#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a7q s GLU 48 N 0.00 3.63 0.03 0.00 8.01 -1.26 -5.01 118.70 124.10 3a7q s GLU 48 Ca 0.00 0.18 -0.27 0.00 0.01 0.00 0.00 54.97 54.89 3a7q s GLU 48 Cb 0.00 -2.48 -0.17 0.00 -4.31 0.00 0.00 34.13 27.17 3a7q s GLU 48 CO 0.00 -0.01 1.34 0.87 0.01 0.00 0.00 175.26 177.47 3a7q h LYS 49 N 0.98 -0.58 -0.40 1.61 6.56 -2.03 -1.88 116.57 120.82 3a7q h LYS 49 Ca -0.47 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 3a7q h LYS 49 Cb 1.20 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.99 3a7q h LYS 49 CO 0.63 -0.29 0.00 -0.40 -2.06 0.00 0.00 179.45 177.34 3a7q n ASP 50 N -5.26 0.40 -4.58 0.86 5.75 -1.26 -4.71 116.55 107.75 3a7q n ASP 50 Ca -0.11 -0.95 -0.24 0.00 -0.01 0.00 0.00 54.79 53.48 3a7q n ASP 50 Cb 0.29 -0.20 -0.09 0.00 -1.03 0.00 0.00 41.12 40.10 3a7q n ASP 50 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3a7q s GLN 51 N -1.15 2.01 -0.09 0.11 -0.21 -0.71 -1.75 119.66 117.87 3a7q s GLN 51 Ca 0.00 -1.66 0.03 0.00 0.02 0.00 0.00 55.36 53.75 3a7q s GLN 51 Cb 0.00 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 32.07 3a7q s GLN 51 CO 0.00 0.26 -0.20 0.12 -2.12 0.00 0.00 175.29 173.36 3a7q s PHE 52 N -2.46 2.13 -0.28 0.91 5.36 0.76 -4.57 117.98 119.83 3a7q s PHE 52 Ca 0.32 -0.84 -0.24 0.00 -0.96 0.00 0.00 56.93 55.21 3a7q s PHE 52 Cb -0.03 -1.46 -0.00 0.00 -0.34 0.00 0.00 43.02 41.18 3a7q s PHE 52 CO 0.18 -0.36 0.80 -1.14 -1.46 0.00 0.00 175.22 173.24 3a7q s GLN 53 N 0.45 4.06 0.86 10.12 0.74 -1.26 -1.82 119.66 132.81 3a7q s GLN 53 Ca -0.17 0.73 -0.12 0.00 0.05 0.00 0.00 55.36 55.86 3a7q s GLN 53 Cb -0.17 -3.69 0.11 0.00 1.10 0.00 0.00 33.01 30.36 3a7q s GLN 53 CO 0.07 -0.60 1.10 0.00 -0.55 0.00 0.00 175.29 175.31 3a7q n ARG 55 N -3.68 0.06 0.12 0.00 1.74 -1.26 -2.13 116.66 111.51 3a7q n ARG 55 Ca 0.07 0.22 0.10 0.00 -0.77 0.00 0.00 57.85 57.47 3a7q n ARG 55 Cb 0.57 -1.59 0.47 0.00 -1.02 0.00 0.00 32.46 30.89 3a7q n ARG 55 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3a7q n ASN 56 N -1.70 0.49 0.00 0.55 5.03 -1.26 -4.85 115.26 113.52 3a7q n ASN 56 Ca 0.04 0.69 0.00 0.00 0.87 0.00 0.00 54.58 56.18 3a7q n ASN 56 Cb 0.24 -0.77 0.00 0.00 -1.02 0.00 0.00 39.78 38.23 3a7q n ASN 56 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3a7q n GLU 57 N -2.11 0.00 -1.75 3.52 1.02 -0.90 -5.03 120.64 115.38 3a7q n GLU 57 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 3a7q n GLU 57 Cb 0.10 -1.51 0.01 0.00 -0.02 0.00 0.00 31.44 30.01 3a7q n GLU 57 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3a7q n ARG 58 N -1.93 2.35 -4.69 3.49 0.63 -1.26 -4.71 116.66 110.54 3a7q n ARG 58 Ca 0.00 0.83 -0.33 0.00 -0.92 0.00 0.00 57.85 57.43 3a7q n