#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 6.91 0.08 -1.84 4.22 -1.26 -5.04 114.94 118.01 2jrj s ASN 11 Ca 0.00 2.55 0.07 0.00 -2.14 0.00 0.00 52.86 53.35 2jrj s ASN 11 Cb 0.00 -2.64 -0.03 0.00 1.28 0.00 0.00 41.25 39.86 2jrj s ASN 11 CO 0.00 -0.43 -0.20 0.68 -2.04 0.00 0.00 177.10 175.11 2jrj s VAL 12 N -1.03 1.61 -0.24 3.54 -7.23 -1.26 -5.03 120.40 110.76 2jrj s VAL 12 Ca 0.48 -1.38 0.14 0.00 -1.81 0.00 0.00 61.98 59.41 2jrj s VAL 12 Cb -0.37 -1.45 0.68 0.00 0.56 0.00 0.00 36.38 35.80 2jrj s VAL 12 CO 0.48 0.01 1.63 -0.24 -0.31 0.00 0.00 175.10 176.68 2jrj n SER 13 N 1.39 4.70 -4.71 4.85 2.88 -1.26 -4.97 113.62 116.50 2jrj n SER 13 Ca -0.19 -3.08 -0.29 0.00 -1.33 0.00 0.00 58.87 53.98 2jrj n SER 13 Cb 0.54 -0.65 -0.09 0.00 -0.75 0.00 0.00 64.21 63.26 2jrj n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jrj s GLN 14 N -2.88 2.11 0.70 -1.46 -2.07 -1.26 -5.15 119.66 109.64 2jrj s GLN 14 Ca 0.50 -2.18 -0.04 0.00 -1.82 0.00 0.00 55.36 51.82 2jrj s GLN 14 Cb 0.40 -1.68 0.08 0.00 -1.09 0.00 0.00 33.01 30.72 2jrj s GLN 14 CO 0.12 -0.21 0.98 -0.65 -1.32 0.00 0.00 175.29 174.21 2jrj s GLN 15 N -3.84 2.01 0.13 9.60 1.11 -1.21 -5.07 119.66 122.39 2jrj s GLN 15 Ca 0.25 -0.59 -0.13 0.00 0.01 0.00 0.00 55.36 54.90 2jrj s GLN 15 Cb 0.05 -2.25 0.02 0.00 -1.01 0.00 0.00 33.01 29.82 2jrj s GLN 15 CO 0.13 -1.27 0.33 0.54 0.01 0.00 0.00 175.29 175.03 2jrj s ASN 16 N -4.58 -0.08 -0.36 5.90 2.20 -1.26 -3.72 114.94 113.04 2jrj s ASN 16 Ca 0.62 -0.53 -0.07 0.00 -0.94 0.00 0.00 52.86 51.94 2jrj s ASN 16 Cb -0.09 0.44 0.05 0.00 -2.00 0.00 0.00 41.25 39.65 2jrj s ASN 16 CO 0.44 -0.85 0.15 0.00 -2.94 0.00 0.00 177.10 173.91 2jrj n PRO 18 N 4.83 0.23 0.27 0.00 -0.04 -1.26 0.02 135.00 139.06 2jrj n PRO 18 Ca -0.11 0.35 0.14 0.00 -0.04 0.00 0.00 63.50 63.84 2jrj n PRO 18 Cb 0.44 -1.87 0.78 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.48 0.00 0.52 1.08 -1.97 -3.35 117.51 114.27 2jrj h ILE 19 Ca 0.00 -0.44 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 2jrj h ILE 19 Cb 0.52 1.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 2jrj h ILE 19 CO 0.00 0.09 0.00 0.00 -0.69 0.00 0.00 178.15 177.55 2jrj n LEU 21 N 0.00 -6.43 -3.61 0.00 4.32 0.10 -5.07 117.00 106.31 2jrj n LEU 21 Ca 0.00 1.51 -0.10 0.00 -0.02 0.00 0.00 56.01 57.40 2jrj n LEU 21 Cb 0.47 -2.88 -0.02 0.00 -1.62 0.00 0.00 43.42 39.37 2jrj n LEU 21 CO 0.00 -3.18 0.43 -0.70 -1.22 0.00 0.00 177.39 172.72 2jrj s GLU 22 N -1.07 1.50 0.23 3.23 -6.30 -1.06 -4.95 118.70 110.28 2jrj s GLU 22 Ca -0.09 -0.70 -0.30 0.00 -2.50 0.00 0.00 54.97 51.39 2jrj s GLU 22 Cb 0.01 0.60 -0.09 0.00 0.00 0.00 0.00 34.13 34.65 2jrj s GLU 22 CO 0.59 -0.67 1.14 0.34 0.02 0.00 0.00 175.26 176.67 2jrj s ASP 23 N -2.82 7.19 0.01 -1.70 2.15 -1.26 -0.28 116.67 119.96 2jrj s ASP 23 Ca 0.05 2.23 -0.02 0.00 0.43 0.00 0.00 52.55 55.25 2jrj s ASP 23 Cb -0.03 -2.62 -0.01 0.00 -0.30 0.00 0.00 42.92 39.96 2jrj s ASP 23 CO -0.04 -0.24 0.01 -0.63 -0.17 0.00 0.00 175.17 174.10 2jrj s ILE 24 N -0.62 0.09 0.19 4.11 1.01 -1.24 -4.72 121.20 120.02 2jrj s ILE 24 Ca 0.48 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.43 2jrj s ILE 24 Cb -0.32 -0.26 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 2jrj s ILE 24 CO 0.39 -0.39 0.03 -2.28 0.00 0.00 0.00 174.94 172.69 2jrj s HIS 25 N -1.20 1.29 0.29 3.97 5.65 -1.26 -3.32 115.29 120.71 2jrj s HIS 25 Ca -0.13 -1.07 0.19 0.00 0.25 0.00 0.00 55.06 54.30 2jrj s HIS 25 Cb -0.08 -0.74 1.04 0.00 -1.18 0.00 0.00 32.58 31.62 2jrj s HIS 25 CO -0.00 -0.26 1.53 1.15 -0.65 0.00 0.00 174.74 176.50 2jrj h THR 26 N 2.62 0.00 -0.11 0.89 2.02 -2.01 -3.41 112.91 112.90 2jrj h THR 26 Ca -0.37 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.67 2jrj h THR 26 Cb 1.22 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 2jrj h THR 26 CO 0.62 0.00 0.96 -1.20 0.37 0.00 0.00 175.52 176.27 2jrj n SER 27 N -2.39 -0.20 -0.03 4.18 7.64 -1.26 -4.69 113.62 116.87 2jrj n SER 27 Ca -0.01 -1.26 0.15 0.00 1.01 0.00 0.00 58.87 58.76 2jrj n SER 27 Cb 0.37 -1.05 0.74 0.00 -1.01 0.00 0.00 64.21 63.26 2jrj n SER 27 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2jrj n ARG 28 N 6.67 0.54 0.12 1.43 0.63 -1.26 -0.84 116.66 123.95 2jrj n ARG 28 Ca 0.46 -0.05 -0.19 0.00 -0.92 0.00 0.00 57.85 57.14 2jrj n ARG 28 Cb 0.34 -1.50 -0.15 0.00 0.45 0.00 0.00 32.46 31.60 2jrj n ARG 28 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2jrj h VAL 29 N 0.13 1.40 0.00 5.15 2.07 -1.96 -3.39 116.25 119.65 2jrj h VAL 29 Ca 0.00 -2.92 -0.11 0.00 0.82 0.00 0.00 66.70 64.49 2jrj h VAL 29 Cb 0.28 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 2jrj h VAL 29 CO 0.00 0.86 -0.81 0.58 0.02 0.00 0.00 177.57 178.22 2jrj h VAL 30 N 0.10 0.57 -3.03 2.57 2.07 -1.92 -3.45 116.25 113.16 2jrj h VAL 30 Ca -0.19 -1.67 -0.57 0.00 0.82 0.00 0.00 66.70 65.09 