#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2c n VAL 2 N 0.00 1.65 -2.35 1.97 0.31 -1.26 -4.67 118.33 113.97 1b2c n VAL 2 Ca 0.00 -0.75 -0.42 0.00 -0.01 0.00 0.00 64.34 63.16 1b2c n VAL 2 Cb 0.00 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 1b2c n VAL 2 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1b2c n ASN 3 N -3.17 5.74 -2.49 4.52 3.02 -1.26 -4.86 115.26 116.75 1b2c n ASN 3 Ca -0.24 -3.16 -0.05 0.00 -0.03 0.00 0.00 54.58 51.10 1b2c n ASN 3 Cb 1.06 -1.43 0.02 0.00 -0.61 0.00 0.00 39.78 38.82 1b2c n ASN 3 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b2c n GLN 4 N 3.18 0.76 -2.65 3.52 10.64 -1.26 -5.12 117.38 126.45 1b2c n GLN 4 Ca 0.42 -1.53 -0.43 0.00 -1.83 0.00 0.00 57.00 53.63 1b2c n GLN 4 Cb 0.34 1.95 -0.02 0.00 -0.86 0.00 0.00 30.24 31.65 1b2c n GLN 4 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 1b2c s HIS 5 N -3.53 3.18 -0.23 2.61 3.76 -1.26 -5.01 115.29 114.82 1b2c s HIS 5 Ca 0.14 1.23 -0.00 0.00 -0.15 0.00 0.00 55.06 56.27 1b2c s HIS 5 Cb -0.03 -3.60 0.03 0.00 1.11 0.00 0.00 32.58 30.08 1b2c s HIS 5 CO 0.08 -0.71 -0.11 -0.51 -0.85 0.00 0.00 174.74 172.64 1b2c s LEU 6 N 3.55 2.95 0.09 0.89 1.43 -1.26 -5.01 118.68 121.32 1b2c s LEU 6 Ca 0.45 -0.89 0.06 0.00 -1.03 0.00 0.00 54.13 52.71 1b2c s LEU 6 Cb -0.13 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1b2c s LEU 6 CO 0.14 -0.10 -0.15 0.00 0.23 0.00 0.00 176.35 176.46 1b2c n GLY 8 N 0.98 3.37 0.27 0.00 0.00 -1.26 -1.68 105.19 106.86 1b2c n GLY 8 Ca -0.19 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 45.87 1b2c n GLY 8 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1b2c h SER 9 N 0.31 0.00 -0.27 1.61 4.64 -1.99 -1.84 113.55 116.01 1b2c h SER 9 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1b2c h SER 9 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1b2c h SER 9 CO 0.00 0.06 -0.27 0.45 -0.87 0.00 0.00 176.83 176.20 1b2c h HIS 10 N 0.00 0.88 -0.14 4.77 -0.00 -1.70 -0.74 115.15 118.21 1b2c h HIS 10 Ca -0.00 -0.22 -0.14 0.00 -0.00 0.00 0.00 60.37 60.02 1b2c h HIS 10 Cb 0.14 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.35 1b2c h HIS 10 CO 0.00 0.95 -0.44 1.25 -0.00 0.00 0.00 177.93 179.69 1b2c h LEU 11 N 0.66 0.63 -1.01 2.43 5.85 -1.31 -2.77 115.31 119.79 1b2c h LEU 11 Ca 0.08 -0.60 0.02 0.00 0.84 0.00 0.00 57.88 58.22 1b2c h LEU 11 Cb 0.79 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1b2c h LEU 11 CO 0.07 1.12 0.67 0.58 -0.34 0.00 0.00 178.44 180.53 1b2c h VAL 12 N 0.18 1.24 -0.63 1.05 2.07 -1.33 -1.73 116.25 117.10 1b2c h VAL 12 Ca -0.01 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 1b2c h VAL 12 Cb 1.06 -0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1b2c h VAL 12 CO 0.09 0.25 0.14 -0.08 0.02 0.00 0.00 177.57 177.99 1b2c h GLU 13 N 1.35 1.02 -0.34 1.57 4.81 -1.12 -1.60 114.58 120.27 1b2c h GLU 13 Ca 0.38 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1b2c h GLU 13 Cb -0.13 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.11 1b2c h GLU 13 CO -0.09 0.93 0.15 0.00 -0.73 0.00 0.00 179.01 179.27 1b2c h ALA 14 N 1.05 0.44 -0.91 2.92 0.00 -1.12 -1.70 119.26 119.95 1b2c h ALA 14 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1b2c h ALA 14 Cb 0.37 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1b2c h ALA 14 CO 0.00 0.02 0.58 -0.07 0.00 0.00 0.00 179.25 179.78 1b2c h LEU 15 N 0.41 1.06 -0.35 0.00 3.38 -1.19 0.22 115.31 118.85 1b2c h LEU 15 Ca 0.12 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1b2c h LEU 15 Cb 0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1b2c h