#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 0.67 0.56 3.23 0.04 -1.26 -4.64 135.00 133.60 2jx8 s PRO 2 Ca 0.00 0.36 0.31 0.00 0.04 0.00 0.00 61.00 61.71 2jx8 s PRO 2 Cb 0.00 -1.78 1.46 0.00 0.04 0.00 0.00 34.50 34.22 2jx8 s PRO 2 CO 0.00 -2.53 1.83 1.49 0.04 0.00 0.00 177.00 177.83 2jx8 h GLU 3 N -1.74 0.00 0.34 4.56 4.57 -2.03 -1.22 114.58 119.05 2jx8 h GLU 3 Ca -0.52 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.65 2jx8 h GLU 3 Cb 1.33 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.91 2jx8 h GLU 3 CO 0.59 0.00 -0.24 0.93 -1.18 0.00 0.00 179.01 179.11 2jx8 h GLU 4 N 0.00 -0.55 -0.16 1.92 3.07 -2.01 -1.19 114.58 115.67 2jx8 h GLU 4 Ca 0.38 0.04 -0.20 0.00 -0.50 0.00 0.00 59.36 59.08 2jx8 h GLU 4 Cb 1.73 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.77 2jx8 h GLU 4 CO -0.00 -0.36 -0.71 -0.07 -1.40 0.00 0.00 179.01 176.46 2jx8 h LEU 5 N -0.57 0.80 -1.44 1.33 3.38 -1.58 -3.10 115.31 114.14 2jx8 h LEU 5 Ca -0.03 -0.50 0.09 0.00 0.09 0.00 0.00 57.88 57.53 2jx8 h LEU 5 Cb 0.48 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2jx8 h LEU 5 CO 0.01 1.28 0.48 0.58 0.09 0.00 0.00 178.44 180.88 2jx8 h VAL 6 N 0.48 0.94 -0.66 1.22 2.07 -1.22 -0.77 116.25 118.31 2jx8 h VAL 6 Ca -0.03 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 2jx8 h VAL 6 Cb 1.32 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2jx8 h VAL 6 CO 0.14 0.12 0.12 -0.74 0.02 0.00 0.00 177.57 177.22 2jx8 h HIS 7 N 0.63 1.14 -0.08 1.57 6.17 -1.14 -2.55 115.15 120.90 2jx8 h HIS 7 Ca 0.33 -0.15 -0.06 0.00 0.71 0.00 0.00 60.37 61.20 2jx8 h HIS 7 Cb 0.46 -0.32 -0.01 0.00 2.52 0.00 0.00 27.41 30.06 2jx8 h HIS 7 CO -0.00 0.96 -0.20 0.00 0.71 0.00 0.00 177.93 179.39 2jx8 h ALA 8 N 1.05 1.51 0.00 5.26 0.00 -1.17 -3.46 119.26 122.45 2jx8 h ALA 8 Ca 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jx8 h ALA 8 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jx8 h ALA 8 CO 0.01 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.02 2jx8 n GLY 9 N -0.80 1.89 3.78 0.00 0.00 -0.89 -4.45 105.19 104.72 2jx8 n GLY 9 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 3.88 -0.03 1.61 0.52 -1.02 -1.04 118.94 120.87 2jx8 s TRP 10 Ca 0.00 1.63 -0.01 0.00 0.02 0.00 0.00 56.10 57.74 2jx8 s TRP 10 Cb 0.00 -2.77 0.03 0.00 -1.15 0.00 0.00 33.47 29.58 2jx8 s TRP 10 CO 0.00 0.49 0.05 -1.21 0.02 0.00 0.00 176.95 176.29 2jx8 s GLU 11 N -1.26 -0.06 0.00 4.98 2.02 -1.03 -4.49 118.70 118.87 2jx8 s GLU 11 Ca 0.37 0.29 -0.30 0.00 0.02 0.00 0.00 54.97 55.35 2jx8 s GLU 11 Cb -0.23 -0.38 -0.05 0.00 0.10 0.00 0.00 34.13 33.57 2jx8 s GLU 11 CO 0.26 -0.25 1.26 0.21 0.02 0.00 0.00 175.26 176.76 2jx8 s LYS 12 N 1.64 4.35 0.33 1.61 2.20 -1.26 -2.26 119.74 126.36 2jx8 s LYS 12 Ca -0.02 1.80 0.06 0.00 -0.36 0.00 0.00 55.97 57.44 2jx8 s LYS 12 Cb -0.12 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 2jx8 s LYS 12 CO -0.03 -0.43 0.33 