#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrj n ASN 11 N 0.00 -6.56 -1.54 4.31 3.02 -1.26 -4.96 115.26 108.28 2jrj n ASN 11 Ca 0.00 1.40 -0.14 0.00 -0.03 0.00 0.00 54.58 55.81 2jrj n ASN 11 Cb 0.00 -5.25 0.13 0.00 -0.61 0.00 0.00 39.78 34.06 2jrj n ASN 11 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2jrj n VAL 12 N 0.87 2.68 -2.00 2.41 0.24 -1.26 -4.98 118.33 116.29 2jrj n VAL 12 Ca -0.08 -3.24 -0.26 0.00 -2.04 0.00 0.00 64.34 58.73 2jrj n VAL 12 Cb 0.12 -0.66 -0.06 0.00 -1.47 0.00 0.00 33.84 31.76 2jrj n VAL 12 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2jrj s SER 13 N -2.80 4.86 -0.35 -1.34 0.01 -1.26 -4.65 113.70 108.17 2jrj s SER 13 Ca 0.49 -1.24 0.01 0.00 1.31 0.00 0.00 55.95 56.52 2jrj s SER 13 Cb 0.42 -2.58 0.19 0.00 0.21 0.00 0.00 66.02 64.26 2jrj s SER 13 CO 0.00 -3.18 0.78 -1.58 0.41 0.00 0.00 173.24 169.67 2jrj s GLN 14 N 6.92 0.51 0.78 12.44 2.00 -1.26 -5.07 119.66 135.99 2jrj s GLN 14 Ca 0.71 0.04 -0.12 0.00 -2.00 0.00 0.00 55.36 53.99 2jrj s GLN 14 Cb -0.03 0.11 0.06 0.00 0.80 0.00 0.00 33.01 33.95 2jrj s GLN 14 CO 0.09 -0.80 1.11 -0.65 -0.50 0.00 0.00 175.29 174.54 2jrj s GLN 15 N 2.27 2.20 -0.02 1.67 -0.21 -1.26 -5.01 119.66 119.30 2jrj s GLN 15 Ca 0.16 0.50 0.05 0.00 0.02 0.00 0.00 55.36 56.09 2jrj s GLN 15 Cb -0.03 -1.94 -0.01 0.00 1.00 0.00 0.00 33.01 32.02 2jrj s GLN 15 CO -0.16 -1.51 -0.16 1.21 -2.12 0.00 0.00 175.29 172.56 2jrj s ASN 16 N -4.12 1.87 -0.40 5.90 3.84 -1.26 -3.49 114.94 117.28 2jrj s ASN 16 Ca 0.60 -0.29 -0.28 0.00 0.21 0.00 0.00 52.86 53.10 2jrj s ASN 16 Cb -0.13 -0.26 -0.00 0.00 -0.55 0.00 0.00 41.25 40.31 2jrj s ASN 16 CO 0.53 0.18 1.56 0.00 -2.79 0.00 0.00 177.10 176.58 2jrj h PRO 18 N 11.61 0.00 0.00 0.00 0.13 -1.91 0.77 132.00 142.60 2jrj h PRO 18 Ca -0.30 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 2jrj h PRO 18 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2jrj h PRO 18 CO 1.08 0.00 -0.06 0.82 -0.23 0.00 0.00 178.00 179.61 2jrj h ILE 19 N 0.00 0.39 0.00 -3.56 1.08 -1.94 -3.32 117.51 110.16 2jrj h ILE 19 Ca 0.00 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 2jrj h ILE 19 Cb 0.57 1.21 0.00 0.00 -3.07 0.00 0.00 36.82 35.53 2jrj h ILE 19 CO 0.00 0.06 -0.02 0.00 -0.69 0.00 0.00 178.15 177.50 2jrj n LEU 21 N 0.00 -5.17 -3.82 0.00 4.77 0.22 -5.04 117.00 107.96 2jrj n LEU 21 Ca 0.00 -0.38 -0.12 0.00 -0.03 0.00 0.00 56.01 55.47 2jrj n LEU 21 Cb 0.51 -2.77 -0.10 0.00 -2.33 0.00 0.00 43.42 38.72 2jrj n LEU 21 CO 0.00 -0.60 -0.12 -1.61 -1.33 0.00 0.00 177.39 173.73 2jrj s GLU 22 N -3.71 0.43 0.87 3.23 0.41 -0.92 -4.98 118.70 114.03 2jrj s GLU 22 Ca 0.02 -0.09 -0.11 0.00 -0.41 0.00 0.00 54.97 54.38 2jrj s GLU 22 Cb -0.01 0.19 0.12 0.00 -1.78 0.00 0.00 34.13 32.65 2jrj s GLU 22 CO 0.80 -0.09 1.10 0.34 -0.49 0.00 0.00 175.26 176.91 2jrj s ASP 23 N -0.79 3.59 -0.03 -0.19 2.15 -1.26 0.51 116.67 120.66 2jrj s ASP 23 Ca -0.09 1.74 -0.08 0.00 0.43 0.00 0.00 52.55 54.55 2jrj s ASP 23 Cb -0.05 -2.38 0.01 0.00 -0.30 0.00 0.00 42.92 40.20 2jrj s ASP 23 CO 0.02 -2.60 0.19 -0.51 -0.17 0.00 0.00 175.17 172.09 2jrj s ILE 24 N -2.84 0.05 0.08 4.11 2.07 -1.23 -4.59 121.20 118.85 2jrj s ILE 24 Ca 0.63 -0.44 -0.11 0.00 -1.41 0.00 0.00 60.65 59.33 2jrj s ILE 24 Cb -0.19 -0.42 -0.06 0.00 0.13 0.00 0.00 42.46 41.93 2jrj s ILE 24 CO 0.57 -0.24 0.43 -1.00 -1.91 0.00 0.00 174.94 172.79 2jrj s HIS 25 N -0.90 3.60 -0.33 3.50 3.76 -1.26 -4.56 115.29 119.10 2jrj s HIS 25 Ca -0.10 0.85 0.27 0.00 -0.15 0.00 0.00 55.06 55.93 2jrj s HIS 25 Cb -0.05 -2.20 0.83 0.00 1.11 0.00 0.00 32.58 32.26 2jrj s HIS 25 CO 0.02 0.51 1.77 0.00 -0.85 0.00 0.00 174.74 176.19 2jrj h THR 26 N 2.92 0.00 -2.44 1.30 1.03 -1.97 -3.44 112.91 110.31 2jrj h THR 26 Ca -0.49 -0.65 -0.55 0.00 -0.01 0.00 0.00 66.41 64.71 2jrj h THR 26 Cb 1.20 1.61 0.00 0.00 -1.07 0.00 0.00 68.15 69.89 2jrj h THR 26 CO 0.66 0.00 1.22 -0.55 -0.01 0.00 0.00 175.52 176.84 2jrj s SER 27 N -5.48 6.34 0.42 0.00 0.15 -1.26 -4.87 113.70 109.00 2jrj s SER 27 Ca 0.05 2.27 0.12 0.00 0.70 0.00 0.00 55.95 59.09 2jrj s SER 27 Cb 0.08 -2.53 0.89 0.00 -1.71 0.00 0.00 66.02 62.75 2jrj s SER 27 CO 0.58 -1.19 1.96 -0.09 1.20 0.00 0.00 173.24 175.70 2jrj h ARG 28 N 11.02 0.15 0.00 5.44 2.43 -1.89 -2.88 114.38 128.66 2jrj h ARG 28 Ca -0.43 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2jrj h ARG 28 Cb 1.21 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2jrj h ARG 28 CO 0.96 0.29 -0.01 -0.24 -1.51 0.00 0.00 179.97 179.45 2jrj h VAL 29 N 0.15 0.28 -0.14 0.20 3.04 -1.97 -1.90 116.25 115.91 2jrj h VAL 29 Ca 0.03 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 2jrj h VAL 29 Cb 0.32 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.65 2jrj h VAL 29 CO 0.02 0.01 0.00 0.55 -1.01 0.00 0.00 177.57 177.14 2jrj n VAL 30 N -3.47 0.25 -4.18 1.51 3.14 -1.09 -4.99 118.33 109.50 2jrj n VAL 30 Ca -0.03 -0.63 -0.11 0.00 -2.96 0.00 0.00 64.34 60.62 2jrj n VAL 30 Cb 0.10 1.12 -0.10 0.00 -1.06 0.00 0.00 33.84 33.90 2jrj n VAL 30 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jrj s ALA 31 N -1.24 1.04 -0.15 1.55 0.00 -0.72 -4.72 121.76 117.52 2jrj s ALA 31 Ca 0.22 -1.51 -0.08 0.00 0.00 0.00 0.00 51.96 50.59 2jrj s ALA 31 Cb 0.14 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 2jrj s ALA 31 CO 0.20 -0.42 0.13 -1.58 0.00 0.00 0.00 175.76 174.09 2jrj s HIS 32 N -3.89 3.49 -0.24 0.00 2.46 0.59 -4.87 115.29 112.83 2jrj s HIS 32 Ca 0.23 0.42 -0.15 0.00 0.47 0.00 0.00 55.06 56.03 2jrj s HIS 32 Cb 0.07 -2.03 -0.04 0.00 -0.13 0.00 0.00 32.58 30.45 2jrj s HIS 32 CO 0.02 0.53 0.38 0.08 -2.47 0.00 0.00 174.74 173.28 2jrj s VAL 33 N -0.42 5.19 0.59 0.89 1.01 -1.26 -1.85 120.40 124.55 2jrj s VAL 33 Ca 0.12 0.62 -0.17 0.00 0.00 0.00 0.00 61.98 62.55 2jrj s VAL 33 Cb -0.12 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2jrj s VAL 33 CO 0.01 0.20 1.08 -0.76 0.00 0.00 0.00 175.10 175.64 2jrj s LEU 34 N 1.74 3.56 0.46 3.92 1.43 0.11 -4.93 118.68 124.97 2jrj s LEU 34 Ca 0.16 1.96 0.31 0.00 -1.03 0.00 0.00 54.13 55.54 2jrj s LEU 34 Cb -0.15 -4.55 1.58 0.00 0.03 0.00 0.00 46.19 43.10 2jrj s LEU 34 CO 0.09 -1.26 1.95 1.55 