#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g74 s SER 2 N 0.00 -0.48 0.20 0.00 1.04 -1.26 -5.28 113.70 107.92 3g74 s SER 2 Ca 0.00 0.90 -0.27 0.00 0.48 0.00 0.00 55.95 57.05 3g74 s SER 2 Cb 0.00 0.88 -0.08 0.00 0.10 0.00 0.00 66.02 66.92 3g74 s SER 2 CO 0.00 -0.16 0.85 -1.81 0.98 0.00 0.00 173.24 173.10 3g74 s ASP 3 N 0.49 7.50 -0.25 7.02 1.01 0.88 -4.96 116.67 128.36 3g74 s ASP 3 Ca -0.02 1.78 -0.10 0.00 0.71 0.00 0.00 52.55 54.92 3g74 s ASP 3 Cb -0.04 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 3g74 s ASP 3 CO -0.02 0.18 0.14 -0.89 0.21 0.00 0.00 175.17 174.78 3g74 s THR 4 N -1.12 5.00 -0.21 -1.27 2.01 -1.26 -1.81 115.64 116.97 3g74 s THR 4 Ca 0.38 0.06 -0.09 0.00 0.31 0.00 0.00 61.69 62.36 3g74 s THR 4 Cb -0.24 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 3g74 s THR 4 CO 0.29 0.32 0.10 -0.22 -0.69 0.00 0.00 174.62 174.41 3g74 s LEU 5 N 1.42 3.87 -0.23 4.42 2.96 -0.34 -4.34 118.68 126.43 3g74 s LEU 5 Ca 0.06 0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 53.94 3g74 s LEU 5 Cb -0.15 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 3g74 s LEU 5 CO 0.07 0.10 0.08 -0.31 -1.32 0.00 0.00 176.35 174.97 3g74 s TYR 6 N 0.81 3.14 -0.12 5.38 2.02 0.29 -0.54 117.35 128.33 3g74 s TYR 6 Ca 0.05 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.57 3g74 s TYR 6 Cb -0.13 -2.21 -0.00 0.00 -0.40 0.00 0.00 41.96 39.21 3g74 s TYR 6 CO 0.02 -0.19 -0.20 0.42 -1.57 0.00 0.00 175.55 174.04 3g74 s ILE 7 N 1.29 2.37 0.38 2.71 1.01 -0.78 -1.48 121.20 126.70 3g74 s ILE 7 Ca 0.05 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.85 3g74 s ILE 7 Cb -0.15 -1.95 -0.06 0.00 0.01 0.00 0.00 42.46 40.31 3g74 s ILE 7 CO 0.04 0.54 0.05 -0.75 0.00 0.00 0.00 174.94 174.82 3g74 s LYS 8 N 0.52 1.83 0.31 2.79 2.20 -0.90 0.95 119.74 127.45 3g74 s LYS 8 Ca -0.13 -2.05 0.09 0.00 -0.36 0.00 0.00 55.97 53.52 3g74 s LYS 8 Cb -0.17 -1.14 -0.06 0.00 -1.51 0.00 0.00 37.83 34.95 3g74 s LYS 8 CO 0.05 -0.20 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.23 3g74 s ASP 10 N -3.61 3.36 -0.06 1.43 1.01 -0.81 -1.80 116.67 116.18 3g74 s ASP 10 Ca 0.31 -1.16 -0.18 0.00 0.71 0.00 0.00 52.55 52.23 3g74 s ASP 10 Cb 0.08 -0.28 -0.30 0.00 1.01 0.00 0.00 42.92 43.43 3g74 s ASP 10 CO 0.15 -0.21 0.74 -0.61 0.21 0.00 0.00 175.17 175.45 3g74 h GLN 11 N 2.16 0.31 -3.76 8.23 4.15 -1.90 -3.40 115.11 120.89 3g74 h GLN 11 Ca -0.41 -0.53 -0.13 0.00 0.77 0.00 0.00 58.65 58.35 3g74 h GLN 11 Cb 1.25 0.20 -0.18 0.00 0.21 0.00 0.00 27.48 28.95 3g74 h GLN 11 CO 0.68 1.25 -0.53 0.00 -1.93 0.00 0.00 178.83 178.30 3g74 s ALA 12 N -2.48 -0.10 -0.09 3.38 0.00 -1.26 -1.27 121.76 119.94 3g74 s ALA 12 Ca -0.16 -0.48 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 