2jrj h VAL 30 Cb 2.05 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 33.09 2jrj h VAL 30 CO 0.23 0.19 0.92 0.00 0.02 0.00 0.00 177.57 178.94 2jrj s ALA 31 N -2.50 3.54 0.06 1.67 0.00 -0.02 -4.68 121.76 119.83 2jrj s ALA 31 Ca -0.21 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 51.72 2jrj s ALA 31 Cb 0.03 -3.68 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 2jrj s ALA 31 CO 0.42 -1.42 1.41 -1.58 0.00 0.00 0.00 175.76 174.59 2jrj s HIS 32 N 3.85 3.01 -0.28 0.00 2.46 0.18 -4.43 115.29 120.09 2jrj s HIS 32 Ca 0.54 0.85 -0.22 0.00 0.47 0.00 0.00 55.06 56.71 2jrj s HIS 32 Cb -0.19 -3.69 -0.01 0.00 -0.13 0.00 0.00 32.58 28.56 2jrj s HIS 32 CO 0.17 -2.51 0.70 0.54 -2.47 0.00 0.00 174.74 171.17 2jrj s VAL 33 N 1.77 4.90 0.63 0.89 0.11 -1.26 -1.53 120.40 125.92 2jrj s VAL 33 Ca 0.65 1.13 -0.18 0.00 -2.93 0.00 0.00 61.98 60.65 2jrj s VAL 33 Cb -0.35 -4.03 -0.02 0.00 -1.53 0.00 0.00 36.38 30.46 2jrj s VAL 33 CO 0.29 -0.10 1.25 -0.76 -3.33 0.00 0.00 175.10 172.45 2jrj s LEU 34 N 2.69 3.59 0.19 2.54 1.43 0.22 -4.89 118.68 124.45 2jrj s LEU 34 Ca 0.29 2.49 0.12 0.00 -1.03 0.00 0.00 54.13 55.99 2jrj s LEU 34 Cb -0.15 -4.61 0.65 0.00 0.03 0.00 0.00 46.19 42.11 2jrj s LEU 34 CO 0.10 -1.84 1.35 -2.65 0.23 0.00 0.00 176.35 173.54 2jrj n PRO 35 N -1.83 0.08 -0.21 1.29 -0.02 -1.26 -0.39 135.00 132.65 2jrj n PRO 35 Ca 0.15 0.57 0.11 0.00 -2.02 0.00 0.00 63.50 62.30 2jrj n PRO 35 Cb 0.49 -1.78 0.26 0.00 -0.02 0.00 0.00 33.50 32.45 2jrj n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jrj n GLY 37 N 1.44 0.66 3.85 0.00 0.00 0.47 -5.05 105.19 106.56 2jrj n GLY 37 Ca 0.19 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 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 3.24 -0.08 1.61 3.76 -1.24 -4.88 115.29 115.70 2jrj s HIS 38 Ca 0.00 -0.02 0.02 0.00 -0.15 0.00 0.00 55.06 54.91 2jrj s HIS 38 Cb 0.00 -1.52 -0.02 0.00 1.11 0.00 0.00 32.58 32.15 2jrj s HIS 38 CO 0.00 0.51 -0.13 -0.51 -0.85 0.00 0.00 174.74 173.76 2jrj s LEU 39 N -3.43 2.78 0.10 0.89 1.43 -1.26 0.70 118.68 119.89 2jrj s LEU 39 Ca 0.32 -0.21 -0.22 0.00 -1.03 0.00 0.00 54.13 53.00 2jrj s LEU 39 Cb -0.10 -1.59 0.06 0.00 0.03 0.00 0.00 46.19 44.59 2jrj s LEU 39 CO 0.25 0.30 0.53 -1.48 0.23 0.00 0.00 176.35 176.18 2jrj s LEU 40 N -0.42 -0.18 0.89 1.79 0.05 -0.58 -4.94 118.68 115.28 2jrj s LEU 40 Ca 0.05 0.03 -0.12 0.00 0.05 0.00 0.00 54.13 54.15 2jrj s LEU 40 Cb -0.12 