#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 5.49 -4.93 -1.12 8.00 -1.26 -5.04 116.55 117.69 2jr3 n ASP 2 Ca 0.00 -3.26 -0.25 0.00 0.71 0.00 0.00 54.79 52.00 2jr3 n ASP 2 Cb 0.00 -1.20 -0.01 0.00 -0.02 0.00 0.00 41.12 39.89 2jr3 n ASP 2 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jr3 s THR 3 N -2.07 5.08 0.07 -3.53 -4.23 -1.26 -5.11 115.64 104.59 2jr3 s THR 3 Ca 0.31 -0.35 -0.01 0.00 -1.18 0.00 0.00 61.69 60.46 2jr3 s THR 3 Cb -0.01 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 70.00 2jr3 s THR 3 CO -0.00 -0.58 0.06 -0.81 -0.54 0.00 0.00 174.62 172.75 2jr3 n PRO 4 N -1.78 -1.14 -1.26 3.99 -0.04 -1.26 -4.85 135.00 128.65 2jr3 n PRO 4 Ca -0.04 -0.10 -0.30 0.00 -0.04 0.00 0.00 63.50 63.02 2jr3 n PRO 4 Cb 0.56 -0.09 -0.07 0.00 -0.04 0.00 0.00 33.50 33.86 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 -3.10 7.55 -4.69 3.54 3.41 -1.26 -4.89 113.62 114.18 2jr3 n SER 5 Ca 0.01 -2.60 -0.25 0.00 -0.26 0.00 0.00 58.87 55.76 2jr3 n SER 5 Cb 0.03 -1.49 -0.07 0.00 -0.26 0.00 0.00 64.21 62.42 2jr3 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jr3 s SER 6 N 1.94 4.86 0.17 4.04 0.01 -1.26 -5.05 113.70 118.40 2jr3 s SER 6 Ca 0.68 -0.40 -0.09 0.00 1.31 0.00 0.00 55.95 57.45 2jr3 s SER 6 Cb 0.23 -1.06 -0.01 0.00 0.21 0.00 0.00 66.02 65.40 2jr3 s SER 6 CO -0.05 0.06 0.28 -0.13 0.41 0.00 0.00 173.24 173.82 2jr3 s ARG 7 N -3.16 1.17 -0.24 12.44 0.52 -1.26 -4.79 118.95 123.63 2jr3 s ARG 7 Ca 0.29 -1.19 -0.28 0.00 -0.52 0.00 0.00 55.73 54.02 2jr3 s ARG 7 Cb -0.09 0.38 -0.04 0.00 0.52 0.00 0.00 34.95 35.72 2jr3 s ARG 7 CO 0.20 -0.43 2.08 0.00 0.02 0.00 0.00 175.30 177.16 2jr3 n GLY 9 N 5.60 0.76 0.01 0.00 0.00 0.13 -4.71 105.19 106.98 2jr3 n GLY 9 Ca 0.27 -0.64 -0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 1.28 4.24 0.00 1.61 2.88 -0.51 -5.01 113.62 118.11 2jr3 n SER 10 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jr3 n SER 10 Cb 0.14 0.84 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 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 2.58 1.31 0.16 0.46 0.00 -1.25 -4.91 105.19 103.54 2jr3 n GLY 11 Ca -0.03 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.38 3.75 -0.02 0.00 -1.26 -4.95 105.19 102.33 2jr3 n GLY 12 Ca 0.00 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.41 3.73 0.20 1.61 0.52 -1.26 -2.17 118.94 119.16 2jr3 s TRP 13 Ca 0.10 1.40 -0.03 0.00 0.02 0.00 0.00 56.10 57.59 2jr3 s TRP 13 Cb 0.14 -2.75 0.05 0.00 -1.15 0.00 0.00 33.47 29.76 2jr3 s TRP 13 CO 0.61 0.31 0.11 0.41 0.02 0.00 0.00 176.95 178.41 2jr3 n GLY 14 N 2.35 -3.57 0.14 0.98 0.00 -1.26 -0.05 105.19 103.78 2jr3 n GLY 14 Ca -0.04 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.22 -0.72 1.61 0.13 -1.95 0.38 132.00 131.23 2jr3 h PRO 15 Ca -0.05 0.02 0.22 0.00 -0.87 0.00 0.00 66.00 65.31 2jr3 h PRO 15 Cb 0.17 0.05 -0.30 0.00 0.13 0.00 0.00 31.00 31.06 2jr3 h PRO 15 CO 0.03 0.18 0.60 0.00 -0.23 0.00 0.00 178.00 178.58 2jr3 s LEU 17 N 1.57 2.05 0.02 0.00 2.96 0.20 -4.97 118.68 120.51 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 -0.02 -0.86 -0.06 0.00 0.50 0.00 0.00 46.19 45.75 2jr3 s LEU 17 CO -0.13 0.20 1.43 -2.16 -1.32 0.00 0.00 176.35 174.36 2jr3 s PRO 18 N -0.47 4.28 0.66 0.98 0.04 -1.26 0.82 135.00 140.04 2jr3 s PRO 18 Ca 0.06 2.02 0.40 0.00 0.04 0.00 0.00 61.00 63.52 2jr3 s PRO 18 Cb -0.07 -3.54 2.17 0.00 0.04 0.00 0.00 34.50 33.10 2jr3 s PRO 18 CO -0.00 -0.58 2.22 0.82 0.04 0.00 0.00 177.00 179.50 2jr3 h ILE 19 N 4.83 0.00 -0.07 0.56 2.04 -1.87 -0.96 117.51 122.05 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 0.11 1.62 0.00 0.00 0.00 178.15 180.78 2jr3 h VAL 20 N 0.00 0.32 -0.01 1.67 3.04 -1.90 -0.59 116.25 118.78 