#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ca7 s PHE 49 N 0.00 3.69 0.71 -1.42 0.40 -1.26 -5.06 117.98 115.05 3ca7 s PHE 49 Ca 0.00 1.26 -0.15 0.00 -0.60 0.00 0.00 56.93 57.45 3ca7 s PHE 49 Cb 0.00 -2.66 0.03 0.00 0.51 0.00 0.00 43.02 40.90 3ca7 s PHE 49 CO 0.00 0.33 1.18 -1.25 0.70 0.00 0.00 175.22 176.18 3ca7 s PRO 50 N -0.13 2.29 0.13 0.24 0.04 -1.26 -5.04 135.00 131.27 3ca7 s PRO 50 Ca 0.33 1.66 0.10 0.00 0.04 0.00 0.00 61.00 63.13 3ca7 s PRO 50 Cb -0.19 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 3ca7 s PRO 50 CO 0.19 -1.70 -0.23 0.95 0.04 0.00 0.00 177.00 176.25 3ca7 s THR 51 N -2.09 2.49 0.17 1.26 -4.23 -1.26 -4.62 115.64 107.36 3ca7 s THR 51 Ca 0.72 -1.70 0.05 0.00 -1.18 0.00 0.00 61.69 59.58 3ca7 s THR 51 Cb -0.27 -2.13 -0.05 0.00 1.34 0.00 0.00 72.50 71.40 3ca7 s THR 51 CO 0.44 0.07 -0.09 -0.31 -0.54 0.00 0.00 174.62 174.19 3ca7 s TYR 52 N -1.16 1.36 0.43 3.99 1.51 0.71 -4.91 117.35 119.27 3ca7 s TYR 52 Ca 0.16 -0.76 -0.26 0.00 -1.01 0.00 0.00 57.07 55.20 3ca7 s TYR 52 Cb -0.10 -0.70 -0.09 0.00 -0.11 0.00 0.00 41.96 40.96 3ca7 s TYR 52 CO 0.08 0.10 1.46 0.21 -1.11 0.00 0.00 175.55 176.29 3ca7 s LYS 53 N -3.75 3.81 0.63 -0.62 2.20 -1.26 -0.51 119.74 120.23 3ca7 s LYS 53 Ca 0.19 2.50 -0.13 0.00 -0.36 0.00 0.00 55.97 58.17 3ca7 s LYS 53 Cb 0.03 -2.75 -0.03 0.00 -1.51 0.00 0.00 37.83 33.57 3ca7 s LYS 53 CO 0.02 -0.75 1.04 0.00 -0.36 0.00 0.00 175.35 175.31 3ca7 n PRO 55 N -2.48 -0.93 -0.31 0.00 -0.02 -1.26 -4.58 135.00 125.42 3ca7 n PRO 55 Ca 0.08 -0.21 -0.05 0.00 -2.02 0.00 0.00 63.50 61.29 3ca7 n PRO 55 Cb 0.53 -2.29 0.07 0.00 -0.02 0.00 0.00 33.50 31.80 3ca7 n PRO 55 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3ca7 h GLU 56 N -2.07 1.22 -0.48 -0.52 5.08 -1.98 -0.13 114.58 115.71 3ca7 h GLU 56 Ca -0.47 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 57.68 3ca7 h GLU 56 Cb 1.29 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 3ca7 h GLU 56 CO 0.42 0.95 0.23 1.79 -1.00 0.00 0.00 179.01 181.40 3ca7 h THR 57 N 1.21 1.19 -0.26 1.13 1.35 -1.99 -0.31 112.91 115.23 3ca7 h THR 57 Ca 0.29 -0.54 -0.02 0.00 -0.55 0.00 0.00 66.41 65.59 3ca7 h THR 57 Cb 0.14 0.66 -0.01 0.00 -1.73 0.00 0.00 68.15 67.21 3ca7 h THR 57 CO -0.03 0.21 0.10 -0.26 -0.25 0.00 0.00 175.52 175.28 3ca7 h PHE 58 N 0.63 0.39 -0.57 4.73 -1.00 -1.83 -1.34 116.94 117.95 3ca7 h PHE 58 Ca 0.16 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.91 3ca7 h PHE 58 Cb 0.12 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.54 3ca7 h PHE 58 CO -0.01 0.42 0.37 0.22 -1.61 0.00 0.00 178.31 177.70 3ca7 h ASP 59 N 0.26 0.66 -0.01 2.17 3.58 -0.78 -1.10 116.42 121.20 3ca7 h ASP 59 Ca 0.08 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 3ca7 h ASP 59 Cb 0.19 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.08 3ca7 h ASP 59 CO -0.01 0.49 -0.10 0.00 -2.88 0.00 0.00 179.24 176.74 3ca7 h ALA 60 N 1.63 0.03 0.00 -0.78 0.00 -0.94 -3.43 119.26 