#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g74 s ASP 3 N 0.00 5.16 -0.23 -3.46 1.01 -0.59 -4.98 116.67 113.58 3g74 s ASP 3 Ca 0.00 -0.03 -0.04 0.00 0.71 0.00 0.00 52.55 53.19 3g74 s ASP 3 Cb 0.00 -1.34 -0.01 0.00 1.01 0.00 0.00 42.92 42.58 3g74 s ASP 3 CO 0.00 0.26 -0.03 0.42 0.21 0.00 0.00 175.17 176.03 3g74 s THR 4 N -1.14 3.46 -0.16 -1.27 -4.23 -1.26 0.52 115.64 111.56 3g74 s THR 4 Ca 0.21 -0.51 -0.13 0.00 -1.18 0.00 0.00 61.69 60.07 3g74 s THR 4 Cb -0.12 -2.61 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 3g74 s THR 4 CO 0.12 0.38 0.28 -0.22 -0.54 0.00 0.00 174.62 174.64 3g74 s LEU 5 N 1.48 4.24 -0.22 4.79 2.96 0.15 -4.52 118.68 127.57 3g74 s LEU 5 Ca 0.05 0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 54.39 3g74 s LEU 5 Cb -0.15 -2.34 -0.02 0.00 0.50 0.00 0.00 46.19 44.18 3g74 s LEU 5 CO -0.02 0.11 0.01 -0.31 -1.32 0.00 0.00 176.35 174.82 3g74 s TYR 6 N 0.42 3.04 -0.18 5.38 2.02 0.14 -0.26 117.35 127.91 3g74 s TYR 6 Ca 0.16 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 3g74 s TYR 6 Cb -0.13 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.32 3g74 s TYR 6 CO 0.03 -0.31 -0.18 0.42 -1.57 0.00 0.00 175.55 173.94 3g74 s ILE 7 N 1.23 2.26 0.24 2.71 1.01 -0.70 -1.49 121.20 126.47 3g74 s ILE 7 Ca 0.04 -0.87 0.09 0.00 0.00 0.00 0.00 60.65 59.90 3g74 s ILE 7 Cb -0.15 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 3g74 s ILE 7 CO 0.01 0.52 -0.02 -0.75 0.00 0.00 0.00 174.94 174.71 3g74 s LYS 8 N 1.26 2.26 0.27 2.79 2.20 0.57 0.21 119.74 129.30 3g74 s LYS 8 Ca 0.04 -1.37 0.09 0.00 -0.36 0.00 0.00 55.97 54.37 3g74 s LYS 8 Cb -0.13 -2.17 -0.05 0.00 -1.51 0.00 0.00 37.83 33.96 3g74 s LYS 8 CO -0.10 0.38 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.62 3g74 s ASP 10 N -3.46 3.20 -0.02 1.43 1.01 0.34 -0.32 116.67 118.85 3g74 s ASP 10 Ca 0.30 -1.09 0.00 0.00 0.71 0.00 0.00 52.55 52.47 3g74 s ASP 10 Cb -0.07 -0.24 -0.26 0.00 1.01 0.00 0.00 42.92 43.36 3g74 s ASP 10 CO 0.19 -0.14 0.76 -0.61 0.21 0.00 0.00 175.17 175.59 3g74 h GLN 11 N 2.29 0.18 -2.35 8.23 4.15 -1.89 -3.38 115.11 122.35 3g74 h GLN 11 Ca -0.40 -0.31 -0.08 0.00 0.77 0.00 0.00 58.65 58.63 3g74 h GLN 11 Cb 1.24 0.12 -0.22 0.00 0.21 0.00 0.00 27.48 28.83 3g74 h GLN 11 CO 0.64 0.99 -0.04 0.00 -1.93 0.00 0.00 178.83 178.49 3g74 s ALA 12 N -2.61 -1.42 -0.08 3.38 0.00 -1.26 -0.87 121.76 118.89 3g74 s ALA 12 Ca -0.10 1.58 -0.06 0.00 0.00 0.00 0.00 51.96 53.39 3g74 s ALA 12 Cb 0.07 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.34 3g74 s ALA 12 CO 0.83 -0.28 0.21 0.08 0.00 0.00 0.00 175.76 176.61 3g74 s VAL 13 N 0.21 -0.02 -0.18 0.00 1.01 0.39 -4.93 120.40 116.89 3g74 s VAL 13 Ca -0.01 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.88 3g74 s VAL 13 Cb -0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 3g74 s VAL 13 