#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba6 n ALA 2 N 0.00 -2.36 -0.12 -1.67 0.00 -1.26 -4.97 120.51 110.12 1ba6 n ALA 2 Ca 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 53.44 52.65 1ba6 n ALA 2 Cb 0.00 -2.40 0.01 0.00 0.00 0.00 0.00 19.45 17.06 1ba6 n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ba6 n GLU 3 N 0.76 2.73 -1.89 0.00 4.71 -1.26 -4.58 120.64 121.10 1ba6 n GLU 3 Ca 0.00 -1.50 -0.42 0.00 -0.01 0.00 0.00 57.16 55.23 1ba6 n GLU 3 Cb 0.72 -1.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.12 1ba6 n GLU 3 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 1ba6 s PHE 4 N -1.04 2.49 -1.62 -0.32 -0.71 -1.26 -2.17 117.98 113.35 1ba6 s PHE 4 Ca 0.02 0.31 -0.14 0.00 -1.04 0.00 0.00 56.93 56.08 1ba6 s PHE 4 Cb 0.01 -4.00 0.11 0.00 -1.21 0.00 0.00 43.02 37.94 1ba6 s PHE 4 CO 0.00 -3.97 0.71 -2.13 -1.34 0.00 0.00 175.22 168.49 1ba6 n ARG 5 N 5.32 -3.35 -3.97 1.99 0.63 -1.26 -1.44 116.66 114.58 1ba6 n ARG 5 Ca 0.16 0.39 -0.32 0.00 -0.92 0.00 0.00 57.85 57.16 1ba6 n ARG 5 Cb 0.40 -4.97 -0.06 0.00 0.45 0.00 0.00 32.46 28.28 1ba6 n ARG 5 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1ba6 n HIS 6 N -4.42 -1.27 -1.52 -0.14 1.44 -0.92 -4.73 115.22 103.66 1ba6 n HIS 6 Ca -0.02 0.52 -0.35 0.00 -2.01 0.00 0.00 57.72 55.85 1ba6 n HIS 6 Cb 0.54 -1.59 -0.11 0.00 0.12 0.00 0.00 29.99 28.95 1ba6 n HIS 6 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1ba6 n ASP 7 N -2.11 0.99 -2.07 4.39 5.75 -0.52 -4.45 116.55 118.52 1ba6 n ASP 7 Ca 0.09 -0.29 -0.01 0.00 -0.01 0.00 0.00 54.79 54.57 1ba6 n ASP 7 Cb 0.44 -1.19 0.07 0.00 -1.03 0.00 0.00 41.12 39.40 1ba6 n ASP 7 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1ba6 n SER 8 N 12.72 -0.84 0.00 -1.12 7.64 -1.26 -4.75 113.62 126.00 1ba6 n SER 8 Ca 0.54 -1.67 0.00 0.00 1.01 0.00 0.00 58.87 58.75 1ba6 n SER 8 Cb 0.27 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1ba6 n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ba6 n GLY 9 N -0.84 0.00 2.83 0.23 0.00 -1.26 -4.50 105.19 101.65 1ba6 n GLY 9 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1ba6 n GLY 9 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ba6 n TYR 10 N -0.46 3.01 -3.57 1.61 9.36 -1.26 -4.89 117.16 120.97 1ba6 n TYR 10 Ca 0.00 -2.47 -0.13 0.00 3.32 0.00 0.00 57.90 58.62 1ba6 n TYR 10 Cb 0.00 -1.08 -0.06 0.00 -0.63 0.00 0.00 39.34 37.58 1ba6 n TYR 10 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1ba6 s GLU 11 N -4.06 0.76 0.70 2.98 -6.30 -1.26 -5.09 118.70 106.42 1ba6 s GLU 11 Ca 0.49 0.29 -0.16 0.00 -2.50 0.00 0.00 54.97 53.09 1ba6 s GLU 11 Cb 0.39 0.36 0.02 0.00 0.00 0.00 0.00 34.13 34.90 1ba6 s GLU 11 CO -0.34 -0.22 1.25 0.54 0.02 0.00 0.00 175.26 176.51 1ba6 s VAL 12 N -0.90 2.15 -1.69 3.70 0.11 -1.26 -2.58 120.40 119.93 1ba6 s VAL 12 Ca -0.04 0.08 -0.19 0.00 -2.93 0.00 0.00 61.98 58.90 1ba6 s VAL 12 Cb -0.01 -2.82 0.17 0.00 -1.53 0.00 0.00 36.38 32.20 1ba6 s VAL 12 CO 0.04 -0.03 0.71 1.57 -3.33 0.00 0.00 175.10 174.06 1ba6 n HIS 13 N -2.40 -1.61 -1.52 1.54 -0.00 -1.26 -4.73 115.22 105.24 1ba6 n HIS 13 Ca 0.15 0.74 -0.13 0.00 -0.00 0.00 0.00 57.72 58.47 1ba6 n HIS 13 Cb 0.49 -2.63 -0.10 0.00 -0.00 0.00 0.00 29.99 27.76 1ba6 n HIS 13 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1ba6 