3g74 s ALA 12 Cb 0.03 0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.41 3g74 s ALA 12 CO 0.82 -0.29 0.22 0.08 0.00 0.00 0.00 175.76 176.59 3g74 s VAL 13 N -2.33 -0.03 -0.20 0.00 1.01 0.94 -4.91 120.40 114.88 3g74 s VAL 13 Ca -0.07 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 3g74 s VAL 13 Cb -0.03 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 3g74 s VAL 13 CO -0.03 0.04 0.13 -0.70 0.00 0.00 0.00 175.10 174.54 3g74 s GLU 14 N 0.81 4.18 -0.04 2.72 2.12 -1.26 -0.46 118.70 126.77 3g74 s GLU 14 Ca -0.06 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.07 3g74 s GLU 14 Cb -0.07 -3.43 0.02 0.00 0.26 0.00 0.00 34.13 30.91 3g74 s GLU 14 CO -0.05 0.28 -0.07 0.42 -0.54 0.00 0.00 175.26 175.30 3g74 s ILE 15 N 0.40 0.73 -0.07 -3.70 -1.09 -0.54 -4.97 121.20 111.96 3g74 s ILE 15 Ca 0.08 -0.26 0.21 0.00 -2.23 0.00 0.00 60.65 58.45 3g74 s ILE 15 Cb -0.11 -0.70 -0.29 0.00 -1.58 0.00 0.00 42.46 39.78 3g74 s ILE 15 CO -0.02 0.26 0.49 0.35 -1.23 0.00 0.00 174.94 174.79 3g74 n THR 16 N 3.78 0.29 -0.55 2.92 -2.24 -1.26 -0.14 114.28 117.08 3g74 n THR 16 Ca -0.23 -0.56 -0.29 0.00 -2.27 0.00 0.00 64.05 60.70 3g74 n THR 16 Cb 0.52 -0.12 0.23 0.00 -2.10 0.00 0.00 70.33 68.86 3g74 n THR 16 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3g74 n LYS 17 N -2.39 -1.93 -0.03 -0.78 5.02 -1.26 -4.78 118.16 112.01 3g74 n LYS 17 Ca -0.08 -0.53 -0.16 0.00 -2.02 0.00 0.00 58.31 55.53 3g74 n LYS 17 Cb 0.66 -2.15 -0.08 0.00 -0.02 0.00 0.00 35.03 33.44 3g74 n LYS 17 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 3g74 h LYS 18 N -2.44 0.58 -6.77 1.97 -0.00 -1.98 -3.44 116.57 104.48 3g74 h LYS 18 Ca -0.57 -0.45 -0.69 0.00 -0.00 0.00 0.00 60.65 58.94 3g74 h LYS 18 Cb 1.32 0.09 -0.25 0.00 -0.00 0.00 0.00 32.23 33.39 3g74 h LYS 18 CO 0.46 1.07 -0.87 -0.65 -0.00 0.00 0.00 179.45 179.46 3g74 s GLN 19 N -3.77 1.71 -0.20 0.07 1.11 -1.26 0.15 119.66 117.47 3g74 s GLN 19 Ca -0.12 -1.17 -0.07 0.00 0.01 0.00 0.00 55.36 54.01 3g74 s GLN 19 Cb 0.06 -1.98 -0.03 0.00 -1.01 0.00 0.00 33.01 30.05 3g74 s GLN 19 CO 0.84 0.50 0.05 0.54 0.01 0.00 0.00 175.29 177.22 3g74 s VAL 20 N -0.90 4.48 0.35 1.09 0.11 -0.43 -4.99 120.40 120.12 3g74 s VAL 20 Ca 0.13 -0.13 0.08 0.00 -2.93 0.00 0.00 61.98 59.12 3g74 s VAL 20 Cb -0.10 -3.04 -0.03 0.00 -1.53 0.00 0.00 36.38 31.68 3g74 s VAL 20 CO 0.04 0.42 0.25 0.42 -3.33 0.00 0.00 175.10 172.90 3g74 s THR 21 N 0.81 3.16 0.34 5.04 -4.23 -1.26 -1.85 115.64 117.64 3g74 s THR 21 Ca 0.03 -1.49 0.11 0.00 -1.18 0.00 0.00 61.69 59.16 3g74 s THR 21 Cb -0.14 -3.08 0.33 0.00 1.34 0.00 0.00 72.50 70.96 3g74 s THR 21 CO 0.02 -0.14 1.74 0.58 -0.54 0.00 0.00 174.62 176.28 3g74 h VAL 22 N 1.32 0.53 -0.15 2.29 2.07 -1.76 0.70 116.25 121.25 3g74 h VAL 22 Ca -0.44 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 66.78 3g74 h VAL 22 Cb 1.26 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3g74 h VAL 22 CO 0.60 0.10 -0.41 1.23 0.02 0.00 0.00 177.57 179.11 3g74 h GLY 23 N 0.54 0.37 1.88 2.17 0.00 -1.33 -0.74 103.07 105.97 3g74 h GLY 23 Ca 0.64 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3g74 h GLY 23 CO -0.44 0.33 0.00 1.22 0.00 0.00 0.00 176.54 177.65 3g74 n ASP 24 N -4.02 0.00 0.00 0.19 8.00 0.23 -3.54 116.55 117.41 3g74 n ASP 24 Ca -0.02 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.90 3g74 n ASP 24 Cb 0.49 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 3g74 n ASP 24 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3g74 n VAL 25 N -1.44 0.00 -3.69 2.53 0.31 -0.64 -4.96 118.33 110.44 3g74 n VAL 25 Ca 0.02 -0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 64.17 3g74 n VAL 25 Cb 0.06 0.48 -0.08 0.00 -0.91 0.00 0.00 33.84 33.39 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 -1.65 -1.10 0.22 3.52 0.00 -0.38 -1.93 121.76 120.45 3g74 s ALA 26 Ca 0.00 0.80 -0.24 0.00 0.00 0.00 0.00 51.96 52.53 3g74 s ALA 26 Cb 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 23.12 22.88 3g74 s ALA 26 CO 0.00 -0.27 0.80 0.15 0.00 0.00 0.00 175.76 176.43 3g74 s LYS 27 N -0.89 4.47 0.11 0.00 3.01 -0.75 -4.38 119.74 121.31 3g74 s LYS 27 Ca -0.09 1.10 0.08 0.00 -1.01 0.00 0.00 55.97 56.05 3g74 s LYS 27 Cb -0.04 -3.04 -0.04 0.00 -1.01 0.00 0.00 37.83 33.71 3g74 s LYS 27 CO 0.05 0.45 -0.21 -0.51 0.51 0.00 0.00 175.35 175.63 3g74 s LEU 28 N -1.61 2.31 -0.04 3.17 1.43 -1.26 -2.11 118.68 120.56 3g74 s LEU 28 Ca 0.41 -0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 3g74 s LEU 28 Cb -0.20 -0.91 0.03 0.00 0.03 0.00 0.00 46.19 45.14 3g74 s LEU 28 CO 0.24 0.07 0.08 -1.58 0.23 0.00 0.00 176.35 175.39 3g74 s GLN 29 N -1.95 -0.02 -0.04 1.70 2.00 -0.55 -4.99 119.66 115.81 3g74 s GLN 29 Ca 0.07 0.34 -0.04 0.00 -2.00 0.00 0.00 55.36 53.73 3g74 s GLN 29 Cb -0.10 -0.32 0.01 0.00 0.80 0.00 0.00 33.01 33.40 3g74 s GLN 29 CO 0.04 -0.24 0.12 0.00 -0.50 0.00 0.00 175.29 174.71 3g74 h LYS 31 N 6.03 0.42 -5.80 0.00 3.64 -2.00 -3.36 116.57 115.48 3g74 h LYS 31 Ca -0.26 -0.03 -0.62 0.00 -1.27 0.00 0.00 60.65 58.48 3g74 h LYS 31 Cb 1.20 -0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 32.80 3g74 h LYS 31 CO 0.44 0.28 0.51 1.21 -2.27 0.00 0.00 179.45 179.61 3g74 s ASN 32 N -5.27 6.35 0.43 4.20 2.47 -1.26 -4.92 114.94 116.94 3g74 s ASN 32 Ca -0.12 -0.34 0.30 0.00 0.42 0.00 0.00 52.86 53.12 3g74 s ASN 32 Cb 0.23 -2.42 1.37 0.00 -1.45 0.00 0.00 41.25 38.98 3g74 s ASN 32 CO 0.77 -1.16 1.90 0.11 -3.72 0.00 0.00 177.10 175.01 3g74 