#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 0.66 -4.91 -2.24 5.68 -1.26 -5.12 116.55 109.36 2jr3 n ASP 2 Ca 0.00 -2.81 -0.27 0.00 -0.50 0.00 0.00 54.79 51.21 2jr3 n ASP 2 Cb 0.00 -0.23 -0.01 0.00 -1.14 0.00 0.00 41.12 39.75 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 -2.35 4.95 0.24 2.12 -4.23 -1.26 -5.10 115.64 110.01 2jr3 s THR 3 Ca 0.29 0.07 -0.04 0.00 -1.18 0.00 0.00 61.69 60.84 2jr3 s THR 3 Cb 0.42 -3.85 0.06 0.00 1.34 0.00 0.00 72.50 70.46 2jr3 s THR 3 CO -0.01 -0.75 0.21 -0.81 -0.54 0.00 0.00 174.62 172.71 2jr3 n PRO 4 N -2.06 -1.43 -1.43 3.99 -0.04 -1.26 -4.85 135.00 127.92 2jr3 n PRO 4 Ca -0.01 -0.33 -0.39 0.00 -0.04 0.00 0.00 63.50 62.73 2jr3 n PRO 4 Cb 0.55 -0.31 -0.02 0.00 -0.04 0.00 0.00 33.50 33.68 2jr3 n PRO 4 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2jr3 n SER 5 N -3.36 6.12 -1.31 3.54 3.41 -1.26 -4.88 113.62 115.89 2jr3 n SER 5 Ca 0.03 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 2jr3 n SER 5 Cb 0.11 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.52 2jr3 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jr3 n SER 6 N 4.89 0.34 -3.63 4.04 7.64 -1.26 -5.14 113.62 120.50 2jr3 n SER 6 Ca 0.64 -0.65 -0.03 0.00 1.01 0.00 0.00 58.87 59.83 2jr3 n SER 6 Cb 0.30 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.46 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 -0.39 0.15 -0.05 1.43 3.52 -1.26 -4.85 118.95 117.50 2jr3 s ARG 7 Ca 0.00 0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 55.33 2jr3 s ARG 7 Cb 0.00 0.07 -0.07 0.00 -1.56 0.00 0.00 34.95 33.39 2jr3 s ARG 7 CO 0.00 -0.05 1.99 0.00 -0.81 0.00 0.00 175.30 176.43 2jr3 n GLY 9 N 4.83 0.31 0.00 0.00 0.00 0.10 -4.80 105.19 105.63 2jr3 n GLY 9 Ca 0.22 -0.83 0.01 0.00 0.00 0.00 0.00 46.02 45.41 2jr3 n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jr3 n SER 10 N 1.72 2.20 0.00 1.61 7.64 -0.62 -5.02 113.62 121.15 2jr3 n SER 10 Ca -0.02 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.58 2jr3 n SER 10 Cb 0.50 1.03 0.00 0.00 -1.01 0.00 0.00 64.21 64.73 2jr3 n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jr3 n GLY 11 N 1.68 -0.85 0.10 0.23 0.00 -1.26 -4.95 105.19 100.14 2jr3 n GLY 11 Ca 0.00 0.42 0.05 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.08 -0.02 3.76 -0.02 0.00 -1.26 -4.96 105.19 102.60 2jr3 n GLY 12 Ca 0.00 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.72 3.75 0.02 1.61 0.52 -1.26 -2.05 118.94 119.80 2jr3 s TRP 13 Ca 0.06 1.41 -0.00 0.00 0.02 0.00 0.00 56.10 57.58 2jr3 s TRP 13 Cb 0.08 -2.74 0.01 0.00 -1.15 0.00 0.00 33.47 29.66 2jr3 s TRP 13 CO 0.35 0.34 0.01 0.41 0.02 0.00 0.00 176.95 178.08 2jr3 n GLY 14 N 2.28 -3.60 0.15 0.98 0.00 -1.26 -0.06 105.19 103.68 2jr3 n GLY 14 Ca -0.04 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.26 -0.67 1.61 0.13 -1.95 0.29 132.00 131.15 2jr3 h PRO 15 Ca -0.01 0.02 0.22 0.00 -0.87 0.00 0.00 66.00 65.37 2jr3 h PRO 15 Cb 0.02 0.06 -0.30 0.00 0.13 0.00 0.00 31.00 30.91 2jr3 h PRO 15 CO 0.00 0.13 0.62 0.00 -0.23 0.00 0.00 178.00 178.53 2jr3 s LEU 17 N 1.55 2.05 0.03 0.00 2.96 0.19 -4.98 118.68 120.47 2jr3 s LEU 17 Ca -0.04 -0.34 -0.30 0.00 -0.22 0.00 0.00 54.13 53.23 2jr3 s LEU 17 Cb -0.02 -0.91 -0.06 0.00 0.50 0.00 0.00 46.19 45.70 2jr3 s LEU 17 CO -0.13 0.21 1.43 -2.16 -1.32 0.00 0.00 176.35 174.38 2jr3 s PRO 18 N -0.49 4.28 0.67 0.98 0.04 -1.26 0.84 135.00 140.06 2jr3 s PRO 18 Ca 0.07 2.02 0.40 0.00 0.04 0.00 0.00 61.00 63.53 2jr3 s PRO 18 Cb -0.07 -3.52 2.15 0.00 0.04 0.00 0.00 34.50 33.10 2jr3 s PRO 18 CO -0.00 -0.57 2.22 0.82 0.04 0.00 0.00 177.00 179.50 2jr3 h ILE 19 N 4.80 0.01 -0.06 0.56 2.04 -1.87 -0.82 117.51 122.18 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 1.19 0.88 -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 0.00 178.15 180.76 2jr3 h VAL 20 N 0.00 0.31 -0.01 1.67 3.04 -1.90 -0.67 116.25 118.70 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 0.24 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 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 -3.53 1.24 -4.26 3.17 2.03 -0.32 -5.05 116.55 109.83 2jr3 n ASP 21 Ca -0.01 -1.12 -0.36 0.00 0.52 0.00 0.00 54.79 53.82 2jr3 n ASP 21 Cb 0.18 0.27 0.06 0.00 -0.72 0.00 0.00 41.12 40.92 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 -2.49 0.00 -2.67 7.94 -0.26 -4.94 117.00 114.56 2jr3 n LEU 22 Ca 0.03 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 2jr3 n LEU 22 Cb 0.16 -1.00 0.00 0.00 0.53 0.00 0.00 43.42 43.11 2jr3 n LEU 22 CO 0.07 -4.51 -0.03 -0.11 -1.11 0.00 0.00 177.39 171.69 2jr3 n LEU 23 N 1.24 0.00 -5.00 -1.96 0.00 -1.26 -5.06 117.00 104.96 2jr3 n LEU 23 Ca 0.05 -0.02 -0.20 0.00 0.00 0.00 0.00 56.01 55.84 2jr3 n LEU 23 Cb 0.52 0.00 0.04 0.00 0.00 0.00 0.00 43.42 43.98 2jr3 n LEU 23 CO 0.52 0.00 0.25 0.00 0.00 0.00 0.00 177.39 178.16 2jr3 n ILE 25 N -2.06 0.00 0.40 0.00 5.41 -1.26 -4.71 119.36 117.14 2jr3 n ILE 25 Ca 0.11 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.91 2jr3 n ILE 25 Cb 0.61 -0.50 0.19 0.00 -0.71 0.00 0.00 39.64 39.24 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 -2.06 0.98 -0.05 1.39 3.14 -1.26 -4.68 118.33 115.80 2jr3 n VAL 26 Ca 0.00 -0.61 -0.04 0.00 -2.96 0.00 0.00 64.34 60.72 2jr3 n VAL 26 Cb 0.38 -0.08 0.04 0.00 -1.06 0.00 0.00 33.84 33.12 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 0.46 -2.02 -5.00 1.45 1.44 -1.26 -4.82 115.22 105.46 2jr3 n HIS 