#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jr3 n ASP 2 N 0.00 0.40 -4.91 1.67 5.68 -1.26 -5.12 116.55 113.01 2jr3 n ASP 2 Ca 0.00 -2.87 -0.22 0.00 -0.50 0.00 0.00 54.79 51.20 2jr3 n ASP 2 Cb 0.00 -0.55 -0.03 0.00 -1.14 0.00 0.00 41.12 39.40 2jr3 n ASP 2 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2jr3 s THR 3 N -1.72 4.94 0.13 2.12 -4.23 -1.26 -5.12 115.64 110.49 2jr3 s THR 3 Ca 0.37 -1.13 -0.02 0.00 -1.18 0.00 0.00 61.69 59.73 2jr3 s THR 3 Cb 0.26 -3.67 0.03 0.00 1.34 0.00 0.00 72.50 70.46 2jr3 s THR 3 CO -0.10 -0.32 0.11 -0.81 -0.54 0.00 0.00 174.62 172.97 2jr3 n PRO 4 N -1.25 -1.25 -1.38 3.99 -0.04 -1.26 -4.84 135.00 128.96 2jr3 n PRO 4 Ca -0.08 -0.18 -0.39 0.00 -0.04 0.00 0.00 63.50 62.81 2jr3 n PRO 4 Cb 0.57 -0.17 -0.02 0.00 -0.04 0.00 0.00 33.50 33.84 2jr3 n PRO 4 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jr3 n SER 5 N -3.20 5.53 -1.40 3.54 2.88 -1.26 -4.87 113.62 114.84 2jr3 n SER 5 Ca 0.02 -2.66 0.00 0.00 -1.33 0.00 0.00 58.87 54.90 2jr3 n SER 5 Cb 0.06 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.04 2jr3 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jr3 n SER 6 N 5.17 0.13 -3.65 -3.46 7.64 -1.26 -5.12 113.62 113.07 2jr3 n SER 6 Ca 0.60 -0.70 -0.02 0.00 1.01 0.00 0.00 58.87 59.76 2jr3 n SER 6 Cb 0.30 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.45 2jr3 n SER 6 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2jr3 s ARG 7 N -0.54 0.02 -0.09 1.43 3.52 -1.26 -4.89 118.95 117.14 2jr3 s ARG 7 Ca 0.00 0.01 -0.36 0.00 -0.13 0.00 0.00 55.73 55.25 2jr3 s ARG 7 Cb 0.00 0.01 -0.14 0.00 -1.56 0.00 0.00 34.95 33.26 2jr3 s ARG 7 CO 0.00 -0.00 1.75 0.00 -0.81 0.00 0.00 175.30 176.24 2jr3 n GLY 9 N 4.04 0.47 0.00 0.00 0.00 0.92 -4.83 105.19 105.79 2jr3 n GLY 9 Ca 0.23 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.54 2jr3 n GLY 9 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jr3 n SER 10 N 0.99 4.22 0.00 1.61 2.88 0.47 -5.02 113.62 118.77 2jr3 n SER 10 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2jr3 n SER 10 Cb 0.38 1.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.95 2jr3 n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jr3 n GLY 11 N 2.34 0.56 0.16 0.46 0.00 -1.25 -4.93 105.19 102.54 2jr3 n GLY 11 Ca -0.01 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.21 2jr3 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jr3 n GLY 12 N 0.00 -0.38 3.75 -0.02 0.00 -1.26 -4.94 105.19 102.34 2jr3 n GLY 12 Ca 0.00 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 2jr3 n GLY 12 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jr3 s TRP 13 N -2.41 3.71 0.02 1.61 0.52 -1.26 -1.08 118.94 120.05 2jr3 s TRP 13 Ca 0.10 1.37 -0.00 0.00 0.02 0.00 0.00 56.10 57.59 2jr3 s TRP 13 Cb 0.14 -2.76 0.01 0.00 -1.15 0.00 0.00 33.47 29.70 2jr3 s TRP 13 CO 0.61 0.28 0.01 0.41 0.02 0.00 0.00 176.95 178.28 2jr3 n GLY 14 N 2.47 -3.65 0.18 0.98 0.00 -1.26 -0.05 105.19 103.86 2jr3 n GLY 14 Ca -0.04 