#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 -7.63 -3.98 -2.24 9.92 -1.26 -4.77 116.55 106.59 2jr3 n ASP 2 Ca 0.00 -0.02 -0.11 0.00 -0.53 0.00 0.00 54.79 54.13 2jr3 n ASP 2 Cb 0.00 -5.07 -0.12 0.00 -0.64 0.00 0.00 41.12 35.29 2jr3 n ASP 2 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2jr3 s THR 3 N -2.91 0.21 0.37 -3.53 -1.32 -1.26 -5.02 115.64 102.18 2jr3 s THR 3 Ca 0.05 -0.72 -0.06 0.00 -1.21 0.00 0.00 61.69 59.75 2jr3 s THR 3 Cb -0.01 -0.30 0.09 0.00 -1.51 0.00 0.00 72.50 70.77 2jr3 s THR 3 CO 0.76 -0.33 0.33 -0.81 -2.21 0.00 0.00 174.62 172.36 2jr3 n PRO 4 N 1.96 -1.66 -1.62 7.08 -0.04 -1.26 -4.86 135.00 134.60 2jr3 n PRO 4 Ca -0.21 -0.53 -0.41 0.00 -0.04 0.00 0.00 63.50 62.32 2jr3 n PRO 4 Cb 0.56 -0.49 -0.01 0.00 -0.04 0.00 0.00 33.50 33.52 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 -3.56 5.95 -1.41 3.54 7.64 -1.26 -4.89 113.62 119.63 2jr3 n SER 5 Ca 0.05 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.16 2jr3 n SER 5 Cb 0.18 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 61.78 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 4.85 0.63 -3.65 6.43 7.64 -1.26 -5.14 113.62 123.12 2jr3 n SER 6 Ca 0.62 -0.71 -0.03 0.00 1.01 0.00 0.00 58.87 59.77 2jr3 n SER 6 Cb 0.32 0.00 -0.06 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 -0.71 0.07 -0.11 1.43 3.52 -1.26 -4.88 118.95 117.00 2jr3 s ARG 7 Ca 0.00 0.06 -0.37 0.00 -0.13 0.00 0.00 55.73 55.29 2jr3 s ARG 7 Cb 0.00 0.03 -0.14 0.00 -1.56 0.00 0.00 34.95 33.28 2jr3 s ARG 7 CO 0.00 -0.01 1.74 0.00 -0.81 0.00 0.00 175.30 176.22 2jr3 n GLY 9 N 4.01 0.00 0.00 0.00 0.00 0.11 -4.85 105.19 104.45 2jr3 n GLY 9 Ca 0.23 -0.48 0.01 0.00 0.00 0.00 0.00 46.02 45.78 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 0.18 2.07 0.00 1.61 2.88 0.32 -5.01 113.62 115.67 2jr3 n SER 10 Ca -0.10 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 2jr3 n SER 10 Cb 0.58 1.05 0.00 0.00 -0.75 0.00 0.00 64.21 65.09 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 1.65 -1.04 0.09 0.46 0.00 -1.26 -4.93 105.19 100.16 2jr3 n GLY 11 Ca 0.00 0.45 0.05 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.20 -0.04 3.75 -0.02 0.00 -1.26 -4.95 105.19 102.47 2jr3 n GLY 12 Ca 0.00 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.79 3.71 0.06 1.61 0.52 -1.26 -1.45 118.94 120.34 2jr3 s TRP 13 Ca 0.06 1.37 -0.01 0.00 0.02 0.00 0.00 56.10 57.54 2jr3 s TRP 13 Cb 0.08 -2.74 0.02 0.00 -1.15 0.00 0.00 33.47 29.67 2jr3 s TRP 13 CO 0.37 0.30 0.04 0.41 0.02 0.00 0.00 176.95 178.09 2jr3 n GLY 14 N 2.43 -3.66 0.17 0.98 0.00 -1.26 0.04 105.19 103.89 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 -0.31 -0.85 1.61 0.13 -1.95 0.27 132.00 130.89 2jr3 h PRO 15 Ca -0.02 0.02 0.20 0.00 -0.87 0.00 0.00 66.00 65.33 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 0.49 0.00 -0.23 0.00 0.00 178.00 178.32 2jr3 s LEU 17 N 1.75 2.05 0.03 0.00 2.96 0.16 -4.98 118.68 120.65 2jr3 s LEU 17 Ca -0.04 -0.32 -0.30 0.00 -0.22 0.00 0.00 54.13 53.24 2jr3 s LEU 17 Cb -0.03 -0.83 -0.06 0.00 0.50 0.00 0.00 46.19 45.77 2jr3 s LEU 17 CO -0.15 0.18 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 0.37 0.00 0.04 0.00 0.00 61.00 63.50 2jr3 s PRO 18 Cb -0.07 -3.52 2.03 0.00 0.04 0.00 0.00 34.50 32.98 2jr3 s PRO 18 CO -0.00 -0.57 2.16 0.82 0.04 0.00 0.00 177.00 179.45 2jr3 h ILE 19 N 4.80 0.05 -0.03 0.56 2.04 -1.87 -0.39 117.51 122.67 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 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2jr3 h ILE 19 CO 0.90 0.00 0.04 1.62 0.00 0.00 0.00 178.15 180.71 2jr3 h VAL 20 N 0.00 0.38 -0.01 1.67 3.04 -1.90 -0.99 116.25 118.45 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 0.32 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 2jr3 h VAL 20 CO -0.00 0.00 -0.11 