#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrj s ASN 11 N 0.00 -1.12 0.05 -1.84 2.47 -1.26 -5.04 114.94 108.21 2jrj s ASN 11 Ca 0.00 1.57 0.22 0.00 0.42 0.00 0.00 52.86 55.07 2jrj s ASN 11 Cb 0.00 2.19 -0.20 0.00 -1.45 0.00 0.00 41.25 41.79 2jrj s ASN 11 CO 0.00 -0.22 0.71 0.55 -3.72 0.00 0.00 177.10 174.42 2jrj n VAL 12 N 5.30 0.21 -1.82 -5.21 3.14 -1.26 -4.91 118.33 113.79 2jrj n VAL 12 Ca -0.13 -0.48 -0.42 0.00 -2.96 0.00 0.00 64.34 60.34 2jrj n VAL 12 Cb 0.50 -0.06 -0.03 0.00 -1.06 0.00 0.00 33.84 33.19 2jrj n VAL 12 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2jrj s SER 13 N -4.70 5.61 0.05 6.55 1.04 -1.26 -4.93 113.70 116.06 2jrj s SER 13 Ca -0.04 1.47 -0.21 0.00 0.48 0.00 0.00 55.95 57.65 2jrj s SER 13 Cb 0.13 -2.52 0.05 0.00 0.10 0.00 0.00 66.02 63.78 2jrj s SER 13 CO 0.86 -1.91 0.49 0.00 0.98 0.00 0.00 173.24 173.67 2jrj s GLN 14 N 6.14 1.01 0.18 4.02 -2.07 -1.26 -4.92 119.66 122.75 2jrj s GLN 14 Ca 0.88 -0.29 0.10 0.00 -1.82 0.00 0.00 55.36 54.23 2jrj s GLN 14 Cb -0.26 0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 32.08 2jrj s GLN 14 CO 0.33 -0.36 -0.22 -0.65 -1.32 0.00 0.00 175.29 173.07 2jrj s GLN 15 N -2.53 1.41 0.01 9.60 -1.52 0.03 -5.04 119.66 121.64 2jrj s GLN 15 Ca -0.05 -1.46 0.04 0.00 -1.95 0.00 0.00 55.36 51.94 2jrj s GLN 15 Cb -0.01 -1.66 -0.03 0.00 -0.22 0.00 0.00 33.01 31.09 2jrj s GLN 15 CO -0.02 0.36 -0.10 0.54 -0.25 0.00 0.00 175.29 175.82 2jrj s ASN 16 N -2.59 4.40 -0.47 5.90 4.22 -1.26 -0.75 114.94 124.39 2jrj s ASN 16 Ca 0.18 -0.22 -0.20 0.00 -2.14 0.00 0.00 52.86 50.48 2jrj s ASN 16 Cb -0.07 -0.96 0.04 0.00 1.28 0.00 0.00 41.25 41.53 2jrj s ASN 16 CO 0.08 0.28 0.66 0.00 -2.04 0.00 0.00 177.10 176.08 2jrj n PRO 18 N 6.32 0.11 0.24 0.00 -0.04 -1.26 -0.58 135.00 139.78 2jrj n PRO 18 Ca -0.03 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2jrj n PRO 18 Cb 0.47 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 32.95 2jrj n PRO 18 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2jrj h ILE 19 N 0.00 0.43 0.00 0.52 1.08 -1.97 -3.37 117.51 114.20 2jrj h ILE 19 Ca 0.00 -0.96 0.00 0.00 -0.39 0.00 0.00 64.86 63.51 2jrj h ILE 19 Cb 0.36 1.69 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 2jrj h ILE 19 CO 0.00 0.17 0.00 0.00 -0.69 0.00 0.00 178.15 177.63 2jrj n LEU 21 N 0.00 -6.82 -3.85 0.00 4.32 0.25 -5.07 117.00 105.83 2jrj n LEU 21 Ca 0.00 1.27 -0.09 0.00 -0.02 0.00 0.00 56.01 57.17 2jrj n LEU 21 Cb 0.45 -2.91 -0.04 0.00 -1.62 0.00 0.00 43.42 39.29 2jrj n LEU 21 CO 0.00 -2.89 0.29 -0.70 -1.22 0.00 0.00 177.39 172.87 2jrj s GLU 22 N -1.38 1.52 0.14 3.23 -6.30 -1.03 -4.96 118.70 109.93 2jrj s GLU 22 Ca -0.02 -1.01 -0.17 0.00 -2.50 0.00 0.00 54.97 51.26 2jrj s GLU 22 Cb 0.00 0.52 -0.07 0.00 0.00 0.00 0.00 34.13 34.58 2jrj s GLU 22 CO 0.59 -0.65 0.60 0.34 0.02 0.00 0.00 175.26 176.15 2jrj s ASP 23 N -2.93 6.95 -0.02 -1.70 2.15 -1.26 -0.42 116.67 119.44 2jrj s ASP 23 Ca 0.14 1.21 -0.03 0.00 0.43 0.00 0.00 52.55 54.30 2jrj s ASP 23 Cb -0.02 