0.00 -0.36 0.00 0.00 175.35 174.86 2jx8 s TRP 14 N -3.24 3.35 0.09 0.00 -0.11 -1.26 -1.54 118.94 116.23 2jx8 s TRP 14 Ca 0.37 -2.18 -0.31 0.00 1.22 0.00 0.00 56.10 55.20 2jx8 s TRP 14 Cb 0.01 -2.26 -0.06 0.00 -1.50 0.00 0.00 33.47 29.66 2jx8 s TRP 14 CO 0.26 -0.86 1.21 0.45 -4.62 0.00 0.00 176.95 173.39 2jx8 s SER 15 N 1.23 7.07 0.00 5.86 0.15 0.79 -4.88 113.70 123.93 2jx8 s SER 15 Ca -0.03 2.07 -0.20 0.00 0.70 0.00 0.00 55.95 58.48 2jx8 s SER 15 Cb -0.20 -2.58 -0.21 0.00 -1.71 0.00 0.00 66.02 61.31 2jx8 s SER 15 CO -0.03 -0.46 1.13 0.03 1.20 0.00 0.00 173.24 175.12 2jx8 h ARG 16 N 6.50 0.38 -0.46 5.44 3.08 -1.96 -0.83 114.38 126.52 2jx8 h ARG 16 Ca -0.42 -0.36 0.06 0.00 0.07 0.00 0.00 59.98 59.33 2jx8 h ARG 16 Cb 1.21 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 31.30 2jx8 h ARG 16 CO 0.80 1.02 0.17 -0.09 -1.07 0.00 0.00 179.97 180.80 2jx8 h ARG 17 N -0.14 0.33 0.00 0.04 2.43 -1.95 -0.85 114.38 114.25 2jx8 h ARG 17 Ca -0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2jx8 h ARG 17 Cb 1.15 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2jx8 h ARG 17 CO 0.09 0.22 -0.06 0.39 -1.51 0.00 0.00 179.97 179.11 2jx8 n GLU 18 N -5.00 0.18 -3.59 0.20 -0.58 -1.24 -4.93 120.64 105.68 2jx8 n GLU 18 Ca 0.04 0.14 -0.22 0.00 -0.42 0.00 0.00 57.16 56.70 2jx8 n GLU 18 Cb 0.17 -1.70 0.07 0.00 -0.57 0.00 0.00 31.44 29.42 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 -2.01 -3.93 -3.65 1.62 5.15 -0.32 -4.96 115.26 107.16 2jx8 n ASN 19 Ca 0.06 -0.64 -0.02 0.00 -0.60 0.00 0.00 54.58 53.39 2jx8 n ASN 19 Cb 0.40 -4.79 -0.00 0.00 -0.53 0.00 0.00 39.78 34.86 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 -5.97 0.94 0.55 1.20 1.70 -0.96 -5.01 118.95 111.41 2jx8 s ARG 20 Ca 0.31 -0.54 -0.06 0.00 -0.47 0.00 0.00 55.73 54.97 2jx8 s ARG 20 Cb -0.14 0.31 -0.01 0.00 -0.57 0.00 0.00 34.95 34.54 2jx8 s ARG 20 CO 0.75 -0.43 0.86 -1.25 -1.08 0.00 0.00 175.30 174.16 2jx8 s PRO 21 N -2.78 3.15 0.00 3.89 0.04 -1.26 -0.15 135.00 137.89 2jx8 s PRO 21 Ca 0.15 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.27 2jx8 s PRO 21 Cb 0.00 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2jx8 s PRO 21 CO 0.01 -0.53 0.00 2.48 0.04 0.00 0.00 177.00 179.00 2jx8 n TYR 22 N -2.48 0.00 -4.13 0.56 4.11 -0.59 -4.83 117.16 109.80 2jx8 n TYR 22 Ca 0.03 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.73 2jx8 n TYR 22 Cb 0.57 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.74 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 -1.08 0.74 -0.26 -3.48 1.51 -1.18 -3.23 117.35 110.38 2jx8 s TYR 23 Ca 0.00 -0.20 0.03 0.00 -1.01 0.00 0.00 57.07 55.88 2jx8 s TYR 23 Cb 0.00 -0.67 0.06 0.00 -0.11 0.00 0.00 41.96 41.24 2jx8 s TYR 23 CO 0.00 -0.20 -0.09 0.12 -1.11 0.00 0.00 175.55 174.27 2jx8 s PHE 24 N 0.98 3.16 -0.68 2.71 5.36 -0.96 -0.82 117.98 127.73 2jx8 s PHE 24 Ca -0.10 -2.28 -0.27 0.00 -0.96 0.00 0.00 56.93 53.32 2jx8 