#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d6r n PRO 7 N 0.00 0.00 -3.66 -1.58 -0.02 -1.26 -4.95 135.00 123.52 1d6r n PRO 7 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.44 1d6r n PRO 7 Cb 0.00 -1.24 -0.01 0.00 -0.02 0.00 0.00 33.50 32.22 1d6r n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d6r n ASP 10 N 5.44 0.00 -4.63 0.00 9.92 -1.26 -3.86 116.55 122.15 1d6r n ASP 10 Ca -0.03 0.04 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 1d6r n ASP 10 Cb 0.52 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.97 1d6r n ASP 10 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1d6r s GLN 11 N -0.07 3.70 -0.03 -1.24 -1.52 -1.26 -4.94 119.66 114.31 1d6r s GLN 11 Ca 0.00 2.25 0.03 0.00 -1.95 0.00 0.00 55.36 55.69 1d6r s GLN 11 Cb 0.00 -4.22 0.00 0.00 -0.22 0.00 0.00 33.01 28.57 1d6r s GLN 11 CO 0.00 -1.45 -0.10 0.00 -0.25 0.00 0.00 175.29 173.49 1d6r s ALA 13 N 0.11 2.06 0.01 0.00 0.00 0.29 -4.93 121.76 119.29 1d6r s ALA 13 Ca -0.02 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1d6r s ALA 13 Cb -0.08 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 1d6r s ALA 13 CO 0.01 0.37 -0.03 0.00 0.00 0.00 0.00 175.76 176.11 1d6r s THR 15 N -0.71 3.38 -0.59 0.00 -4.23 -1.11 -4.94 115.64 107.44 1d6r s THR 15 Ca -0.06 0.62 -0.02 0.00 -1.18 0.00 0.00 61.69 61.04 1d6r s THR 15 Cb -0.05 -3.14 0.28 0.00 1.34 0.00 0.00 72.50 70.92 1d6r s THR 15 CO -0.00 -0.42 2.21 0.29 -0.54 0.00 0.00 174.62 176.16 1d6r n LYS 16 N -2.47 2.44 -3.39 3.99 5.02 -1.26 -4.35 118.16 118.14 1d6r n LYS 16 Ca 0.10 -2.74 -0.22 0.00 -2.02 0.00 0.00 58.31 53.43 1d6r n LYS 16 Cb 0.52 -2.10 -0.01 0.00 -0.02 0.00 0.00 35.03 33.43 1d6r n LYS 16 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1d6r s SER 17 N -0.67 6.12 -0.54 4.39 1.04 -1.26 -5.00 113.70 117.77 1d6r s SER 17 Ca 0.53 0.23 -0.07 0.00 0.48 0.00 0.00 55.95 57.11 1d6r s SER 17 Cb 0.40 -1.73 0.14 0.00 0.10 0.00 0.00 66.02 64.94 1d6r s SER 17 CO -0.16 -0.39 0.40 0.21 0.98 0.00 0.00 173.24 174.27 1d6r s ASN 18 N -4.10 5.66 0.68 7.02 3.84 -1.26 -1.36 114.94 125.42 1d6r s ASN 18 Ca 0.42 -2.23 -0.05 0.00 0.21 0.00 0.00 52.86 51.21 1d6r s ASN 18 Cb -0.10 -1.97 0.06 0.00 -0.55 0.00 0.00 41.25 38.69 1d6r s ASN 18 CO 0.34 -0.59 0.97 -2.16 -2.79 0.00 0.00 177.10 172.88 1d6r s PRO 19 N 0.87 2.19 0.31 0.43 0.04 -1.26 -5.15 135.00 132.43 1d6r s PRO 19 Ca 0.10 -0.44 -0.24 0.00 0.04 0.00 0.00 61.00 60.46 1d6r s PRO 19 Cb -0.23 -2.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.98 1d6r s PRO 19 CO -0.03 -1.17 0.90 -1.25 0.04 0.00 0.00 177.00 175.49 1d6r s PRO 20 N -5.15 4.49 -0.50 0.56 0.04 -0.46 -5.01 135.00 128.97 1d6r s PRO 20 Ca 0.60 1.22 -0.17 0.00 0.04 0.00 0.00 61.00 62.69 1d6r s PRO 20 Cb -0.10 -2.79 0.07 0.00 0.04 0.00 0.00 34.50 31.73 1d6r s PRO 20 CO 0.43 0.29 0.52 1.14 0.04 0.00 0.00 177.00 179.43 1d6r s GLN 21 N -2.09 3.04 -0.10 4.56 -2.07 -1.26 -3.81 119.66 117.94 1d6r s