#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i40 n VAL 2 N 0.00 0.06 -2.62 1.97 0.24 -1.26 -4.59 118.33 112.13 3i40 n VAL 2 Ca 0.00 -0.13 -0.42 0.00 -2.04 0.00 0.00 64.34 61.75 3i40 n VAL 2 Cb 0.00 0.49 0.01 0.00 -1.47 0.00 0.00 33.84 32.87 3i40 n VAL 2 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3i40 n ASN 3 N -1.73 6.67 -3.29 -1.34 4.13 -1.26 -4.91 115.26 113.54 3i40 n ASN 3 Ca 0.03 -3.39 -0.05 0.00 1.68 0.00 0.00 54.58 52.85 3i40 n ASN 3 Cb 0.39 -1.30 0.01 0.00 -1.54 0.00 0.00 39.78 37.34 3i40 n ASN 3 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i40 s GLN 4 N -2.35 1.65 -0.07 3.52 -2.07 -1.26 -5.12 119.66 113.95 3i40 s GLN 4 Ca 0.38 -1.04 -0.30 0.00 -1.82 0.00 0.00 55.36 52.59 3i40 s GLN 4 Cb 0.12 0.48 -0.04 0.00 -1.09 0.00 0.00 33.01 32.48 3i40 s GLN 4 CO -0.01 -0.77 1.36 -1.01 -1.32 0.00 0.00 175.29 173.55 3i40 s HIS 5 N -2.46 2.76 -0.19 9.60 3.76 -1.26 -4.99 115.29 122.50 3i40 s HIS 5 Ca 0.18 0.84 0.01 0.00 -0.15 0.00 0.00 55.06 55.94 3i40 s HIS 5 Cb -0.04 -3.61 0.04 0.00 1.11 0.00 0.00 32.58 30.08 3i40 s HIS 5 CO 0.07 -2.24 -0.10 -0.51 -0.85 0.00 0.00 174.74 171.11 3i40 s LEU 6 N 3.02 2.16 0.08 0.89 1.43 -1.26 -5.01 118.68 119.99 3i40 s LEU 6 Ca 0.61 -0.84 0.07 0.00 -1.03 0.00 0.00 54.13 52.94 3i40 s LEU 6 Cb -0.27 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 3i40 s LEU 6 CO 0.22 -0.15 -0.20 0.00 0.23 0.00 0.00 176.35 176.46 3i40 n GLY 8 N 1.32 3.48 0.26 0.00 0.00 -1.26 -1.89 105.19 107.10 3i40 n GLY 8 Ca -0.19 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 45.88 3i40 n GLY 8 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i40 h SER 9 N 0.00 0.00 -0.69 1.61 4.64 -1.99 -1.25 113.55 115.87 3i40 h SER 9 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3i40 h SER 9 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3i40 h SER 9 CO 0.00 0.10 0.18 0.45 -0.87 0.00 0.00 176.83 176.69 3i40 h HIS 10 N 0.00 1.15 -0.16 4.77 -0.00 -1.75 -0.30 115.15 118.87 3i40 h HIS 10 Ca -0.00 -0.13 -0.07 0.00 -0.00 0.00 0.00 60.37 60.16 3i40 h HIS 10 Cb 0.23 -0.33 -0.00 0.00 -0.00 0.00 0.00 27.41 27.31 3i40 h HIS 10 CO 0.00 0.94 -0.18 1.25 -0.00 0.00 0.00 177.93 179.93 3i40 h LEU 11 N 1.03 0.44 -1.06 2.43 5.85 -1.27 -2.31 115.31 120.43 3i40 h LEU 11 Ca 0.22 -0.50 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 3i40 h LEU 11 Cb 0.35 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3i40 h LEU 11 CO 0.00 0.85 0.16 0.58 -0.34 0.00 0.00 178.44 179.69 3i40 h VAL 12 N 0.04 1.22 -0.49 1.05 2.07 -1.33 -1.01 116.25 117.79 3i40 h VAL 12 Ca 0.02 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 3i40 h VAL 12 Cb 0.73 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3i40 h VAL 12 CO 0.04 0.29 0.14 -0.08 0.02 0.00 0.00 177.57 177.99 3i40 h GLU 13 N 0.81 0.78 -0.40 1.57 4.81 -1.01 -1.03 114.58 120.11 3i40 h GLU 13 Ca 0.18 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3i40 h GLU 13 Cb 0.25 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3i40 h GLU 13 CO -0.01 0.74 0.20 0.00 -0.73 0.00 0.00 179.01 179.21 3i40 h ALA 14 N 1.01 0.52 -0.64 2.92 0.00 -0.97 -1.08 119.26 121.00 3i40 h ALA 14 Ca 0.16 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3i40 h ALA 14 Cb 0.29 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3i40 h ALA 14 CO -0.00 0.07 0.36 -0.07 0.00 0.00 0.00 179.25 179.61 3i40 h LEU 15 N 0.51 0.54 -0.29 0.00 3.38 -1.06 0.32 115.31 118.71 3i40 h LEU 15 Ca 0.14 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3i40 h LEU 15 Cb 0.11 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3i40 h