h LYS 33 N 9.24 0.00 0.00 0.43 6.56 -2.02 -1.73 116.57 129.05 3g74 h LYS 33 Ca -0.26 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.27 3g74 h LYS 33 Cb 1.08 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.73 3g74 h LYS 33 CO 1.06 0.00 -0.31 -0.91 -2.06 0.00 0.00 179.45 177.24 3g74 h ASN 34 N 0.00 0.00 0.65 0.86 2.35 -1.93 -1.04 115.58 116.47 3g74 h ASN 34 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3g74 h ASN 34 Cb 0.31 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.69 3g74 h ASN 34 CO 0.00 0.31 -0.31 0.40 -1.65 0.00 0.00 177.43 176.17 3g74 h ILE 35 N 0.00 0.07 -0.47 2.81 1.08 -1.70 -2.62 117.51 116.67 3g74 h ILE 35 Ca -0.00 -0.35 -0.11 0.00 -0.39 0.00 0.00 64.86 64.01 3g74 h ILE 35 Cb 0.56 0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 3g74 h ILE 35 CO 0.04 0.01 -0.15 0.71 -0.69 0.00 0.00 178.15 178.07 3g74 h THR 36 N -1.20 1.27 -0.33 -0.27 1.35 -1.64 -1.08 112.91 111.01 3g74 h THR 36 Ca -0.09 -1.28 0.03 0.00 -0.55 0.00 0.00 66.41 64.53 3g74 h THR 36 Cb 0.69 1.06 -0.03 0.00 -1.73 0.00 0.00 68.15 68.14 3g74 h THR 36 CO 0.15 0.44 0.12 -1.13 -0.25 0.00 0.00 175.52 174.85 3g74 h ASN 37 N 0.80 0.14 0.41 5.36 -0.73 -1.28 0.77 115.58 121.05 3g74 h ASN 37 Ca 0.12 0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.30 3g74 h ASN 37 Cb 0.69 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.30 3g74 h ASN 37 CO 0.05 0.12 -0.20 -0.09 -0.37 0.00 0.00 177.43 176.94 3g74 h ARG 38 N 0.26 -0.54 -0.29 6.67 9.65 -1.27 -3.24 114.38 125.63 3g74 h ARG 38 Ca 0.15 0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 58.98 3g74 h ARG 38 Cb 0.11 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 3g74 h ARG 38 CO -0.14 -0.30 -0.19 1.25 2.80 0.00 0.00 179.97 183.39 3g74 h LEU 39 N -0.67 0.51 -0.70 3.80 5.85 -0.88 -2.68 115.31 120.54 3g74 h LEU 39 Ca -0.06 -0.16 0.15 0.00 0.84 0.00 0.00 57.88 58.66 3g74 h LEU 39 Cb 0.49 -0.14 -0.12 0.00 0.37 0.00 0.00 40.66 41.26 3g74 h LEU 39 CO 0.09 0.72 -0.01 0.50 -0.34 0.00 0.00 178.44 179.41 3g74 h LYS 40 N 0.47 0.10 -5.46 1.25 3.64 0.54 -3.40 116.57 113.71 3g74 h LYS 40 Ca 0.08 -0.01 -0.64 0.00 -1.27 0.00 0.00 60.65 58.82 3g74 h LYS 40 Cb 0.60 -0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 32.25 3g74 h LYS 40 CO 0.04 0.07 0.45 -1.12 -2.27 0.00 0.00 179.45 176.62 3g74 s SER 41 N -5.21 6.24 -0.11 4.20 0.01 -1.02 -1.13 113.70 116.68 3g74 s SER 41 Ca -0.13 -0.79 0.03 0.00 1.31 0.00 0.00 55.95 56.36 3g74 s SER 41 Cb 0.21 -2.40 -0.00 0.00 0.21 0.00 0.00 66.02 64.04 3g74 s SER 41 CO 0.75 -1.27 -0.20 -0.54 0.41 0.00 0.00 173.24 172.39 3g74 s LYS 43 N 3.72 3.16 -0.22 12.44 1.02 -1.26 -4.88 119.74 133.72 3g74 s LYS 43 Ca 0.23 -0.82 0.11 0.00 0.02 0.00 0.00 55.97 