#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 -0.31 0.80 -2.24 -4.77 -1.26 -5.17 116.67 103.72 2jr3 s ASP 2 Ca 0.00 0.59 -0.11 0.00 -3.30 0.00 0.00 52.55 49.73 2jr3 s ASP 2 Cb 0.00 0.63 0.07 0.00 -1.09 0.00 0.00 42.92 42.53 2jr3 s ASP 2 CO 0.00 -0.10 1.11 0.42 0.70 0.00 0.00 175.17 177.30 2jr3 s THR 3 N 0.22 2.99 0.03 2.11 -4.23 -1.26 -5.04 115.64 110.46 2jr3 s THR 3 Ca 0.04 0.33 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 2jr3 s THR 3 Cb -0.05 -2.71 0.01 0.00 1.34 0.00 0.00 72.50 71.09 2jr3 s THR 3 CO -0.10 -0.41 0.03 -0.81 -0.54 0.00 0.00 174.62 172.79 2jr3 n PRO 4 N -3.62 -1.08 -1.15 3.99 -0.04 -1.26 -4.83 135.00 127.01 2jr3 n PRO 4 Ca 0.10 -0.04 -0.33 0.00 -0.04 0.00 0.00 63.50 63.18 2jr3 n PRO 4 Cb 0.53 -0.04 -0.04 0.00 -0.04 0.00 0.00 33.50 33.91 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 -3.05 7.62 -4.69 3.54 2.88 -1.26 -4.88 113.62 113.78 2jr3 n SER 5 Ca 0.00 -2.50 -0.25 0.00 -1.33 0.00 0.00 58.87 54.79 2jr3 n SER 5 Cb 0.01 -1.43 -0.07 0.00 -0.75 0.00 0.00 64.21 61.97 2jr3 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jr3 s SER 6 N 2.45 4.86 -0.05 -3.46 0.01 -1.26 -5.06 113.70 111.19 2jr3 s SER 6 Ca 0.62 -0.40 -0.17 0.00 1.31 0.00 0.00 55.95 57.31 2jr3 s SER 6 Cb 0.17 -1.06 0.03 0.00 0.21 0.00 0.00 66.02 65.38 2jr3 s SER 6 CO -0.05 0.06 0.38 -0.60 0.41 0.00 0.00 173.24 173.44 2jr3 s ARG 7 N -3.17 0.67 -0.15 12.44 3.52 -1.26 -4.79 118.95 126.21 2jr3 s ARG 7 Ca 0.29 0.06 -0.38 0.00 -0.13 0.00 0.00 55.73 55.57 2jr3 s ARG 7 Cb -0.09 0.31 -0.15 0.00 -1.56 0.00 0.00 34.95 33.47 2jr3 s ARG 7 CO 0.20 -0.17 1.71 0.00 -0.81 0.00 0.00 175.30 176.23 2jr3 n GLY 9 N 3.96 0.52 0.01 0.00 0.00 0.10 -4.80 105.19 104.98 2jr3 n GLY 9 Ca 0.24 -0.89 -0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 1.46 4.53 0.00 1.61 2.88 0.93 -5.02 113.62 120.02 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 0.21 0.77 0.00 0.00 -0.75 0.00 0.00 64.21 64.45 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 2.68 2.03 0.18 0.46 0.00 -1.24 -4.92 105.19 104.38 2jr3 n GLY 11 Ca -0.02 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.47 3.75 -0.02 0.00 -1.26 -4.94 105.19 102.25 2jr3 n GLY 12 Ca 0.00 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.59 3.73 0.00 1.61 0.52 -1.26 -1.61 118.94 119.34 2jr3 s TRP 13 Ca 0.11 1.39 0.00 0.00 0.02 0.00 0.00 56.10 57.62 2jr3 s TRP 13 Cb 0.15 -2.75 0.00 0.00 -1.15 0.00 0.00 33.47 29.73 2jr3 s TRP 13 CO 0.67 0.32 0.00 0.41 0.02 0.00 0.00 176.95 178.37 2jr3 n GLY 14 N 2.35 -3.63 0.21 0.98 0.00 -1.26 -0.14 105.19 103.70 2jr3 n GLY 14 Ca -0.04 -1.20 -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 -0.42 -1.05 1.61 0.13 -1.95 0.29 132.00 130.61 2jr3 h PRO 15 Ca 0.00 0.03 0.18 0.00 -0.87 0.00 0.00 66.00 65.33 2jr3 h PRO 15 Cb 0.00 0.10 -0.28 0.00 0.13 0.00 0.00 31.00 30.95 2jr3 h PRO 15 CO 0.00 -0.10 0.45 0.00 -0.23 0.00 0.00 178.00 178.12 2jr3 s LEU 17 N 1.68 2.05 0.03 0.00 2.96 0.21 -4.98 118.68 120.64 2jr3 s LEU 17 Ca -0.06 -0.32 -0.30 0.00 -0.22 0.00 0.00 54.13 53.23 2jr3 s LEU 17 Cb -0.03 -0.83 -0.06 0.00 0.50 0.00 0.00 46.19 45.76 2jr3 s LEU 17 CO -0.15 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 0.67 0.98 0.04 -1.26 0.73 135.00 139.95 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 -3.51 2.17 0.00 0.04 0.00 0.00 34.50 33.13 2jr3 s PRO 18 CO -0.00 -0.56 2.22 0.82 0.04 0.00 0.00 177.00 179.52 2jr3 h ILE 19 N 4.78 0.00 -0.04 0.56 2.04 -1.87 -0.86 117.51 122.12 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 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2jr3 h ILE 19 CO 0.90 0.00 0.08 1.62 0.00 0.00 0.00 178.15 180.75 2jr3 h VAL 20 N 0.00 0.30 -0.01 1.67 3.04 -1.90 -0.77 116.25 118.58 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 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 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 -0.08 -0.34 -5.05 116.55 107.77 2jr3 n ASP 21 Ca -0.02 -1.12 -0.35 0.00 -1.51 0.00 0.00 54.79 51.79 2jr3 n ASP 21 Cb 0.16 0.27 0.07 0.00 2.34 0.00 0.00 41.12 43.96 2jr3 n ASP 21 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2jr3 n LEU 22 N -0.01 -3.04 0.00 -2.67 7.94 -0.30 -4.94 117.00 113.98 2jr3 n LEU 22 Ca 0.03 0.33 0.00 0.00 -1.11 0.00 0.00 56.01 55.26 2jr3 n LEU 22 Cb 0.16 -0.97 0.00 0.00 0.53 0.00 0.00 43.42 43.13 2jr3 n LEU 22 CO 0.07 -4.77 -0.03 -0.11 -1.11 0.00 0.00 177.39 171.44 2jr3 n LEU 23 N 1.35 0.00 -4.97 -1.96 0.00 -1.26 -5.07 117.00 105.09 2jr3 n LEU 23 Ca 0.03 -0.03 -0.22 0.00 0.00 0.00 0.00 56.01 55.80 2jr3 n LEU 23 Cb 0.54 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.98 2jr3 n LEU 23 CO 0.52 0.00 0.19 0.00 0.00 0.00 0.00 177.39 178.10 2jr3 n ILE 25 N -1.96 0.00 0.40 0.00 2.08 -1.26 -4.71 119.36 113.91 2jr3 n ILE 25 Ca 0.08 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.44 2jr3 n ILE 25 Cb 0.62 -0.44 0.19 0.00 -0.75 0.00 0.00 39.64 39.26 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 -2.18 0.98 -0.05 1.39 3.14 -1.26 -4.93 118.33 115.42 2jr3 n VAL 26 Ca 0.00 -0.61 -0.04 0.00 -2.96 0.00 0.00 64.34 60.73 2jr3 n VAL 26 Cb 0.39 -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 -1.99 -4.91 1.45 1.44 -1.26 -4.98 115.22 105.43 2jr3 n HIS 27 Ca 0.13 -0.10 -0.31 0.00 -2.01 0.00 0.00 57.72 55.44 2jr3 n HIS 27 Cb 0.54 -0.20 -0.14 0.00 0.12 0.00 0.00 29.99 30.30 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 2.32 -0.27 0.61 1.01 -0.55 -5.00 120.40 117.47 2jr3 s VAL 28 Ca 0.09 -1.27 0.19 0.00 0.00 0.00 0.00 61.98 60.99 2jr3 s VAL 28 Cb -0.02 -1.91 0.50 0.00 0.00 0.00 0.00 36.38 34.95 2jr3 s VAL 28 CO 0.08 0.40 1.12 0.35 0.00 0.00 0.00 175.10 177.05 2jr3 n THR 29 N 1.85 1.54 -4.27 3.92 -2.24 -1.26 0.09 114.28 113.91 2jr3 n THR 29 Ca -0.17 -3.23 -0.35 0.00 -2.27 0.00 0.00 64.05 58.04 2jr3 n THR 29 Cb 0.52 0.73 -0.09 0.00 -2.10 0.00 0.00 70.33 69.39 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 4.49 0.00 2.28 1.01 -1.26 -4.38 120.40 118.57 2jr3 s VAL 30 Ca 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2jr3 s VAL 30 Cb 0.35 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.79 2jr3 s VAL 30 CO -0.02 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2jr3 n GLY 31 N 1.89 2.31 3.89 4.51 0.00 -1.26 -1.76 105.19 114.77 2jr3 n GLY 31 Ca -0.17 0.00 -0.20 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 -4.66 6.35 -0.74 0.00 0.15 -1.26 -4.94 113.70 108.59 2jr3 s SER 33 Ca 0.62 1.13 -0.26 0.00 0.70 0.00 0.00 55.95 58.14 2jr3 s SER 33 Cb -0.05 -2.33 -0.09 0.00 -1.71 0.00 0.00 66.02 61.84 2jr3 s SER 33 CO 0.39 -0.59 2.25 -0.83 1.20 0.00 0.00 173.24 175.66 2jr3 s GLY 34 N -3.80 -0.42 0.00 9.45 0.00 -1.26 -1.37 107.32 109.92 2jr3 s GLY 34 Ca 0.51 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 44.44 2jr3 s GLY 34 CO 0.42 3.96 0.00 0.61 0.00 0.00 0.00 173.10 178.10 2jr3 n GLY 35 N 6.55 -0.00 2.98 0.20 0.00 -1.26 -5.13 105.19 108.54 2jr3 n GLY 35 Ca 0.41 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 -0.73 1.20 0.00 1.61 0.40 -0.47 -3.37 117.98 116.61 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 3.86 4.42 3.08 4.36 0.00 0.22 -4.19 105.19 116.95 2jr3 n GLY 37 Ca -0.24 -2.14 -0.12 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.90 1.54 -0.11 0.00 5.12 -1.26 -4.00 116.66 117.06 2jr3 n ARG 40 Ca -0.05 0.37 -0.20 0.00 -1.93 0.00 0.00 57.85 56.04 2jr3 n ARG 40 Cb 0.61 -3.06 -0.09 0.00 -1.16 0.00 0.00 32.46 28.75 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 7.68 1.51 -0.68 0.55 5.41 -0.63 -5.02 119.36 128.18 2jr3 n ILE 41 Ca 0.35 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 64.05 2jr3 n ILE 41 Cb 0.41 -2.08 0.00 0.00 -0.71 0.00 0.00 39.64 37.25 2jr3 n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16