#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zg2 s ASN 7 N 0.00 6.65 -0.02 7.83 4.22 -1.26 -3.87 114.94 128.49 1zg2 s ASN 7 Ca 0.00 -1.97 -0.26 0.00 -2.14 0.00 0.00 52.86 48.49 1zg2 s ASN 7 Cb 0.00 -2.58 -0.04 0.00 1.28 0.00 0.00 41.25 39.91 1zg2 s ASN 7 CO 0.00 -1.36 0.79 -2.28 -2.04 0.00 0.00 177.10 172.21 1zg2 s HIS 8 N 4.72 3.64 -0.18 1.54 2.46 -0.92 -4.04 115.29 122.51 1zg2 s HIS 8 Ca 0.51 1.43 -0.01 0.00 0.47 0.00 0.00 55.06 57.46 1zg2 s HIS 8 Cb 0.02 -2.89 -0.00 0.00 -0.13 0.00 0.00 32.58 29.58 1zg2 s HIS 8 CO -0.00 0.12 -0.12 0.71 -2.47 0.00 0.00 174.74 172.97 1zg2 s TYR 9 N 0.60 2.85 -0.73 3.88 2.02 0.34 -0.74 117.35 125.57 1zg2 s TYR 9 Ca 0.41 -1.09 -0.17 0.00 -0.37 0.00 0.00 57.07 55.85 1zg2 s TYR 9 Cb -0.19 -1.97 0.15 0.00 -0.40 0.00 0.00 41.96 39.55 1zg2 s TYR 9 CO 0.22 -0.55 0.80 0.08 -1.57 0.00 0.00 175.55 174.53 1zg2 s VAL 10 N 1.11 5.08 -0.09 0.71 1.01 0.14 -2.69 120.40 125.66 1zg2 s VAL 10 Ca 0.00 -1.61 -0.01 0.00 0.00 0.00 0.00 61.98 60.36 1zg2 s VAL 10 Cb -0.14 -4.53 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 1zg2 s VAL 10 CO -0.04 -1.16 -0.03 -0.72 0.00 0.00 0.00 175.10 173.16 1zg2 s TYR 11 N 1.83 3.05 -0.15 5.22 -0.85 -1.05 -0.67 117.35 124.74 1zg2 s TYR 11 Ca 0.17 0.03 0.02 0.00 -0.52 0.00 0.00 57.07 56.77 1zg2 s TYR 11 Cb -0.16 -1.80 0.02 0.00 0.38 0.00 0.00 41.96 40.39 1zg2 s TYR 11 CO -0.02 0.31 -0.19 -1.50 -1.52 0.00 0.00 175.55 172.63 1zg2 s ILE 12 N -0.59 1.89 -0.22 -3.49 2.07 -0.48 0.74 121.20 121.13 1zg2 s ILE 12 Ca 0.09 -0.86 -0.06 0.00 -1.41 0.00 0.00 60.65 58.41 1zg2 s ILE 12 Cb -0.12 -1.70 -0.03 0.00 0.13 0.00 0.00 42.46 40.75 1zg2 s ILE 12 CO 0.02 0.52 0.03 -0.76 -1.91 0.00 0.00 174.94 172.83 1zg2 s LEU 13 N 1.06 3.35 -0.41 8.50 1.02 0.23 -2.14 118.68 130.29 1zg2 s LEU 13 Ca -0.02 -0.19 -0.29 0.00 0.02 0.00 0.00 54.13 53.65 1zg2 s LEU 13 Cb -0.14 -1.87 0.02 0.00 0.02 0.00 0.00 46.19 44.22 1zg2 s LEU 13 CO -0.06 0.03 1.10 -0.70 0.02 0.00 0.00 176.35 176.74 1zg2 s GLU 14 N 1.19 3.86 0.72 1.70 2.12 0.57 0.11 118.70 128.96 1zg2 s GLU 14 Ca 0.04 0.75 -0.11 0.00 0.36 0.00 0.00 54.97 56.01 1zg2 s GLU 14 Cb -0.14 -3.84 0.02 0.00 0.26 0.00 0.00 34.13 30.43 1zg2 s GLU 14 CO 0.02 -1.17 1.07 0.00 -0.54 0.00 0.00 175.26 174.64 1zg2 h LYS 16 N -0.81 0.11 0.00 0.00 3.64 -1.88 0.23 116.57 117.86 1zg2 h LYS 16 Ca -0.44 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.89 1zg2 h LYS 16 Cb 1.22 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1zg2 h LYS 16 CO 0.55 0.07 -0.21 -0.44 -2.27 0.00 0.00 179.45 177.15 1zg2 h ASP 17 N 0.11 0.00 0.00 4.20 3.32 -1.91 -3.46 116.42 118.68 1zg2 h ASP 17 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1zg2 h ASP 17 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1zg2 