55.52 3g74 s LYS 43 Cb -0.16 -2.42 -0.21 0.00 -0.52 0.00 0.00 37.83 34.52 3g74 s LYS 43 CO 0.13 0.18 -0.05 -0.11 -0.92 0.00 0.00 175.35 174.58 3g74 n LEU 44 N 3.55 1.19 0.00 3.17 7.94 -0.77 -4.88 117.00 127.21 3g74 n LEU 44 Ca -0.19 -0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.66 3g74 n LEU 44 Cb 0.53 -0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.41 3g74 n LEU 44 CO 0.29 0.67 0.00 0.00 -1.11 0.00 0.00 177.39 177.24 3g74 n LEU 45 N -2.94 0.00 -4.21 -1.96 -0.00 -1.20 -5.06 117.00 101.64 3g74 n LEU 45 Ca -0.37 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.38 3g74 n LEU 45 Cb 1.08 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 44.35 3g74 n LEU 45 CO 0.35 0.00 -0.52 -0.70 -0.00 0.00 0.00 177.39 176.53 3g74 s GLU 46 N -2.00 1.51 0.00 1.47 -6.30 -1.26 -1.32 118.70 110.81 3g74 s GLU 46 Ca 0.00 -0.75 -0.01 0.00 -2.50 0.00 0.00 54.97 51.71 3g74 s GLU 46 Cb 0.00 -1.50 -0.01 0.00 0.00 0.00 0.00 34.13 32.62 3g74 s GLU 46 CO 0.00 0.40 1.02 0.22 0.02 0.00 0.00 175.26 176.92 3g74 h ASP 47 N 5.47 -0.05 -0.59 -1.70 1.82 -0.59 -3.49 116.42 117.29 3g74 h ASP 47 Ca -0.39 0.00 -0.38 0.00 -0.39 0.00 0.00 57.03 55.87 3g74 h ASP 47 Cb 1.15 0.02 -0.05 0.00 0.68 0.00 0.00 39.33 41.13 3g74 h ASP 47 CO 0.47 -0.02 1.19 0.28 -1.61 0.00 0.00 179.24 179.55 3g74 s THR 48 N -3.10 3.62 -0.21 2.25 -1.32 -1.26 -5.12 115.64 110.50 3g74 s THR 48 Ca -0.01 -0.97 -0.17 0.00 -1.21 0.00 0.00 61.69 59.34 3g74 s THR 48 Cb 0.00 -4.59 -0.08 0.00 -1.51 0.00 0.00 72.50 66.33 3g74 s THR 48 CO 0.02 -1.16 -0.35 2.29 -2.21 0.00 0.00 174.62 173.21 3g74 n LYS 53 N 8.41 0.55 -3.94 7.08 0.00 -1.26 -5.26 118.16 123.74 3g74 n LYS 53 Ca 0.44 0.23 -0.10 0.00 -0.00 0.00 0.00 58.31 58.88 3g74 n LYS 53 Cb 0.47 -1.46 -0.12 0.00 -0.00 0.00 0.00 35.03 33.92 3g74 n LYS 53 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3g74 s ARG 54 N -2.76 0.18 -0.03 -1.58 1.70 -1.26 0.01 118.95 115.21 3g74 s ARG 54 Ca -0.32 -0.35 0.01 0.00 -0.47 0.00 0.00 55.73 54.60 3g74 s ARG 54 Cb 0.08 0.05 0.02 0.00 -0.57 0.00 0.00 34.95 34.53 3g74 s ARG 54 CO 0.45 -0.02 -0.02 0.71 -1.08 0.00 0.00 175.30 175.34 3g74 s TYR 55 N -0.82 0.40 0.02 5.89 2.02 0.16 -4.97 117.35 120.05 3g74 s TYR 55 Ca -0.09 -0.05 -0.15 0.00 -0.37 0.00 0.00 57.07 56.41 3g74 s TYR 55 Cb -0.06 -0.42 -0.06 0.00 -0.40 0.00 0.00 41.96 41.03 3g74 s TYR 55 CO -0.01 -0.11 0.43 0.96 -1.57 0.00 0.00 175.55 175.25 3g74 s ILE 56 N 0.76 4.99 -0.13 2.71 -4.36 -1.26 -0.53 121.20 123.39 3g74 s ILE 56 Ca -0.08 0.86 -0.00 0.00 -0.26 0.00 0.00 60.65 61.16 3g74 s ILE 56 Cb -0.11 -3.73 -0.02 0.00 1.25 0.00 0.00 42.46 39.85 3g74 s ILE 56 CO -0.01 0.54 -0.11 -0.69 0.24 0.00 0.00 174.94 174.91 3g74 s VAL 57 N -1.12 3.24 0.09 8.37 1.01 0.33 -4.93 120.40 127.39 3g74 s VAL 57 Ca 0.26 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 3g74 s VAL 57 Cb -0.17 -2.