CO 0.01 0.03 0.42 -1.61 0.00 0.00 0.00 175.10 173.95 3g74 s GLU 14 N 0.63 4.22 -0.03 2.72 2.02 -1.26 -1.42 118.70 125.58 3g74 s GLU 14 Ca -0.04 0.27 0.07 0.00 0.02 0.00 0.00 54.97 55.29 3g74 s GLU 14 Cb -0.06 -3.51 -0.02 0.00 0.10 0.00 0.00 34.13 30.65 3g74 s GLU 14 CO -0.03 0.02 -0.25 0.42 0.02 0.00 0.00 175.26 175.44 3g74 s ILE 15 N 1.11 1.99 -0.36 -1.63 -1.09 0.14 -4.95 121.20 116.41 3g74 s ILE 15 Ca 0.21 -1.07 0.10 0.00 -2.23 0.00 0.00 60.65 57.66 3g74 s ILE 15 Cb -0.15 -1.66 -0.12 0.00 -1.58 0.00 0.00 42.46 38.95 3g74 s ILE 15 CO 0.08 0.56 0.38 1.07 -1.23 0.00 0.00 174.94 175.80 3g74 n THR 16 N 2.58 0.00 -3.03 2.92 5.66 -1.26 0.23 114.28 121.37 3g74 n THR 16 Ca -0.16 -0.26 -0.18 0.00 -3.05 0.00 0.00 64.05 60.40 3g74 n THR 16 Cb 0.51 0.83 0.02 0.00 -1.55 0.00 0.00 70.33 70.15 3g74 n THR 16 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3g74 s LYS 17 N -2.12 2.67 0.17 1.09 1.02 -1.26 -2.76 119.74 118.55 3g74 s LYS 17 Ca 0.02 -1.37 0.08 0.00 0.02 0.00 0.00 55.97 54.73 3g74 s LYS 17 Cb 0.07 -2.72 -0.02 0.00 -0.52 0.00 0.00 37.83 34.65 3g74 s LYS 17 CO 0.41 -0.44 1.39 0.87 -0.92 0.00 0.00 175.35 176.66 3g74 h LYS 18 N 0.51 0.00 -5.20 1.68 6.56 -1.95 -3.46 116.57 114.71 3g74 h LYS 18 Ca -0.37 -0.00 -0.41 0.00 -1.06 0.00 0.00 60.65 58.81 3g74 h LYS 18 Cb 1.28 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.80 3g74 h LYS 18 CO 0.44 0.87 -0.66 1.14 -2.06 0.00 0.00 179.45 179.18 3g74 s GLN 19 N -3.02 1.40 -0.11 3.15 0.00 -1.26 -2.36 119.66 117.46 3g74 s GLN 19 Ca 0.00 -1.71 0.03 0.00 -0.00 0.00 0.00 55.36 53.68 3g74 s GLN 19 Cb 0.11 -0.77 0.01 0.00 0.00 0.00 0.00 33.01 32.36 3g74 s GLN 19 CO 0.80 -0.06 -0.20 0.08 0.00 0.00 0.00 175.29 175.91 3g74 s VAL 20 N -3.31 1.81 0.49 3.63 1.01 -0.53 -5.01 120.40 118.49 3g74 s VAL 20 Ca 0.29 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 3g74 s VAL 20 Cb 0.05 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 3g74 s VAL 20 CO 0.10 0.50 0.75 0.42 0.00 0.00 0.00 175.10 176.87 3g74 s THR 21 N 0.72 4.26 0.29 3.92 -4.23 -1.26 -0.85 115.64 118.49 3g74 s THR 21 Ca -0.11 -0.18 0.04 0.00 -1.18 0.00 0.00 61.69 60.26 3g74 s THR 21 Cb -0.16 -3.61 0.29 0.00 1.34 0.00 0.00 72.50 70.35 3g74 s THR 21 CO 0.02 -0.53 1.70 0.58 -0.54 0.00 0.00 174.62 175.85 3g74 h VAL 22 N 0.23 0.48 -0.70 2.29 2.07 -1.79 -0.79 116.25 118.05 3g74 h VAL 22 Ca -0.47 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3g74 h VAL 22 Cb 1.24 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3g74 h VAL 22 CO 0.60 0.07 0.45 1.23 0.02 0.00 0.00 177.57 179.94 3g74 h GLY 23 N 0.40 0.99 2.00 2.17 0.00 -1.46 0.68 103.07 107.85 3g74 h GLY 23 Ca 0.56 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 3g74 h GLY 23 CO -0.53 0.37 -0.00 -0.55 0.00 0.00 0.00 176.54 175.83 3g74 h ASP 24 N 0.95 0.00 0.00 0.19 3.32 -1.39 -3.30 116.42 116.19 3g74 h ASP 24 Ca 0.25 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 3g74 h ASP 24 Cb -0.