h ASP 17 CO -0.05 0.21 0.00 0.61 -1.72 0.00 0.00 179.24 178.30 1zg2 n GLY 18 N -0.31 0.80 3.70 2.75 0.00 0.80 -5.09 105.19 107.84 1zg2 n GLY 18 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1zg2 n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zg2 s SER 19 N -1.42 7.12 -0.40 1.61 0.15 -1.25 -4.79 113.70 114.72 1zg2 s SER 19 Ca 0.00 1.36 -0.22 0.00 0.70 0.00 0.00 55.95 57.79 1zg2 s SER 19 Cb 0.00 -2.49 0.01 0.00 -1.71 0.00 0.00 66.02 61.84 1zg2 s SER 19 CO 0.00 -0.28 0.74 0.26 1.20 0.00 0.00 173.24 175.17 1zg2 s TRP 20 N 1.38 3.08 -0.32 3.44 0.51 -1.26 -0.58 118.94 125.19 1zg2 s TRP 20 Ca 0.43 0.34 -0.16 0.00 -2.12 0.00 0.00 56.10 54.59 1zg2 s TRP 20 Cb -0.18 -3.43 -0.02 0.00 -0.81 0.00 0.00 33.47 29.03 1zg2 s TRP 20 CO 0.19 -0.80 0.43 -0.47 -0.51 0.00 0.00 176.95 175.79 1zg2 s TYR 21 N 3.06 3.21 -0.44 -1.98 5.04 0.12 -4.87 117.35 121.49 1zg2 s TYR 21 Ca 0.29 0.23 -0.24 0.00 -2.44 0.00 0.00 57.07 54.90 1zg2 s TYR 21 Cb -0.13 -2.74 0.02 0.00 0.35 0.00 0.00 41.96 39.47 1zg2 s TYR 21 CO 0.19 -0.40 0.87 0.99 -1.34 0.00 0.00 175.55 175.85 1zg2 s THR 22 N 2.19 4.56 -0.11 4.34 2.01 -1.26 -0.60 115.64 126.78 1zg2 s THR 22 Ca 0.16 0.69 -0.10 0.00 0.31 0.00 0.00 61.69 62.76 1zg2 s THR 22 Cb -0.16 -4.37 -0.05 0.00 0.01 0.00 0.00 72.50 67.94 1zg2 s THR 22 CO 0.11 -0.73 0.21 -0.83 -0.69 0.00 0.00 174.62 172.69 1zg2 s GLY 23 N 2.15 2.22 -0.29 4.40 0.00 0.23 -4.97 107.32 111.06 1zg2 s GLY 23 Ca 0.34 -0.54 -0.09 0.00 0.00 0.00 0.00 44.72 44.43 1zg2 s GLY 23 CO 0.24 -0.14 0.14 -0.47 0.00 0.00 0.00 173.10 172.87 1zg2 s TYR 24 N -0.76 3.16 -0.00 1.90 6.14 -1.26 -2.53 117.35 124.00 1zg2 s TYR 24 Ca 0.16 -0.45 0.00 0.00 0.64 0.00 0.00 57.07 57.43 1zg2 s TYR 24 Cb -0.13 -2.33 0.00 0.00 0.42 0.00 0.00 41.96 39.92 1zg2 s TYR 24 CO 0.05 -0.40 -0.00 -0.08 0.64 0.00 0.00 175.55 175.77 1zg2 s THR 25 N 1.63 0.03 -0.45 4.34 -1.32 -1.10 -5.04 115.64 113.74 1zg2 s THR 25 Ca 0.05 -0.01 0.06 0.00 -1.21 0.00 0.00 61.69 60.58 1zg2 s THR 25 Cb -0.16 -0.03 0.20 0.00 -1.51 0.00 0.00 72.50 70.99 1zg2 s THR 25 CO 0.06 0.01 0.56 0.41 -2.21 0.00 0.00 174.62 173.45 1zg2 n THR 26 N 3.10 -0.62 -3.72 5.08 -1.04 -1.26 -0.51 114.28 115.32 1zg2 n THR 26 Ca -0.12 -2.59 -0.27 0.00 -2.04 0.00 0.00 64.05 59.03 1zg2 n THR 26 Cb 0.60 -0.54 -0.17 0.00 -1.82 0.00 0.00 70.33 68.40 1zg2 n THR 26 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1zg2 s ASP 27 N -0.19 2.66 0.31 8.00 2.15 -1.26 -4.91 116.67 123.44 1zg2 s ASP 27 Ca 0.32 -0.70 0.01 0.00 0.43 0.00 0.00 52.55 52.61 1zg2 s ASP 27 Cb 0.08 -0.52 0.49 0.00 -0.30 0.00 0.00 42.92 42.67 1zg2 s ASP 27 CO -0.15 -0.30 1.88 1.62 -0.17 0.00 0.00 175.17 178.05 1zg2 h VAL 28 N 6.48 1.21 -0.39 1.11 3.04 -1.98 -3.09 116.25 122.61 1zg2 h VAL 28 Ca -0.16 -0.68 -0.03 0.00 -1.01 0.00 0.00 66.70 64.81 1zg2 h VAL 28 Cb 1.13 0.61 -0.02 0.00 -2.01 0.00 0.00 31.29 31.00 1zg2 h VAL 28 CO 0.32 0.26 0.12 -0.78 -1.01 0.00 0.00 177.57 176.49 1zg2 h ASP 29 N 0.76 0.57 -0.55 3.17 3.58 -1.98 0.37 116.42 122.34 1zg2 h ASP 29 Ca 0.18 -0.20 0.08 0.00 0.42 0.00 0.00 57.03 57.51 1zg2 h ASP 29 Cb 0.20 -0.15 -0.07 0.00 1.72 0.00 0.00 39.33 41.04 1zg2 h ASP 29 CO -0.01 0.62 0.19 -0.09 -2.88 0.00 0.00 179.24 177.08 1zg2 h ARG 30 N 0.49 0.36 0.07 0.28 2.43 -1.97 0.17 114.38 116.21 1zg2 h ARG 30 Ca 0.13 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1zg2 h ARG 30 Cb 0.26 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1zg2 h ARG 30 CO -0.00 0.24 -0.03 -0.09 -1.51 0.00 0.00 179.97 178.57 1zg2 h ARG 31 N 0.37 -0.09 -0.46 0.20 1.12 -1.38 -2.79 114.38 111.35 1zg2 h ARG 31 Ca 0.27 0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 59.12 1zg2 h ARG 31 Cb 0.32 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.28 1zg2 h ARG 31 CO -0.28 0.37 0.15 0.97 -3.11 0.00 0.00 179.97 178.07 1zg2 h ILE 32 N -0.60 1.18 -0.04 1.20 2.10 -0.80 -2.22 117.51 118.33 1zg2 h ILE 32 Ca -0.01 -0.61 -0.00 0.00 1.08 0.00 0.00 64.86 65.32 1zg2 h ILE 32 Cb 0.51 0.68 -0.00 0.00 -1.09 0.00 0.00 36.82 36.91 1zg2 h ILE 32 CO 0.02 0.23 0.03 0.50 -1.08 0.00 0.00 178.15 177.84 1zg2 h LYS 33 N 0.65 0.06 0.00 2.19 1.63 -0.67 0.18 116.57 120.61 1zg2 h LYS 33 Ca 0.15 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.93 1zg2 h LYS 33 Cb 0.18 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1zg2 h LYS 33 CO -0.01 0.08 -0.08 0.87 -3.45 0.00 0.00 179.45 176.86 1zg2 h LYS 34 N 0.02 0.00 -0.15 1.90 1.79 -1.22 0.83 116.57 119.74 1zg2 h LYS 34 Ca 0.02 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.42 1zg2 h LYS 34 Cb 0.04 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1zg2 h LYS 34 CO -0.00 0.08 -0.16 0.45 -1.08 0.00 0.00 179.45 178.73 1zg2 h HIS 35 N 0.00 0.46 0.73 -1.35 3.86 -0.76 0.23 115.15 118.32 1zg2 h HIS 35 Ca -0.00 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.03 1zg2 h HIS 35 Cb 0.14 -0.10 0.01 0.00 1.06 0.00 0.00 27.41 28.53 1zg2 h HIS 35 CO 0.00 0.77 -0.35 0.00 0.86 0.00 0.00 177.93 179.21 1zg2 h ALA 36 N 0.61 -0.98 0.02 2.45 0.00 0.29 -2.73 119.26 118.92 1zg2 h ALA 36 Ca 0.02 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1zg2 h ALA 36 Cb 0.70 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1zg2 h ALA 36 CO 0.04 -1.01 -0.86 0.77 0.00 0.00 0.00 179.25 178.19 1zg2 h SER 37 N -1.07 0.08 0.07 0.00 0.02 -1.00 -3.40 113.55 108.25 1zg2 h SER 37 Ca -0.10 -0.75 -0.14 0.00 -0.84 0.00 0.00 61.79 59.96 1zg2 h SER 37 Cb 0.77 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.30 