GLN 21 Ca 0.49 -1.20 -0.06 0.00 -1.82 0.00 0.00 55.36 52.77 1d6r s GLN 21 Cb -0.18 -4.15 -0.04 0.00 -1.09 0.00 0.00 33.01 27.56 1d6r s GLN 21 CO 0.23 -1.18 0.14 0.00 -1.32 0.00 0.00 175.29 173.15 1d6r s ARG 23 N -1.19 0.83 -0.19 0.00 1.70 0.72 0.26 118.95 121.08 1d6r s ARG 23 Ca 0.17 -1.24 -0.08 0.00 -0.47 0.00 0.00 55.73 54.11 1d6r s ARG 23 Cb -0.12 -0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 33.88 1d6r s ARG 23 CO 0.07 0.02 0.07 0.00 -1.08 0.00 0.00 175.30 174.37 1d6r n SER 25 N 3.66 4.85 -4.75 0.00 7.64 -0.06 -4.61 113.62 120.35 1d6r n SER 25 Ca -0.16 -3.16 -0.40 0.00 1.01 0.00 0.00 58.87 56.15 1d6r n SER 25 Cb 0.52 -0.71 -0.06 0.00 -1.01 0.00 0.00 64.21 62.96 1d6r n SER 25 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1d6r s ASP 26 N -1.16 7.62 -0.39 6.43 1.11 -1.25 -4.88 116.67 124.14 1d6r s ASP 26 Ca 0.53 1.97 -0.05 0.00 0.18 0.00 0.00 52.55 55.18 1d6r s ASP 26 Cb 0.42 -2.61 0.09 0.00 1.07 0.00 0.00 42.92 41.89 1d6r s ASP 26 CO 0.13 0.13 0.18 -0.04 1.18 0.00 0.00 175.17 176.75 1d6r s MET 27 N -1.15 2.32 0.49 8.23 -1.94 -1.26 -4.39 119.30 121.59 1d6r s MET 27 Ca 0.41 -1.57 0.01 0.00 -1.71 0.00 0.00 55.69 52.84 1d6r s MET 27 Cb -0.26 -3.58 0.01 0.00 2.01 0.00 0.00 34.83 33.01 1d6r s MET 27 CO 0.33 -0.93 0.71 1.03 -0.01 0.00 0.00 175.02 176.14 1d6r s ARG 28 N 1.27 2.83 0.15 2.03 0.52 0.73 -4.85 118.95 121.63 1d6r s ARG 28 Ca 0.03 -0.65 0.04 0.00 -0.52 0.00 0.00 55.73 54.63 1d6r s ARG 28 Cb -0.22 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 1d6r s ARG 28 CO -0.01 -0.46 0.21 -0.51 0.02 0.00 0.00 175.30 174.55 1d6r s LEU 29 N -4.63 4.08 0.00 2.53 1.43 -1.26 -0.09 118.68 120.74 1d6r s LEU 29 Ca 0.52 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 1d6r s LEU 29 Cb -0.10 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.45 1d6r s LEU 29 CO 0.38 0.06 0.00 -0.46 0.23 0.00 0.00 176.35 176.56 1d6r n ASN 30 N -0.41 0.00 -0.49 2.29 0.23 -1.02 -4.74 115.26 111.12 1d6r n ASN 30 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.97 1d6r n ASN 30 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 1d6r n ASN 30 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1d6r n SER 31 N 0.00 0.00 -4.05 0.53 3.41 -1.26 -4.93 113.62 107.32 1d6r n SER 31 Ca 0.00 -0.49 -0.17 0.00 -0.26 0.00 0.00 58.87 57.95 1d6r n SER 31 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 1d6r n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1d6r n HIS 33 N 2.20 -1.78 0.26 0.00 8.25 -1.26 -4.79 115.22 118.10 1d6r n HIS 33 Ca -0.17 0.25 -0.07 0.00 -0.26 0.00 0.00 57.72 57.46 1d6r n HIS 33 Cb 0.56 -0.97 0.07 0.00 1.12 0.00 0.00 29.99 30.77 1d6r n HIS 33 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1d6r n SER 34 N 1.50 3.17 -2.72 0.41 7.64 -1.26 -2.52 113.62 119.84 1d6r n SER 34 Ca 0.04 -2.51 -0.05 0.00 1.01 0.00 0.00 58.87 57.36 1d6r n SER 34 Cb 0.28 -0.61 0.08 0.00 -1.01 0.00 0.00 64.21 62.95 1d6r