2.25 0.12 0.00 -2.05 0.00 0.00 46.19 46.39 2jrj s LEU 40 CO 0.02 -0.83 1.10 -1.38 -0.55 0.00 0.00 176.35 174.71 2jrj s HIS 41 N -3.14 2.47 0.07 3.48 0.00 -1.26 0.49 115.29 117.40 2jrj s HIS 41 Ca -0.02 1.10 -0.20 0.00 -3.00 0.00 0.00 55.06 52.94 2jrj s HIS 41 Cb -0.00 -3.21 -0.08 0.00 -4.00 0.00 0.00 32.58 25.29 2jrj s HIS 41 CO -0.07 -2.29 1.33 0.00 -1.00 0.00 0.00 174.74 172.71 2jrj h ARG 42 N -1.46 -0.36 -0.82 -0.38 2.47 -1.95 0.13 114.38 112.01 2jrj h ARG 42 Ca -0.50 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 2jrj h ARG 42 Cb 1.30 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 29.66 2jrj h ARG 42 CO 0.58 -0.24 0.51 1.15 0.56 0.00 0.00 179.97 182.53 2jrj h THR 43 N -0.37 1.22 0.00 2.04 2.02 -1.99 0.22 112.91 116.05 2jrj h THR 43 Ca 0.01 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 2jrj h THR 43 Cb 0.42 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 2jrj h THR 43 CO -0.24 0.23 -0.09 0.00 0.37 0.00 0.00 175.52 175.79 2jrj h TYR 45 N 0.00 0.59 0.00 0.00 3.20 0.12 -0.92 116.97 119.96 2jrj h TYR 45 Ca -0.00 -0.20 -0.06 0.00 3.14 0.00 0.00 58.73 61.61 2jrj h TYR 45 Cb 0.19 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2jrj h TYR 45 CO 0.00 0.89 -0.27 0.93 -1.64 0.00 0.00 178.16 178.07 2jrj h GLU 46 N 0.12 0.00 0.06 1.82 5.08 0.09 0.95 114.58 122.70 2jrj h GLU 46 Ca 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2jrj h GLU 46 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2jrj h GLU 46 CO 0.06 0.27 -0.03 0.93 -1.00 0.00 0.00 179.01 179.24 2jrj h GLU 47 N 0.00 -0.08 0.39 2.33 5.08 -0.67 -2.89 114.58 118.74 2jrj h GLU 47 Ca -0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2jrj h GLU 47 Cb 0.56 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2jrj h GLU 47 CO 0.04 0.49 -0.19 1.98 -1.00 0.00 0.00 179.01 180.33 2jrj h MET 48 N -0.74 -0.50 0.00 2.33 4.05 -0.91 -2.78 114.93 116.38 2jrj h MET 48 Ca -0.01 0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 2jrj h MET 48 Cb 0.61 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.52 2jrj h MET 48 CO 0.01 -0.27 -0.07 1.25 0.23 0.00 0.00 176.91 178.07 2jrj h LEU 49 N -0.63 0.00 -0.86 3.39 5.85 -0.98 0.18 115.31 122.26 2jrj h LEU 49 Ca -0.05 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2jrj h LEU 49 Cb 0.46 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 2jrj h LEU 49 CO 0.09 0.07 0.48 0.50 -0.34 0.00 0.00 178.44 179.24 