#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 -3.48 -4.82 -2.24 9.92 -1.26 -5.04 116.55 109.63 2jr3 n ASP 2 Ca 0.00 1.20 -0.22 0.00 -0.53 0.00 0.00 54.79 55.24 2jr3 n ASP 2 Cb 0.00 -4.72 -0.04 0.00 -0.64 0.00 0.00 41.12 35.72 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 -0.95 4.47 0.59 -3.53 -4.23 -1.26 -5.13 115.64 105.60 2jr3 s THR 3 Ca -0.14 -1.37 -0.10 0.00 -1.18 0.00 0.00 61.69 58.90 2jr3 s THR 3 Cb 0.01 -3.40 0.15 0.00 1.34 0.00 0.00 72.50 70.59 2jr3 s THR 3 CO 0.69 -0.33 0.52 -0.81 -0.54 0.00 0.00 174.62 174.15 2jr3 n PRO 4 N -1.11 -2.04 -1.68 3.99 -0.04 -1.26 -4.87 135.00 127.99 2jr3 n PRO 4 Ca -0.08 -0.83 -0.41 0.00 -0.04 0.00 0.00 63.50 62.13 2jr3 n PRO 4 Cb 0.58 -0.78 -0.01 0.00 -0.04 0.00 0.00 33.50 33.25 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 -3.90 4.80 -1.38 3.54 3.41 -1.26 -4.89 113.62 113.95 2jr3 n SER 5 Ca 0.07 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 55.88 2jr3 n SER 5 Cb 0.28 -1.63 0.00 0.00 -0.26 0.00 0.00 64.21 62.60 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 5.54 0.91 -3.65 4.04 7.64 -1.26 -5.13 113.62 121.71 2jr3 n SER 6 Ca 0.56 -0.69 -0.02 0.00 1.01 0.00 0.00 58.87 59.73 2jr3 n SER 6 Cb 0.36 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.50 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 -0.74 0.00 -0.17 1.43 3.52 -1.26 -4.86 118.95 116.87 2jr3 s ARG 7 Ca 0.00 0.00 -0.37 0.00 -0.13 0.00 0.00 55.73 55.24 2jr3 s ARG 7 Cb 0.00 0.00 -0.14 0.00 -1.56 0.00 0.00 34.95 33.26 2jr3 s ARG 7 CO 0.00 -0.00 1.81 0.00 -0.81 0.00 0.00 175.30 176.30 2jr3 n GLY 9 N 4.28 0.14 0.00 0.00 0.00 0.11 -4.83 105.19 104.89 2jr3 n GLY 9 Ca 0.24 -0.65 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 0.91 1.75 0.00 1.61 2.88 0.34 -5.02 113.62 116.09 2jr3 n SER 10 Ca -0.07 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 2jr3 n SER 10 Cb 0.55 1.03 0.00 0.00 -0.75 0.00 0.00 64.21 65.04 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 1.54 -1.10 0.09 0.46 0.00 -1.26 -4.93 105.19 99.99 2jr3 n GLY 11 Ca 0.00 0.49 0.05 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.19 -0.00 3.76 -0.02 0.00 -1.26 -4.95 105.19 102.51 2jr3 n GLY 12 Ca 0.00 -0.28 -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 -1.70 3.75 0.02 1.61 0.52 -1.26 -1.77 118.94 120.10 2jr3 s TRP 13 Ca 0.06 1.41 -0.00 0.00 0.02 0.00 0.00 56.10 57.59 2jr3 s TRP 13 Cb 0.08 -2.75 0.01 0.00 -1.15 0.00 0.00 33.47 29.66 2jr3 s TRP 13 CO 0.34 0.34 0.01 0.41 0.02 0.00 0.00 176.95 178.07 2jr3 n GLY 14 N 2.28 -3.59 0.14 0.98 0.00 -1.26 -0.04 105.19 103.71 2jr3 n GLY 14 Ca -0.04 -1.18 -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 -0.23 -0.65 1.61 0.13 -1.95 0.31 132.00 131.21 2jr3 h PRO 15 Ca -0.01 0.02 0.23 0.00 -0.87 0.00 0.00 66.00 65.37 2jr3 h PRO 15 Cb 0.02 0.05 -0.30 0.00 0.13 0.00 0.00 31.00 30.90 2jr3 h PRO 15 CO 0.00 0.16 0.64 0.00 -0.23 0.00 0.00 178.00 178.57 2jr3 s LEU 17 N 1.53 2.05 0.03 0.00 2.96 0.18 -4.98 118.68 120.45 2jr3 s LEU 17 Ca -0.04 -0.34 -0.30 0.00 -0.22 0.00 0.00 54.13 53.22 2jr3 s LEU 17 Cb -0.02 -0.92 -0.06 0.00 0.50 0.00 0.00 46.19 45.69 2jr3 s LEU 17 CO -0.13 0.21 1.43 -2.16 -1.32 0.00 0.00 176.35 174.39 2jr3 s PRO 18 N -0.49 4.28 0.66 0.98 0.04 -1.26 0.81 135.00 140.02 2jr3 s PRO 18 Ca 0.07 2.03 0.38 0.00 0.04 0.00 0.00 61.00 63.52 2jr3 s PRO 18 Cb -0.07 -3.53 2.10 0.00 0.04 0.00 0.00 34.50 33.04 2jr3 s PRO 18 CO -0.00 -0.57 2.20 0.82 0.04 0.00 0.00 177.00 179.48 2jr3 h ILE 19 N 4.81 0.04 -0.05 0.56 2.04 -1.87 -0.64 117.51 122.40 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 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 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 0.33 -0.01 1.67 3.04 -1.90 -0.76 116.25 118.62 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 0.27 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 