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3g74 h ASP 24 CO -0.05 0.00 -1.76 0.52 -1.72 0.00 0.00 179.24 176.23 3g74 n VAL 25 N -4.03 0.16 -3.61 -1.35 0.31 0.08 -5.01 118.33 104.88 3g74 n VAL 25 Ca -0.03 -0.40 -0.14 0.00 -0.01 0.00 0.00 64.34 63.77 3g74 n VAL 25 Cb 0.09 0.02 -0.06 0.00 -0.91 0.00 0.00 33.84 32.98 3g74 n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g74 s ALA 26 N -2.97 -1.21 0.16 3.52 0.00 -0.32 -0.51 121.76 120.44 3g74 s ALA 26 Ca -0.06 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.43 3g74 s ALA 26 Cb 0.09 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 3g74 s ALA 26 CO 0.64 -0.48 0.28 0.21 0.00 0.00 0.00 175.76 176.42 3g74 s LYS 27 N -2.38 3.40 0.00 0.00 2.36 0.56 -4.42 119.74 119.27 3g74 s LYS 27 Ca -0.06 -0.63 -0.01 0.00 -2.55 0.00 0.00 55.97 52.72 3g74 s LYS 27 Cb -0.01 -2.94 -0.01 0.00 -1.05 0.00 0.00 37.83 33.83 3g74 s LYS 27 CO -0.01 0.51 0.01 -0.51 1.55 0.00 0.00 175.35 176.90 3g74 s LEU 28 N -3.30 2.01 -0.01 5.43 1.43 -1.26 -0.31 118.68 122.66 3g74 s LEU 28 Ca 0.34 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 53.22 3g74 s LEU 28 Cb -0.11 0.14 0.00 0.00 0.03 0.00 0.00 46.19 46.25 3g74 s LEU 28 CO 0.28 -0.15 0.09 -1.10 0.23 0.00 0.00 176.35 175.70 3g74 s GLN 29 N -0.68 0.28 -0.27 1.70 -1.52 -0.55 -4.99 119.66 113.63 3g74 s GLN 29 Ca -0.07 -0.19 -0.26 0.00 -1.95 0.00 0.00 55.36 52.89 3g74 s GLN 29 Cb -0.05 0.12 0.14 0.00 -0.22 0.00 0.00 33.01 33.00 3g74 s GLN 29 CO -0.00 -0.06 1.10 0.00 -0.25 0.00 0.00 175.29 176.08 3g74 h LYS 31 N 3.79 0.36 -4.49 0.00 3.64 -2.01 -3.33 116.57 114.53 3g74 h LYS 31 Ca -0.26 -0.06 -0.72 0.00 -1.27 0.00 0.00 60.65 58.33 3g74 h LYS 31 Cb 1.18 -0.06 -0.21 0.00 -0.41 0.00 0.00 32.23 32.73 3g74 h LYS 31 CO 0.15 0.39 0.01 1.21 -2.27 0.00 0.00 179.45 178.93 3g74 s ASN 32 N -6.82 6.19 0.51 4.20 2.47 -1.26 -4.94 114.94 115.29 3g74 s ASN 32 Ca -0.07 -1.56 0.22 0.00 0.42 0.00 0.00 52.86 51.87 3g74 s ASN 32 Cb 0.16 -2.27 1.34 0.00 -1.45 0.00 0.00 41.25 39.03 3g74 s ASN 32 CO 0.74 -1.03 2.09 0.11 -3.72 0.00 0.00 177.10 175.29 3g74 h LYS 33 N 9.08 0.00 -0.78 0.43 6.56 -2.02 -1.78 116.57 128.07 3g74 h LYS 33 Ca -0.29 0.00 0.16 0.00 -1.06 0.00 0.00 60.65 59.45 3g74 h LYS 33 Cb 1.09 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 32.65 3g74 h LYS 33 CO 1.08 0.10 0.30 -0.91 -2.06 0.00 0.00 179.45 177.96 3g74 h ASN 34 N 0.00 0.25 -0.13 0.86 2.35 -1.92 0.17 115.58 117.15 3g74 h ASN 34 Ca -0.00 0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3g74 h ASN 34 Cb 0.22 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3g74 h ASN 34 CO 0.01 0.07 0.04 0.40 -1.65 0.00 0.00 177.43 176.31 3g74 h ILE 35 N 0.41 0.97 0.03 2.81 1.08 -1.71 -1.05 