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.79 3g74 s VAL 57 CO 0.15 0.53 0.48 -0.55 0.00 0.00 0.00 175.10 175.71 3g74 s SER 58 N 0.21 6.81 0.00 3.32 0.15 -1.26 0.17 113.70 123.10 3g74 s SER 58 Ca -0.07 1.01 -0.00 0.00 0.70 0.00 0.00 55.95 57.59 3g74 s SER 58 Cb -0.15 -2.26 -0.00 0.00 -1.71 0.00 0.00 66.02 61.90 3g74 s SER 58 CO 0.05 0.19 0.07 0.00 1.20 0.00 0.00 173.24 174.74 3g74 n ILE 59 N 1.16 0.05 0.00 6.45 0.13 0.45 -3.34 119.36 124.27 3g74 n ILE 59 Ca -0.08 -0.01 0.00 0.00 -1.10 0.00 0.00 62.75 61.55 3g74 n ILE 59 Cb 0.52 -1.03 0.00 0.00 -0.84 0.00 0.00 39.64 38.29 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 2.01 0.00 -0.23 9.51 3.00 -1.26 -1.16 118.16 130.04 3g74 n LYS 61 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 3g74 n LYS 61 Cb 0.01 0.00 0.10 0.00 0.00 0.00 0.00 35.03 35.14 3g74 n LYS 61 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 3g74 h ILE 62 N 0.00 1.25 -0.37 3.15 2.04 -1.99 -3.00 117.51 118.60 3g74 h ILE 62 Ca 0.00 -0.89 -0.08 0.00 1.00 0.00 0.00 64.86 64.89 3g74 h ILE 62 Cb 0.00 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3g74 h ILE 62 CO 0.00 0.35 -0.07 0.40 0.00 0.00 0.00 178.15 178.83 3g74 h ILE 63 N 1.02 1.27 0.00 -0.67 2.04 -1.46 -0.83 117.51 118.88 3g74 h ILE 63 Ca 0.22 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.96 3g74 h ILE 63 Cb 0.31 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3g74 h ILE 63 CO -0.00 0.37 0.00 1.21 0.00 0.00 0.00 178.15 179.73 3g74 n GLU 64 N -4.41 0.00 0.00 2.37 2.13 -1.13 -1.09 120.64 118.51 3g74 n GLU 64 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 3g74 n GLU 64 Cb 0.33 -0.95 0.00 0.00 0.27 0.00 0.00 31.44 31.09 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 0.49 0.00 0.14 4.31 0.00 -0.32 -0.91 120.51 124.22 3g74 n ALA 66 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 3g74 n ALA 66 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 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 0.09 1.52 0.00 3.32 -1.37 -0.52 116.42 119.45 3g74 h ASP 67 Ca 0.00 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 3g74 h ASP 67 Cb 0.00 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3g74 h ASP 67 CO 0.00 0.55 -0.49 1.56 -1.72 0.00 0.00 179.24 179.13 3g74 h GLN 68 N 0.07 0.00 0.02 3.56 4.20 -1.26 -3.36 115.11 118.34 3g74 h GLN 68 Ca 0.00 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.37 3g74 h GLN 68 Cb 0.86 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.59 3g74 h GLN 68 CO 0.07 0.35 -2.05 2.41 -0.67 0.00 0.00 178.83 178.93 3g74 n THR 69 N -3.14 