#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 4.29 0.18 0.52 -4.23 -1.26 -4.58 115.64 110.56 3c9a s THR 51 Ca 0.00 1.51 0.11 0.00 -1.18 0.00 0.00 61.69 62.12 3c9a s THR 51 Cb 0.00 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 3c9a s THR 51 CO 0.00 -0.23 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.34 3c9a s TYR 52 N -2.06 2.40 0.39 3.99 2.02 0.76 -4.95 117.35 119.90 3c9a s TYR 52 Ca 0.60 -0.32 -0.26 0.00 -0.37 0.00 0.00 57.07 56.73 3c9a s TYR 52 Cb -0.11 -1.19 -0.09 0.00 -0.40 0.00 0.00 41.96 40.16 3c9a s TYR 52 CO 0.16 0.49 1.23 0.21 -1.57 0.00 0.00 175.55 176.07 3c9a s LYS 53 N -2.66 4.07 0.59 -0.62 2.20 -1.26 -0.48 119.74 121.58 3c9a s LYS 53 Ca 0.21 2.00 -0.15 0.00 -0.36 0.00 0.00 55.97 57.67 3c9a s LYS 53 Cb -0.08 -2.77 -0.04 0.00 -1.51 0.00 0.00 37.83 33.43 3c9a s LYS 53 CO 0.11 -0.35 1.04 0.00 -0.36 0.00 0.00 175.35 175.78 3c9a s PRO 55 N -4.34 2.27 0.24 0.00 0.02 -1.26 -4.65 135.00 127.27 3c9a s PRO 55 Ca 0.61 1.46 -0.09 0.00 0.02 0.00 0.00 61.00 63.00 3c9a s PRO 55 Cb -0.14 -1.88 0.37 0.00 0.02 0.00 0.00 34.50 32.87 3c9a s PRO 55 CO 0.40 -1.67 1.63 1.49 -0.33 0.00 0.00 177.00 178.51 3c9a h GLU 56 N -0.56 0.06 -0.13 5.54 4.81 -1.98 0.81 114.58 123.13 3c9a h GLU 56 Ca -0.46 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.61 3c9a h GLU 56 Cb 1.26 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 3c9a h GLU 56 CO 0.51 0.04 -0.59 1.15 -0.73 0.00 0.00 179.01 179.38 3c9a h THR 57 N 0.06 1.35 -0.18 0.32 2.02 -1.98 0.22 112.91 114.72 3c9a h THR 57 Ca 0.38 -1.90 -0.01 0.00 0.77 0.00 0.00 66.41 65.65 3c9a h THR 57 Cb 0.63 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 3c9a h THR 57 CO -0.68 0.58 0.08 -0.26 0.37 0.00 0.00 175.52 175.61 3c9a h PHE 58 N 0.32 0.26 -0.63 3.16 0.04 -1.58 0.10 116.94 118.61 3c9a h PHE 58 Ca -0.00 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.81 3c9a h PHE 58 Cb 1.13 -0.08 -0.06 0.00 2.20 0.00 0.00 35.95 39.14 3c9a h PHE 58 CO 0.04 0.29 0.33 0.22 -0.60 0.00 0.00 178.31 178.58 3c9a h ASP 59 N 0.15 0.47 -0.18 2.17 3.58 -0.56 0.32 116.42 122.38 3c9a h ASP 59 Ca 0.06 0.04 -0.18 0.00 0.42 0.00 0.00 57.03 57.37 3c9a h ASP 59 Cb 0.13 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 3c9a h ASP 59 CO -0.01 0.30 -0.56 0.00 -2.88 0.00 0.00 179.24 176.09 3c9a h ALA 60 N 1.34 0.52 0.00 -0.78 0.00 -0.34 -3.41 119.26 116.59 3c9a h ALA 60 Ca 0.29 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3c9a h ALA 60 Cb 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3c9a h ALA 60 CO -0.19 0.69 -0.77 0.91 0.00 0.00 0.00 179.25 179.89 3c9a n TRP 61 N -3.99 0.00 0.07 0.00 7.02 0.34 -4.89 117.44 115.99 3c9a n TRP 61 Ca -0.04 