117.51 120.05 3g74 h ILE 35 Ca 0.44 -0.04 -0.22 0.00 -0.39 0.00 0.00 64.86 64.65 3g74 h ILE 35 Cb 0.70 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 3g74 h ILE 35 CO -0.44 0.02 -1.01 0.71 -0.69 0.00 0.00 178.15 176.74 3g74 h THR 36 N 0.11 1.62 -0.27 -0.27 1.35 -1.56 -0.58 112.91 113.31 3g74 h THR 36 Ca 0.05 -3.15 0.01 0.00 -0.55 0.00 0.00 66.41 62.78 3g74 h THR 36 Cb 0.03 2.77 -0.02 0.00 -1.73 0.00 0.00 68.15 69.20 3g74 h THR 36 CO -0.06 0.91 0.15 0.78 -0.25 0.00 0.00 175.52 177.05 3g74 h ASN 37 N 0.03 0.25 -0.13 5.36 2.35 -0.57 -1.04 115.58 121.83 3g74 h ASN 37 Ca -0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3g74 h ASN 37 Cb 1.73 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 40.05 3g74 h ASN 37 CO 0.14 0.18 0.06 -0.09 -1.65 0.00 0.00 177.43 176.07 3g74 h ARG 38 N 0.32 0.19 -0.08 0.81 9.65 -1.16 -3.34 114.38 120.76 3g74 h ARG 38 Ca 0.11 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 58.89 3g74 h ARG 38 Cb 0.00 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 3g74 h ARG 38 CO -0.05 0.27 -0.20 1.25 2.80 0.00 0.00 179.97 184.03 3g74 h LEU 39 N 0.07 0.32 -2.20 3.80 5.85 -0.78 -3.18 115.31 119.19 3g74 h LEU 39 Ca 0.04 -0.58 0.06 0.00 0.84 0.00 0.00 57.88 58.24 3g74 h LEU 39 Cb 0.14 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3g74 h LEU 39 CO -0.00 0.84 0.22 0.07 -0.34 0.00 0.00 178.44 179.23 3g74 h LYS 40 N -0.19 0.00 -3.52 1.25 2.10 -1.34 -3.41 116.57 111.46 3g74 h LYS 40 Ca -0.00 0.00 -0.77 0.00 -2.00 0.00 0.00 60.65 57.88 3g74 h LYS 40 Cb 0.80 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 31.94 3g74 h LYS 40 CO 0.04 0.00 1.67 0.43 -2.00 0.00 0.00 179.45 179.59 3g74 n SER 41 N -3.81 5.38 -4.20 7.07 7.64 -1.20 -1.44 113.62 123.06 3g74 n SER 41 Ca 0.02 -3.15 -0.29 0.00 1.01 0.00 0.00 58.87 56.46 3g74 n SER 41 Cb 0.35 -1.44 -0.16 0.00 -1.01 0.00 0.00 64.21 61.94 3g74 n SER 41 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3g74 s LYS 43 N -0.16 2.15 -0.02 1.43 2.20 -1.26 -4.91 119.74 119.16 3g74 s LYS 43 Ca 0.38 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 3g74 s LYS 43 Cb 0.07 -1.85 -0.01 0.00 -1.51 0.00 0.00 37.83 34.53 3g74 s LYS 43 CO 0.02 0.32 -0.02 -0.11 -0.36 0.00 0.00 175.35 175.20 3g74 n LEU 44 N 3.03 2.86 -3.66 5.43 7.94 -0.03 -4.86 117.00 127.71 3g74 n LEU 44 Ca -0.18 -0.01 -0.12 0.00 -1.11 0.00 0.00 56.01 54.60 3g74 n LEU 44 Cb 0.52 -0.08 -0.06 0.00 0.53 0.00 0.00 43.42 44.34 3g74 n LEU 44 CO 0.25 0.51 0.15 -0.22 -1.11 0.00 0.00 177.39 176.97 3g74 s LEU 45 N -5.18 0.43 -0.03 -1.96 2.96 -0.94 -5.01 118.68 108.96 3g74 s LEU 45 Ca -0.03 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.69 3g74 s LEU 45 Cb 0.01 1.75 0.01 0.00 0.50 0.00 0.00 46.19 48.46 3g74 s LEU 45 CO 0.05 -0.73 0.13 -0.70 -1.32 0.00 0.00 176.35 173.78 3g74 s GLU 46 N -2.98 0.30 1.00 1.98 