s PHE 24 Cb -0.14 -1.92 0.03 0.00 -0.34 0.00 0.00 43.02 40.65 2jx8 s PHE 24 CO -0.00 -0.87 1.26 1.21 -1.46 0.00 0.00 175.22 175.36 2jx8 s ASN 25 N 1.14 6.25 0.30 6.13 3.04 -0.32 -2.47 114.94 129.02 2jx8 s ASN 25 Ca -0.08 -0.22 0.23 0.00 0.04 0.00 0.00 52.86 52.83 2jx8 s ASN 25 Cb -0.20 -2.56 1.11 0.00 -1.54 0.00 0.00 41.25 38.06 2jx8 s ASN 25 CO -0.05 -1.71 1.69 -2.11 -3.04 0.00 0.00 177.10 171.88 2jx8 n ARG 26 N 9.02 0.17 -0.06 0.43 1.85 -0.20 0.11 116.66 127.98 2jx8 n ARG 26 Ca 0.05 0.55 -0.03 0.00 -1.00 0.00 0.00 57.85 57.42 2jx8 n ARG 26 Cb 0.49 -1.93 -0.02 0.00 -1.05 0.00 0.00 32.46 29.94 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 -0.61 2.89 3.04 -1.78 -3.36 116.94 117.12 2jx8 h PHE 27 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2jx8 h PHE 27 Cb 0.16 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.67 2jx8 h PHE 27 CO 0.00 0.19 0.00 0.25 -2.02 0.00 0.00 178.31 176.73 2jx8 n THR 28 N -4.73 1.02 -1.47 4.41 -2.24 -1.16 -4.90 114.28 105.20 2jx8 n THR 28 Ca -0.03 -0.88 -0.15 0.00 -2.27 0.00 0.00 64.05 60.71 2jx8 n THR 28 Cb 0.11 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.61 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 1.25 -4.06 -4.79 3.42 2.85 0.31 -4.92 115.26 109.32 2jx8 n ASN 29 Ca 0.21 0.37 -0.31 0.00 -0.11 0.00 0.00 54.58 54.74 2jx8 n ASN 29 Cb 0.59 -3.71 0.07 0.00 1.24 0.00 0.00 39.78 37.97 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 -3.35 2.64 -0.35 1.20 0.74 -1.08 -4.78 119.66 114.68 2jx8 s GLN 30 Ca 0.00 1.12 -0.00 0.00 0.05 0.00 0.00 55.36 56.52 2jx8 s GLN 30 Cb 0.00 -1.95 0.13 0.00 1.10 0.00 0.00 33.01 32.30 2jx8 s GLN 30 CO 0.00 -1.35 0.20 -1.54 -0.55 0.00 0.00 175.29 172.05 2jx8 s SER 31 N -3.41 3.10 0.27 6.67 1.04 -1.26 -1.17 113.70 118.94 2jx8 s SER 31 Ca 0.61 -2.07 0.00 0.00 0.48 0.00 0.00 55.95 54.97 2jx8 s SER 31 Cb -0.16 -0.43 0.00 0.00 0.10 0.00 0.00 66.02 65.53 2jx8 s SER 31 CO 0.53 -0.33 0.00 0.18 0.98 0.00 0.00 173.24 174.60 2jx8 n LEU 32 N 4.21 0.00 0.00 2.42 4.77 -0.00 -4.93 117.00 123.47 2jx8 n LEU 32 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2jx8 n LEU 32 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2jx8 n LEU 32 CO 0.13 -0.29 0.14 0.79 -1.33 0.00 0.00 177.39 176.83 2jx8 n TRP 33 N -0.86 0.00 -3.68 -1.77 7.02 -1.26 -3.08 117.44 113.81 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 -0.08 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 0.71 -0.34 -0.99 2.02 -1.26 -4.75 118.70 114.03 2jx8 s GLU 34 Ca 0.00 0.35 -0.45 0.00 0.02 0.00 0.00 54.97 54.89 2jx8 s GLU 34 Cb 0.00 0.33 -0.20 0.00 0.10 0.00 0.00 34.13 34.37 2jx8 s GLU 34 CO 0.00 -0.16 1.44 -1.33 0.02 0.00 0.00 175.26 175.24 2jx8 n MET 35 N 1.97 0.04 -0.02 1.61 2.81 -1.26 -4.85 117.12 117.41 2jx8 n MET 35 Ca -0.17 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.73 2jx8 n MET 35 Cb 0.56 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 