#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mi9 s GLU 2 N 0.00 3.49 0.32 2.12 2.02 -1.26 -5.09 118.70 120.29 3mi9 s GLU 2 Ca 0.00 -0.59 -0.29 0.00 0.02 0.00 0.00 54.97 54.11 3mi9 s GLU 2 Cb 0.00 -2.96 -0.12 0.00 0.10 0.00 0.00 34.13 31.14 3mi9 s GLU 2 CO 0.00 -0.02 1.35 -2.30 0.02 0.00 0.00 175.26 174.31 3mi9 n PRO 3 N 4.29 2.17 -5.30 0.39 -0.02 -1.26 -5.01 135.00 130.27 3mi9 n PRO 3 Ca -0.18 0.76 -0.31 0.00 -2.02 0.00 0.00 63.50 61.76 3mi9 n PRO 3 Cb 0.52 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.45 3mi9 n PRO 3 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mi9 s VAL 4 N -0.78 2.08 -0.17 -1.45 1.01 -1.26 -5.08 120.40 114.76 3mi9 s VAL 4 Ca 0.59 -1.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 3mi9 s VAL 4 Cb -0.58 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3mi9 s VAL 4 CO 0.58 0.58 1.79 -0.62 0.00 0.00 0.00 175.10 177.44 3mi9 s ASP 5 N -0.58 6.23 0.32 3.32 2.15 -1.26 -4.87 116.67 121.97 3mi9 s ASP 5 Ca 0.09 1.89 -0.00 0.00 0.43 0.00 0.00 52.55 54.96 3mi9 s ASP 5 Cb -0.10 -2.53 0.52 0.00 -0.30 0.00 0.00 42.92 40.51 3mi9 s ASP 5 CO -0.01 -1.34 1.98 -0.65 -0.17 0.00 0.00 175.17 174.99 3mi9 h PRO 6 N 11.46 0.99 0.00 4.34 0.11 -2.03 -2.89 132.00 143.98 3mi9 h PRO 6 Ca -0.38 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3mi9 h PRO 6 Cb 1.19 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3mi9 h PRO 6 CO 0.98 0.65 0.00 0.00 -0.21 0.00 0.00 178.00 179.42 3mi9 h ARG 7 N 1.02 0.00 -6.79 1.05 3.08 -2.06 -3.43 114.38 107.25 3mi9 h ARG 7 Ca 0.28 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.81 3mi9 h ARG 7 Cb -0.09 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.01 3mi9 h ARG 7 CO -0.07 0.00 0.68 -0.51 -1.07 0.00 0.00 179.97 179.01 3mi9 s LEU 8 N -4.60 4.41 0.52 3.04 1.43 -1.09 -4.97 118.68 117.42 3mi9 s LEU 8 Ca -0.02 2.62 -0.22 0.00 -1.03 0.00 0.00 54.13 55.48 3mi9 s LEU 8 Cb 0.07 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.60 3mi9 s LEU 8 CO 0.23 -0.59 1.24 -1.61 0.23 0.00 0.00 176.35 175.85 3mi9 s GLU 9 N -0.92 3.38 0.31 1.70 0.41 -1.26 -4.87 118.70 117.45 3mi9 s GLU 9 Ca 0.54 1.93 0.05 0.00 -0.41 0.00 0.00 54.97 57.08 3mi9 s GLU 9 Cb -0.40 -2.24 0.84 0.00 -1.78 0.00 0.00 34.13 30.55 3mi9 s GLU 9 CO 0.46 -0.91 1.59 -1.35 -0.49 0.00 0.00 175.26 174.56 3mi9 h PRO 10 N 1.58 0.04 0.00 0.39 0.11 -1.93 0.22 132.00 132.42 3mi9 h PRO 10 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3mi9 h PRO 10 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3mi9 h PRO 10 CO 0.58 0.03 0.00 0.11 -0.21 0.00 0.00 178.00 178.51 3mi9 h TRP 11 N 0.05 0.00 -0.01 0.65 0.09 -2.04 -2.43 115.95 112.26 3mi9 h TRP 11 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.61 3mi9 h TRP 11 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.62 