2.12 -1.26 -1.45 118.70 118.41 3g74 s GLU 46 Ca -0.02 -0.08 -0.17 0.00 0.36 0.00 0.00 54.97 55.07 3g74 s GLU 46 Cb 0.00 0.13 0.22 0.00 0.26 0.00 0.00 34.13 34.74 3g74 s GLU 46 CO -0.06 -0.06 1.30 0.34 -0.54 0.00 0.00 175.26 176.24 3g74 s ASP 47 N -0.57 2.73 -0.84 -1.70 2.15 -1.00 -5.03 116.67 112.41 3g74 s ASP 47 Ca -0.07 0.30 0.01 0.00 0.43 0.00 0.00 52.55 53.22 3g74 s ASP 47 Cb -0.04 -0.36 0.23 0.00 -0.30 0.00 0.00 42.92 42.45 3g74 s ASP 47 CO 0.01 -2.98 0.81 1.07 -0.17 0.00 0.00 175.17 173.90 3g74 n THR 48 N -3.94 2.91 0.00 1.71 5.66 -1.26 -5.06 114.28 114.30 3g74 n THR 48 Ca 0.15 -5.19 0.00 0.00 -3.05 0.00 0.00 64.05 55.96 3g74 n THR 48 Cb 0.59 -2.26 0.00 0.00 -1.55 0.00 0.00 70.33 67.12 3g74 n THR 48 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3g74 n THR 49 N 1.83 0.00 -0.33 1.09 -2.24 -1.26 -2.70 114.28 110.67 3g74 n THR 49 Ca 0.24 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.12 3g74 n THR 49 Cb 0.37 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.82 3g74 n THR 49 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3g74 h LYS 50 N 0.00 0.02 -5.96 -0.78 1.57 -2.04 -3.40 116.57 105.97 3g74 h LYS 50 Ca 0.00 -0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 3g74 h LYS 50 Cb 0.00 -0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.21 3g74 h LYS 50 CO 0.00 0.01 0.52 0.20 -0.57 0.00 0.00 179.45 179.61 3g74 s GLY 51 N -4.21 1.61 -0.27 3.86 0.00 -1.10 -5.02 107.32 102.20 3g74 s GLY 51 Ca -0.14 -0.49 -0.29 0.00 0.00 0.00 0.00 44.72 43.80 3g74 s GLY 51 CO 0.78 1.91 1.51 0.54 0.00 0.00 0.00 173.10 177.83 3g74 s LYS 52 N 3.30 3.79 0.31 2.90 1.02 -1.26 -4.58 119.74 125.22 3g74 s LYS 52 Ca 0.36 1.45 0.03 0.00 0.02 0.00 0.00 55.97 57.83 3g74 s LYS 52 Cb -0.13 -3.99 -0.04 0.00 -0.52 0.00 0.00 37.83 33.15 3g74 s LYS 52 CO 0.17 -1.29 0.14 0.21 -0.92 0.00 0.00 175.35 173.66 3g74 s LYS 53 N 4.58 1.62 -0.10 1.68 2.20 -1.25 -4.87 119.74 123.61 3g74 s LYS 53 Ca 0.66 -1.92 0.04 0.00 -0.36 0.00 0.00 55.97 54.38 3g74 s LYS 53 Cb -0.21 -0.27 -0.00 0.00 -1.51 0.00 0.00 37.83 35.83 3g74 s LYS 53 CO 0.28 -0.40 -0.22 1.03 -0.36 0.00 0.00 175.35 175.67 3g74 s ARG 54 N -3.84 3.02 0.19 4.03 0.52 -1.26 0.38 118.95 121.98 3g74 s ARG 54 Ca 0.34 -0.85 0.07 0.00 -0.52 0.00 0.00 55.73 54.78 3g74 s ARG 54 Cb 0.05 -2.34 -0.04 0.00 0.52 0.00 0.00 34.95 33.14 3g74 s ARG 54 CO 0.16 0.23 -0.15 0.71 0.02 0.00 0.00 175.30 176.27 3g74 s TYR 55 N 0.24 1.67 -0.11 -0.53 2.02 0.12 -4.98 117.35 115.78 3g74 s TYR 55 Ca -0.15 -0.56 0.02 0.00 -0.37 0.00 0.00 57.07 56.01 3g74 s TYR 55 Cb -0.17 -0.80 0.01 0.00 -0.40 0.00 0.00 41.96 40.61 3g74 s TYR 55 CO 0.07 0.32 -0.16 -1.50 -1.57 0.00 0.00 175.55 172.71 3g74 s ILE 56 N -2.75 1.54 -0.13 2.71 1.10 -1.26 -0.19 121.20 122.22 3g74 s ILE 56 Ca 0.20 -0.67 0.00 0.00 -0.51 0.00 0.00 60.65 59.67 3g74 s ILE 