n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d6r n ALA 35 N -0.02 2.59 -3.54 -0.43 0.00 -1.26 -5.09 120.51 112.76 1d6r n ALA 35 Ca 0.19 -2.19 -0.12 0.00 0.00 0.00 0.00 53.44 51.32 1d6r n ALA 35 Cb 0.86 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 19.27 1d6r n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d6r n LYS 37 N 3.82 0.67 -3.85 0.00 4.01 -1.26 -4.76 118.16 116.79 1d6r n LYS 37 Ca -0.21 0.08 -0.28 0.00 -0.51 0.00 0.00 58.31 57.38 1d6r n LYS 37 Cb 0.55 -1.61 -0.12 0.00 -0.51 0.00 0.00 35.03 33.34 1d6r n LYS 37 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1d6r s SER 38 N -5.62 4.37 -0.28 4.39 0.01 -1.26 -5.05 113.70 110.26 1d6r s SER 38 Ca -0.08 -3.61 -0.15 0.00 1.31 0.00 0.00 55.95 53.41 1d6r s SER 38 Cb 0.07 -1.49 -0.03 0.00 0.21 0.00 0.00 66.02 64.78 1d6r s SER 38 CO 0.83 -0.12 0.39 0.00 0.41 0.00 0.00 173.24 174.76 1d6r s ILE 40 N 2.11 2.34 0.23 0.00 1.09 -0.90 -4.99 121.20 121.08 1d6r s ILE 40 Ca 0.15 -0.92 0.06 0.00 -1.10 0.00 0.00 60.65 58.85 1d6r s ILE 40 Cb -0.16 -1.92 -0.05 0.00 -1.06 0.00 0.00 42.46 39.27 1d6r s ILE 40 CO 0.10 0.55 -0.09 0.00 -0.10 0.00 0.00 174.94 175.41 1d6r s ALA 42 N -3.08 3.30 -0.41 0.00 0.00 -0.25 -4.94 121.76 116.38 1d6r s ALA 42 Ca 0.26 -0.33 0.10 0.00 0.00 0.00 0.00 51.96 51.99 1d6r s ALA 42 Cb 0.02 -2.75 0.61 0.00 0.00 0.00 0.00 23.12 21.01 1d6r s ALA 42 CO 0.09 -0.38 1.49 1.28 0.00 0.00 0.00 175.76 178.23 1d6r n LEU 43 N -2.20 4.78 -5.03 0.00 4.32 -1.26 -4.48 117.00 113.13 1d6r n LEU 43 Ca 0.02 -2.44 -0.21 0.00 -0.02 0.00 0.00 56.01 53.36 1d6r n LEU 43 Cb 0.55 -0.66 0.08 0.00 -1.62 0.00 0.00 43.42 41.77 1d6r n LEU 43 CO 0.53 0.58 0.42 -0.94 -1.22 0.00 0.00 177.39 176.77 1d6r s SER 44 N -0.61 4.81 -0.27 -1.43 1.04 -1.26 -5.02 113.70 110.97 1d6r s SER 44 Ca 0.42 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1d6r s SER 44 Cb 0.32 0.32 0.08 0.00 0.10 0.00 0.00 66.02 66.84 1d6r s SER 44 CO 0.12 -1.56 0.01 -0.47 0.98 0.00 0.00 173.24 172.32 1d6r s TYR 45 N -2.83 2.29 0.03 5.02 6.14 -1.26 -2.58 117.35 124.15 1d6r s TYR 45 Ca 0.64 -1.85 -0.17 0.00 0.64 0.00 0.00 57.07 56.33 1d6r s TYR 45 Cb -0.05 -1.76 -0.06 0.00 0.42 0.00 0.00 41.96 40.50 1d6r s TYR 45 CO 0.41 -0.81 0.50 -1.25 0.64 0.00 0.00 175.55 175.04 1d6r s PRO 46 N 1.42 4.10 0.48 4.97 0.04 -1.26 -5.17 135.00 139.59 1d6r s PRO 46 Ca 0.01 0.60 -0.23 0.00 0.04 0.00 0.00 61.00 61.42 1d6r s PRO 46 Cb -0.18 -3.24 -0.08 0.00 0.04 0.00 0.00 34.50 31.03 1d6r s PRO 46 CO -0.11 0.63 1.15 0.00 0.04 0.00 0.00 177.00 178.70 1d6r n ALA 47 N 1.89 0.80 -3.18 8.56 0.00 -1.07 -4.88 120.51 122.63 1d6r n ALA 47 Ca -0.11 0.17 -0.33 0.00 0.00 0.00 0.00 53.44 53.17 1d6r n ALA 47 Cb 0.51 -2.20 -0.15 0.00 0.00 0.00 0.00 19.45 17.61 1d6r n ALA 47 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1d6r s GLN 48 N -2.40 3.24 0.20 0.00 -0.21 -1.26 -2.43 119.66 116.80 1d6r s GLN 48 Ca 0.67 -0.76 0.10 0.00 0.02 0.00 0.00 55.36 55.38 1d6r