#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 0.71 -4.45 -2.24 9.92 -1.26 -5.11 116.55 114.11 2jr3 n ASP 2 Ca 0.00 -2.95 -0.24 0.00 -0.53 0.00 0.00 54.79 51.07 2jr3 n ASP 2 Cb 0.00 -0.37 -0.10 0.00 -0.64 0.00 0.00 41.12 40.01 2jr3 n ASP 2 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2jr3 s THR 3 N -2.37 2.40 0.11 -3.53 -4.23 -1.26 -5.12 115.64 101.64 2jr3 s THR 3 Ca 0.35 -2.37 -0.02 0.00 -1.18 0.00 0.00 61.69 58.47 2jr3 s THR 3 Cb 0.38 -2.26 0.03 0.00 1.34 0.00 0.00 72.50 71.99 2jr3 s THR 3 CO -0.04 -0.40 0.10 -0.81 -0.54 0.00 0.00 174.62 172.92 2jr3 n PRO 4 N -0.54 -1.21 -1.41 3.99 -0.04 -1.26 -4.84 135.00 129.69 2jr3 n PRO 4 Ca -0.06 -0.16 -0.40 0.00 -0.04 0.00 0.00 63.50 62.85 2jr3 n PRO 4 Cb 0.60 -0.15 -0.02 0.00 -0.04 0.00 0.00 33.50 33.89 2jr3 n PRO 4 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2jr3 n SER 5 N -3.17 4.71 -1.35 3.54 7.64 -1.26 -4.88 113.62 118.85 2jr3 n SER 5 Ca 0.01 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.20 2jr3 n SER 5 Cb 0.05 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.79 2jr3 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jr3 n SER 6 N 5.67 0.00 -3.63 6.43 7.64 -1.26 -5.15 113.62 123.32 2jr3 n SER 6 Ca 0.56 -0.67 -0.04 0.00 1.01 0.00 0.00 58.87 59.74 2jr3 n SER 6 Cb 0.33 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.49 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 -0.36 0.16 0.06 1.43 3.52 -1.26 -4.87 118.95 117.63 2jr3 s ARG 7 Ca 0.00 0.04 -0.31 0.00 -0.13 0.00 0.00 55.73 55.33 2jr3 s ARG 7 Cb 0.00 0.07 -0.10 0.00 -1.56 0.00 0.00 34.95 33.37 2jr3 s ARG 7 CO 0.00 -0.05 1.92 0.00 -0.81 0.00 0.00 175.30 176.36 2jr3 n GLY 9 N 4.43 0.14 0.00 0.00 0.00 0.98 -4.84 105.19 105.90 2jr3 n GLY 9 Ca 0.19 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.62 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 0.70 2.60 0.00 1.61 2.88 -0.55 -5.01 113.62 115.85 2jr3 n SER 10 Ca -0.08 -0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 2jr3 n SER 10 Cb 0.54 1.07 0.00 0.00 -0.75 0.00 0.00 64.21 65.08 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 1.81 -0.75 0.10 0.46 0.00 -1.26 -4.95 105.19 100.60 2jr3 n GLY 11 Ca -0.00 0.42 0.06 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.01 -0.18 3.75 -0.02 0.00 -1.26 -4.97 105.19 102.50 2jr3 n GLY 12 Ca 0.00 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.04 3.71 0.07 1.61 0.52 -1.26 -2.21 118.94 119.34 2jr3 s TRP 13 Ca 0.07 1.38 -0.01 0.00 0.02 0.00 0.00 56.10 57.56 2jr3 s TRP 13 Cb 0.10 -2.75 0.02 0.00 -1.15 0.00 0.00 33.47 29.69 2jr3 s TRP 13 CO 0.47 0.29 0.04 0.41 0.02 0.00 0.00 176.95 178.18 2jr3 n GLY 14 N 2.43 -3.67 0.17 0.98 0.00 -1.26 -0.05 105.19 103.78 2jr3 n GLY 14 Ca -0.04 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.31 -0.79 1.61 0.13 -1.95 0.28 132.00 130.97 2jr3 h PRO 15 Ca -0.02 0.02 0.20 0.00 -0.87 0.00 0.00 66.00 65.34 2jr3 h PRO 15 Cb 0.06 0.07 -0.28 0.00 0.13 0.00 0.00 31.00 30.98 2jr3 h PRO 15 CO 0.01 0.06 0.50 0.00 -0.23 0.00 0.00 178.00 178.34 2jr3 s LEU 17 N 1.76 2.04 0.02 0.00 2.96 0.14 -4.97 118.68 120.63 2jr3 s LEU 17 Ca -0.04 -0.31 -0.30 0.00 -0.22 0.00 0.00 54.13 53.25 2jr3 s LEU 17 Cb -0.03 -0.86 -0.06 0.00 0.50 0.00 0.00 46.19 45.75 2jr3 s LEU 17 CO -0.15 0.20 1.44 -2.16 -1.32 0.00 0.00 176.35 174.36 2jr3 s PRO 18 N -0.44 4.27 0.67 0.98 0.04 -1.26 0.88 135.00 140.14 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 -3.55 2.19 0.00 0.04 0.00 0.00 34.50 33.11 2jr3 s PRO 18 CO -0.01 -0.59 2.23 0.82 0.04 0.00 0.00 177.00 179.50 2jr3 h ILE 19 N 4.84 0.00 -0.07 0.56 2.04 -1.86 -0.92 117.51 122.10 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 38.15 2jr3 h ILE 19 CO 0.90 0.00 0.10 1.62 0.00 0.00 0.00 178.15 180.77 2jr3 h VAL 20 N 0.00 0.37 -0.01 1.67 3.04 -1.90 -0.59 116.25 118.83 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 0.21 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 2jr3 h VAL 20 CO 0.00 0.00 -0.13 -0.67 -1.01 0.00 0.00 177.57 175.76 2jr3 n ASP 21 N -3.62 1.27 -4.28 3.17 2.03 -0.36 -5.05 116.55 109.72 2jr3 n ASP 21 Ca -0.01 -1.14 -0.36 0.00 0.52 0.00 0.00 54.79 53.80 2jr3 n ASP 21 Cb 0.19 0.35 0.06 0.00 -0.72 0.00 0.00 41.12 41.00 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 -0.08 -2.20 0.00 -2.67 7.94 -0.23 -4.93 117.00 114.82 2jr3 n LEU 22 Ca 0.04 0.42 0.00 0.00 -1.11 0.00 0.00 56.01 55.36 2jr3 n LEU 22 Cb 0.19 -1.02 0.00 0.00 0.53 0.00 0.00 43.42 43.12 2jr3 n LEU 22 CO 0.09 -4.38 -0.03 -0.11 -1.11 0.00 0.00 177.39 171.84 2jr3 n LEU 23 N 1.08 0.00 -5.02 -1.96 0.00 -1.26 -5.06 117.00 104.77 2jr3 n LEU 23 Ca 0.05 -0.02 -0.19 0.00 0.00 0.00 0.00 56.01 55.85 2jr3 n LEU 23 Cb 0.52 0.00 0.04 0.00 0.00 0.00 0.00 43.42 43.99 2jr3 n LEU 23 CO 0.52 0.00 0.28 0.00 0.00 0.00 0.00 177.39 178.19 2jr3 n ILE 25 N -2.12 0.00 0.44 0.00 5.41 -1.26 -4.71 119.36 117.13 2jr3 n ILE 25 Ca 0.13 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.93 2jr3 n ILE 25 Cb 0.61 -0.55 0.18 0.00 -0.71 0.00 0.00 39.64 39.18 2jr3 n ILE 25 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2jr3 n VAL 26 N -1.94 0.93 -0.07 1.39 0.31 -1.26 -4.44 118.33 113.26 2jr3 n VAL 26 Ca 0.00 -0.59 -0.06 0.00 -0.01 0.00 0.00 64.34 63.67 2jr3 n VAL 26 Cb 0.37 -0.07 0.06 0.00 -0.91 0.00 0.00 33.84 33.29 2jr3 n VAL 26 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jr3 n HIS 27 N 0.44 -2.12 -4.89 