56 Cb -0.02 -1.40 -0.01 0.00 0.15 0.00 0.00 42.46 41.18 3g74 s ILE 56 CO 0.06 0.45 -0.14 -0.69 -2.11 0.00 0.00 174.94 172.51 3g74 s VAL 57 N 0.95 2.99 0.14 4.00 1.01 -0.45 -4.96 120.40 124.07 3g74 s VAL 57 Ca -0.07 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 3g74 s VAL 57 Cb -0.15 -2.25 -0.07 0.00 0.00 0.00 0.00 36.38 33.91 3g74 s VAL 57 CO -0.01 0.53 0.53 -0.55 0.00 0.00 0.00 175.10 175.60 3g74 s SER 58 N 0.31 6.80 0.00 3.32 0.15 -1.26 -0.81 113.70 122.21 3g74 s SER 58 Ca -0.11 1.04 0.00 0.00 0.70 0.00 0.00 55.95 57.58 3g74 s SER 58 Cb -0.16 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 3g74 s SER 58 CO 0.06 0.11 0.09 0.00 1.20 0.00 0.00 173.24 174.70 3g74 n ILE 59 N 0.82 0.00 0.00 6.45 0.13 -0.49 -3.66 119.36 122.61 3g74 n ILE 59 Ca -0.06 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.59 3g74 n ILE 59 Cb 0.52 -0.70 0.00 0.00 -0.84 0.00 0.00 39.64 38.62 3g74 n ILE 59 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 3g74 n LYS 61 N 1.84 0.00 -0.06 9.51 4.81 -1.26 -1.61 118.16 131.40 3g74 n LYS 61 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 3g74 n LYS 61 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3g74 n LYS 61 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3g74 h ILE 62 N 0.00 1.29 0.01 3.15 2.04 -1.99 -3.27 117.51 118.73 3g74 h ILE 62 Ca 0.00 -1.69 -0.00 0.00 1.00 0.00 0.00 64.86 64.17 3g74 h ILE 62 Cb 0.00 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3g74 h ILE 62 CO 0.00 0.55 -0.00 0.40 0.00 0.00 0.00 178.15 179.09 3g74 h ILE 63 N 0.61 1.12 0.00 -0.67 2.04 -1.63 -0.43 117.51 118.55 3g74 h ILE 63 Ca 0.03 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3g74 h ILE 63 Cb 1.08 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 3g74 h ILE 63 CO 0.11 0.10 0.00 1.21 0.00 0.00 0.00 178.15 179.57 3g74 n GLU 64 N -5.02 0.00 0.00 2.37 2.13 -1.23 -0.73 120.64 118.16 3g74 n GLU 64 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 3g74 n GLU 64 Cb 0.11 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 30.40 3g74 n GLU 64 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3g74 n ALA 66 N 0.93 0.00 -0.21 4.31 0.00 -0.17 -1.85 120.51 123.52 3g74 n ALA 66 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3g74 n ALA 66 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 3g74 n ALA 66 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3g74 h ASP 67 N 0.00 0.59 0.65 0.00 3.32 -1.19 -1.21 116.42 118.58 3g74 h ASP 67 Ca 0.00 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 3g74 h ASP 67 Cb 0.00 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3g74 h ASP 67 CO 0.00 0.41 -0.48 -0.61 -1.72 0.00 0.00 179.24 176.84 3g74 h GLN 68 N 0.72 0.00 0.04 3.56 4.15 -1.61 -3.35 115.11 118.61 3g74 h GLN 68 Ca 0.26 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 59.31 