#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jr3 s ASP 2 N 0.00 4.48 0.53 1.67 1.01 -1.26 -5.10 116.67 118.00 2jr3 s ASP 2 Ca 0.00 -1.64 -0.08 0.00 0.71 0.00 0.00 52.55 51.54 2jr3 s ASP 2 Cb 0.00 -1.51 -0.04 0.00 1.01 0.00 0.00 42.92 42.38 2jr3 s ASP 2 CO 0.00 -0.27 0.87 0.42 0.21 0.00 0.00 175.17 176.41 2jr3 s THR 3 N 1.08 4.83 0.58 -1.27 -4.23 -1.26 -5.08 115.64 110.29 2jr3 s THR 3 Ca -0.01 0.48 -0.10 0.00 -1.18 0.00 0.00 61.69 60.88 2jr3 s THR 3 Cb -0.19 -3.86 0.15 0.00 1.34 0.00 0.00 72.50 69.93 2jr3 s THR 3 CO -0.07 -0.93 0.52 -0.81 -0.54 0.00 0.00 174.62 172.79 2jr3 n PRO 4 N -2.36 -2.04 -1.45 3.99 -0.04 -1.26 -4.86 135.00 126.98 2jr3 n PRO 4 Ca 0.03 -0.83 -0.40 0.00 -0.04 0.00 0.00 63.50 62.26 2jr3 n PRO 4 Cb 0.55 -0.78 -0.02 0.00 -0.04 0.00 0.00 33.50 33.21 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 -3.89 7.76 -1.31 3.54 2.88 -1.26 -4.87 113.62 116.46 2jr3 n SER 5 Ca 0.07 -2.67 0.00 0.00 -1.33 0.00 0.00 58.87 54.94 2jr3 n SER 5 Cb 0.28 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.17 2jr3 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2jr3 n SER 6 N 3.93 0.58 -3.65 -3.46 2.88 -1.26 -5.12 113.62 107.52 2jr3 n SER 6 Ca 0.72 -0.66 -0.02 0.00 -1.33 0.00 0.00 58.87 57.59 2jr3 n SER 6 Cb 0.26 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.66 2jr3 n SER 6 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2jr3 s ARG 7 N -0.48 0.00 -0.20 -1.46 3.52 -1.26 -4.86 118.95 114.21 2jr3 s ARG 7 Ca 0.00 0.00 -0.37 0.00 -0.13 0.00 0.00 55.73 55.23 2jr3 s ARG 7 Cb 0.00 0.00 -0.14 0.00 -1.56 0.00 0.00 34.95 33.25 2jr3 s ARG 7 CO 0.00 -0.00 1.83 0.00 -0.81 0.00 0.00 175.30 176.32 2jr3 n GLY 9 N 4.38 0.40 0.00 0.00 0.00 0.11 -4.80 105.19 105.27 2jr3 n GLY 9 Ca 0.25 -0.86 0.01 0.00 0.00 0.00 0.00 46.02 45.42 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 1.55 4.24 0.00 1.61 2.88 0.71 -5.03 113.62 119.58 2jr3 n SER 10 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2jr3 n SER 10 Cb 0.34 1.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.85 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 2.40 0.34 0.15 0.46 0.00 -1.25 -4.94 105.19 102.36 2jr3 n GLY 11 Ca -0.01 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.26 3.75 -0.02 0.00 -1.26 -4.96 105.19 102.43 2jr3 n GLY 12 Ca 0.00 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.20 3.73 0.00 1.61 0.52 -1.26 -1.56 118.94 119.78 2jr3 s TRP 13 Ca 0.09 1.40 0.00 0.00 0.02 0.00 0.00 56.10 57.61 2jr3 s TRP 13 Cb 0.12 -2.75 0.00 0.00 -1.15 0.00 0.00 33.47 29.69 2jr3 s TRP 13 CO 0.53 0.31 0.00 0.41 0.02 0.00 0.00 176.95 178.22 2jr3 n GLY 14 N 2.35 -3.64 0.19 0.98 0.00 -1.26 -0.04 105.19 103.77 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 -0.37 -0.93 1.61 0.13 -1.96 0.31 132.00 130.79 2jr3 h PRO 15 Ca 0.00 0.03 0.19 0.00 -0.87 0.00 0.00 66.00 65.35 2jr3 h PRO 15 Cb 0.00 0.08 -0.29 0.00 0.13 0.00 0.00 31.00 30.93 2jr3 h PRO 15 CO 0.00 -0.02 0.51 0.00 -0.23 0.00 0.00 178.00 178.26 2jr3 s LEU 17 N 1.63 2.05 0.03 0.00 2.96 0.21 -4.98 118.68 120.58 2jr3 s LEU 17 Ca -0.05 -0.32 -0.30 0.00 -0.22 0.00 0.00 54.13 53.23 2jr3 s LEU 17 Cb -0.03 -0.84 -0.06 0.00 0.50 0.00 0.00 46.19 45.76 2jr3 s LEU 17 CO -0.14 0.19 1.43 -2.16 -1.32 0.00 0.00 176.35 174.34 2jr3 s PRO 18 N -0.49 4.28 0.66 0.98 0.04 -1.26 0.77 135.00 139.98 2jr3 s PRO 18 Ca 0.06 2.02 0.38 0.00 0.04 0.00 0.00 61.00 63.51 2jr3 s PRO 18 Cb -0.07 -3.51 2.07 0.00 0.04 0.00 0.00 34.50 33.03 2jr3 s PRO 18 CO -0.00 -0.56 2.18 0.82 0.04 0.00 0.00 177.00 179.47 2jr3 h ILE 19 N 4.78 0.04 -0.04 0.56 2.04 -1.87 -0.61 117.51 122.41 2jr3 h ILE 19 Ca -0.39 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.48 2jr3 h ILE 19 Cb 1.19 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 2jr3 h ILE 19 CO 0.90 0.00 0.07 1.62 0.00 0.00 0.00 178.15 180.74 2jr3 h VAL 20 N 0.00 0.30 -0.01 1.67 3.04 -1.90 -0.79 116.25 118.57 2jr3 h VAL 20 Ca 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 2jr3 h VAL 20 Cb 0.29 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 2jr3 h VAL 20 CO -0.00 0.00 -0.08 -0.67 -1.01 0.00 0.00 177.57 175.81 2jr3 n ASP 21 N -3.51 1.25 -4.22 3.17 2.03 -0.25 -5.05 116.55 109.97 2jr3 n ASP 21 Ca -0.02 -1.13 -0.35 0.00 0.52 0.00 0.00 54.79 53.81 2jr3 n ASP 21 Cb 0.16 0.26 0.07 0.00 -0.72 0.00 0.00 41.12 40.89 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 -0.01 -2.98 0.00 -2.67 7.94 -0.30 -4.94 117.00 114.04 2jr3 n LEU 22 Ca 0.03 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 55.26 2jr3 n LEU 22 Cb 0.16 -0.98 0.00 0.00 0.53 0.00 0.00 43.42 43.13 2jr3 n LEU 22 CO 0.07 -4.75 -0.04 -0.11 -1.11 0.00 0.00 177.39 171.45 2jr3 n LEU 23 N 1.28 0.00 -4.93 -1.96 0.00 -1.26 -5.06 117.00 105.07 2jr3 n LEU 23 Ca 0.03 -0.02 -0.20 0.00 0.00 0.00 0.00 56.01 55.81 2jr3 n LEU 23 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.95 2jr3 n LEU 23 CO 0.52 0.00 0.08 0.00 0.00 0.00 0.00 177.39 177.99 2jr3 n ILE 25 N -1.72 0.03 0.43 0.00 5.41 -1.26 -4.66 119.36 117.59 2jr3 n ILE 25 Ca 0.05 -0.01 0.05 0.00 1.00 0.00 0.00 62.75 63.84 2jr3 n ILE 25 Cb 0.61 -0.62 0.18 0.00 -0.71 0.00 0.00 39.64 39.11 2jr3 n ILE 25 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 2jr3 n VAL 26 N -2.41 0.95 -0.04 1.39 3.14 -1.26 -4.93 118.33 115.17 2jr3 n VAL 26 Ca -0.01 -0.60 -0.04 0.00 -2.96 0.00 0.00 64.34 60.73 2jr3 n VAL 26 Cb 0.51 -0.09 0.04 0.00 -1.06 0.00 0.00 33.84 33.24 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 0.44 -2.00 -4.98 1.45 1.44 -1.26 -4.82 115.22 105.49 2jr3 n HIS 27 Ca 0.13 -0.10 -0.30 0.00 -2.01 0.00 0.00 57.72 55.44 2jr3 n HIS 27 Cb 0.53 -0.20 -0.15 0.00 0.12 0.00 0.00 29.99 30.29 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 -1.05 2.17 -0.27 0.61 1.01 -0.57 -4.88 120.40 117.42 2jr3 s VAL 28 Ca 0.09 -1.32 0.19 0.00 0.00 0.00 0.00 61.98 60.95 2jr3 s VAL 28 Cb -0.02 -1.83 0.50 0.00 0.00 0.00 0.00 36.38 35.03 2jr3 s VAL 28 CO 0.08 0.41 1.12 0.35 0.00 0.00 0.00 175.10 177.06 2jr3 n THR 29 N 1.90 1.55 -4.30 3.92 -2.24 -1.26 0.04 114.28 113.89 2jr3 n THR 29 Ca -0.17 -3.24 -0.35 0.00 -2.27 0.00 0.00 64.05 58.03 2jr3 n THR 29 Cb 0.52 0.71 -0.09 0.00 -2.10 0.00 0.00 70.33 69.37 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 -3.98 4.46 0.00 2.28 1.01 -1.26 -4.38 120.40 118.53 2jr3 s VAL 30 Ca 0.33 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2jr3 s VAL 30 Cb 0.35 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.83 2jr3 s VAL 30 CO -0.02 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2jr3 n GLY 31 N 2.02 2.20 3.66 4.51 0.00 -1.26 -1.14 105.19 115.18 2jr3 n GLY 31 Ca -0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.46 6.38 -0.73 0.00 0.01 -1.26 -4.94 113.70 108.70 2jr3 s SER 33 Ca 0.58 1.17 -0.26 0.00 1.31 0.00 0.00 55.95 58.76 2jr3 s SER 33 Cb -0.04 -2.35 -0.09 0.00 0.21 0.00 0.00 66.02 63.75 2jr3 s SER 33 CO 0.37 -0.58 2.25 -0.83 0.41 0.00 0.00 173.24 174.86 2jr3 s GLY 34 N -3.68 -0.42 0.00 3.44 0.00 -1.26 -1.34 107.32 104.06 2jr3 s GLY 34 Ca 0.52 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.46 2jr3 s GLY 34 CO 0.41 3.97 0.00 0.61 0.00 0.00 0.00 173.10 178.08 2jr3 n GLY 35 N 6.54 -0.01 2.98 0.20 0.00 -1.26 -5.13 105.19 108.52 2jr3 n GLY 35 Ca 0.40 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.81 1.18 0.00 1.61 0.40 -0.45 -3.41 117.98 116.50 2jr3 s PHE 36 Ca 0.00 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 2jr3 s PHE 36 Cb 0.00 -0.89 0.00 0.00 0.51 0.00 0.00 43.02 42.64 2jr3 s PHE 36 CO 0.00 -0.22 0.00 0.41 0.70 0.00 0.00 175.22 176.11 2jr3 n GLY 37 N 3.80 4.37 3.10 4.36 0.00 0.23 -4.19 105.19 116.85 2jr3 n GLY 37 Ca -0.23 -2.15 -0.12 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.84 1.31 -0.10 0.00 5.12 -1.26 -4.02 116.66 116.87 2jr3 n ARG 40 Ca -0.05 0.27 -0.19 0.00 -1.93 0.00 0.00 57.85 55.95 2jr3 n ARG 40 Cb 0.61 -2.97 -0.10 0.00 -1.16 0.00 0.00 32.46 28.84 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 7.67 1.51 0.00 0.55 2.08 -0.60 -5.02 119.36 125.54 2jr3 n ILE 41 Ca 0.38 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.70 2jr3 n ILE 41 Cb 0.39 -2.11 0.00 0.00 -0.75 0.00 0.00 39.64 37.17 2jr3 n ILE 41 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72