27 Ca 0.13 -0.10 -0.29 0.00 -2.01 0.00 0.00 57.72 55.45 2jr3 n HIS 27 Cb 0.54 -0.21 -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 -1.07 1.98 -0.30 0.61 1.01 0.14 -4.89 120.40 117.89 2jr3 s VAL 28 Ca 0.10 -1.21 0.17 0.00 0.00 0.00 0.00 61.98 61.03 2jr3 s VAL 28 Cb -0.02 -1.67 0.48 0.00 0.00 0.00 0.00 36.38 35.17 2jr3 s VAL 28 CO 0.08 0.42 1.09 0.35 0.00 0.00 0.00 175.10 177.04 2jr3 n THR 29 N 2.09 1.56 -4.58 3.92 -2.24 -1.26 0.28 114.28 114.05 2jr3 n THR 29 Ca -0.16 -3.39 -0.34 0.00 -2.27 0.00 0.00 64.05 57.89 2jr3 n THR 29 Cb 0.52 0.45 -0.11 0.00 -2.10 0.00 0.00 70.33 69.09 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 -3.97 3.78 0.00 2.28 1.01 -1.26 -4.46 120.40 117.78 2jr3 s VAL 30 Ca 0.34 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2jr3 s VAL 30 Cb 0.38 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 34.20 2jr3 s VAL 30 CO -0.02 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2jr3 n GLY 31 N 2.36 2.10 3.54 4.51 0.00 -1.26 -0.67 105.19 115.77 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 -4.41 6.34 -0.75 0.00 0.01 -1.26 -4.94 113.70 108.69 2jr3 s SER 33 Ca 0.57 1.16 -0.26 0.00 1.31 0.00 0.00 55.95 58.73 2jr3 s SER 33 Cb -0.04 -2.35 -0.09 0.00 0.21 0.00 0.00 66.02 63.76 2jr3 s SER 33 CO 0.37 -0.62 2.22 -0.83 0.41 0.00 0.00 173.24 174.79 2jr3 s GLY 34 N -3.83 -0.37 0.00 3.44 0.00 -1.26 -1.37 107.32 103.93 2jr3 s GLY 34 Ca 0.51 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 44.40 2jr3 s GLY 34 CO 0.43 3.92 0.00 0.61 0.00 0.00 0.00 173.10 178.06 2jr3 n GLY 35 N 6.56 -0.05 2.98 0.20 0.00 -1.26 -5.13 105.19 108.50 2jr3 n GLY 35 Ca 0.40 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.92 1.19 0.00 1.61 0.40 -0.47 -3.26 117.98 116.52 2jr3 s PHE 36 Ca 0.00 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 2jr3 s PHE 36 Cb 0.00 -0.91 0.00 0.00 0.51 0.00 0.00 43.02 42.62 2jr3 s PHE 36 CO 0.00 -0.23 0.00 0.41 0.70 0.00 0.00 175.22 176.10 2jr3 n GLY 37 N 3.82 4.41 3.21 4.36 0.00 0.25 -4.19 105.19 117.05 2jr3 n GLY 37 Ca -0.23 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.50 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 -3.73 3.96 -0.13 0.00 1.81 -1.26 -4.01 118.95 115.59 2jr3 s ARG 40 Ca 0.36 2.47 -0.08 0.00 -1.72 0.00 0.00 55.73 56.75 2jr3 s ARG 40 Cb 0.03 -4.18 -0.06 0.00 -0.45 0.00 0.00 34.95 30.29 2jr3 s ARG 40 CO 0.19 -1.15 -0.20 -0.89 -0.68 0.00 0.00 175.30 172.57 2jr3 n ILE 41 N 5.94 0.95 -1.60 1.52 5.41 -0.87 -5.03 119.36 125.68 2jr3 n ILE 41 Ca 0.21 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.85 2jr3 n ILE 41 Cb 0.42 -1.77 0.00 0.00 -0.71 0.00 0.00 39.64 37.58 2jr3 n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16