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 3.28 0.92 -4.39 0.03 -0.04 -1.26 -5.12 135.00 128.41 2jx8 n PRO 36 Ca 0.28 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.52 2jx8 n PRO 36 Cb -0.01 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.36 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 -0.06 0.36 0.01 0.52 1.01 -1.26 -5.08 120.40 115.90 2jx8 s VAL 37 Ca 0.00 -2.00 -0.11 0.00 0.00 0.00 0.00 61.98 59.87 2jx8 s VAL 37 Cb 0.00 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.94 2jx8 s VAL 37 CO 0.00 0.00 0.22 -0.22 0.00 0.00 0.00 175.10 175.10 2jx8 s LEU 38 N -3.46 1.23 0.00 3.92 0.20 -1.26 -5.01 118.68 114.30 2jx8 s LEU 38 Ca 0.32 -0.13 0.00 0.00 0.69 0.00 0.00 54.13 55.01 2jx8 s LEU 38 Cb 0.04 0.98 0.00 0.00 -0.43 0.00 0.00 46.19 46.77 2jx8 s LEU 38 CO 0.19 -0.45 0.00 0.61 -0.29 0.00 0.00 176.35 176.41 2jx8 n GLY 39 N 1.20 0.17 2.21 7.98 0.00 -1.26 -5.03 105.19 110.46 2jx8 n GLY 39 Ca -0.21 0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 2.31 -3.56 1.61 6.02 -1.26 -4.89 117.38 117.61 2jx8 n GLN 40 Ca 0.00 -2.52 -0.16 0.00 -0.01 0.00 0.00 57.00 54.32 2jx8 n GLN 40 Cb 0.00 -2.00 -0.06 0.00 1.02 0.00 0.00 30.24 29.20 2jx8 n GLN 40 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 2jx8 s HIS 41 N -2.84 -0.64 0.06 1.08 -3.43 -1.26 -5.18 115.29 103.08 2jx8 s HIS 41 Ca 0.50 1.23 0.00 0.00 -0.80 0.00 0.00 55.06 55.98 2jx8 s HIS 41 Cb 0.38 0.38 0.01 0.00 -1.43 0.00 0.00 32.58 31.93 2jx8 s HIS 41 CO -0.05 -0.51 0.08 -0.25 -2.00 0.00 0.00 174.74 172.01 2jx8 n ASP 42 N 1.31 0.13 -4.80 7.38 8.00 -1.26 -5.07 116.55 122.24 2jx8 n ASP 42 Ca -0.16 -1.10 -0.33 0.00 0.71 0.00 0.00 54.79 53.90 2jx8 n ASP 42 Cb 0.57 -0.05 0.01 0.00 -0.02 0.00 0.00 41.12 41.63 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 0.10 3.71 -0.60 2.53 -7.23 -1.26 -4.22 120.40 113.44 2jx8 s VAL 43 Ca 0.06 0.83 -0.16 0.00 -1.81 0.00 0.00 61.98 60.89 2jx8 s VAL 43 Cb -0.00 -3.35 0.02 0.00 0.56 0.00 0.00 36.38 33.61 2jx8 s VAL 43 CO 0.04 -0.46 0.64 -0.38 -0.31 0.00 0.00 175.10 174.63 2jx8 n ILE 44 N -2.01 -6.72 -3.43 -0.62 5.41 -1.26 -4.98 119.36 105.76 2jx8 n ILE 44 Ca 0.09 0.19 -0.28 0.00 1.00 0.00 0.00 62.75 63.76 2jx8 n ILE 44 Cb 0.53 -4.95 -0.11 0.00 -0.71 0.00 0.00 39.64 34.39 2jx8 n ILE 44 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2jx8 s SER 45 N -2.42 2.36 -1.01 4.38 0.15 -1.26 -4.90 113.70 111.01 2jx8 s SER 45 Ca 0.18 -2.45 -0.01 0.00 0.70 0.00 0.00 55.95 54.38 2jx8 s SER 45 Cb -0.03 -0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 63.91 2jx8 s SER 45 CO 0.83 -0.26 0.84 -0.67 1.20 0.00 0.00 173.24 175.19 2jx8 n ASP 46 N 3.66 -2.75 0.00 5.45 -0.08 -1.26 -5.03 116.55 116.54 2jx8 n ASP 46 Ca 0.18 -0.55 0.10 0.00 -1.51 0.00 0.00 54.79 53.02 2jx8 n ASP 46 Cb 0.41 -4.48 0.62 0.00 2.34 0.00 0.00 41.12 40.01 2jx8 n ASP 46 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51