 2jx8 n SER 45 Ca 0.10 0.60 -0.23 0.00 1.01 0.00 0.00 58.87 60.35 2jx8 n SER 45 Cb 0.34 -4.00 0.06 0.00 -1.01 0.00 0.00 64.21 59.60 2jx8 n SER 45 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jx8 n ASP 46 N -4.32 -6.03 0.00 6.43 8.00 -1.26 -5.22 116.55 114.14 2jx8 n ASP 46 Ca -0.00 -0.85 0.10 0.00 0.71 0.00 0.00 54.79 54.74 2jx8 n ASP 46 Cb 0.65 -4.29 0.57 0.00 -0.02 0.00 0.00 41.12 38.03 2jx8 n ASP 46 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00