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.35 3c9a n TRP 61 Cb 0.63 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.46 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 -0.24 -3.32 -5.99 3.20 -1.07 -3.45 116.97 106.10 3c9a h TYR 62 Ca 0.00 -0.01 -0.57 0.00 3.14 0.00 0.00 58.73 61.30 3c9a h TYR 62 Cb 0.00 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.29 3c9a h TYR 62 CO 0.00 0.11 -0.01 0.00 -1.64 0.00 0.00 178.16 176.63 3c9a s LEU 64 N 0.03 3.72 -1.44 0.00 1.43 0.22 -4.59 118.68 118.04 3c9a s LEU 64 Ca 0.32 -0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 52.99 3c9a s LEU 64 Cb -0.18 -2.70 0.05 0.00 0.03 0.00 0.00 46.19 43.39 3c9a s LEU 64 CO 0.17 -0.70 1.00 0.59 0.23 0.00 0.00 176.35 177.64 3c9a n ASN 65 N -1.83 -4.55 -1.76 2.29 5.03 -1.26 -1.49 115.26 111.68 3c9a n ASN 65 Ca 0.06 -0.72 -0.20 0.00 0.87 0.00 0.00 54.58 54.59 3c9a n ASN 65 Cb 0.59 -4.27 -0.07 0.00 -1.02 0.00 0.00 39.78 35.01 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 -2.93 -5.39 -4.72 6.41 8.00 -1.26 -4.55 116.55 112.11 3c9a n ASP 66 Ca -0.03 0.39 -0.31 0.00 0.71 0.00 0.00 54.79 55.55 3c9a n ASP 66 Cb 0.56 -4.71 0.13 0.00 -0.02 0.00 0.00 41.12 37.08 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 -2.77 1.78 -0.21 2.24 0.00 -0.56 -4.64 121.76 117.61 3c9a s ALA 67 Ca 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 51.96 52.15 3c9a s ALA 67 Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3c9a s ALA 67 CO 0.00 -2.25 0.08 -1.58 0.00 0.00 0.00 175.76 172.02 3c9a s HIS 68 N -2.82 3.23 0.22 0.00 2.46 -0.50 -4.78 115.29 113.10 3c9a s HIS 68 Ca 0.63 0.00 -0.26 0.00 0.47 0.00 0.00 55.06 55.91 3c9a s HIS 68 Cb -0.19 -2.15 -0.09 0.00 -0.13 0.00 0.00 32.58 30.02 3c9a s HIS 68 CO 0.57 0.03 0.84 0.00 -2.47 0.00 0.00 174.74 173.71 3c9a s PHE 70 N -1.31 -0.20 0.02 0.00 -0.71 -0.62 -4.36 117.98 110.81 3c9a s PHE 70 Ca 0.41 -0.12 0.07 0.00 -1.04 0.00 0.00 56.93 56.25 3c9a s PHE 70 Cb -0.22 0.38 -0.02 0.00 -1.21 0.00 0.00 43.02 41.95 3c9a s PHE 70 CO 0.26 -0.86 -0.21 0.00 -1.34 0.00 0.00 175.22 173.07 3c9a s ALA 71 N -3.84 1.79 -0.09 1.99 0.00 0.37 -0.98 121.76 120.99 3c9a s ALA 71 Ca 0.06 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.03 3c9a s ALA 71 Cb -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 3c9a s ALA 71 CO -0.07 0.42 -0.15 0.08 0.00 0.00 0.00 175.76 176.05 3c9a s VAL 72 N -0.67 2.94 -0.47 0.00 1.01 0.03 -0.17 120.40 123.08 3c9a s VAL 72 Ca 0.08 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.14 3c9a s VAL 72 Cb -0.09 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.14 3c9a s VAL 72 CO 0.01 0.55 0.59 -0.75 0.00 0.00 0.00 175.10 175.50 3c9a s LYS 73 