2jrj h LYS 50 N 0.00 1.19 0.05 1.25 3.64 -1.27 -3.07 116.57 118.36 2jrj h LYS 50 Ca -0.00 -0.14 -0.30 0.00 -1.27 0.00 0.00 60.65 58.94 2jrj h LYS 50 Cb 0.14 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 2jrj h LYS 50 CO 0.01 0.87 -1.68 0.93 -2.27 0.00 0.00 179.45 177.31 2jrj h GLU 51 N 1.19 0.10 -2.74 1.90 4.39 -1.15 -3.48 114.58 114.79 2jrj h GLU 51 Ca 0.30 -0.17 -0.39 0.00 0.34 0.00 0.00 59.36 59.44 2jrj h GLU 51 Cb 0.02 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2jrj h GLU 51 CO -0.05 0.80 -0.50 0.41 -1.16 0.00 0.00 179.01 178.51 2jrj n GLY 52 N 1.65 -0.42 3.93 -3.84 0.00 0.54 -4.98 105.19 102.07 2jrj n GLY 52 Ca -0.18 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 2jrj n GLY 52 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jrj s TYR 53 N -2.96 2.25 0.34 1.61 1.13 -1.26 -5.00 117.35 113.45 2jrj s TYR 53 Ca 0.00 0.40 -0.29 0.00 -1.41 0.00 0.00 57.07 55.77 2jrj s TYR 53 Cb 0.00 -3.62 -0.12 0.00 -1.10 0.00 0.00 41.96 37.12 2jrj s TYR 53 CO 0.00 -2.04 1.41 2.89 -2.51 0.00 0.00 175.55 175.30 2jrj n ARG 54 N -3.36 2.37 -3.02 -3.49 0.00 -1.26 -4.94 116.66 102.97 2jrj n ARG 54 Ca 0.12 0.83 -0.43 0.00 -0.00 0.00 0.00 57.85 58.37 2jrj n ARG 54 Cb 0.60 -2.50 -0.06 0.00 -0.00 0.00 0.00 32.46 30.51 2jrj n ARG 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jrj n PRO 56 N 6.68 0.17 0.00 0.00 -0.04 -1.26 -1.34 135.00 139.21 2jrj n PRO 56 Ca -0.02 0.57 0.11 0.00 -0.04 0.00 0.00 63.50 64.13 2jrj n PRO 56 Cb 0.47 -1.95 0.56 0.00 -0.04 0.00 0.00 33.50 32.54 2jrj n PRO 56 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jrj n LEU 57 N -2.29 0.00 0.05 1.53 4.32 -1.26 -2.08 117.00 117.27 2jrj n LEU 57 Ca -0.00 0.33 -0.09 0.00 -0.02 0.00 0.00 56.01 56.23 2jrj n LEU 57 Cb 0.11 -0.33 0.04 0.00 -1.62 0.00 0.00 43.42 41.62 2jrj n LEU 57 CO 0.14 -0.08 0.38 0.00 -1.22 0.00 0.00 177.39 176.61 2jrj h MET 59 N 0.28 0.05 -6.80 0.00 1.85 -1.61 -3.45 114.93 105.26 2jrj h MET 59 Ca -0.02 -0.04 -0.51 0.00 -0.61 0.00 0.00 59.70 58.51 2jrj h MET 59 Cb 1.26 0.01 0.03 0.00 0.43 0.00 0.00 31.60 33.33 2jrj h MET 59 CO 0.12 0.70 0.52 -1.58 -0.40 0.00 0.00 176.91 176.28 2jrj s HIS 60 N -3.57 3.44 -0.70 1.39 5.04 -1.10 -5.18 115.29 114.61 2jrj s HIS 60 Ca -0.17 1.59 0.06 0.00 -1.54 0.00 0.00 55.06 55.00 2jrj s HIS 60 Cb 0.01 -3.40 0.04 0.00 0.04 0.00 0.00 32.58 29.28 2jrj s HIS 60 CO 0.70 -0.94 0.68 0.43 -2.34 0.00 0.00 174.74 173.26