3g74 h GLN 68 Cb 0.06 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.70 3g74 h GLN 68 CO -0.12 0.48 -2.24 0.25 -1.93 0.00 0.00 178.83 175.27 3g74 n THR 69 N -3.75 1.57 -4.16 2.39 -2.24 -0.88 -4.99 114.28 102.23 3g74 n THR 69 Ca -0.01 -0.67 -0.25 0.00 -2.27 0.00 0.00 64.05 60.85 3g74 n THR 69 Cb 0.53 -1.29 -0.06 0.00 -2.10 0.00 0.00 70.33 67.41 3g74 n THR 69 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3g74 s PHE 70 N -2.53 2.98 -0.06 4.78 0.08 -0.51 -5.11 117.98 117.61 3g74 s PHE 70 Ca -0.23 -0.10 -0.13 0.00 0.12 0.00 0.00 56.93 56.58 3g74 s PHE 70 Cb 0.08 -1.40 -0.05 0.00 -0.57 0.00 0.00 43.02 41.07 3g74 s PHE 70 CO 0.71 0.53 0.34 1.14 -0.10 0.00 0.00 175.22 177.85 3g74 s GLN 71 N -3.30 3.91 -1.12 0.44 -2.07 -1.26 -4.67 119.66 111.59 3g74 s GLN 71 Ca 0.30 0.26 -0.10 0.00 -1.82 0.00 0.00 55.36 54.00 3g74 s GLN 71 Cb -0.09 -3.27 -0.04 0.00 -1.09 0.00 0.00 33.01 28.53 3g74 s GLN 71 CO 0.22 0.59 0.85 0.09 -1.32 0.00 0.00 175.29 175.72 3g74 n ASN 72 N 2.28 -5.26 -4.14 12.60 5.03 -1.26 -4.90 115.26 119.62 3g74 n ASN 72 Ca -0.14 -0.83 -0.33 0.00 0.87 0.00 0.00 54.58 54.15 3g74 n ASN 72 Cb 0.53 -4.41 -0.16 0.00 -1.02 0.00 0.00 39.78 34.71 3g74 n ASN 72 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3g74 s VAL 73 N -3.45 2.12 -0.15 2.41 1.01 -1.26 -1.54 120.40 119.54 3g74 s VAL 73 Ca 0.38 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 3g74 s VAL 73 Cb -0.09 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3g74 s VAL 73 CO 0.79 0.54 0.34 -1.81 0.00 0.00 0.00 175.10 174.96 3g74 s ASP 74 N 1.24 6.50 -0.05 3.32 1.11 0.18 -4.93 116.67 124.05 3g74 s ASP 74 Ca 0.04 0.59 -0.17 0.00 0.18 0.00 0.00 52.55 53.18 3g74 s ASP 74 Cb -0.13 -2.21 -0.05 0.00 1.07 0.00 0.00 42.92 41.60 3g74 s ASP 74 CO -0.11 0.07 0.47 -0.63 1.18 0.00 0.00 175.17 176.14 3g74 s ILE 75 N 0.52 5.06 -0.26 0.77 1.09 -1.26 0.32 121.20 127.44 3g74 s ILE 75 Ca 0.19 0.95 0.02 0.00 -1.10 0.00 0.00 60.65 60.71 3g74 s ILE 75 Cb -0.13 -3.79 0.05 0.00 -1.06 0.00 0.00 42.46 37.53 3g74 s ILE 75 CO 0.05 0.45 -0.09 -1.58 -0.10 0.00 0.00 174.94 173.67 3g74 s GLN 76 N -0.25 2.38 -0.27 2.79 2.00 0.64 -4.93 119.66 122.01 3g74 s GLN 76 Ca 0.26 -1.27 -0.23 0.00 -2.00 0.00 0.00 55.36 52.12 3g74 s GLN 76 Cb -0.16 -2.93 -0.01 0.00 0.80 0.00 0.00 33.01 30.71 3g74 s GLN 76 CO 0.13 -0.54 0.76 1.21 -0.50 0.00 0.00 175.29 176.35 3g74 s ASN 77 N 1.16 6.70 -0.15 6.67 3.04 -1.26 -1.72 114.94 129.38 3g74 s ASN 77 Ca -0.07 0.79 0.06 0.00 0.04 0.00 0.00 52.86 53.69 3g74 s ASN 77 Cb -0.19 -2.40 -0.13 0.00 -1.54 0.00 0.00 41.25 36.99 3g74 s ASN 77 CO -0.05 -0.52 -0.05 -0.38 -3.04 0.00 0.00 177.10 173.05 3g74 n ILE 78 N 5.36 0.91 -0.71 -5.21 2.08 0.13 -4.96 119.36 116.98 3g74 n ILE 78 Ca 0.03 -0.45 0.00 0.00 0.56 0.00 0.00 62.75 62.89 3g74 n ILE 78 Cb 0.48 -0.88 0.00 0.00 -0.75 