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 0.20 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 2jr3 h VAL 20 CO 0.00 0.00 -0.08 0.47 -1.01 0.00 0.00 177.57 176.95 2jr3 n ASP 21 N -3.54 1.23 -4.26 3.17 8.00 -0.38 -5.05 116.55 115.73 2jr3 n ASP 21 Ca -0.01 -1.12 -0.36 0.00 0.71 0.00 0.00 54.79 54.01 2jr3 n ASP 21 Cb 0.20 0.28 0.06 0.00 -0.02 0.00 0.00 41.12 41.64 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 -0.03 -2.48 0.00 0.64 7.94 -0.23 -4.94 117.00 117.91 2jr3 n LEU 22 Ca 0.03 0.41 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 -4.50 -0.04 -0.11 -1.11 0.00 0.00 177.39 171.70 2jr3 n LEU 23 N 1.23 0.00 -5.01 -1.96 0.00 -1.26 -5.06 117.00 104.94 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 0.27 0.00 0.00 0.00 0.00 177.39 178.18 2jr3 n ILE 25 N -2.10 0.00 0.39 0.00 5.41 -1.26 -4.71 119.36 117.09 2jr3 n ILE 25 Ca 0.12 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.92 2jr3 n ILE 25 Cb 0.61 -0.49 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 -2.02 0.98 -0.06 1.39 3.14 -1.26 -4.93 118.33 115.57 2jr3 n VAL 26 Ca 0.00 -0.61 -0.05 0.00 -2.96 0.00 0.00 64.34 60.71 2jr3 n VAL 26 Cb 0.37 -0.09 0.05 0.00 -1.06 0.00 0.00 33.84 33.11 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 0.45 -2.07 -4.87 1.45 1.44 -1.26 -5.03 115.22 105.33 2jr3 n HIS 27 Ca 0.13 -0.12 -0.28 0.00 -2.01 0.00 0.00 57.72 55.44 2jr3 n HIS 27 Cb 0.54 -0.26 -0.15 0.00 0.12 0.00 0.00 29.99 30.24 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 -1.11 1.90 -0.30 0.61 1.01 0.09 -5.00 120.40 117.61 2jr3 s VAL 28 Ca 0.12 -1.23 0.17 0.00 0.00 0.00 0.00 61.98 61.04 2jr3 s VAL 28 Cb -0.02 -1.62 0.48 0.00 0.00 0.00 0.00 36.38 35.22 2jr3 s VAL 28 CO 0.10 0.35 1.08 0.35 0.00 0.00 0.00 175.10 176.98 2jr3 n THR 29 N 1.98 1.51 -4.47 3.92 -2.24 -1.26 0.27 114.28 113.99 2jr3 n THR 29 Ca -0.17 -3.36 -0.34 0.00 -2.27 0.00 0.00 64.05 57.91 2jr3 n THR 29 Cb 0.52 0.50 -0.11 0.00 -2.10 0.00 0.00 70.33 69.15 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 -3.93 4.03 0.00 2.28 1.01 -1.26 -4.42 120.40 118.11 2jr3 s VAL 30 Ca 0.33 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2jr3 s VAL 30 Cb 0.38 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 34.07 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 2.38 1.98 3.59 4.51 0.00 -1.26 -1.04 105.19 115.34 2jr3 n GLY 31 Ca -0.18 0.00 -0.18 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 -4.39 6.55 -0.59 0.00 0.01 -1.26 -4.95 113.70 109.07 2jr3 s SER 33 Ca 0.57 1.12 -0.26 0.00 1.31 0.00 0.00 55.95 58.69 2jr3 s SER 33 Cb -0.04 -2.32 -0.09 0.00 0.21 0.00 0.00 66.02 63.78 2jr3 s SER 33 CO 0.37 -0.35 2.42 0.61 0.41 0.00 0.00 173.24 176.69 2jr3 n GLY 34 N -1.12 0.07 0.00 3.44 0.00 -1.26 -1.05 105.19 105.26 2jr3 n GLY 34 Ca 0.02 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 6.28 0.36 2.98 -0.02 0.00 -1.26 -5.12 105.19 108.41 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 -1.12 1.19 0.00 1.61 0.40 -0.21 -3.32 117.98 116.53 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 3.88 4.33 3.19 4.36 0.00 0.24 -4.20 105.19 117.00 2jr3 n GLY 37 Ca -0.24 -2.16 -0.13 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 -3.78 3.95 -0.13 0.00 1.81 -1.26 -3.98 118.95 115.55 2jr3 s ARG 40 Ca 0.37 2.40 -0.08 0.00 -1.72 0.00 0.00 55.73 56.70 2jr3 s ARG 40 Cb 0.04 -4.17 -0.06 0.00 -0.45 0.00 0.00 34.95 30.31 2jr3 s ARG 40 CO 0.20 -1.17 -0.19 -0.89 -0.68 0.00 0.00 175.30 172.58 2jr3 n ILE 41 N 5.98 0.93 0.64 1.52 5.41 -0.92 -5.04 119.36 127.89 2jr3 n ILE 41 Ca 0.21 -0.11 0.05 0.00 1.00 0.00 0.00 62.75 63.90 2jr3 n ILE 41 Cb 0.42 -1.76 0.30 0.00 -0.71 0.00 0.00 39.64 37.89 2jr3 n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16