ARG 58 Cb 0.00 -2.56 -0.13 0.00 0.45 0.00 0.00 32.46 30.21 3a7q n ARG 58 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3a7q s ILE 60 N 0.13 1.93 0.11 0.00 -4.36 -0.76 -4.95 121.20 113.30 3a7q s ILE 60 Ca -0.05 -2.21 -0.33 0.00 -0.26 0.00 0.00 60.65 57.80 3a7q s ILE 60 Cb -0.15 -2.07 -0.12 0.00 1.25 0.00 0.00 42.46 41.37 3a7q s ILE 60 CO 0.04 -0.50 1.72 -2.65 0.24 0.00 0.00 174.94 173.79 3a7q n PRO 61 N -0.32 2.39 0.25 0.37 -0.02 -1.26 -0.17 135.00 136.23 3a7q n PRO 61 Ca -0.08 0.87 0.12 0.00 -2.02 0.00 0.00 63.50 62.38 3a7q n PRO 61 Cb 0.60 -2.69 0.62 0.00 -0.02 0.00 0.00 33.50 32.01 3a7q n PRO 61 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3a7q h SER 62 N 7.32 0.00 1.00 2.55 0.87 -1.59 0.20 113.55 123.90 3a7q h SER 62 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 3a7q h SER 62 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 3a7q h SER 62 CO 0.92 0.00 0.00 0.52 -0.53 0.00 0.00 176.83 177.74 3a7q n VAL 63 N -2.49 0.05 1.10 2.23 0.31 -1.26 -2.69 118.33 115.58 3a7q n VAL 63 Ca -0.02 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.43 3a7q n VAL 63 Cb 0.31 -0.52 0.19 0.00 -0.91 0.00 0.00 33.84 32.90 3a7q n VAL 63 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3a7q n TRP 64 N -1.52 0.00 -2.12 3.52 8.01 0.70 -4.85 117.44 121.17 3a7q n TRP 64 Ca 0.07 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.84 3a7q n TRP 64 Cb 0.34 -0.10 -0.03 0.00 -2.01 0.00 0.00 31.31 29.51 3a7q n TRP 64 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.69 177.18 3a7q s ARG 65 N -2.65 4.27 -0.62 -0.99 3.52 -1.10 -3.88 118.95 117.50 3a7q s ARG 65 Ca 0.18 2.10 -0.00 0.00 -0.13 0.00 0.00 55.73 57.88 3a7q s ARG 65 Cb 0.18 -3.48 -0.01 0.00 -1.56 0.00 0.00 34.95 30.08 3a7q s ARG 65 CO 0.61 -0.58 0.52 0.00 -0.81 0.00 0.00 175.30 175.04 3a7q n ASP 67 N -2.17 0.97 -1.23 0.00 3.85 -1.25 -5.00 116.55 111.72 3a7q n ASP 67 Ca -0.13 -2.14 -0.16 0.00 -0.71 0.00 0.00 54.79 51.65 3a7q n ASP 67 Cb 0.59 -0.20 -0.07 0.00 -1.35 0.00 0.00 41.12 40.08 3a7q n ASP 67 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3a7q n GLU 68 N -0.49 -1.12 -5.07 0.11 1.02 -1.26 -4.98 120.64 108.84 3a7q n GLU 68 Ca 0.05 1.06 -0.28 0.00 -0.02 0.00 0.00 57.16 57.97 3a7q n GLU 68 Cb 0.58 -5.25 -0.16 0.00 -0.02 0.00 0.00 31.44 26.60 3a7q n GLU 68 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a7q s ASP 69 N -2.83 2.68 -0.70 1.62 -0.00 -1.26 -5.10 116.67 111.09 3a7q s ASP 69 Ca 0.00 -0.43 -0.23 0.00 -0.00 0.00 0.00 52.55 51.89 3a7q s ASP 69 Cb 0.00 -0.29 0.07 0.00 -0.00 0.00 0.00 42.92 42.70 3a7q s ASP 69 CO 0.00 0.27 1.03 -0.62 -0.00 0.00 0.00 175.17 175.85 3a7q s ASP 70 N -0.63 6.21 -0.05 0.27 2.15 -1.26 -4.82 116.67 