s GLN 48 Cb -0.48 -2.51 -0.04 0.00 1.00 0.00 0.00 33.01 30.97 1d6r s GLN 48 CO 0.54 0.17 -0.20 0.00 -2.12 0.00 0.00 175.29 173.68 1d6r s PHE 50 N -2.11 0.08 -0.51 0.00 5.99 -0.69 -0.19 117.98 120.54 1d6r s PHE 50 Ca 0.21 0.03 -0.17 0.00 0.00 0.00 0.00 56.93 56.99 1d6r s PHE 50 Cb -0.06 -0.13 0.09 0.00 0.00 0.00 0.00 43.02 42.92 1d6r s PHE 50 CO 0.09 -0.04 0.52 0.00 -0.00 0.00 0.00 175.22 175.80 1d6r n VAL 52 N 5.37 0.24 -1.74 0.00 0.24 -0.89 -4.38 118.33 117.17 1d6r n VAL 52 Ca -0.11 -0.26 -0.39 0.00 -2.04 0.00 0.00 64.34 61.54 1d6r n VAL 52 Cb 0.43 0.13 0.03 0.00 -1.47 0.00 0.00 33.84 32.96 1d6r n VAL 52 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1d6r n ASP 53 N 0.04 2.76 -4.87 -1.34 8.00 -1.26 -4.95 116.55 114.94 1d6r n ASP 53 Ca 0.09 1.03 -0.37 0.00 0.71 0.00 0.00 54.79 56.24 1d6r n ASP 53 Cb 0.18 -1.57 -0.06 0.00 -0.02 0.00 0.00 41.12 39.65 1d6r n ASP 53 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1d6r s ILE 54 N -1.26 5.42 -0.00 0.53 1.01 -1.26 -4.43 121.20 121.21 1d6r s ILE 54 Ca 0.67 0.32 -0.12 0.00 0.00 0.00 0.00 60.65 61.53 1d6r s ILE 54 Cb -0.44 -3.46 0.01 0.00 0.01 0.00 0.00 42.46 38.58 1d6r s ILE 54 CO 0.53 0.60 0.23 0.42 0.00 0.00 0.00 174.94 176.73 1d6r s THR 55 N -0.98 0.07 -0.14 2.92 -4.23 0.14 -4.92 115.64 108.50 1d6r s THR 55 Ca 0.16 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 1d6r s THR 55 Cb -0.13 -0.57 0.00 0.00 1.34 0.00 0.00 72.50 73.14 1d6r s THR 55 CO 0.05 -0.33 0.33 -0.90 -0.54 0.00 0.00 174.62 173.24 1d6r n ASP 56 N 1.27 0.97 0.00 3.99 5.68 -1.25 0.32 116.55 127.55 1d6r n ASP 56 Ca -0.22 -0.72 0.00 0.00 -0.50 0.00 0.00 54.79 53.35 1d6r n ASP 56 Cb 0.56 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1d6r n ASP 56 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 1d6r n PHE 57 N 0.75 0.00 -4.28 2.11 -1.74 -1.25 -4.68 117.46 108.37 1d6r n PHE 57 Ca 0.00 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.77 1d6r n PHE 57 Cb 0.17 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.14 1d6r n PHE 57 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1d6r s TYR 59 N -1.86 1.77 0.46 0.00 2.02 -1.26 -4.99 117.35 113.48 1d6r s TYR 59 Ca 0.02 -0.29 -0.04 0.00 -0.37 0.00 0.00 57.07 56.39 1d6r s TYR 59 Cb 0.00 -2.85 -0.03 0.00 -0.40 0.00 0.00 41.96 38.68 1d6r s TYR 59 CO 0.02 -1.50 0.74 -1.83 -1.57 0.00 0.00 175.55 171.40 1d6r s GLU 60 N -5.02 3.43 0.97 -0.62 -1.05 -1.26 -3.40 118.70 111.75 1d6r s GLU 60 Ca 0.64 0.01 -0.25 0.00 -0.15 0.00 0.00 54.97 55.22 1d6r s GLU 60 Cb -0.06 -2.44 -0.15 0.00 -0.44 0.00 0.00 34.13 31.04 1d6r s GLU 60 CO 0.43 -0.19 -1.28 -2.30 0.95 0.00 0.00 175.26 172.87 1d6r n PRO 61 N -2.18 -0.18 0.00 -4.83 -0.02 -1.25 0.32 135.00 126.86 1d6r n PRO 61 Ca -0.00 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1d6r n PRO 61 Cb 0.56 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 1d6r n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48