1.57 -4.36 -0.54 -1.04 -0.87 -5.02 114.28 100.88 3g74 n THR 69 Ca 0.01 -0.76 -0.27 0.00 -2.04 0.00 0.00 64.05 60.99 3g74 n THR 69 Cb 0.69 -1.07 -0.11 0.00 -1.82 0.00 0.00 70.33 68.02 3g74 n THR 69 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3g74 s PHE 70 N -2.55 2.45 -0.15 -1.42 0.08 -0.26 -5.10 117.98 111.03 3g74 s PHE 70 Ca -0.13 -0.30 -0.15 0.00 0.12 0.00 0.00 56.93 56.47 3g74 s PHE 70 Cb 0.07 -1.23 -0.12 0.00 -0.57 0.00 0.00 43.02 41.17 3g74 s PHE 70 CO 0.79 0.47 0.19 0.37 -0.10 0.00 0.00 175.22 176.94 3g74 h GLN 71 N 3.26 0.00 -2.07 0.44 5.75 -1.90 -3.43 115.11 117.16 3g74 h GLN 71 Ca -0.47 0.00 -0.55 0.00 -0.15 0.00 0.00 58.65 57.47 3g74 h GLN 71 Cb 1.20 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.34 3g74 h GLN 71 CO 0.49 0.50 -0.98 0.09 -2.65 0.00 0.00 178.83 176.28 3g74 n ASN 72 N -4.61 1.54 -3.80 -0.69 3.02 -1.26 -5.03 115.26 104.44 3g74 n ASN 72 Ca -0.13 -3.04 -0.29 0.00 -0.03 0.00 0.00 54.58 51.10 3g74 n ASN 72 Cb 0.36 -0.63 -0.16 0.00 -0.61 0.00 0.00 39.78 38.74 3g74 n ASN 72 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3g74 s VAL 73 N -2.14 0.94 0.03 2.41 1.01 -1.26 -0.08 120.40 121.30 3g74 s VAL 73 Ca 0.39 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3g74 s VAL 73 Cb 0.23 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 3g74 s VAL 73 CO -0.09 -0.33 0.12 1.51 0.00 0.00 0.00 175.10 176.32 3g74 s ASP 74 N 1.64 5.88 0.01 3.32 1.47 -0.75 -4.91 116.67 123.32 3g74 s ASP 74 Ca 0.01 0.16 0.02 0.00 1.18 0.00 0.00 52.55 53.93 3g74 s ASP 74 Cb -0.18 -1.71 -0.04 0.00 -0.34 0.00 0.00 42.92 40.65 3g74 s ASP 74 CO -0.13 0.23 -0.03 -0.63 0.68 0.00 0.00 175.17 175.30 3g74 s ILE 75 N -1.32 3.94 -0.18 2.11 1.01 -1.26 -1.20 121.20 124.30 3g74 s ILE 75 Ca 0.27 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 3g74 s ILE 75 Cb -0.12 -2.75 0.05 0.00 0.01 0.00 0.00 42.46 39.64 3g74 s ILE 75 CO 0.19 0.36 -0.04 -1.58 0.00 0.00 0.00 174.94 173.87 3g74 s GLN 76 N -1.56 1.34 -0.42 2.79 0.74 0.30 -4.94 119.66 117.91 3g74 s GLN 76 Ca 0.19 -0.56 -0.25 0.00 0.05 0.00 0.00 55.36 54.79 3g74 s GLN 76 Cb -0.11 -2.08 0.02 0.00 1.10 0.00 0.00 33.01 31.94 3g74 s GLN 76 CO 0.10 -0.48 0.91 1.21 -0.55 0.00 0.00 175.29 176.47 3g74 s ASN 77 N 1.64 6.57 0.01 6.67 3.04 -1.26 -1.86 114.94 129.75 3g74 s ASN 77 Ca -0.00 0.31 0.22 0.00 0.04 0.00 0.00 52.86 53.42 3g74 s ASN 77 Cb -0.16 -2.45 -0.23 0.00 -1.54 0.00 0.00 41.25 36.87 3g74 s ASN 77 CO -0.07 -0.94 0.68 -0.38 -3.04 0.00 0.00 177.10 173.35 3g74 n ILE 78 N 6.18 0.10 -0.81 -5.21 2.08 0.27 -4.95 119.36 117.02 3g74 n ILE 78 Ca 0.06 -0.40 0.00 0.00 0.56 0.00 0.00 62.75 62.97 3g74 n ILE 78 Cb 0.48 0.14 0.00 0.00 -0.75 0.00 0.00 39.64 39.51 