3mi9 h TRP 11 CO -0.37 0.00 -0.03 1.63 0.09 0.00 0.00 178.44 179.76 3mi9 n LYS 12 N -2.85 1.34 -2.52 0.12 4.76 0.77 -4.91 118.16 114.87 3mi9 n LYS 12 Ca 0.01 -0.60 -0.41 0.00 -2.87 0.00 0.00 58.31 54.44 3mi9 n LYS 12 Cb 0.28 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.94 3mi9 n LYS 12 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3mi9 s HIS 13 N -2.08 3.63 0.74 2.13 3.76 -0.92 -4.93 115.29 117.61 3mi9 s HIS 13 Ca 0.39 1.68 -0.13 0.00 -0.15 0.00 0.00 55.06 56.85 3mi9 s HIS 13 Cb 0.21 -3.25 0.04 0.00 1.11 0.00 0.00 32.58 30.69 3mi9 s HIS 13 CO 0.37 -0.47 1.13 -1.25 -0.85 0.00 0.00 174.74 173.67 3mi9 s PRO 14 N -1.00 2.29 0.75 8.40 0.04 -1.26 -5.00 135.00 139.21 3mi9 s PRO 14 Ca 0.46 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 3mi9 s PRO 14 Cb -0.30 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.39 3mi9 s PRO 14 CO 0.38 -1.65 1.08 0.20 0.04 0.00 0.00 177.00 177.04 3mi9 s GLY 15 N -2.71 1.68 0.01 0.56 0.00 -1.26 -4.96 107.32 100.64 3mi9 s GLY 15 Ca 0.67 0.22 0.24 0.00 0.00 0.00 0.00 44.72 45.84 3mi9 s GLY 15 CO 0.48 0.55 1.21 -1.14 0.00 0.00 0.00 173.10 174.21 3mi9 n SER 16 N -3.39 0.65 -4.67 1.64 3.41 -1.26 -4.95 113.62 105.06 3mi9 n SER 16 Ca 0.09 -0.42 -0.46 0.00 -0.26 0.00 0.00 58.87 57.82 3mi9 n SER 16 Cb 0.53 0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 64.97 3mi9 n SER 16 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3mi9 n GLN 17 N -1.60 2.20 -2.00 4.33 7.27 -1.26 -4.92 117.38 121.40 3mi9 n GLN 17 Ca 0.04 0.79 -0.40 0.00 0.07 0.00 0.00 57.00 57.50 3mi9 n GLN 17 Cb 0.36 -2.58 -0.01 0.00 2.41 0.00 0.00 30.24 30.42 3mi9 n GLN 17 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3mi9 s PRO 18 N 1.25 4.15 0.59 3.69 0.04 -1.26 -4.91 135.00 138.56 3mi9 s PRO 18 Ca 0.80 2.31 0.29 0.00 0.04 0.00 0.00 61.00 64.43 3mi9 s PRO 18 Cb -0.67 -2.94 1.63 0.00 0.04 0.00 0.00 34.50 32.56 3mi9 s PRO 18 CO 0.39 -0.39 2.06 0.87 0.04 0.00 0.00 177.00 179.96 3mi9 h LYS 19 N 3.04 0.00 -5.21 4.56 1.79 -1.96 -3.42 116.57 115.37 3mi9 h LYS 19 Ca -0.50 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 57.61 3mi9 h LYS 19 Cb 1.24 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.74 3mi9 h LYS 19 CO 0.64 0.00 -0.72 0.95 -1.08 0.00 0.00 179.45 179.24 3mi9 s THR 20 N -4.62 1.32 0.97 -0.16 -4.23 -1.26 -5.14 115.64 102.52 3mi9 s THR 20 Ca -0.05 -2.07 -0.11 0.00 -1.18 0.00 0.00 61.69 58.29 3mi9 s THR 20 Cb 0.15 -1.87 0.17 0.00 1.34 0.00 0.00 72.50 72.30 3mi9 s THR 20 CO 0.54 -0.69 1.10 0.00 -0.54 0.00 0.00 174.62 175.04 3mi9 n ALA 21 N -0.18 -1.25 -2.51 3.99 0.00 -1.26 -4.95 120.51 114.34 3mi9 n ALA 21 Ca -0.10 -0.67 -0.42 0.00 0.00 0.00 0.00 53.44 52.24 3mi9 n ALA 21 Cb 0.60 -2.15 -0.08 0.00 0.00 0.00 0.00 19.45 17.82 3mi9 