N -0.08 3.17 -0.19 2.72 2.20 -1.26 0.21 119.74 126.51 3c9a s LYS 73 Ca -0.03 -0.69 -0.16 0.00 -0.36 0.00 0.00 55.97 54.73 3c9a s LYS 73 Cb -0.14 -4.02 -0.07 0.00 -1.51 0.00 0.00 37.83 32.09 3c9a s LYS 73 CO 0.04 -1.07 -0.30 -0.89 -0.36 0.00 0.00 175.35 172.76 3c9a n ILE 74 N 5.66 1.49 -3.25 5.43 5.41 -1.22 -4.84 119.36 128.04 3c9a n ILE 74 Ca -0.05 0.06 -0.25 0.00 1.00 0.00 0.00 62.75 63.51 3c9a n ILE 74 Cb 0.47 -2.27 -0.07 0.00 -0.71 0.00 0.00 39.64 37.06 3c9a n ILE 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3c9a n ALA 75 N -4.25 2.93 0.00 -1.39 0.00 -1.26 -4.94 120.51 111.60 3c9a n ALA 75 Ca -0.20 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.41 3c9a n ALA 75 Cb 0.54 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 1.18 0.00 -4.75 0.00 8.00 -1.26 -4.95 116.55 114.76 3c9a n ASP 76 Ca 0.24 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.39 3c9a n ASP 76 Cb 0.50 -0.32 -0.08 0.00 -0.02 0.00 0.00 41.12 41.20 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 0.00 3.83 0.37 0.64 1.43 -1.26 -5.10 118.68 118.60 3c9a s LEU 77 Ca 0.00 0.20 -0.26 0.00 -1.03 0.00 0.00 54.13 53.04 3c9a s LEU 77 Cb 0.00 -2.03 -0.09 0.00 0.03 0.00 0.00 46.19 44.11 3c9a s LEU 77 CO 0.00 0.34 1.12 -2.16 0.23 0.00 0.00 176.35 175.88 3c9a s PRO 78 N -1.23 4.22 -0.24 1.29 0.04 -1.26 -3.37 135.00 134.45 3c9a s PRO 78 Ca 0.17 1.73 -0.06 0.00 0.04 0.00 0.00 61.00 62.88 3c9a s PRO 78 Cb -0.12 -2.75 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 3c9a s PRO 78 CO 0.07 -0.14 0.02 0.08 0.04 0.00 0.00 177.00 177.07 3c9a s VAL 79 N -1.44 3.86 0.30 -0.36 1.01 0.13 -4.94 120.40 118.97 3c9a s VAL 79 Ca 0.54 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 3c9a s VAL 79 Cb -0.28 -2.82 -0.09 0.00 0.00 0.00 0.00 36.38 33.19 3c9a s VAL 79 CO 0.36 0.33 0.75 -0.31 0.00 0.00 0.00 175.10 176.23 3c9a s TYR 80 N 1.54 3.45 0.12 5.22 2.02 -1.26 -0.79 117.35 127.65 3c9a s TYR 80 Ca 0.06 1.29 -0.14 0.00 -0.37 0.00 0.00 57.07 57.91 3c9a s TYR 80 Cb -0.15 -2.58 0.02 0.00 -0.40 0.00 0.00 41.96 38.85 3c9a s TYR 80 CO 0.01 0.15 0.35 0.45 -1.57 0.00 0.00 175.55 174.94 3c9a s SER 81 N -2.09 -0.13 -0.16 2.29 0.15 -0.16 -4.97 113.70 108.63 3c9a s SER 81 Ca 0.51 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.73 3c9a s SER 81 Cb -0.12 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.64 3c9a s SER 81 CO 0.18 -0.84 -0.18 0.00 1.20 0.00 0.00 173.24 173.60 3c9a s GLU 83 N 0.98 3.53 0.33 0.00 2.56 0.73 -4.86 118.70 121.96 3c9a s GLU 83 Ca -0.03 0.12 -0.28 0.00 0.00 0.00 0.00 54.97 54.79 3c9a s GLU 83 Cb -0.15 -3.92 -0.09 0.00 2.00 0.00 0.00 34.13 31.97 3c9a s GLU 83 CO -0.04 -1.17 1.17 0.00 -0.56 0.00 0.00 175.26 