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 1.30 4.79 3.68 7.39 0.00 -1.02 -4.89 105.19 116.43 3g74 n GLY 79 Ca -0.02 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 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 3.81 0.74 -0.01 1.61 0.41 -1.26 -4.97 118.70 119.03 3g74 s GLU 80 Ca 0.00 0.78 0.09 0.00 -0.41 0.00 0.00 54.97 55.43 3g74 s GLU 80 Cb 0.00 -1.75 -0.12 0.00 -1.78 0.00 0.00 34.13 30.48 3g74 s GLU 80 CO 0.00 -2.58 0.26 0.25 -0.49 0.00 0.00 175.26 172.69 3g74 n THR 81 N -4.11 0.00 -4.09 3.63 -2.24 -1.26 -4.78 114.28 101.43 3g74 n THR 81 Ca 0.06 -0.24 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 3g74 n THR 81 Cb 0.55 0.57 -0.13 0.00 -2.10 0.00 0.00 70.33 69.22 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 -2.30 0.44 -0.08 -0.78 0.41 -1.26 -0.41 118.70 114.73 3g74 s GLU 82 Ca -0.01 -0.45 -0.04 0.00 -0.41 0.00 0.00 54.97 54.06 3g74 s GLU 82 Cb 0.06 -0.31 0.04 0.00 -1.78 0.00 0.00 34.13 32.14 3g74 s GLU 82 CO 0.36 0.07 0.17 0.00 -0.49 0.00 0.00 175.26 175.37 3g74 s VAL 84 N 1.34 4.92 -0.23 0.00 1.01 -0.39 0.12 120.40 127.17 3g74 s VAL 84 Ca -0.08 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 3g74 s VAL 84 Cb -0.11 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 3g74 s VAL 84 CO -0.07 -0.44 0.39 -0.69 0.00 0.00 0.00 175.10 174.30 3g74 s VAL 85 N 2.60 5.19 -0.18 2.92 1.01 0.31 -0.04 120.40 132.21 3g74 s VAL 85 Ca 0.20 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3g74 s VAL 85 Cb -0.15 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.52 3g74 s VAL 85 CO 0.16 0.22 -0.17 -0.70 0.00 0.00 0.00 175.10 174.61 3g74 s GLU 86 N 1.58 3.10 -0.07 2.72 2.12 0.39 0.35 118.70 128.89 3g74 s GLU 86 Ca 0.18 -0.78 -0.30 0.00 0.36 0.00 0.00 54.97 54.43 3g74 s GLU 86 Cb -0.15 -2.64 -0.02 0.00 0.26 0.00 0.00 34.13 31.58 3g74 s GLU 86 CO 0.08 -0.14 1.06 -0.06 -0.54 0.00 0.00 175.26 175.67 3g74 s PHE 87 N 1.16 3.45 0.00 5.30 0.08 0.10 -1.47 117.98 126.61 3g74 s PHE 87 Ca 0.01 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.56 3g74 s PHE 87 Cb -0.14 -3.25 0.00 0.00 -0.57 0.00 0.00 43.02 39.06 3g74 s PHE 87 CO -0.07 -0.53 0.00 1.17 -0.10 0.00 0.00 175.22 175.69 3g74 n LYS 88 N 4.83 2.01 -2.95 0.44 0.00 0.80 -4.79 118.16 118.50 3g74 n LYS 88 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.27 3g74 n LYS 88 Cb 0.48 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.55 3g74 n LYS 88 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 3g74 n THR 89 N 0.00 -1.47 1.90 3.15 5.66 -1.26 -4.83 114.28 117.43 3g74 n THR 89 Ca 0.00 0.00 0.16 0.00 -3.05 0.00 0.00 64.05 61.16 3g74 n THR 89 Cb 0.00 -2.71 0.87 0.00 -1.55 0.00 0.00 70.33 66.93 3g74 n THR 89 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37