n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mi9 s THR 23 N 2.22 1.65 -1.42 0.00 -4.23 -1.26 -4.96 115.64 107.64 3mi9 s THR 23 Ca 0.14 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.80 3mi9 s THR 23 Cb -0.16 -2.58 0.34 0.00 1.34 0.00 0.00 72.50 71.44 3mi9 s THR 23 CO 0.14 0.00 1.26 -3.20 -0.54 0.00 0.00 174.62 172.27 3mi9 n ASN 24 N -4.62 3.02 -4.79 3.99 4.05 -1.26 -5.01 115.26 110.64 3mi9 n ASN 24 Ca 0.14 -1.91 -0.34 0.00 0.45 0.00 0.00 54.58 52.92 3mi9 n ASN 24 Cb 0.60 -0.24 -0.01 0.00 1.23 0.00 0.00 39.78 41.36 3mi9 n ASN 24 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3mi9 s TYR 26 N -1.97 3.37 -0.06 0.00 1.51 -1.26 -4.52 117.35 114.42 3mi9 s TYR 26 Ca 0.69 -2.77 -0.26 0.00 -1.01 0.00 0.00 57.07 53.73 3mi9 s TYR 26 Cb -0.20 -2.70 0.06 0.00 -0.11 0.00 0.00 41.96 39.01 3mi9 s TYR 26 CO 0.27 -0.93 0.57 0.00 -1.11 0.00 0.00 175.55 174.34 3mi9 n LYS 28 N 1.19 -0.02 -0.04 0.00 4.81 -1.26 -0.02 118.16 122.83 3mi9 n LYS 28 Ca -0.19 0.72 -0.20 0.00 -0.87 0.00 0.00 58.31 57.76 3mi9 n LYS 28 Cb 0.57 -1.46 -0.13 0.00 0.02 0.00 0.00 35.03 34.03 3mi9 n LYS 28 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3mi9 h LYS 29 N 0.00 0.13 0.00 1.64 1.57 -1.96 -3.30 116.57 114.65 3mi9 h LYS 29 Ca 0.53 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3mi9 h LYS 29 Cb 1.80 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.20 3mi9 h LYS 29 CO -0.21 1.11 0.00 0.00 -0.57 0.00 0.00 179.45 179.78 3mi9 n PHE 32 N -1.52 0.00 -0.25 0.00 3.01 -0.83 -2.42 117.46 115.45 3mi9 n PHE 32 Ca 0.07 -1.02 -0.05 0.00 1.01 0.00 0.00 57.45 57.45 3mi9 n PHE 32 Cb 0.33 -0.18 0.05 0.00 -0.01 0.00 0.00 39.48 39.67 3mi9 n PHE 32 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3mi9 h HIS 33 N 0.52 0.92 -2.96 1.38 2.76 -1.44 -3.47 115.15 112.86 3mi9 h HIS 33 Ca -0.03 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.18 3mi9 h HIS 33 Cb 1.16 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.79 3mi9 h HIS 33 CO 0.34 0.61 0.28 0.00 -1.30 0.00 0.00 177.93 177.85 3mi9 h GLN 35 N 2.00 0.87 -0.16 0.00 5.75 -1.96 -0.12 115.11 121.49 3mi9 h GLN 35 Ca -0.27 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.15 3mi9 h GLN 35 Cb 1.25 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 29.60 3mi9 h GLN 35 CO 0.33 0.57 -0.01 0.28 -2.65 0.00 0.00 178.83 177.35 3mi9 h VAL 36 N 0.89 1.27 -0.78 2.39 2.07 -1.97 -0.70 116.25 119.42 3mi9 h VAL 36 Ca 0.52 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3mi9 h VAL 36 Cb 0.65 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 3mi9 h VAL 36 CO -0.30 0.27 0.35 0.00 0.02 0.00 0.00 177.57 177.91 3mi9 h PHE 38 N 1.11 0.10 -0.71 0.00 3.57 -0.68 0.18 116.94 120.51 3mi9 h PHE 38 Ca 0.27 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 3mi9 h PHE 38 Cb 0.14 