#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c9a s THR 51 N 0.00 4.27 0.09 0.52 -4.23 -1.26 -4.73 115.64 110.31 3c9a s THR 51 Ca 0.00 0.98 0.09 0.00 -1.18 0.00 0.00 61.69 61.58 3c9a s THR 51 Cb 0.00 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 3c9a s THR 51 CO 0.00 -0.73 -0.21 -0.31 -0.54 0.00 0.00 174.62 172.83 3c9a s TYR 52 N -2.72 2.47 0.34 3.99 2.02 0.48 -4.95 117.35 118.98 3c9a s TYR 52 Ca 0.60 -0.30 -0.29 0.00 -0.37 0.00 0.00 57.07 56.71 3c9a s TYR 52 Cb -0.12 -1.36 -0.11 0.00 -0.40 0.00 0.00 41.96 39.97 3c9a s TYR 52 CO 0.40 0.32 1.49 0.21 -1.57 0.00 0.00 175.55 176.39 3c9a s LYS 53 N -1.86 4.16 0.45 -0.62 2.20 -1.26 -0.63 119.74 122.17 3c9a s LYS 53 Ca 0.16 2.51 -0.23 0.00 -0.36 0.00 0.00 55.97 58.04 3c9a s LYS 53 Cb -0.10 -3.01 -0.08 0.00 -1.51 0.00 0.00 37.83 33.13 3c9a s LYS 53 CO 0.07 -0.51 1.13 0.00 -0.36 0.00 0.00 175.35 175.69 3c9a n PRO 55 N -0.43 0.27 -0.27 0.00 -0.02 -1.26 -4.51 135.00 128.78 3c9a n PRO 55 Ca 0.07 0.15 0.04 0.00 -2.02 0.00 0.00 63.50 61.74 3c9a n PRO 55 Cb 0.49 -2.18 0.12 0.00 -0.02 0.00 0.00 33.50 31.91 3c9a n PRO 55 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3c9a h GLU 56 N -0.64 0.03 -0.19 -0.52 4.81 -1.98 0.20 114.58 116.28 3c9a h GLU 56 Ca -0.46 -0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.64 3c9a h GLU 56 Cb 1.32 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 3c9a h GLU 56 CO 0.44 0.02 -0.44 0.00 -0.73 0.00 0.00 179.01 178.30 3c9a h THR 57 N 0.03 1.31 -0.24 0.32 1.03 -2.00 -0.99 112.91 112.38 3c9a h THR 57 Ca 0.40 -1.62 -0.07 0.00 -0.01 0.00 0.00 66.41 65.11 3c9a h THR 57 Cb 0.65 1.65 -0.01 0.00 -1.07 0.00 0.00 68.15 69.37 3c9a h THR 57 CO -0.77 0.50 -0.11 -0.26 -0.01 0.00 0.00 175.52 174.88 3c9a h PHE 58 N 0.37 0.57 -0.46 0.00 0.04 -1.49 -2.37 116.94 113.61 3c9a h PHE 58 Ca 0.03 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 3c9a h PHE 58 Cb 0.92 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.92 3c9a h PHE 58 CO 0.03 0.76 0.24 0.22 -0.60 0.00 0.00 178.31 178.96 3c9a h ASP 59 N 0.22 0.56 0.22 2.17 3.58 -0.31 -0.86 116.42 121.99 3c9a h ASP 59 Ca 0.06 -0.04 -0.25 0.00 0.42 0.00 0.00 57.03 57.22 3c9a h ASP 59 Cb 0.60 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.52 3c9a h ASP 59 CO 0.03 0.46 -1.03 0.00 -2.88 0.00 0.00 179.24 175.83 3c9a h ALA 60 N 1.63 0.23 0.00 -0.78 0.00 -1.15 -3.43 119.26 115.76 3c9a h ALA 60 Ca 0.16 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3c9a h ALA 60 Cb 0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3c9a h ALA 60 CO -0.03 0.77 -0.57 0.91 0.00 0.00 0.00 179.25 180.33 3c9a n TRP 61 N -3.78 0.00 -0.02 0.00 7.02 -0.90 -4.87 117.44 114.90 3c9a n TRP 61 Ca -0.09 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.29 3c9a n TRP 61 Cb 0.88 