174.66 3c9a s ALA 85 N -1.23 1.96 0.21 0.00 0.00 -1.26 -4.90 121.76 116.53 3c9a s ALA 85 Ca 0.49 0.51 -0.32 0.00 0.00 0.00 0.00 51.96 52.63 3c9a s ALA 85 Cb -0.33 -3.37 -0.13 0.00 0.00 0.00 0.00 23.12 19.28 3c9a s ALA 85 CO 0.43 -2.11 1.54 -0.89 0.00 0.00 0.00 175.76 174.73 3c9a n ILE 86 N -3.57 0.44 0.00 0.00 5.41 -1.26 -2.73 119.36 117.64 3c9a n ILE 86 Ca 0.11 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3c9a n ILE 86 Cb 0.52 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.85 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 2.90 0.55 3.46 7.39 0.00 -1.26 -5.08 105.19 113.15 3c9a n GLY 87 Ca 0.14 0.00 -0.23 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 -2.00 2.11 0.24 1.61 0.08 -1.11 -1.01 117.98 117.91 3c9a s PHE 88 Ca 0.00 -0.58 -0.19 0.00 0.12 0.00 0.00 56.93 56.28 3c9a s PHE 88 Cb 0.00 -1.15 0.02 0.00 -0.57 0.00 0.00 43.02 41.32 3c9a s PHE 88 CO 0.00 0.44 0.62 0.00 -0.10 0.00 0.00 175.22 176.18 3c9a s MET 89 N -3.65 1.60 0.00 0.44 0.23 0.47 -4.78 119.30 113.60 3c9a s MET 89 Ca 0.30 -0.96 0.00 0.00 -1.03 0.00 0.00 55.69 54.00 3c9a s MET 89 Cb 0.02 0.56 0.00 0.00 -1.53 0.00 0.00 34.83 33.88 3c9a s MET 89 CO 0.13 -0.71 0.00 0.41 -2.03 0.00 0.00 175.02 172.82 3c9a n GLY 90 N -0.41 1.49 0.26 3.16 0.00 -1.26 -1.77 105.19 106.66 3c9a n GLY 90 Ca -0.06 -2.02 0.03 0.00 0.00 0.00 0.00 46.02 43.97 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 0.38 -0.20 1.61 4.15 -2.00 -1.42 115.11 117.63 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 0.25 0.00 0.54 -1.93 0.00 0.00 178.83 177.69 3c9a n ARG 92 N -5.03 2.57 -2.51 1.69 1.74 -1.26 -4.26 116.66 109.60 3c9a n ARG 92 Ca 0.12 -2.55 -0.16 0.00 -0.77 0.00 0.00 57.85 54.49 3c9a n ARG 92 Cb 0.37 -1.61 0.01 0.00 -1.02 0.00 0.00 32.46 30.21 3c9a n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3c9a h GLU 94 N -0.40 0.00 -5.92 0.00 9.09 -1.78 -3.41 114.58 112.17 3c9a h GLU 94 Ca -0.39 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 58.40 3c9a h GLU 94 Cb 1.28 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.33 3c9a h GLU 94 CO 0.45 0.63 -0.36 0.71 0.05 0.00 0.00 179.01 180.49 3c9a s TYR 95 N -3.10 3.59 0.23 2.06 2.02 -0.73 -4.95 117.35 116.48 3c9a s TYR 95 Ca 0.02 0.63 -0.27 0.00 -0.37 0.00 0.00 57.07 57.08 3c9a s TYR 95 Cb 0.10 -2.03 -0.09 0.00 -0.40 0.00 0.00 41.96 39.54 3c9a s TYR 95 CO 0.76 0.61 0.87 0.15 -1.57 0.00 0.00 175.55 176.37 3c9a s LYS 96 N -1.67 4.68 0.00 -0.62 1.02 -1.26 -0.40 119.74 121.49 3c9a s LYS 96 Ca 0.27 1.31 0.27 0.00 0.02 0.00 0.00 55.97 57.84 3c9a s LYS 96 Cb -0.13 -3.18 1.59 0.00 -0.52 0.00 0.00 37.83 35.59 3c9a s LYS 96 CO 0.15 0.50 1.94 0.39 -0.92 0.00 0.00 175.35 177.41