0.23 0.00 0.00 176.35 178.91 2jrj h PRO 35 N 0.62 0.00 -0.41 1.29 0.13 -1.98 0.42 132.00 132.07 2jrj h PRO 35 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2jrj h PRO 35 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jrj h PRO 35 CO 0.57 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 2jrj n GLY 37 N 1.29 0.65 3.87 0.00 0.00 0.14 -5.06 105.19 106.07 2jrj n GLY 37 Ca 0.17 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 2jrj n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jrj s HIS 38 N -2.00 3.27 -0.02 1.61 3.76 -1.24 -4.90 115.29 115.78 2jrj s HIS 38 Ca 0.00 -0.01 0.03 0.00 -0.15 0.00 0.00 55.06 54.93 2jrj s HIS 38 Cb 0.00 -1.53 -0.03 0.00 1.11 0.00 0.00 32.58 32.13 2jrj s HIS 38 CO 0.00 0.51 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.81 2jrj s LEU 39 N -3.46 3.13 -0.16 0.89 1.43 -1.26 0.06 118.68 119.31 2jrj s LEU 39 Ca 0.33 -0.12 -0.28 0.00 -1.03 0.00 0.00 54.13 53.02 2jrj s LEU 39 Cb -0.10 -1.76 0.07 0.00 0.03 0.00 0.00 46.19 44.44 2jrj s LEU 39 CO 0.26 0.31 0.72 -1.48 0.23 0.00 0.00 176.35 176.39 2jrj s LEU 40 N -1.23 -0.68 0.99 1.79 0.05 -0.77 -4.96 118.68 113.87 2jrj s LEU 40 Ca 0.15 1.03 -0.11 0.00 0.05 0.00 0.00 54.13 55.25 2jrj s LEU 40 Cb -0.11 2.46 0.17 0.00 -2.05 0.00 0.00 46.19 46.66 2jrj s LEU 40 CO 0.06 -0.43 1.00 0.00 -0.55 0.00 0.00 176.35 176.43 2jrj n HIS 41 N 1.72 0.06 0.01 3.48 -0.00 -1.26 -0.30 115.22 118.94 2jrj n HIS 41 Ca -0.16 0.25 -0.13 0.00 -0.00 0.00 0.00 57.72 57.68 2jrj n HIS 41 Cb 0.56 -1.90 -0.06 0.00 -0.00 0.00 0.00 29.99 28.59 2jrj n HIS 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jrj h ARG 42 N -2.05 -0.49 -0.12 -1.40 2.47 -1.93 -1.39 114.38 109.47 2jrj h ARG 42 Ca -0.47 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.29 2jrj h ARG 42 Cb 1.29 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.71 2jrj h ARG 42 CO 0.42 -0.33 0.06 1.79 0.56 0.00 0.00 179.97 182.47 2jrj h THR 43 N -0.51 1.00 -0.06 2.04 1.35 -2.01 -2.55 112.91 112.17 2jrj h THR 43 Ca 0.07 -0.04 0.02 0.00 -0.55 0.00 0.00 66.41 65.90 2jrj h THR 43 Cb 0.63 0.86 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2jrj h THR 43 CO -0.38 0.02 0.05 0.00 -0.25 0.00 0.00 175.52 174.97 2jrj h TYR 45 N 0.00 -0.59 -0.30 0.00 3.20 -0.83 0.23 116.97 118.67 2jrj h TYR 45 Ca 0.03 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.77 2jrj h TYR 45 Cb 0.13 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2jrj h TYR 45 CO 0.00 -0.32 -0.40 0.93 -1.64 0.00 0.00 178.16 176.74 2jrj h GLU 46 N -0.38 0.73 -0.75 1.82 4.39 -1.12 -0.83 114.58 118.44 2jrj h GLU 46 Ca 0.05 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.34 2jrj h GLU 46 Cb 0.44 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2jrj h GLU 46 CO -0.17 1.00 0.35 0.93 -1.16 0.00 0.00 179.01 179.96 2jrj h GLU 47 N 0.60 1.09 0.01 2.33 5.08 -0.86 0.26 114.58 123.09 2jrj h GLU 47 Ca 0.05 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2jrj h GLU 47 Cb 0.94 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2jrj h GLU 47 CO 0.09 0.86 -0.00 1.98 -1.00 0.00 0.00 179.01 180.93 2jrj h MET 48 N 1.06 -0.01 0.00 2.33 4.05 -0.86 -3.25 114.93 118.25 2jrj h MET 48 Ca 0.26 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.66 2jrj h MET 48 Cb 0.14 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.94 2jrj h MET 48 CO -0.03 0.72 -0.07 1.25 0.23 0.00 0.00 176.91 179.01 2jrj h LEU 49 N -0.77 0.00 -0.54 3.39 5.85 -1.11 -0.16 115.31 121.98 2jrj h LEU 49 Ca -0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2jrj h LEU 49 Cb 0.74 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 2jrj h LEU 49 CO 0.00 0.07 0.30 0.50 -0.34 0.00 0.00 178.44 178.97 2jrj h LYS 50 N 0.00 0.58 -0.09 1.25 3.64 -0.52 -2.72 116.57 118.71 2jrj h LYS 50 Ca -0.00 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.12 2jrj h LYS 50 Cb 0.13 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2jrj h LYS 50 CO 0.01 0.38 -0.81 0.93 -2.27 0.00 0.00 179.45 177.69 2jrj h GLU 51 N 0.59 0.71 -4.66 1.90 4.39 -1.24 -3.48 114.58 112.79 2jrj h GLU 51 Ca 0.23 -0.64 -0.26 0.00 0.34 0.00 0.00 59.36 59.02 2jrj h GLU 51 Cb 0.08 0.15 0.12 0.00 -0.10 0.00 0.00 28.75 29.00 2jrj h GLU 51 CO -0.13 1.24 -0.54 0.41 -1.16 0.00 0.00 179.01 178.83 2jrj n GLY 52 N 0.85 -0.15 3.79 -3.84 0.00 -0.20 -5.04 105.19 100.60 2jrj n GLY 52 Ca -0.09 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 2jrj n GLY 52 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2jrj n TYR 53 N -3.71 -1.53 -1.87 1.61 4.11 -1.26 -5.04 117.16 109.47 2jrj n TYR 53 Ca -0.13 -2.17 -0.42 0.00 -0.00 0.00 0.00 57.90 55.18 2jrj n TYR 53 Cb 0.60 -0.50 -0.03 0.00 -0.00 0.00 0.00 39.34 39.41 2jrj n TYR 53 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2jrj s ARG 54 N -4.41 4.17 -0.35 -3.48 1.81 -1.26 -4.86 118.95 110.55 2jrj s ARG 54 Ca 0.46 2.37 -0.31 0.00 -1.72 0.00 0.00 55.73 56.53 2jrj s ARG 54 Cb -0.04 -4.04 -0.09 0.00 -0.45 0.00 0.00 34.95 30.33 2jrj s ARG 54 CO 0.30 -0.89 2.26 0.00 -0.68 0.00 0.00 175.30 176.28 2jrj h PRO 56 N 14.23 0.00 0.00 0.00 0.13 -1.93 -1.22 132.00 143.21 2jrj h PRO 56 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2jrj h PRO 56 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2jrj h PRO 56 CO 1.04 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.09 2jrj n LEU 57 N -2.96 0.19 0.21 1.56 4.32 -1.25 -0.83 117.00 118.24 2jrj n LEU 57 Ca -0.01 0.54 0.09 0.00 -0.02 0.00 0.00 56.01 56.61 2jrj n LEU 57 Cb 0.18 -0.51 0.31 0.00 -1.62 0.00 0.00 43.42 41.78 2jrj n LEU 57 CO 0.22 -0.29 0.74 0.00 -1.22 0.00 0.00 177.39 176.84 2jrj n MET 59 N -3.25 0.80 -3.68 0.00 0.00 -0.25 -4.95 117.12 105.79 2jrj n MET 59 Ca 0.01 -0.09 -0.17 0.00 0.00 0.00 0.00 57.70 57.46 2jrj n MET 59 Cb 0.52 -1.29 -0.16 0.00 0.00 0.00 0.00 33.22 32.29 2jrj n MET 59 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 2jrj s HIS 60 N -2.71 -0.13 0.00 3.17 4.02 -0.01 -5.15 115.29 114.48 2jrj s HIS 60 Ca -0.05 0.51 0.00 0.00 1.02 0.00 0.00 55.06 56.54 2jrj s HIS 60 Cb 0.07 -0.27 0.00 0.00 -1.02 0.00 0.00 32.58 31.36 2jrj s HIS 60 CO 0.50 -0.23 0.00 0.45 1.02 0.00 0.00 174.74 176.48