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.69 3c9a n TRP 61 CO 0.00 0.00 0.00 -0.92 -2.02 0.00 0.00 177.69 174.75 3c9a h TYR 62 N 0.00 -0.07 -3.30 -5.99 3.20 -1.33 -3.45 116.97 106.03 3c9a h TYR 62 Ca 0.00 -0.00 -0.57 0.00 3.14 0.00 0.00 58.73 61.30 3c9a h TYR 62 Cb 0.00 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.24 3c9a h TYR 62 CO 0.00 0.50 -0.02 0.00 -1.64 0.00 0.00 178.16 177.00 3c9a s LEU 64 N -0.17 3.51 -1.40 0.00 1.43 0.25 -4.57 118.68 117.73 3c9a s LEU 64 Ca 0.31 -0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 3c9a s LEU 64 Cb -0.18 -2.33 0.04 0.00 0.03 0.00 0.00 46.19 43.75 3c9a s LEU 64 CO 0.17 -0.70 0.92 0.59 0.23 0.00 0.00 176.35 177.56 3c9a n ASN 65 N -1.69 -3.59 -1.40 2.29 5.03 -1.26 -1.78 115.26 112.86 3c9a n ASN 65 Ca 0.06 -0.74 -0.18 0.00 0.87 0.00 0.00 54.58 54.58 3c9a n ASN 65 Cb 0.60 -4.23 -0.08 0.00 -1.02 0.00 0.00 39.78 35.06 3c9a n ASN 65 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3c9a n ASP 66 N -2.96 -5.31 -4.76 6.41 8.00 -1.26 -4.49 116.55 112.18 3c9a n ASP 66 Ca -0.11 0.45 -0.32 0.00 0.71 0.00 0.00 54.79 55.53 3c9a n ASP 66 Cb 0.59 -4.42 0.09 0.00 -0.02 0.00 0.00 41.12 37.36 3c9a n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3c9a s ALA 67 N -2.65 2.23 -0.21 2.24 0.00 -0.73 -4.67 121.76 117.97 3c9a s ALA 67 Ca 0.00 0.42 -0.09 0.00 0.00 0.00 0.00 51.96 52.29 3c9a s ALA 67 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 3c9a s ALA 67 CO 0.00 -1.74 0.11 -1.58 0.00 0.00 0.00 175.76 172.55 3c9a s HIS 68 N -2.65 3.27 0.09 0.00 2.46 -0.30 -4.76 115.29 113.39 3c9a s HIS 68 Ca 0.64 0.10 -0.23 0.00 0.47 0.00 0.00 55.06 56.04 3c9a s HIS 68 Cb -0.19 -2.18 -0.07 0.00 -0.13 0.00 0.00 32.58 30.01 3c9a s HIS 68 CO 0.51 0.08 0.70 0.00 -2.47 0.00 0.00 174.74 173.56 3c9a s PHE 70 N -0.71 0.24 -0.05 0.00 -0.71 -0.41 -4.39 117.98 111.95 3c9a s PHE 70 Ca 0.34 -0.62 0.06 0.00 -1.04 0.00 0.00 56.93 55.67 3c9a s PHE 70 Cb -0.21 -0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.58 3c9a s PHE 70 CO 0.22 -0.66 -0.24 0.00 -1.34 0.00 0.00 175.22 173.20 3c9a s ALA 71 N -3.91 2.08 -0.14 1.99 0.00 0.20 -0.47 121.76 121.51 3c9a s ALA 71 Ca 0.11 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 3c9a s ALA 71 Cb 0.04 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 3c9a s ALA 71 CO -0.05 0.42 -0.09 0.08 0.00 0.00 0.00 175.76 176.12 3c9a s VAL 72 N -0.24 3.42 -0.64 0.00 1.01 -0.50 -0.39 120.40 123.06 3c9a s VAL 72 Ca -0.01 -0.