n HIS 14 N -4.24 0.88 -3.12 1.57 1.44 -1.07 -4.65 115.22 106.03 1ba6 n HIS 14 Ca 0.08 -0.08 -0.21 0.00 -2.01 0.00 0.00 57.72 55.51 1ba6 n HIS 14 Cb 0.48 -2.30 -0.05 0.00 0.12 0.00 0.00 29.99 28.24 1ba6 n HIS 14 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1ba6 n GLN 15 N 7.95 0.62 -1.12 -1.40 3.00 -1.26 -4.77 117.38 120.41 1ba6 n GLN 15 Ca 0.43 -2.87 -0.08 0.00 -0.01 0.00 0.00 57.00 54.46 1ba6 n GLN 15 Cb 0.43 -1.35 -0.03 0.00 0.00 0.00 0.00 30.24 29.29 1ba6 n GLN 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1ba6 n LYS 16 N 1.78 -1.68 -0.34 -1.09 3.00 -1.26 -4.84 118.16 113.72 1ba6 n LYS 16 Ca 0.20 0.67 0.15 0.00 -0.00 0.00 0.00 58.31 59.33 1ba6 n LYS 16 Cb 0.54 -4.85 0.35 0.00 0.00 0.00 0.00 35.03 31.07 1ba6 n LYS 16 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 1ba6 h LEU 17 N 0.00 0.63 0.44 3.14 8.10 -1.91 -0.76 115.31 124.95 1ba6 h LEU 17 Ca -0.16 0.13 -0.02 0.00 0.11 0.00 0.00 57.88 57.93 1ba6 h LEU 17 Cb 0.92 0.03 0.00 0.00 -0.44 0.00 0.00 40.66 41.17 1ba6 h LEU 17 CO 0.24 0.13 -0.21 -0.37 -4.11 0.00 0.00 178.44 174.12 1ba6 h VAL 18 N 0.60 0.57 -0.56 0.15 -1.51 -1.88 -2.96 116.25 110.65 1ba6 h VAL 18 Ca 0.60 -0.04 0.04 0.00 -1.23 0.00 0.00 66.70 66.07 1ba6 h VAL 18 Cb 1.08 0.59 -0.04 0.00 -2.13 0.00 0.00 31.29 30.79 1ba6 h VAL 18 CO -0.46 0.01 0.32 -0.26 -1.23 0.00 0.00 177.57 175.95 1ba6 h PHE 19 N -0.62 0.60 0.00 5.19 0.04 -1.72 -0.19 116.94 120.24 1ba6 h PHE 19 Ca -0.06 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1ba6 h PHE 19 Cb 0.47 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1ba6 h PHE 19 CO -0.04 0.32 0.58 0.74 -0.60 0.00 0.00 178.31 179.31 1ba6 h PHE 20 N 0.62 0.00 0.00 -0.55 0.04 -0.98 0.23 116.94 116.30 1ba6 h PHE 20 Ca 0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.01 1ba6 h PHE 20 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1ba6 h PHE 20 CO -0.07 0.00 -0.84 0.00 -0.60 0.00 0.00 178.31 176.80 1ba6 n ALA 21 N -1.58 2.42 0.02 2.45 0.00 -0.90 -4.51 120.51 118.41 1ba6 n ALA 21 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 1ba6 n ALA 21 Cb 0.60 0.42 -0.09 0.00 0.00 0.00 0.00 19.45 20.37 1ba6 n ALA 21 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ba6 h GLU 22 N 0.00 -0.10 -0.59 0.00 5.08 -0.76 -1.75 114.58 116.46 1ba6 h GLU 22 Ca 0.00 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1ba6 h GLU 22 Cb 0.84 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1ba6 h GLU 22 CO 0.00 0.41 0.09 0.22 -1.00 0.00 0.00 179.01 178.73 1ba6 h ASP 23 N -0.70 0.94 -0.45 1.42 1.82 -0.71 0.43 116.42 119.16 1ba6 h ASP 23 Ca -0.01 -0.27 -0.04 0.00 -0.39 0.00 0.00 57.03 56.32 1ba6 h ASP 23 Cb 0.56 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.30 1ba6 h ASP 23 CO 0.02 0.97 0.14 -0.37 -1.61 0.00 0.00 179.24 178.39 1ba6 h VAL 24 N 0.88 1.21 -0.16 2.25 -1.51 -1.59 -1.81 116.25 115.53 1ba6 h VAL 24 Ca 0.18 -0.74 0.02 0.00 -1.23 0.00 0.00 66.70 64.93 1ba6 h VAL 24 Cb 0.43 0.67 -0.02 0.00 -2.13 0.00 0.00 31.29 30.24 1ba6 h VAL 24 CO 0.01 0.28 0.02 1.23 -1.23 0.00 0.00 177.57 177.88 1ba6 h GLY 25 N 0.93 0.17 -2.43 5.19 0.00 -0.54 -1.88 103.07 104.50 1ba6 h GLY 25 Ca 0.17 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 1ba6 h GLY 25 CO -0.01 -0.01 0.07 -1.14 0.00 0.00 0.00 176.54 175.46 