115.77 3ca7 h ALA 60 Ca 0.21 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3ca7 h ALA 60 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ca7 h ALA 60 CO -0.04 -0.05 -0.90 0.91 0.00 0.00 0.00 179.25 179.17 3ca7 n TRP 61 N -4.65 0.00 -0.04 0.00 8.01 -0.52 -4.84 117.44 115.41 3ca7 n TRP 61 Ca -0.09 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 55.96 3ca7 n TRP 61 Cb 0.40 -0.01 -0.08 0.00 -2.01 0.00 0.00 31.31 29.61 3ca7 n TRP 61 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.69 175.76 3ca7 h TYR 62 N 0.00 0.35 -3.09 -5.99 3.20 -1.34 -3.44 116.97 106.66 3ca7 h TYR 62 Ca 0.00 -0.12 -0.62 0.00 3.14 0.00 0.00 58.73 61.14 3ca7 h TYR 62 Cb 0.02 -0.07 -0.09 0.00 1.54 0.00 0.00 36.73 38.12 3ca7 h TYR 62 CO 0.00 0.75 -0.41 0.00 -1.64 0.00 0.00 178.16 176.86 3ca7 s LEU 64 N -0.11 3.26 -1.40 0.00 1.43 0.26 -4.59 118.68 117.53 3ca7 s LEU 64 Ca 0.14 -0.88 -0.08 0.00 -1.03 0.00 0.00 54.13 52.28 3ca7 s LEU 64 Cb -0.12 -1.74 0.04 0.00 0.03 0.00 0.00 46.19 44.39 3ca7 s LEU 64 CO 0.03 -0.51 1.00 0.59 0.23 0.00 0.00 176.35 177.68 3ca7 n ASN 65 N -1.32 -4.29 -0.33 2.29 3.02 -1.26 -1.63 115.26 111.73 3ca7 n ASN 65 Ca -0.00 -0.69 -0.04 0.00 -0.03 0.00 0.00 54.58 53.81 3ca7 n ASN 65 Cb 0.63 -4.43 -0.02 0.00 -0.61 0.00 0.00 39.78 35.35 3ca7 n ASN 65 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3ca7 n ASP 66 N -2.97 -4.22 -4.76 6.41 8.00 -1.26 -4.46 116.55 113.29 3ca7 n ASP 66 Ca -0.07 0.11 -0.31 0.00 0.71 0.00 0.00 54.79 55.22 3ca7 n ASP 66 Cb 0.58 -2.10 0.09 0.00 -0.02 0.00 0.00 41.12 39.67 3ca7 n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ca7 s ALA 67 N -1.92 2.21 -0.12 2.24 0.00 -0.65 -4.53 121.76 119.00 3ca7 s ALA 67 Ca 0.00 0.32 -0.00 0.00 0.00 0.00 0.00 51.96 52.28 3ca7 s ALA 67 Cb 0.00 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 3ca7 s ALA 67 CO 0.00 -1.80 -0.12 -1.01 0.00 0.00 0.00 175.76 172.83 3ca7 s HIS 68 N -2.83 2.83 0.20 0.00 3.76 -0.58 -4.68 115.29 113.99 3ca7 s HIS 68 Ca 0.62 -0.51 -0.29 0.00 -0.15 0.00 0.00 55.06 54.73 3ca7 s HIS 68 Cb -0.18 -1.82 -0.08 0.00 1.11 0.00 0.00 32.58 31.61 3ca7 s HIS 68 CO 0.55 -0.11 0.92 0.00 -0.85 0.00 0.00 174.74 175.24 3ca7 s PHE 70 N -0.91 0.24 -0.02 0.00 -0.12 -0.11 -4.41 117.98 112.64 3ca7 s PHE 70 Ca 0.41 -0.48 0.03 0.00 -0.05 0.00 0.00 56.93 56.84 3ca7 s PHE 70 Cb -0.25 -0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 41.94 3ca7 s PHE 70 CO 0.30 -0.19 -0.09 0.00 -0.05 0.00 0.00 175.22 175.20 3ca7 s ALA 71 N -1.40 2.93 0.25 1.99 0.00 0.34 -1.04 121.76 124.83 3ca7 s ALA 71 Ca -0.15 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 50.90 3ca7 s ALA 71 Cb -0.09 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 3ca7 s ALA 71 CO -0.01 0.59 -0.12 0.14 0.00 0.00 0.00 175.76 176.37 3ca7 s VAL 72 N -0.90 1.82 -0.18 0.00 -7.23 -0.61 -0.21 120.40 113.10 3ca7 s VAL 72 Ca 0.15 -2.21 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 3ca7 s VAL 72 Cb -0.11 -2.26 