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 3mi9 h PHE 38 CO 0.02 0.30 0.21 0.82 -2.23 0.00 0.00 178.31 177.43 3mi9 h ILE 39 N -0.14 1.26 0.06 1.41 1.08 -1.01 -2.21 117.51 117.96 3mi9 h ILE 39 Ca 0.02 -0.90 -0.24 0.00 -0.39 0.00 0.00 64.86 63.34 3mi9 h ILE 39 Cb 0.26 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 3mi9 h ILE 39 CO 0.00 0.35 -1.26 0.71 -0.69 0.00 0.00 178.15 177.26 3mi9 h THR 40 N 1.06 1.03 0.04 -0.27 1.35 -1.15 -1.55 112.91 113.43 3mi9 h THR 40 Ca 0.23 -2.31 -0.00 0.00 -0.55 0.00 0.00 66.41 63.78 3mi9 h THR 40 Cb 0.31 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 3mi9 h THR 40 CO -0.01 0.57 -0.02 0.11 -0.25 0.00 0.00 175.52 175.93 3mi9 h LYS 41 N -0.59 -0.05 -0.20 4.72 1.57 -0.76 -1.91 116.57 119.34 3mi9 h LYS 41 Ca -0.30 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.43 3mi9 h LYS 41 Cb 1.54 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.85 3mi9 h LYS 41 CO -0.04 -0.04 -0.11 0.00 -0.57 0.00 0.00 179.45 178.69 3mi9 h ALA 42 N -1.62 1.43 0.00 3.86 0.00 -1.53 -3.21 119.26 118.20 3mi9 h ALA 42 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3mi9 h ALA 42 Cb 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3mi9 h ALA 42 CO 0.01 0.40 -0.88 1.28 0.00 0.00 0.00 179.25 180.06 3mi9 n LEU 43 N -4.26 0.66 -1.77 0.00 4.77 -0.85 -5.01 117.00 110.55 3mi9 n LEU 43 Ca -0.00 -0.44 -0.17 0.00 -0.03 0.00 0.00 56.01 55.37 3mi9 n LEU 43 Cb 0.28 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 3mi9 n LEU 43 CO 0.39 0.17 -0.20 0.61 -1.33 0.00 0.00 177.39 177.02 3mi9 n GLY 44 N 1.40 0.24 3.82 -0.72 0.00 -0.72 -4.95 105.19 104.27 3mi9 n GLY 44 Ca 0.02 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 3mi9 n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mi9 s ILE 45 N -2.79 4.86 -0.15 -0.61 1.01 -0.59 -4.98 121.20 117.95 3mi9 s ILE 45 Ca 0.00 1.07 -0.20 0.00 0.00 0.00 0.00 60.65 61.52 3mi9 s ILE 45 Cb 0.00 -3.83 0.05 0.00 0.01 0.00 0.00 42.46 38.69 3mi9 s ILE 45 CO 0.00 0.55 0.53 -0.94 0.00 0.00 0.00 174.94 175.08 3mi9 s SER 46 N -1.01 -0.53 0.26 3.58 1.04 -1.26 -3.89 113.70 111.89 3mi9 s SER 46 Ca 0.27 0.90 0.18 0.00 0.48 0.00 0.00 55.95 57.78 3mi9 s SER 46 Cb -0.18 0.91 0.08 0.00 0.10 0.00 0.00 66.02 66.93 3mi9 s SER 46 CO 0.17 -0.29 1.32 0.10 0.98 0.00 0.00 173.24 175.52 3mi9 h TYR 47 N 4.76 0.00 -3.95 5.02 -0.00 -2.01 -3.47 116.97 117.31 3mi9 h TYR 47 Ca -0.28 0.00 -0.43 0.00 0.00 0.00 0.00 58.73 58.02 3mi9 h TYR 47 Cb 1.17 0.00 0.17 0.00 0.00 0.00 0.00 36.73 38.07 3mi9 h TYR 47 CO 0.41 0.36 0.40 0.41 -0.00 0.00 0.00 178.16 179.74 3mi9 n GLY 48 N 1.23 -1.37 0.91 0.10 0.00 -1.26 -5.35 105.19 99.44 3mi9 n GLY 48 Ca 0.00 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.41 3mi9 n GLY 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19