2jr3 h VAL 20 CO -0.00 0.00 -0.09 -0.67 -1.01 0.00 0.00 177.57 175.80 2jr3 n ASP 21 N -3.55 1.27 -4.26 3.17 2.03 -0.26 -5.05 116.55 109.89 2jr3 n ASP 21 Ca -0.02 -1.13 -0.36 0.00 0.52 0.00 0.00 54.79 53.80 2jr3 n ASP 21 Cb 0.17 0.28 0.06 0.00 -0.72 0.00 0.00 41.12 40.90 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 -0.01 -2.49 0.00 -2.67 7.94 -0.29 -4.94 117.00 114.54 2jr3 n LEU 22 Ca 0.04 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 2jr3 n LEU 22 Cb 0.17 -1.00 0.00 0.00 0.53 0.00 0.00 43.42 43.12 2jr3 n LEU 22 CO 0.07 -4.51 -0.04 -0.11 -1.11 0.00 0.00 177.39 171.69 2jr3 n LEU 23 N 1.21 0.00 -4.99 -1.96 0.00 -1.26 -5.06 117.00 104.93 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 0.03 0.00 0.00 0.00 0.00 43.42 43.97 2jr3 n LEU 23 CO 0.52 0.00 0.22 0.00 0.00 0.00 0.00 177.39 178.13 2jr3 n ILE 25 N -2.00 0.00 0.39 0.00 5.41 -1.26 -4.70 119.36 117.20 2jr3 n ILE 25 Ca 0.10 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.90 2jr3 n ILE 25 Cb 0.61 -0.54 0.19 0.00 -0.71 0.00 0.00 39.64 39.19 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 -2.12 0.99 -0.05 1.39 3.14 -1.26 -4.60 118.33 115.82 2jr3 n VAL 26 Ca 0.00 -0.62 -0.04 0.00 -2.96 0.00 0.00 64.34 60.72 2jr3 n VAL 26 Cb 0.41 -0.09 0.04 0.00 -1.06 0.00 0.00 33.84 33.14 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 -2.00 -5.03 1.45 1.44 -1.26 -4.89 115.22 105.38 2jr3 n HIS 27 Ca 0.13 -0.10 -0.29 0.00 -2.01 0.00 0.00 57.72 55.46 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 -1.06 1.92 -0.30 0.61 1.01 0.22 -4.94 120.40 117.86 2jr3 s VAL 28 Ca 0.09 -1.15 0.16 0.00 0.00 0.00 0.00 61.98 61.09 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 0.08 0.44 1.09 0.35 0.00 0.00 0.00 175.10 177.06 2jr3 n THR 29 N 2.20 1.63 -4.65 3.92 -2.24 -1.26 0.28 114.28 114.17 2jr3 n THR 29 Ca -0.16 -3.50 -0.34 0.00 -2.27 0.00 0.00 64.05 57.78 2jr3 n THR 29 Cb 0.52 0.27 -0.12 0.00 -2.10 0.00 0.00 70.33 68.91 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 -4.05 3.62 0.00 2.28 1.01 -1.26 -4.47 120.40 117.53 2jr3 s VAL 30 Ca 0.35 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2jr3 s VAL 30 Cb 0.38 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 34.28 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 2.32 2.17 3.61 4.51 0.00 -1.26 -0.59 105.19 115.95 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 -4.45 6.39 -0.72 0.00 0.01 -1.26 -4.94 113.70 108.72 2jr3 s SER 33 Ca 0.58 1.16 -0.26 0.00 1.31 0.00 0.00 55.95 58.74 2jr3 s SER 33 Cb -0.04 -2.34 -0.09 0.00 0.21 0.00 0.00 66.02 63.75 2jr3 s SER 33 CO 0.37 -0.57 2.27 -0.83 0.41 0.00 0.00 173.24 174.90 2jr3 s GLY 34 N -3.67 -0.45 0.00 3.44 0.00 -1.26 -1.28 107.32 104.10 2jr3 s GLY 34 Ca 0.51 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.53 2jr3 s GLY 34 CO 0.40 4.00 0.00 0.61 0.00 0.00 0.00 173.10 178.11 2jr3 n GLY 35 N 6.50 0.03 2.98 0.20 0.00 -1.26 -5.12 105.19 108.52 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 -0.94 1.18 0.00 1.61 0.40 -0.40 -3.25 117.98 116.57 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 -0.23 0.00 0.41 0.70 0.00 0.00 175.22 176.10 2jr3 n GLY 37 N 3.81 4.40 3.22 4.36 0.00 0.24 -4.19 105.19 117.03 2jr3 n GLY 37 Ca -0.23 -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 -3.76 3.51 -0.24 0.00 1.81 -1.26 -3.98 118.95 115.02 2jr3 s ARG 40 Ca 0.36 2.11 -0.14 0.00 -1.72 0.00 0.00 55.73 56.35 2jr3 s ARG 40 Cb 0.02 -4.26 -0.10 0.00 -0.45 0.00 0.00 34.95 30.16 2jr3 s ARG 40 CO 0.20 -1.67 -0.33 -0.89 -0.68 0.00 0.00 175.30 171.93 2jr3 n ILE 41 N 6.95 1.43 0.72 1.52 5.41 -0.73 -5.03 119.36 129.63 2jr3 n ILE 41 Ca 0.25 -0.25 0.06 0.00 1.00 0.00 0.00 62.75 63.81 2jr3 n ILE 41 Cb 0.44 -1.94 0.34 0.00 -0.71 0.00 0.00 39.64 37.77 2jr3 n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16