0.01 0.00 0.56 0.00 0.00 36.38 34.59 3ca7 s VAL 72 CO 0.05 -0.44 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.47 3ca7 s LYS 73 N -3.66 3.09 -0.21 4.82 2.20 -1.26 -0.53 119.74 124.18 3ca7 s LYS 73 Ca 0.27 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 55.09 3ca7 s LYS 73 Cb 0.00 -2.63 0.03 0.00 -1.51 0.00 0.00 37.83 33.72 3ca7 s LYS 73 CO 0.10 -0.16 -0.14 0.42 -0.36 0.00 0.00 175.35 175.22 3ca7 s ILE 74 N 1.20 2.37 -1.41 5.43 1.01 0.06 -4.74 121.20 125.13 3ca7 s ILE 74 Ca 0.02 -1.06 -0.04 0.00 0.00 0.00 0.00 60.65 59.57 3ca7 s ILE 74 Cb -0.14 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.21 3ca7 s ILE 74 CO -0.08 0.34 0.35 0.00 0.00 0.00 0.00 174.94 175.55 3ca7 n ALA 75 N 4.61 -2.11 -0.95 9.38 0.00 -1.26 -1.43 120.51 128.75 3ca7 n ALA 75 Ca -0.18 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3ca7 n ALA 75 Cb 0.48 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3ca7 n ALA 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ca7 n ASP 76 N -2.87 -2.77 -4.31 0.00 8.00 -1.26 -5.01 116.55 108.33 3ca7 n ASP 76 Ca -0.28 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 54.88 3ca7 n ASP 76 Cb 0.67 -1.26 -0.15 0.00 -0.02 0.00 0.00 41.12 40.36 3ca7 n ASP 76 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ca7 s LEU 77 N 0.00 2.65 0.16 0.64 2.96 -0.51 -5.09 118.68 119.48 3ca7 s LEU 77 Ca 0.00 -0.40 -0.30 0.00 -0.22 0.00 0.00 54.13 53.20 3ca7 s LEU 77 Cb 0.00 -1.62 -0.08 0.00 0.50 0.00 0.00 46.19 44.99 3ca7 s LEU 77 CO 0.00 0.09 1.31 -2.84 -1.32 0.00 0.00 176.35 173.59 3ca7 s PRO 78 N 0.81 4.38 -0.13 0.98 0.02 -1.26 -0.76 135.00 139.04 3ca7 s PRO 78 Ca -0.04 2.02 0.01 0.00 0.02 0.00 0.00 61.00 63.00 3ca7 s PRO 78 Cb -0.15 -3.23 0.02 0.00 0.02 0.00 0.00 34.50 31.16 3ca7 s PRO 78 CO 0.01 -0.29 -0.15 0.08 -0.33 0.00 0.00 177.00 176.31 3ca7 s VAL 79 N 0.50 1.54 -0.12 3.83 1.01 0.31 -4.95 120.40 122.51 3ca7 s VAL 79 Ca 0.59 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 3ca7 s VAL 79 Cb -0.35 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3ca7 s VAL 79 CO 0.35 0.45 0.13 -0.31 0.00 0.00 0.00 175.10 175.72 3ca7 s TYR 80 N 1.23 3.56 0.14 5.22 1.51 -1.26 -1.57 117.35 126.18 3ca7 s TYR 80 Ca -0.01 0.50 -0.02 0.00 -1.01 0.00 0.00 57.07 56.53 3ca7 s TYR 80 Cb -0.14 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 3ca7 s TYR 80 CO -0.06 0.70 0.09 -1.12 -1.11 0.00 0.00 175.55 174.05 3ca7 s SER 81 N -0.94 0.26 -0.12 2.29 0.01 -0.20 -5.00 113.70 110.00 3ca7 s SER 81 Ca 0.14 -1.16 0.03 0.00 1.31 0.00 0.00 55.95 56.27 3ca7 s SER 81 Cb -0.12 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.43 3ca7 s SER 81 CO 0.04 -0.76 -0.22 0.00 0.41 0.00 0.00 173.24 172.70 3ca7 s GLU 83 N 0.50 3.25 0.44 0.00 2.12 0.23 -4.90 118.70 120.35 3ca7 s GLU 83 Ca -0.14 -0.50 -0.22 0.00 0.36 0.00 0.00 54.97 54.47 3ca7 s GLU 83 Cb -0.17 -4.02 -0.08 0.00 0.26 0.00 0.00 34.13 30.11 3ca7 s GLU 83 CO 0.05 -1.21 1.06 0.00 -0.54 0.00 0.00 