LEU 15 CO -0.01 0.79 0.22 0.22 0.09 0.00 0.00 178.44 179.75 1b2c h TYR 16 N 1.24 0.44 -0.29 1.13 3.20 -0.98 -0.01 116.97 121.70 1b2c h TYR 16 Ca 0.33 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 62.07 1b2c h TYR 16 Cb -0.10 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.02 1b2c h TYR 16 CO -0.00 0.29 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.38 1b2c h LEU 17 N 0.46 0.81 -0.05 2.82 3.38 -0.94 -2.77 115.31 119.02 1b2c h LEU 17 Ca 0.13 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 1b2c h LEU 17 Cb -0.04 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1b2c h LEU 17 CO -0.03 1.14 -0.13 0.58 0.09 0.00 0.00 178.44 180.10 1b2c h VAL 18 N 0.50 1.45 0.00 1.22 2.07 -0.87 -3.33 116.25 117.29 1b2c h VAL 18 Ca 0.04 -1.51 -0.12 0.00 0.82 0.00 0.00 66.70 65.92 1b2c h VAL 18 Cb 0.94 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 1b2c h VAL 18 CO 0.08 0.42 -0.58 0.00 0.02 0.00 0.00 177.57 177.51 1b2c n GLY 20 N 0.40 3.32 0.01 0.00 0.00 -1.05 -2.32 105.19 105.56 1b2c n GLY 20 Ca -0.01 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 45.88 1b2c n GLY 20 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b2c n GLU 21 N 14.00 0.01 0.09 1.61 -0.58 -1.26 -1.98 120.64 132.53 1b2c n GLU 21 Ca 0.00 0.30 -0.06 0.00 -0.42 0.00 0.00 57.16 56.99 1b2c n GLU 21 Cb 0.00 -1.53 0.08 0.00 -0.57 0.00 0.00 31.44 29.42 1b2c n GLU 21 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b2c h ARG 22 N 0.00 0.17 0.00 3.49 3.08 -1.87 -3.49 114.38 115.76 1b2c h ARG 22 Ca 0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1b2c h ARG 22 Cb 0.22 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1b2c h ARG 22 CO 0.00 0.81 0.00 0.41 -1.07 0.00 0.00 179.97 180.12 1b2c n GLY 23 N 0.49 -2.28 3.83 0.04 0.00 -0.84 -5.07 105.19 101.36 1b2c n GLY 23 Ca -0.02 -1.56 -0.06 0.00 0.00 0.00 0.00 46.02 44.37 1b2c n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1b2c s PHE 24 N -0.46 -0.03 -0.04 1.61 -0.71 -1.26 -4.78 117.98 112.30 1b2c s PHE 24 Ca 0.00 -0.46 0.04 0.00 -1.04 0.00 0.00 56.93 55.47 1b2c s PHE 24 Cb 0.00 0.74 -0.00 0.00 -1.21 0.00 0.00 43.02 42.55 1b2c s PHE 24 CO 0.00 -1.23 -0.16 -0.59 -1.34 0.00 0.00 175.22 171.90 1b2c s PHE 25 N -2.99 1.62 -0.26 3.49 -0.71 -1.26 -5.12 117.98 112.76 1b2c s PHE 25 Ca 0.14 -0.46 -0.01 0.00 -1.04 0.00 0.00 56.93 55.56 1b2c s PHE 25 Cb -0.04 -1.10 0.03 0.00 -1.21 0.00 0.00 43.02 40.70 1b2c s PHE 25 CO 0.07 -0.16 -0.05 -0.47 -1.34 0.00 0.00 175.22 173.27 1b2c s TYR 26 N 0.07 3.12 -0.40 3.49 5.04 -1.26 -5.07 117.35 122.33 1b2c s TYR 26 Ca -0.04 -1.65 0.02 0.00 -2.44 0.00 0.00 57.07 52.96 1b2c s TYR 26 Cb -0.11 -2.06 0.12 0.00 0.35 0.00 0.00 41.96 40.25 1b2c s TYR 26 CO 0.02 -0.75 0.17 0.99 -1.34 0.00 0.00 175.55 174.64 1b2c s THR 27 N 1.30 1.65 0.24 4.34 2.01 -1.26 -4.98 115.64 118.94 1b2c s THR 27 Ca -0.01 -2.38 -0.06 0.00 0.31 0.00 0.00 61.69 59.55 1b2c s THR 27 Cb -0.17 -2.18 0.21 0.00 0.01 0.00 0.00 72.50 70.36 1b2c s THR 27 CO -0.04 -0.77 1.86 -0.65 -0.69 0.00 0.00 174.62 174.33 1b2c h PRO 28 N 7.17 1.21 -3.77 4.92 0.11 -2.05 -3.34 132.00 136.25 1b2c h PRO 28 Ca -0.06 -0.14 -0.79 0.00 0.11 0.00 0.00 66.00 65.12 1b2c h PRO 28 Cb 0.96 -0.23 -0.27 0.00 0.11 0.00 0.00 31.00 31.57 1b2c h PRO 28 CO 0.52 0.89 0.12 0.15 -0.21 0.00 0.00 178.00 179.47 1b2c s LYS 29 N -5.78 3.63 0.00 1.05 3.01 -1.26 -5.26 119.74 115.13 1b2c s LYS 29 Ca -0.12 -2.59 0.00 0.00 -1.01 0.00 0.00 55.97 52.25 1b2c s LYS 29 Cb 0.17 -4.41 0.00 0.00 -1.01 0.00 0.00 37.83 32.58 1b2c s LYS 29 CO 0.82 -1.28 0.00 0.00 0.51 0.00 0.00 175.35 175.41