LEU 15 CO -0.02 0.36 0.19 0.22 0.09 0.00 0.00 178.44 179.28 3i40 h TYR 16 N 0.68 0.36 -0.47 1.13 3.20 -0.91 -0.15 116.97 120.80 3i40 h TYR 16 Ca 0.28 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.08 3i40 h TYR 16 Cb 0.16 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 3i40 h TYR 16 CO -0.08 0.23 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.57 3i40 h LEU 17 N 0.39 0.84 -0.20 2.82 3.38 -0.82 -2.69 115.31 119.03 3i40 h LEU 17 Ca 0.11 -0.32 -0.15 0.00 0.09 0.00 0.00 57.88 57.61 3i40 h LEU 17 Cb -0.04 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3i40 h LEU 17 CO -0.03 0.96 -0.46 0.58 0.09 0.00 0.00 178.44 179.58 3i40 h VAL 18 N 0.70 1.32 0.00 1.22 2.07 -0.83 -3.33 116.25 117.40 3i40 h VAL 18 Ca 0.13 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.96 3i40 h VAL 18 Cb 0.54 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 3i40 h VAL 18 CO 0.03 0.53 -0.40 0.00 0.02 0.00 0.00 177.57 177.74 3i40 n GLY 20 N 1.15 2.68 0.00 0.00 0.00 -1.01 -1.84 105.19 106.17 3i40 n GLY 20 Ca 0.03 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.91 3i40 n GLY 20 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i40 n GLU 21 N 14.00 0.44 0.06 1.61 0.28 -1.26 -1.92 120.64 133.85 3i40 n GLU 21 Ca 0.00 0.05 -0.03 0.00 -0.16 0.00 0.00 57.16 57.02 3i40 n GLU 21 Cb 0.00 -1.50 0.20 0.00 1.43 0.00 0.00 31.44 31.57 3i40 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i40 h ARG 22 N 0.00 0.33 0.00 3.44 3.08 -1.78 -3.49 114.38 115.96 3i40 h ARG 22 Ca 0.00 -0.16 0.04 0.00 0.07 0.00 0.00 59.98 59.93 3i40 h ARG 22 Cb 0.17 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3i40 h ARG 22 CO 0.00 0.67 -0.05 0.41 -1.07 0.00 0.00 179.97 179.94 3i40 n GLY 23 N -0.18 -1.97 3.82 0.04 0.00 -0.81 -5.05 105.19 101.04 3i40 n GLY 23 Ca -0.01 -1.37 -0.08 0.00 0.00 0.00 0.00 46.02 44.55 3i40 n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i40 s PHE 24 N -0.50 -0.04 -0.04 1.61 -0.71 -1.26 -4.81 117.98 112.23 3i40 s PHE 24 Ca 0.00 -0.48 0.06 0.00 -1.04 0.00 0.00 56.93 55.47 3i40 s PHE 24 Cb 0.00 0.71 -0.01 0.00 -1.21 0.00 0.00 43.02 42.50 3i40 s PHE 24 CO 0.00 -1.33 -0.23 -0.59 -1.34 0.00 0.00 175.22 171.74 3i40 s PHE 25 N -3.41 2.16 -0.27 3.49 -0.71 -1.26 -5.11 117.98 112.88 3i40 s PHE 25 Ca 0.13 -0.58 0.00 0.00 -1.04 0.00 0.00 56.93 55.44 3i40 s PHE 25 Cb -0.05 -1.42 0.05 0.00 -1.21 0.00 0.00 43.02 40.38 3i40 s PHE 25 CO 0.09 -0.16 -0.06 -0.47 -1.34 0.00 0.00 175.22 173.28 3i40 s TYR 26 N -0.21 3.19 -0.46 3.49 6.14 -1.26 -5.05 117.35 123.19 3i40 s TYR 26 Ca -0.00 -1.94 0.02 0.00 0.64 0.00 0.00 57.07 55.79 3i40 s TYR 26 Cb -0.12 -2.02 0.14 0.00 0.42 0.00 0.00 41.96 40.38 3i40 s TYR 26 CO 0.02 -0.81 0.26 0.95 0.64 0.00 0.00 175.55 176.61 3i40 s THR 27 N 1.22 1.48 0.08 4.34 -4.23 -1.26 -4.97 115.64 112.30 3i40 s THR 27 Ca -0.05 -2.70 0.24 0.00 -1.18 0.00 0.00 61.69 58.00 3i40 s THR 27 Cb -0.19 -2.03 0.23 0.00 1.34 0.00 0.00 72.50 71.86 3i40 s THR 27 CO -0.04 -0.92 1.79 -0.65 -0.54 0.00 0.00 174.62 174.27 3i40 h PRO 28 N 6.57 0.00 0.07 3.99 0.11 -2.05 -3.23 132.00 137.46 3i40 h PRO 28 Ca 0.02 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.81 3i40 h PRO 28 Cb 0.91 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 3i40 h PRO 28 CO 0.50 0.22 -1.73 1.63 -0.21 0.00 0.00 178.00 178.41 3i40 n LYS 29 N -3.34 0.68 0.00 1.05 4.01 -1.26 -5.24 118.16 114.05 3i40 n LYS 29 Ca 0.00 0.39 0.07 0.00 -0.51 0.00 0.00 58.31 58.26 3i40 n LYS 29 Cb 0.45 -1.71 0.40 0.00 -0.51 0.00 0.00 35.03 33.66 3i40 n LYS 29 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29