175.26 174.63 3ca7 s ALA 85 N -1.75 2.04 0.27 0.00 0.00 -1.26 -4.94 121.76 116.12 3ca7 s ALA 85 Ca 0.62 0.77 -0.30 0.00 0.00 0.00 0.00 51.96 53.04 3ca7 s ALA 85 Cb -0.21 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.34 3ca7 s ALA 85 CO 0.26 -1.98 1.51 -0.89 0.00 0.00 0.00 175.76 174.66 3ca7 n ILE 86 N -3.01 1.03 -0.09 0.00 5.41 -1.26 -2.47 119.36 118.97 3ca7 n ILE 86 Ca 0.13 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.62 3ca7 n ILE 86 Cb 0.51 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.69 3ca7 n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ca7 n GLY 87 N 2.10 0.54 3.27 7.39 0.00 -1.26 -5.06 105.19 112.18 3ca7 n GLY 87 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 3ca7 n GLY 87 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ca7 s PHE 88 N -2.19 1.68 0.08 1.61 0.40 -1.03 0.42 117.98 118.95 3ca7 s PHE 88 Ca 0.00 -0.43 -0.05 0.00 -0.60 0.00 0.00 56.93 55.85 3ca7 s PHE 88 Cb 0.00 -0.92 -0.02 0.00 0.51 0.00 0.00 43.02 42.59 3ca7 s PHE 88 CO 0.00 0.19 0.08 1.41 0.70 0.00 0.00 175.22 177.60 3ca7 s MET 89 N -1.95 0.75 0.00 0.44 1.75 0.66 -4.76 119.30 116.19 3ca7 s MET 89 Ca 0.06 -1.11 0.00 0.00 -1.25 0.00 0.00 55.69 53.39 3ca7 s MET 89 Cb -0.10 0.28 0.00 0.00 2.84 0.00 0.00 34.83 37.85 3ca7 s MET 89 CO 0.04 -0.20 0.00 0.41 -0.65 0.00 0.00 175.02 174.62 3ca7 n GLY 90 N 0.01 2.79 0.31 2.11 0.00 -1.26 -0.84 105.19 108.31 3ca7 n GLY 90 Ca -0.14 -2.04 0.15 0.00 0.00 0.00 0.00 46.02 43.99 3ca7 n GLY 90 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3ca7 h GLN 91 N 0.00 0.28 -0.27 1.61 4.15 -2.00 -0.68 115.11 118.19 3ca7 h GLN 91 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3ca7 h GLN 91 Cb 0.00 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.63 3ca7 h GLN 91 CO 0.00 0.18 0.00 0.54 -1.93 0.00 0.00 178.83 177.62 3ca7 n ARG 92 N -5.14 2.83 -3.85 1.69 1.74 -1.26 -4.25 116.66 108.42 3ca7 n ARG 92 Ca 0.23 -2.52 -0.30 0.00 -0.77 0.00 0.00 57.85 54.50 3ca7 n ARG 92 Cb 0.73 -1.61 0.02 0.00 -1.02 0.00 0.00 32.46 30.59 3ca7 n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ca7 h GLU 94 N -1.99 0.00 -5.16 0.00 9.09 -1.68 -3.40 114.58 111.44 3ca7 h GLU 94 Ca -0.57 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 58.22 3ca7 h GLU 94 Cb 1.37 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 28.33 3ca7 h GLU 94 CO 0.66 0.00 -0.34 0.71 0.05 0.00 0.00 179.01 180.09 3ca7 s TYR 95 N -3.18 3.29 -0.81 2.06 2.02 -0.02 -4.96 117.35 115.75 3ca7 s TYR 95 Ca 0.05 0.37 -0.26 0.00 -0.37 0.00 0.00 57.07 56.86 3ca7 s TYR 95 Cb 0.13 -2.46 0.03 0.00 -0.40 0.00 0.00 41.96 39.26 3ca7 s TYR 95 CO 0.74 -0.10 1.39 0.21 -1.57 0.00 0.00 175.55 176.23 3ca7 s LYS 96 N 1.60 3.23 0.00 -0.62 2.20 -1.26 -0.24 119.74 124.64 3ca7 s LYS 96 Ca 0.13 -0.40 0.29 0.00 -0.36 0.00 0.00 55.97 55.63 3ca7 s LYS 96 Cb -0.15 -4.52 1.72 0.00 -1.51 0.00 0.00 37.83 33.37 3ca7 s LYS 96 CO 0.08 -2.25 2.06 -1.91 -0.36 0.00 0.00 175.35 172.97