3.52 1.44 -1.26 -4.80 115.22 107.55 2jr3 n HIS 27 Ca 0.13 -0.15 -0.26 0.00 -2.01 0.00 0.00 57.72 55.44 2jr3 n HIS 27 Cb 0.52 -0.31 -0.15 0.00 0.12 0.00 0.00 29.99 30.16 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 -1.15 1.53 -0.32 0.61 1.01 0.01 -4.90 120.40 117.19 2jr3 s VAL 28 Ca 0.14 -0.87 0.14 0.00 0.00 0.00 0.00 61.98 61.39 2jr3 s VAL 28 Cb -0.02 -1.28 0.47 0.00 0.00 0.00 0.00 36.38 35.54 2jr3 s VAL 28 CO 0.12 0.39 1.08 0.35 0.00 0.00 0.00 175.10 177.04 2jr3 n THR 29 N 2.50 1.69 -4.67 3.92 -2.24 -1.26 0.22 114.28 114.44 2jr3 n THR 29 Ca -0.15 -3.65 -0.34 0.00 -2.27 0.00 0.00 64.05 57.64 2jr3 n THR 29 Cb 0.53 0.08 -0.12 0.00 -2.10 0.00 0.00 70.33 68.72 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 -4.14 3.57 0.00 2.28 1.01 -1.26 -4.48 120.40 117.38 2jr3 s VAL 30 Ca 0.36 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2jr3 s VAL 30 Cb 0.40 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 34.32 2jr3 s VAL 30 CO -0.03 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2jr3 n GLY 31 N 2.40 2.03 3.28 4.51 0.00 -1.26 -0.20 105.19 115.94 2jr3 n GLY 31 Ca -0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.03 6.74 -0.42 0.00 0.01 -1.26 -4.96 113.70 109.78 2jr3 s SER 33 Ca 0.51 1.18 -0.29 0.00 1.31 0.00 0.00 55.95 58.66 2jr3 s SER 33 Cb -0.04 -2.33 -0.08 0.00 0.21 0.00 0.00 66.02 63.77 2jr3 s SER 33 CO 0.33 -0.15 2.34 0.61 0.41 0.00 0.00 173.24 176.77 2jr3 n GLY 34 N -0.24 0.46 0.00 3.44 0.00 -1.26 -0.91 105.19 106.68 2jr3 n GLY 34 Ca 0.02 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 6.09 1.13 2.97 -0.02 0.00 -1.26 -5.11 105.19 108.99 2jr3 n GLY 35 Ca 0.38 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 -1.85 1.19 0.05 1.61 0.40 -0.09 -3.26 117.98 116.03 2jr3 s PHE 36 Ca 0.00 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 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 -0.25 0.00 0.41 0.70 0.00 0.00 175.22 176.08 2jr3 n GLY 37 N 3.94 4.12 3.04 4.36 0.00 0.25 -4.21 105.19 116.69 2jr3 n GLY 37 Ca -0.23 -2.18 -0.12 0.00 0.00 0.00 0.00 46.02 43.49 2jr3 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jr3 s ARG 40 N -3.77 2.87 -0.23 0.00 1.81 -1.26 -3.99 118.95 114.38 2jr3 s ARG 40 Ca 0.37 1.45 -0.17 0.00 -1.72 0.00 0.00 55.73 55.66 2jr3 s ARG 40 Cb 0.03 -4.37 -0.13 0.00 -0.45 0.00 0.00 34.95 30.03 2jr3 s ARG 40 CO 0.20 -2.41 -0.14 -0.89 -0.68 0.00 0.00 175.30 171.38 2jr3 n ILE 41 N 7.61 1.52 -1.62 1.52 5.41 -0.94 -5.04 119.36 127.82 2jr3 n ILE 41 Ca 0.28 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.88 2jr3 n ILE 41 Cb 0.49 -2.04 0.00 0.00 -0.71 0.00 0.00 39.64 37.39 2jr3 n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16