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 2jr3 n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jr3 h PRO 15 N 0.00 -0.35 -0.82 1.61 0.13 -1.95 0.26 132.00 130.87 2jr3 h PRO 15 Ca -0.01 0.02 0.20 0.00 -0.87 0.00 0.00 66.00 65.35 2jr3 h PRO 15 Cb 0.02 0.08 -0.29 0.00 0.13 0.00 0.00 31.00 30.94 2jr3 h PRO 15 CO 0.00 -0.00 0.53 0.00 -0.23 0.00 0.00 178.00 178.30 2jr3 s LEU 17 N 1.67 2.04 0.02 0.00 2.96 0.14 -4.98 118.68 120.54 2jr3 s LEU 17 Ca -0.04 -0.32 -0.30 0.00 -0.22 0.00 0.00 54.13 53.25 2jr3 s LEU 17 Cb -0.03 -0.85 -0.06 0.00 0.50 0.00 0.00 46.19 45.75 2jr3 s LEU 17 CO -0.14 0.19 1.44 -2.16 -1.32 0.00 0.00 176.35 174.36 2jr3 s PRO 18 N -0.46 4.27 0.66 0.98 0.04 -1.26 0.77 135.00 140.00 2jr3 s PRO 18 Ca 0.06 2.03 0.40 0.00 0.04 0.00 0.00 61.00 63.53 2jr3 s PRO 18 Cb -0.07 -3.56 2.19 0.00 0.04 0.00 0.00 34.50 33.10 2jr3 s PRO 18 CO -0.00 -0.59 2.23 0.82 0.04 0.00 0.00 177.00 179.50 2jr3 h ILE 19 N 4.87 0.00 -0.06 0.56 2.04 -1.86 -0.96 117.51 122.09 2jr3 h ILE 19 Ca -0.39 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.49 2jr3 h ILE 19 Cb 1.18 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2jr3 h ILE 19 CO 0.90 0.00 0.08 1.62 0.00 0.00 0.00 178.15 180.76 2jr3 h VAL 20 N 0.00 0.40 -0.01 1.67 3.04 -1.90 -0.80 116.25 118.65 2jr3 h VAL 20 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2jr3 h VAL 20 Cb 0.18 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 2jr3 h VAL 20 CO 0.00 0.00 -0.11 -0.67 -1.01 0.00 0.00 177.57 175.78 2jr3 n ASP 21 N -3.67 1.31 -4.24 3.17 2.03 -0.38 -5.05 116.55 109.73 2jr3 n ASP 21 Ca -0.01 -1.15 -0.35 0.00 0.52 0.00 0.00 54.79 53.79 2jr3 n ASP 21 Cb 0.18 0.30 0.07 0.00 -0.72 0.00 0.00 41.12 40.95 2jr3 n ASP 21 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2jr3 n LEU 22 N -0.02 -2.75 0.00 -2.67 7.94 -0.31 -4.94 117.00 114.25 2jr3 n LEU 22 Ca 0.04 0.35 0.00 0.00 -1.11 0.00 0.00 56.01 55.29 2jr3 n LEU 22 Cb 0.19 -0.99 0.00 0.00 0.53 0.00 0.00 43.42 43.15 2jr3 n LEU 22 CO 0.09 -4.64 -0.03 -0.11 -1.11 0.00 0.00 177.39 171.58 2jr3 n LEU 23 N 1.20 0.00 0.00 -1.96 0.00 -1.26 -5.06 117.00 109.92 2jr3 n LEU 23 Ca 0.04 -0.02 -0.21 0.00 0.00 0.00 0.00 56.01 55.82 2jr3 n LEU 23 Cb 0.53 0.00 0.06 0.00 0.00 0.00 0.00 43.42 44.02 2jr3 n LEU 23 CO 0.52 0.00 0.35 0.00 0.00 0.00 0.00 177.39 178.26 2jr3 n ILE 25 N -2.26 0.00 0.39 0.00 2.08 -1.26 -4.75 119.36 113.56 2jr3 n ILE 25 Ca 0.15 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.51 2jr3 n ILE 25 Cb 0.62 -0.35 0.19 0.00 -0.75 0.00 0.00 39.64 39.35 2jr3 n ILE 25 CO 0.00 0.00 0.00 0.55 0.56 0.00 0.00 176.55 177.66 2jr3 n VAL 26 N -1.82 0.99 -0.06 1.39 3.14 -1.26 -4.58 118.33 116.13 2jr3 n VAL 26 Ca 0.00 -0.61 -0.05 0.00 -2.96 0.00 0.00 64.34 60.71 2jr3 n VAL 26 Cb 0.27 -0.09 0.05 0.00 -1.06 0.00 0.00 33.84 33.01 2jr3 n VAL 26 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jr3 n HIS 27 N 0.45 -2.06 -4.91 1.45 1.44 -1.26 -4.77 115.22 105.56 2jr3 n HIS 27 Ca 0.13 -0.12 -0.27 0.00 -2.01 0.00 0.00 57.72 55.46 2jr3 n HIS 27 Cb 0.54 -0.26 -0.15 0.00 0.12 0.00 0.00 29.99 30.24 2jr3 n HIS 27 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2jr3 s VAL 28 N -1.10 1.61 -0.33 0.61 1.01 -0.16 -4.91 120.40 117.13 2jr3 s VAL 28 Ca 0.12 -0.94 0.14 0.00 0.00 0.00 0.00 61.98 61.29 2jr3 s VAL 28 Cb -0.02 -1.35 0.46 0.00 0.00 0.00 0.00 36.38 35.47 2jr3 s VAL 28 CO 0.10 0.40 1.09 0.35 0.00 0.00 0.00 175.10 177.03 2jr3 n THR 29 N 2.42 1.75 -4.48 3.92 -2.24 -1.26 0.12 114.28 114.50 2jr3 n THR 29 Ca -0.16 -3.74 -0.34 0.00 -2.27 0.00 0.00 64.05 57.54 2jr3 n THR 29 Cb 0.53 -0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.61 2jr3 n THR 29 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2jr3 s VAL 30 N -4.22 4.03 0.00 2.28 1.01 -1.26 -4.43 120.40 117.81 2jr3 s VAL 30 Ca 0.38 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2jr3 s VAL 30 Cb 0.40 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 34.10 2jr3 s VAL 30 CO -0.04 0.60 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2jr3 n GLY 31 N 2.25 2.22 3.53 4.51 0.00 -1.26 -0.29 105.19 116.14 2jr3 n GLY 31 Ca -0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 2jr3 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jr3 s SER 33 N -4.31 6.62 -0.33 0.00 0.15 -1.26 -4.98 113.70 109.58 2jr3 s SER 33 Ca 0.56 0.91 -0.32 0.00 0.70 0.00 0.00 55.95 57.80 2jr3 s SER 33 Cb -0.04 -2.22 -0.09 0.00 -1.71 0.00 0.00 66.02 61.96 2jr3 s SER 33 CO 0.36 -0.07 2.24 0.61 1.20 0.00 0.00 173.24 177.57 2jr3 n GLY 34 N -0.15 0.63 0.00 9.45 0.00 -1.26 -0.91 105.19 112.95 2jr3 n GLY 34 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.88 2jr3 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jr3 n GLY 35 N 6.21 1.33 2.98 -0.02 0.00 -1.26 -5.10 105.19 109.32 2jr3 n GLY 35 Ca 0.37 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.17 2jr3 n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jr3 s PHE 36 N -2.00 1.19 0.06 1.61 0.40 -0.09 -3.24 117.98 115.92 2jr3 s PHE 36 Ca 0.00 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 2jr3 s PHE 36 Cb 0.00 -0.92 -0.00 0.00 0.51 0.00 0.00 43.02 42.61 2jr3 s PHE 36 CO 0.00 -0.24 0.00 0.41 0.70 0.00 0.00 175.22 176.09 2jr3 n GLY 37 N 3.90 4.10 3.04 4.36 0.00 0.23 -4.20 105.19 116.62 2jr3 n GLY 37 Ca -0.24 -2.19 -0.12 0.00 0.00 0.00 0.00 46.02 43.48 2jr3 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jr3 n ARG 40 N -0.87 1.36 -0.10 0.00 5.12 -1.26 -3.99 116.66 116.91 2jr3 n ARG 40 Ca -0.05 0.26 -0.19 0.00 -1.93 0.00 0.00 57.85 55.94 2jr3 n ARG 40 Cb 0.61 -3.10 -0.09 0.00 -1.16 0.00 0.00 32.46 28.72 2jr3 n ARG 40 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2jr3 n ILE 41 N 7.75 1.51 -0.94 0.55 2.08 -0.24 -5.02 119.36 125.06 2jr3 n ILE 41 Ca 0.37 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.69 2jr3 n ILE 41 Cb 0.43 -2.11 0.00 0.00 -0.75 0.00 0.00 39.64 37.21 2jr3 n ILE 41 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72