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 2jrj s ASP 23 CO 0.03 0.14 0.08 -0.63 -0.17 0.00 0.00 175.17 174.62 2jrj s ILE 24 N -1.37 0.02 0.46 4.11 1.01 0.07 -4.75 121.20 120.75 2jrj s ILE 24 Ca 0.36 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.86 2jrj s ILE 24 Cb -0.17 -0.18 -0.02 0.00 0.01 0.00 0.00 42.46 42.10 2jrj s ILE 24 CO 0.20 -0.10 0.05 -1.00 0.00 0.00 0.00 174.94 174.09 2jrj s HIS 25 N -0.28 1.88 -0.54 3.97 3.76 -1.26 -0.79 115.29 122.03 2jrj s HIS 25 Ca -0.03 -1.06 0.26 0.00 -0.15 0.00 0.00 55.06 54.08 2jrj s HIS 25 Cb -0.02 -1.45 0.86 0.00 1.11 0.00 0.00 32.58 33.08 2jrj s HIS 25 CO 0.00 0.05 1.76 0.00 -0.85 0.00 0.00 174.74 175.70 2jrj h THR 26 N 1.55 0.00 -0.30 1.30 1.03 -1.98 -3.43 112.91 111.08 2jrj h THR 26 Ca -0.41 -0.46 -0.04 0.00 -0.01 0.00 0.00 66.41 65.49 2jrj h THR 26 Cb 1.29 1.37 -0.01 0.00 -1.07 0.00 0.00 68.15 69.73 2jrj h THR 26 CO 0.68 0.00 0.25 -1.20 -0.01 0.00 0.00 175.52 175.24 2jrj n SER 27 N -2.43 1.41 0.04 0.00 7.64 -1.26 -4.72 113.62 114.29 2jrj n SER 27 Ca 0.04 -1.39 0.09 0.00 1.01 0.00 0.00 58.87 58.62 2jrj n SER 27 Cb 0.36 -1.53 0.40 0.00 -1.01 0.00 0.00 64.21 62.44 2jrj n SER 27 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jrj n ARG 28 N 8.40 0.07 -0.02 1.43 1.74 -1.26 -1.02 116.66 126.00 2jrj n ARG 28 Ca 0.49 0.26 -0.04 0.00 -0.77 0.00 0.00 57.85 57.80 2jrj n ARG 28 Cb 0.39 -1.61 0.19 0.00 -1.02 0.00 0.00 32.46 30.41 2jrj n ARG 28 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2jrj h VAL 29 N 0.00 1.26 0.00 1.55 2.07 -1.98 -3.35 116.25 115.80 2jrj h VAL 29 Ca 0.00 -1.19 -0.21 0.00 0.82 0.00 0.00 66.70 66.12 2jrj h VAL 29 Cb 0.34 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2jrj h VAL 29 CO 0.00 0.39 -1.40 0.52 0.02 0.00 0.00 177.57 177.10 2jrj n VAL 30 N -4.15 1.50 -2.85 2.57 0.31 -0.75 -4.85 118.33 110.12 2jrj n VAL 30 Ca 0.00 -0.04 -0.42 0.00 -0.01 0.00 0.00 64.34 63.87 2jrj n VAL 30 Cb 0.38 -2.12 -0.04 0.00 -0.91 0.00 0.00 33.84 31.15 2jrj n VAL 30 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jrj s ALA 31 N -2.56 3.52 0.06 3.52 0.00 -0.19 -4.41 121.76 121.69 2jrj s ALA 31 Ca -0.28 -0.32 -0.31 0.00 0.00 0.00 0.00 51.96 51.05 2jrj s ALA 31 Cb 0.07 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.69 2jrj s ALA 31 CO 0.46 -1.31 1.63 -1.58 0.00 0.00 0.00 175.76 174.96 2jrj s HIS 32 N 3.18 2.43 -0.31 0.00 5.65 0.13 -4.20 115.29 122.17 2jrj s HIS 32 Ca 0.36 0.36 -0.28 0.00 0.25 0.00 0.00 55.06 55.75 2jrj s HIS 32 Cb -0.13 -3.94 0.01 0.00 -1.18 0.00 0.00 32.58 27.34 2jrj s HIS 32 CO 0.14 -3.74 1.04 0.54 -0.65 0.00 0.00 174.74 172.06 2jrj s VAL 33 N 2.69 4.56 0.71 0.89 0.11 -1.26 -2.46 120.40 125.63 2jrj s VAL 33 Ca 0.73 1.71 -0.15 0.00 -2.93 0.00 0.00 61.98 61.35 2jrj s VAL 33 Cb -0.39 -4.37 0.03 0.00 -1.53 0.00 0.00 36.38 30.11 2jrj s VAL 33 CO 0.32 -0.42 1.16 -0.76 -3.33 0.00 0.00 175.10 172.06 2jrj s LEU 34 N 3.52 3.32 0.00 2.54 1.43 0.15 -4.90 118.68 124.75 2jrj s LEU 34 Ca 0.44 2.17 0.12 0.00 -1.03 0.00 0.00 54.13 55.83 2jrj s LEU 34 Cb -0.13 -4.57 0.61 0.00 0.03 0.00 0.00 46.19 42.14 2jrj s LEU 34 CO 0.14 -2.00 1.29 -0.81 0.23 0.00 0.00 176.35 175.20 2jrj n PRO 35 N -2.66 0.18 -0.44 1.29 -0.04 -1.26 -1.27 135.00 130.80 2jrj n PRO 35 Ca 0.12 0.17 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 2jrj n PRO 35 Cb 0.51 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.75 2jrj n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jrj n GLY 37 N 0.57 0.75 3.94 0.00 0.00 -0.40 -5.02 105.19 105.04 2jrj n GLY 37 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.77 3.48 -0.01 1.61 3.76 -1.25 -4.85 115.29 115.26 2jrj s HIS 38 Ca 0.00 0.27 0.05 0.00 -0.15 0.00 0.00 55.06 55.22 2jrj s HIS 38 Cb 0.00 -1.80 -0.03 0.00 1.11 0.00 0.00 32.58 31.86 2jrj s HIS 38 CO 0.00 0.34 -0.14 -0.51 -0.85 0.00 0.00 174.74 173.58 2jrj s LEU 39 N -3.67 2.80 -0.00 0.89 1.43 -1.26 0.33 118.68 119.19 2jrj s LEU 39 Ca 0.38 -0.25 -0.25 0.00 -1.03 0.00 0.00 54.13 52.97 2jrj s LEU 39 Cb -0.10 -1.61 0.06 0.00 0.03 0.00 0.00 46.19 44.57 2jrj s LEU 39 CO 0.31 0.30 0.56 -1.48 0.23 0.00 0.00 176.35 176.27 2jrj s LEU 40 N -1.11 -0.21 1.03 1.79 0.05 -1.03 -4.95 118.68 114.26 2jrj s LEU 40 Ca 0.14 0.39 -0.12 0.00 0.05 0.00 0.00 54.13 54.59 2jrj s LEU 40 Cb -0.11 2.19 0.21 0.00 -2.05 0.00 0.00 46.19 46.43 2jrj s LEU 40 CO 0.04 -0.64 1.07 -1.38 -0.55 0.00 0.00 176.35 174.89 2jrj s HIS 41 N -1.77 1.85 0.10 3.48 0.00 -1.26 0.19 115.29 117.88 2jrj s HIS 41 Ca -0.09 1.17 -0.33 0.00 -3.00 0.00 0.00 55.06 52.81 2jrj s HIS 41 Cb -0.01 -3.19 -0.13 0.00 -4.00 0.00 0.00 32.58 25.25 2jrj s HIS 41 CO 0.04 -3.13 1.53 0.00 -1.00 0.00 0.00 174.74 172.18 2jrj h ARG 42 N -2.08 -0.64 -0.53 -0.38 2.47 -1.97 -0.80 114.38 110.46 2jrj h ARG 42 Ca -0.55 0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.13 2jrj h ARG 42 Cb 1.32 0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 29.76 2jrj h ARG 42 CO 0.53 -0.43 -0.00 1.15 0.56 0.00 0.00 179.97 181.78 2jrj h THR 43 N -0.67 1.26 0.00 2.04 2.02 -1.98 -2.53 112.91 113.06 2jrj h THR 43 Ca 0.01 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 2jrj h THR 43 Cb 0.70 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2jrj h THR 43 CO -0.33 0.39 -0.03 0.00 0.37 0.00 0.00 175.52 175.93 2jrj h TYR 45 N 0.00 0.14 -0.36 0.00 3.20 -0.70 -1.06 116.97 118.18 2jrj h TYR 45 Ca -0.00 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 2jrj h TYR 45 Cb 0.06 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2jrj h TYR 45 CO 0.00 0.08 0.02 0.93 -1.64 0.00 0.00 178.16 177.56 2jrj h GLU 46 N 0.16 0.63 0.04 1.82 5.08 -1.05 -0.69 114.58 120.58 2jrj h GLU 46 Ca 0.05 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2jrj h GLU 46 Cb -0.00 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2jrj h GLU 46 CO -0.03 0.72 -0.11 0.93 -1.00 0.00 0.00 179.01 179.53 2jrj h GLU 47 N 0.45 -0.20 -0.04 2.33 5.08 -1.14 0.36 114.58 121.43 2jrj h GLU 47 Ca 0.11 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2jrj h GLU 47 Cb 0.42 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2jrj