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 3c9a s VAL 72 Cb -0.13 -2.47 0.11 0.00 0.00 0.00 0.00 36.38 33.89 3c9a s VAL 72 CO 0.02 0.51 0.79 -0.75 0.00 0.00 0.00 175.10 175.67 3c9a s LYS 73 N 0.34 3.13 -0.16 2.72 2.20 -1.26 0.30 119.74 127.01 3c9a s LYS 73 Ca -0.08 -1.33 -0.19 0.00 -0.36 0.00 0.00 55.97 54.01 3c9a s LYS 73 Cb -0.15 -4.32 -0.23 0.00 -1.51 0.00 0.00 37.83 31.62 3c9a s LYS 73 CO 0.05 -1.60 0.37 0.82 -0.36 0.00 0.00 175.35 174.63 3c9a h ILE 74 N 5.87 0.99 0.00 5.43 2.04 -1.96 -3.47 117.51 126.41 3c9a h ILE 74 Ca -0.24 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.35 3c9a h ILE 74 Cb 1.08 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.65 3c9a h ILE 74 CO 1.10 0.51 0.00 0.00 0.00 0.00 0.00 178.15 179.76 3c9a n ALA 75 N -3.17 0.24 -0.02 1.87 0.00 -1.26 -5.05 120.51 113.12 3c9a n ALA 75 Ca -0.28 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.14 3c9a n ALA 75 Cb 0.76 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.19 3c9a n ALA 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3c9a n ASP 76 N 0.00 4.08 -4.90 0.00 8.00 -1.26 -5.06 116.55 117.42 3c9a n ASP 76 Ca 0.00 -0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.19 3c9a n ASP 76 Cb 0.00 0.46 -0.04 0.00 -0.02 0.00 0.00 41.12 41.51 3c9a n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3c9a s LEU 77 N -4.44 4.22 0.30 0.64 1.02 -1.26 -5.03 118.68 114.13 3c9a s LEU 77 Ca -0.02 0.60 -0.29 0.00 0.02 0.00 0.00 54.13 54.44 3c9a s LEU 77 Cb 0.01 -3.35 -0.10 0.00 0.02 0.00 0.00 46.19 42.77 3c9a s LEU 77 CO 0.13 -0.01 1.24 -2.16 0.02 0.00 0.00 176.35 175.57 3c9a s PRO 78 N -2.91 4.45 -0.41 1.29 0.04 -1.26 -4.04 135.00 132.15 3c9a s PRO 78 Ca 0.42 2.07 -0.12 0.00 0.04 0.00 0.00 61.00 63.40 3c9a s PRO 78 Cb -0.12 -3.12 0.05 0.00 0.04 0.00 0.00 34.50 31.35 3c9a s PRO 78 CO 0.26 -0.08 0.27 0.08 0.04 0.00 0.00 177.00 177.57 3c9a s VAL 79 N -0.96 4.75 0.12 -0.36 1.01 0.15 -4.92 120.40 120.18 3c9a s VAL 79 Ca 0.49 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 3c9a s VAL 79 Cb -0.37 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 3c9a s VAL 79 CO 0.47 -0.38 1.02 -0.31 0.00 0.00 0.00 175.10 175.91 3c9a s TYR 80 N 1.56 3.71 0.05 5.22 2.02 -1.26 -1.41 117.35 127.23 3c9a s TYR 80 Ca 0.03 1.69 -0.01 0.00 -0.37 0.00 0.00 57.07 58.41 3c9a s TYR 80 Cb -0.21 -3.15 -0.04 0.00 -0.40 0.00 0.00 41.96 38.16 3c9a s TYR 80 CO 0.06 -0.17 -0.02 -1.12 -1.57 0.00 0.00 175.55 172.74 3c9a s SER 81 N 0.15 0.45 -0.16 2.29 0.01 0.38 -5.00 113.70 111.82 3c9a s SER 81 Ca 0.49 -0.94 0.01 0.00 1.31 0.00 0.00 55.95 56.82 3c9a s SER 81 Cb -0.25 0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.20 3c9a s SER 81 CO 0.31 -0.58 -0.16 0.00 0.41 0.00 0.00 173.24 173.22 3c9a s GLU 83 N 1.38 3.40 0.38 0.00 2.56 0.67 -4.87 118.70 122.22 3c9a s GLU 83 Ca 0.04 -0.13 -0.25 0.00 0.00 0.00 0.00 54.97 54.63 3c9a s GLU 83 Cb -0.13 -3.97 -0.09 0.00 2.00 0.00 0.00 34.13 31.94 3c9a s GLU 83 CO -0.11 -1.22 1.12 0.00 -0.56 0.00 0.00 175.26 174.49 3c9a s ALA 85 N -1.46 1.20 0.19 0.00 0.00 -1.26 -4.90 121.76 115.52 3c9a s ALA 85 Ca 0.56 0.35 -0.33 0.00 0.00 0.00 0.00 51.96 52.54 3c9a s ALA 85 Cb -0.28 -3.37 -0.13 0.00 0.00 0.00 0.00 23.12 19.35 3c9a s ALA 85 CO 0.35 -2.82 1.67 -0.89 0.00 0.00 0.00 175.76 174.08 3c9a n ILE 86 N -4.25 0.00 -0.49 0.00 5.41 -1.26 -2.49 119.36 116.28 3c9a n ILE 86 Ca 0.09 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 3c9a n ILE 86 Cb 0.53 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.64 3c9a n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3c9a n GLY 87 N 3.76 0.75 3.41 7.39 0.00 -1.26 -5.06 105.19 114.18 3c9a n GLY 87 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 3c9a n GLY 87 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3c9a s PHE 88 N -2.19 2.19 0.21 1.61 0.08 -1.04 -0.99 117.98 117.85 3c9a s PHE 88 Ca 0.00 -0.38 -0.14 0.00 0.12 0.00 0.00 56.93 56.53 3c9a s PHE 88 Cb 0.00 -1.07 0.01 0.00 -0.57 0.00 0.00 43.02 41.38 3c9a s PHE 88 CO 0.00 0.48 0.47 0.00 -0.10 0.00 0.00 175.22 176.07 3c9a s MET 89 N -2.77 1.42 0.00 0.44 0.23 0.51 -4.77 119.30 114.36 3c9a s MET 89 Ca 0.20 -1.07 0.00 0.00 -1.03 0.00 0.00 55.69 53.79 3c9a s MET 89 Cb -0.07 0.48 0.00 0.00 -1.53 0.00 0.00 34.83 33.71 3c9a s MET 89 CO 0.10 -0.59 0.00 0.41 -2.03 0.00 0.00 175.02 172.91 3c9a n GLY 90 N -0.34 1.55 0.26 3.16 0.00 -1.26 -1.32 105.19 107.25 3c9a n GLY 90 Ca -0.06 -2.08 0.03 0.00 0.00 0.00 0.00 46.02 43.91 3c9a n GLY 90 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3c9a h GLN 91 N 0.00 0.40 -0.14 1.61 4.15 -2.01 -1.64 115.11 117.48 3c9a h GLN 91 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3c9a h GLN 91 Cb 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.60 3c9a h GLN 91 CO 0.00 0.26 0.00 0.54 -1.93 0.00 0.00 178.83 177.70 3c9a n ARG 92 N -5.02 2.21 -3.32 1.69 1.74 -1.26 -4.27 116.66 108.43 3c9a n ARG 92 Ca 0.12 -2.69 -0.24 0.00 -0.77 0.00 0.00 57.85 54.27 3c9a n ARG 92 Cb 0.37 -1.67 0.05 0.00 -1.02 0.00 0.00 32.46 30.19 3c9a n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3c9a n GLU 94 N -4.45 0.43 -4.42 0.00 0.00 -1.06 -4.47 120.64 106.66 3c9a n GLU 94 Ca -0.05 -0.25 -0.33 0.00 0.00 0.00 0.00 57.16 56.53 3c9a n GLU 94 Cb 0.59 -1.49 -0.10 0.00 0.00 0.00 0.00 31.44 30.43 3c9a n GLU 94 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 3c9a s TYR 95 N -2.75 2.98 0.13 -1.84 2.02 -0.43 -4.97 117.35 112.49 3c9a s TYR 95 Ca 0.18 0.03 -0.22 0.00 -0.37 0.00 0.00 57.07 56.69 3c9a s TYR 95 Cb 0.18 -1.66 -0.07 0.00 -0.40 0.00 0.00 41.96 40.01 3c9a s TYR 95 CO 0.61 0.40 0.67 0.21 -1.57 0.00 0.00 175.55 175.88 3c9a s LYS 96 N -1.31 4.36 0.00 -0.62 2.47 -1.26 -0.36 119.74 123.02 3c9a s LYS 96 Ca 0.17 0.92 0.32 0.00 -1.56 0.00 0.00 55.97 55.82 3c9a s LYS 96 Cb -0.11 -3.21 1.84 0.00 -1.46 0.00 0.00 37.83 34.89 3c9a s LYS 96 CO 0.07 0.59 2.19 0.39 0.16 0.00 0.00 175.35 178.75