118.54 3a7q s ASP 70 Ca 0.09 -1.00 0.21 0.00 0.43 0.00 0.00 52.55 52.27 3a7q s ASP 70 Cb -0.09 -2.44 -0.27 0.00 -0.30 0.00 0.00 42.92 39.82 3a7q s ASP 70 CO -0.00 -1.47 0.45 0.47 -0.17 0.00 0.00 175.17 174.45 3a7q n ASP 71 N 7.88 0.15 0.08 -0.34 8.00 -1.26 -4.12 116.55 126.94 3a7q n ASP 71 Ca -0.00 0.06 -0.09 0.00 0.71 0.00 0.00 54.79 55.48 3a7q n ASP 71 Cb 0.46 1.44 0.02 0.00 -0.02 0.00 0.00 41.12 43.02 3a7q n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a7q n LEU 73 N -3.75 0.00 -0.20 0.00 4.77 -1.26 -4.81 117.00 111.75 3a7q n LEU 73 Ca -0.04 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.02 3a7q n LEU 73 Cb 0.75 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.94 3a7q n LEU 73 CO 0.47 0.00 0.48 -0.90 -1.33 0.00 0.00 177.39 176.12 3a7q n ASP 74 N 0.00 1.76 -2.59 -1.43 5.75 -1.26 -5.01 116.55 113.77 3a7q n ASP 74 Ca 0.00 -2.84 -0.03 0.00 -0.01 0.00 0.00 54.79 51.91 3a7q n ASP 74 Cb 0.00 -0.38 -0.00 0.00 -1.03 0.00 0.00 41.12 39.71 3a7q n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a7q n HIS 75 N -1.07 -1.93 0.95 2.11 1.44 -1.26 -4.78 115.22 110.67 3a7q n HIS 75 Ca 0.12 0.03 0.13 0.00 -2.01 0.00 0.00 57.72 56.00 3a7q n HIS 75 Cb 0.66 -1.14 0.59 0.00 0.12 0.00 0.00 29.99 30.22 3a7q n HIS 75 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 3a7q n SER 76 N -1.56 0.02 -0.00 4.39 3.41 -1.26 -2.49 113.62 116.12 3a7q n SER 76 Ca -0.00 0.50 0.15 0.00 -0.26 0.00 0.00 58.87 59.26 3a7q n SER 76 Cb 0.50 -0.51 0.79 0.00 -0.26 0.00 0.00 64.21 64.73 3a7q n SER 76 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3a7q n ASP 77 N -1.52 0.01 0.00 4.04 5.75 -1.26 -4.06 116.55 119.50 3a7q n ASP 77 Ca 0.07 -0.28 0.00 0.00 -0.01 0.00 0.00 54.79 54.57 3a7q n ASP 77 Cb 0.33 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 3a7q n ASP 77 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3a7q n GLU 78 N -1.24 3.74 -0.20 0.11 -0.58 -1.04 -1.14 120.64 120.28 3a7q n GLU 78 Ca 0.16 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.86 3a7q n GLU 78 Cb 0.22 -0.63 0.07 0.00 -0.57 0.00 0.00 31.44 30.53 3a7q n GLU 78 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3a7q h ASP 79 N 0.00 0.53 -3.60 1.62 3.45 -1.63 -3.36 116.42 113.43 3a7q h ASP 79 Ca 0.00 0.02 -0.70 0.00 0.43 0.00 0.00 57.03 56.77 3a7q h ASP 79 Cb 0.00 -0.09 -0.33 0.00 -0.56 0.00 0.00 39.33 38.34 3a7q h ASP 79 CO 0.00 0.36 -0.46 -0.62 -1.57 0.00 0.00 179.24 176.96 3a7q s ASP 80 N -5.60 5.39 0.00 6.45 2.15 -1.26 -5.15 116.67 118.65 3a7q s ASP 80 Ca -0.13 -2.21 0.00 0.00 0.43 0.00 0.00 52.55 50.64 3a7q s ASP 80 Cb 0.14 -1.89 0.00 0.00 -0.30 0.00 0.00 42.92 40.88 3a7q s ASP 80 CO 0.75 -0.54 0.00 0.00 -0.17 0.00 0.00 175.17 175.21