h GLU 47 CO 0.01 -0.13 0.01 1.98 -1.00 0.00 0.00 179.01 179.88 2jrj h MET 48 N -0.21 0.07 -0.10 2.33 4.05 -1.19 -2.98 114.93 116.91 2jrj h MET 48 Ca 0.03 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2jrj h MET 48 Cb 0.23 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 2jrj h MET 48 CO -0.08 0.30 -0.05 1.25 0.23 0.00 0.00 176.91 178.56 2jrj h LEU 49 N -0.17 0.12 -0.75 3.39 5.85 -0.95 0.41 115.31 123.21 2jrj h LEU 49 Ca 0.01 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2jrj h LEU 49 Cb 0.26 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2jrj h LEU 49 CO 0.00 0.20 0.27 0.50 -0.34 0.00 0.00 178.44 179.07 2jrj h LYS 50 N 0.14 1.14 -0.02 1.25 3.64 -0.12 -2.72 116.57 119.87 2jrj h LYS 50 Ca 0.03 -0.22 -0.23 0.00 -1.27 0.00 0.00 60.65 58.96 2jrj h LYS 50 Cb 0.18 -0.18 0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2jrj h LYS 50 CO 0.01 0.95 -0.87 0.93 -2.27 0.00 0.00 179.45 178.19 2jrj h GLU 51 N 1.09 0.62 -5.81 1.90 5.08 -1.28 -3.48 114.58 112.70 2jrj h GLU 51 Ca 0.25 -0.65 -0.37 0.00 -1.00 0.00 0.00 59.36 57.59 2jrj h GLU 51 Cb 0.26 0.18 0.13 0.00 0.50 0.00 0.00 28.75 29.82 2jrj h GLU 51 CO -0.01 1.25 -0.75 0.41 -1.00 0.00 0.00 179.01 178.91 2jrj n GLY 52 N 1.04 -0.43 2.29 -3.84 0.00 0.06 -5.01 105.19 99.31 2jrj n GLY 52 Ca -0.10 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.49 -2.10 -1.55 1.61 4.11 -1.26 -5.01 117.16 108.47 2jrj n TYR 53 Ca -0.17 -1.29 -0.46 0.00 -0.00 0.00 0.00 57.90 55.99 2jrj n TYR 53 Cb 0.62 -0.31 -0.04 0.00 -0.00 0.00 0.00 39.34 39.61 2jrj n TYR 53 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 2jrj n ARG 54 N -1.60 1.69 -1.82 -3.48 1.85 -1.26 -4.87 116.66 107.16 2jrj n ARG 54 Ca 0.06 0.47 -0.40 0.00 -1.00 0.00 0.00 57.85 56.98 2jrj n ARG 54 Cb 0.36 -2.96 -0.03 0.00 -1.05 0.00 0.00 32.46 28.78 2jrj n ARG 54 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jrj h PRO 56 N 15.39 0.00 0.00 0.00 0.13 -1.98 0.92 132.00 146.46 2jrj h PRO 56 Ca -0.31 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2jrj h PRO 56 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jrj h PRO 56 CO 1.09 0.00 -0.02 -0.07 -0.23 0.00 0.00 178.00 178.77 2jrj h LEU 57 N 0.00 0.00 -0.55 1.56 4.07 -1.91 0.35 115.31 118.83 2jrj h LEU 57 Ca 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.92 2jrj h LEU 57 Cb 0.06 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 2jrj h LEU 57 CO -0.00 0.02 0.16 0.00 -1.08 0.00 0.00 178.44 177.54 2jrj n MET 59 N -4.44 1.10 -1.19 0.00 2.81 -0.65 -4.92 117.12 109.84 2jrj n MET 59 Ca 0.02 -0.72 -0.07 0.00 -1.81 0.00 0.00 57.70 55.13 2jrj n MET 59 Cb 0.21 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 2jrj n MET 59 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2jrj n HIS 60 N -0.32 0.00 -0.02 2.03 -0.00 0.11 -5.12 115.22 111.89 2jrj n HIS 60 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 2jrj n HIS 60 Cb 0.38 -1.95 0.00 0.00 -0.00 0.00 0.00 29.99 28.42 2jrj n HIS 60 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21