1ba6 n SER 26 N -5.10 3.70 -4.59 0.19 3.41 0.07 -4.94 113.62 106.36 1ba6 n SER 26 Ca -0.03 -2.26 -0.31 0.00 -0.26 0.00 0.00 58.87 56.01 1ba6 n SER 26 Cb 0.08 -0.68 0.18 0.00 -0.26 0.00 0.00 64.21 63.53 1ba6 n SER 26 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1ba6 n ASN 27 N 0.56 -0.41 -2.38 4.04 0.23 -0.71 -4.91 115.26 111.69 1ba6 n ASN 27 Ca 0.06 0.29 -0.02 0.00 -0.53 0.00 0.00 54.58 54.39 1ba6 n ASN 27 Cb 0.59 -1.39 0.09 0.00 -2.08 0.00 0.00 39.78 37.00 1ba6 n ASN 27 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1ba6 n LYS 28 N -4.00 1.00 -1.70 -3.83 2.85 -1.26 -4.95 118.16 106.27 1ba6 n LYS 28 Ca 0.09 -0.93 -0.17 0.00 -1.05 0.00 0.00 58.31 56.26 1ba6 n LYS 28 Cb 0.53 0.30 -0.06 0.00 -0.65 0.00 0.00 35.03 35.15 1ba6 n LYS 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ba6 n GLY 29 N -1.12 1.16 0.92 2.58 0.00 -1.26 -4.62 105.19 102.86 1ba6 n GLY 29 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1ba6 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba6 n ALA 30 N 0.27 2.53 -0.12 4.61 0.00 -1.26 -4.81 120.51 121.74 1ba6 n ALA 30 Ca -0.18 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.47 1ba6 n ALA 30 Cb 0.58 0.13 0.63 0.00 0.00 0.00 0.00 19.45 20.79 1ba6 n ALA 30 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ba6 h ILE 31 N 0.00 0.69 -0.08 0.00 1.08 -1.91 -0.18 117.51 117.12 1ba6 h ILE 31 Ca 0.00 -0.05 0.04 0.00 -0.39 0.00 0.00 64.86 64.46 1ba6 h ILE 31 Cb 0.26 0.53 -0.06 0.00 -3.07 0.00 0.00 36.82 34.48 1ba6 h ILE 31 CO 0.00 0.03 -0.34 0.40 -0.69 0.00 0.00 178.15 177.54 1ba6 h ILE 32 N 0.15 0.26 0.10 -0.67 1.08 -1.95 -2.77 117.51 113.70 1ba6 h ILE 32 Ca 0.35 0.00 -0.29 0.00 -0.39 0.00 0.00 64.86 64.53 1ba6 h ILE 32 Cb 1.17 0.26 0.03 0.00 -3.07 0.00 0.00 36.82 35.21 1ba6 h ILE 32 CO -0.05 0.00 -1.20 1.23 -0.69 0.00 0.00 178.15 177.43 1ba6 h GLY 33 N -0.45 0.68 -5.35 5.37 0.00 -1.72 -3.54 103.07 98.07 1ba6 h GLY 33 Ca 0.08 -1.38 0.00 0.00 0.00 0.00 0.00 47.33 46.03 1ba6 h GLY 33 CO -0.33 1.22 -0.02 -0.10 0.00 0.00 0.00 176.54 177.31 1ba6 n LEU 34 N -3.78 -6.81 -0.10 3.11 0.00 -0.14 -5.13 117.00 104.15 1ba6 n LEU 34 Ca -0.13 -0.05 -0.12 0.00 0.00 0.00 0.00 56.01 55.72 1ba6 n LEU 34 Cb 0.97 -3.30 -0.11 0.00 0.00 0.00 0.00 43.42 40.97 1ba6 n LEU 34 CO 0.57 -1.16 -1.14 0.55 0.00 0.00 0.00 177.39 176.21 1ba6 n VAL 36 N -1.71 1.19 -0.81 1.96 3.14 -1.26 -5.09 118.33 115.76 1ba6 n VAL 36 Ca 0.00 -0.56 0.00 0.00 -2.96 0.00 0.00 64.34 60.82 1ba6 n VAL 36 Cb 0.50 -0.97 0.00 0.00 -1.06 0.00 0.00 33.84 32.30 1ba6 n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ba6 n GLY 37 N 2.28 0.56 2.43 7.55 0.00 -1.26 -5.02 105.19 111.73 1ba6 n GLY 37 Ca -0.33 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.38 1ba6 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ba6 n GLY 38 N -0.46 0.88 1.52 -0.02 0.00 -1.26 -4.97 105.19 100.87 1ba6 n GLY 38 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1ba6 n GLY 38 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ba6 n VAL 39 N -0.88 1.94 0.09 1.61 3.14 -1.26 -5.38 118.33 117.58 1ba6 n VAL 39 Ca -0.12 -0.90 0.01 0.00 -2.96 0.00 0.00 64.34 60.37 1ba6 n VAL 39 Cb 0.76 -0.66 0.04 0.00 -1.06 0.00 0.00 33.84 32.93 1ba6 n VAL 39 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92