0.00 0.00 39.64 38.49 3g74 n ILE 78 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3g74 n GLY 79 N 2.47 1.87 3.84 7.39 0.00 -1.04 -4.93 105.19 114.78 3g74 n GLY 79 Ca -0.25 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 43.63 3g74 n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g74 s GLU 80 N 4.08 0.97 -0.00 1.61 0.41 -1.26 -5.00 118.70 119.51 3g74 s GLU 80 Ca 0.00 0.01 0.04 0.00 -0.41 0.00 0.00 54.97 54.61 3g74 s GLU 80 Cb 0.00 -1.84 -0.04 0.00 -1.78 0.00 0.00 34.13 30.46 3g74 s GLU 80 CO 0.00 -2.26 0.15 0.25 -0.49 0.00 0.00 175.26 172.91 3g74 n THR 81 N -3.75 0.00 -4.23 3.63 -2.24 -1.26 -4.79 114.28 101.63 3g74 n THR 81 Ca 0.10 -0.38 -0.17 0.00 -2.27 0.00 0.00 64.05 61.33 3g74 n THR 81 Cb 0.60 0.95 -0.13 0.00 -2.10 0.00 0.00 70.33 69.64 3g74 n THR 81 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3g74 s GLU 82 N -1.44 0.65 -0.11 -0.78 0.41 -1.26 -1.39 118.70 114.77 3g74 s GLU 82 Ca 0.01 -0.50 -0.01 0.00 -0.41 0.00 0.00 54.97 54.07 3g74 s GLU 82 Cb 0.03 -0.58 0.03 0.00 -1.78 0.00 0.00 34.13 31.83 3g74 s GLU 82 CO 0.15 0.15 -0.03 0.00 -0.49 0.00 0.00 175.26 175.04 3g74 s VAL 84 N 1.83 4.79 -0.23 0.00 1.01 -0.05 -1.35 120.40 126.41 3g74 s VAL 84 Ca 0.04 1.74 -0.07 0.00 0.00 0.00 0.00 61.98 63.69 3g74 s VAL 84 Cb -0.13 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3g74 s VAL 84 CO -0.07 -0.08 0.07 -0.69 0.00 0.00 0.00 175.10 174.33 3g74 s VAL 85 N 2.79 4.51 -0.24 2.92 1.01 0.73 -0.46 120.40 131.67 3g74 s VAL 85 Ca 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 3g74 s VAL 85 Cb -0.16 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.17 3g74 s VAL 85 CO 0.08 0.37 -0.09 -0.70 0.00 0.00 0.00 175.10 174.76 3g74 s GLU 86 N 1.22 2.80 0.20 2.72 2.12 -0.51 0.11 118.70 127.36 3g74 s GLU 86 Ca 0.05 -0.99 -0.20 0.00 0.36 0.00 0.00 54.97 54.20 3g74 s GLU 86 Cb -0.14 -2.90 -0.08 0.00 0.26 0.00 0.00 34.13 31.27 3g74 s GLU 86 CO 0.04 -0.38 0.70 -0.06 -0.54 0.00 0.00 175.26 175.01 3g74 s PHE 87 N 1.30 3.68 0.00 5.30 0.08 0.16 0.29 117.98 128.78 3g74 s PHE 87 Ca 0.00 1.36 0.00 0.00 0.12 0.00 0.00 56.93 58.42 3g74 s PHE 87 Cb -0.16 -2.59 0.00 0.00 -0.57 0.00 0.00 43.02 39.69 3g74 s PHE 87 CO -0.06 0.38 0.00 0.36 -0.10 0.00 0.00 175.22 175.80 3g74 n LYS 88 N 0.89 0.00 -4.41 0.44 2.85 0.13 -3.76 118.16 114.31 3g74 n LYS 88 Ca -0.04 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.89 3g74 n LYS 88 Cb 0.51 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.74 3g74 n LYS 88 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 3g74 s THR 89 N -0.96 3.04 0.00 0.58 -1.32 -1.26 -4.55 115.64 111.16 3g74 s THR 89 Ca 0.00 -0.64 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 3g74 s THR 89 Cb 0.00 -2.31 0.00 0.00 -1.51 0.00 0.00 72.50 68.68 3g74 s THR 89 CO 0.00 0.49 0.00 -2.65 -2.21 0.00 0.00 174.62 170.25