0.47 -1.01 0.00 0.00 177.57 176.92 2jr3 n ASP 21 N -3.64 1.33 -4.21 3.17 8.00 -0.17 -5.05 116.55 115.98 2jr3 n ASP 21 Ca -0.02 -1.16 -0.35 0.00 0.71 0.00 0.00 54.79 53.96 2jr3 n ASP 21 Cb 0.12 0.30 0.07 0.00 -0.02 0.00 0.00 41.12 41.60 2jr3 n ASP 21 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2jr3 n LEU 22 N -0.01 -3.10 0.00 0.64 7.94 -0.38 -4.94 117.00 117.15 2jr3 n LEU 22 Ca 0.04 0.29 0.00 0.00 -1.11 0.00 0.00 56.01 55.23 2jr3 n LEU 22 Cb 0.19 -0.98 0.00 0.00 0.53 0.00 0.00 43.42 43.16 2jr3 n LEU 22 CO 0.09 -4.82 -0.04 -0.11 -1.11 0.00 0.00 177.39 171.40 2jr3 n LEU 23 N 1.22 0.00 -4.93 -1.96 0.00 -1.26 -5.06 117.00 105.00 2jr3 n LEU 23 Ca 0.03 -0.02 -0.21 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 43.96 2jr3 n LEU 23 CO 0.52 0.00 0.09 0.00 0.00 0.00 0.00 177.39 178.00 2jr3 n ILE 25 N -1.74 0.00 0.41 0.00 5.41 -1.26 -4.66 119.36 117.51 2jr3 n ILE 25 Ca 0.06 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.85 2jr3 n ILE 25 Cb 0.61 -0.62 0.19 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 -2.35 0.97 -0.05 1.39 3.14 -1.26 -4.93 118.33 115.24 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 0.49 -0.09 0.04 0.00 -1.06 0.00 0.00 33.84 33.22 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 -2.01 -5.09 1.45 1.44 -1.26 -4.87 115.22 105.33 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 -0.22 -0.15 0.00 0.12 0.00 0.00 29.99 30.27 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 -1.06 1.96 -0.29 0.61 1.01 -0.55 -4.96 120.40 117.12 2jr3 s VAL 28 Ca 0.10 -1.15 0.17 0.00 0.00 0.00 0.00 61.98 61.10 2jr3 s VAL 28 Cb -0.02 -1.64 0.48 0.00 0.00 0.00 0.00 36.38 35.20 2jr3 s VAL 28 CO 0.08 0.47 1.12 0.35 0.00 0.00 0.00 175.10 177.12 2jr3 n THR 29 N 2.24 1.68 -4.41 3.92 -2.24 -1.26 -0.00 114.28 114.20 2jr3 n THR 29 Ca -0.16 -3.44 -0.34 0.00 -2.27 0.00 0.00 64.05 57.84 2jr3 n THR 29 Cb 0.52 0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 69.01 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 -4.07 4.11 0.00 2.28 1.01 -1.26 -4.43 120.40 118.04 2jr3 s VAL 30 Ca 0.35 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2jr3 s VAL 30 Cb 0.37 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 34.00 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 1.95 2.35 3.42 4.51 0.00 -1.26 -0.09 105.19 116.07 2jr3 n GLY 31 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.22 6.79 -0.49 0.00 0.15 -1.26 -4.96 113.70 109.70 2jr3 s SER 33 Ca 0.54 1.15 -0.30 0.00 0.70 0.00 0.00 55.95 58.04 2jr3 s SER 33 Cb -0.04 -2.32 -0.10 0.00 -1.71 0.00 0.00 66.02 61.85 2jr3 s SER 33 CO 0.35 -0.05 2.37 0.61 1.20 0.00 0.00 173.24 177.72 2jr3 n GLY 34 N 0.17 0.29 0.00 9.45 0.00 -1.26 -0.78 105.19 113.05 2jr3 n GLY 34 Ca -0.00 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 6.20 1.05 2.99 -0.02 0.00 -1.26 -5.11 105.19 109.03 2jr3 n GLY 35 Ca 0.42 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.56 1.19 0.02 1.61 0.40 0.04 -3.41 117.98 116.26 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 -0.90 -0.00 0.00 0.51 0.00 0.00 43.02 42.63 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 3.79 4.16 3.01 4.36 0.00 0.23 -4.23 105.19 116.52 2jr3 n GLY 37 Ca -0.23 -2.18 -0.12 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 n ARG 40 N -0.89 1.49 -0.10 0.00 5.12 -1.26 -3.99 116.66 117.02 2jr3 n ARG 40 Ca -0.05 0.28 -0.20 0.00 -1.93 0.00 0.00 57.85 55.96 2jr3 n ARG 40 Cb 0.61 -3.25 -0.09 0.00 -1.16 0.00 0.00 32.46 28.56 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 7.83 1.51 0.00 0.55 5.41 -0.53 -5.02 119.36 129.11 2jr3 n ILE 41 Ca 0.34 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 64.06 2jr3 n ILE 41 Cb 0.47 -2.09 0.00 0.00 -0.71 0.00 0.00 39.64 37.31 2jr3 n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16