1zg2 h SER 37 CO 0.17 1.35 -0.58 1.23 -1.14 0.00 0.00 176.83 177.85 1zg2 h GLY 38 N -0.78 0.30 0.00 -3.77 0.00 -1.23 -3.47 103.07 94.12 1zg2 h GLY 38 Ca -0.22 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.44 1zg2 h GLY 38 CO -0.08 0.59 0.00 0.28 0.00 0.00 0.00 176.54 177.32 1zg2 n LYS 39 N -4.26 0.00 0.00 4.80 5.02 0.63 -2.20 118.16 122.15 1zg2 n LYS 39 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1zg2 n LYS 39 Cb 0.70 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.71 1zg2 n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1zg2 n GLY 40 N 0.00 -0.18 3.59 0.72 0.00 -1.26 -4.84 105.19 103.22 1zg2 n GLY 40 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1zg2 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zg2 s ALA 41 N -0.05 2.72 0.00 4.61 0.00 -0.93 -4.94 121.76 123.16 1zg2 s ALA 41 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1zg2 s ALA 41 Cb 0.00 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 19.05 1zg2 s ALA 41 CO 0.00 -2.86 0.00 0.36 0.00 0.00 0.00 175.76 173.26 1zg2 n LYS 42 N 8.59 1.75 -0.44 0.00 2.85 -1.26 -4.96 118.16 124.70 1zg2 n LYS 42 Ca 0.25 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.50 1zg2 n LYS 42 Cb 0.47 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.84 1zg2 n LYS 42 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 1zg2 n TYR 43 N -0.48 0.00 -2.03 5.58 0.18 -1.26 -4.85 117.16 114.30 1zg2 n TYR 43 Ca 0.00 -0.84 -0.32 0.00 1.88 0.00 0.00 57.90 58.62 1zg2 n TYR 43 Cb 0.00 -0.53 -0.04 0.00 -0.38 0.00 0.00 39.34 38.39 1zg2 n TYR 43 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 1zg2 s THR 44 N 0.47 3.39 -0.23 -3.48 2.01 -1.26 -4.13 115.64 112.42 1zg2 s THR 44 Ca 0.05 -0.11 -0.01 0.00 0.31 0.00 0.00 61.69 61.92 1zg2 s THR 44 Cb 0.02 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.59 1zg2 s THR 44 CO 0.00 -0.90 0.02 0.54 -0.69 0.00 0.00 174.62 173.59 1zg2 n ARG 45 N 9.00 -2.75 0.00 4.92 3.00 -1.26 -5.08 116.66 124.50 1zg2 n ARG 45 Ca 0.32 2.30 0.00 0.00 -0.01 0.00 0.00 57.85 60.45 1zg2 n ARG 45 Cb 0.49 -4.32 0.00 0.00 0.00 0.00 0.00 32.46 28.63 1zg2 n ARG 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1zg2 n GLY 46 N 0.60 1.36 0.10 -0.13 0.00 -1.26 -5.09 105.19 100.77 1zg2 n GLY 46 Ca -0.03 -1.95 -0.07 0.00 0.00 0.00 0.00 46.02 43.97 1zg2 n GLY 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1zg2 n ARG 47 N 0.00 0.42 0.00 1.61 0.00 -1.26 -5.14 116.66 112.29 1zg2 n ARG 47 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 57.85 58.01 1zg2 n ARG 47 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 32.46 31.23 1zg2 n ARG 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1zg2 n GLY 48 N 1.53 0.13 3.38 5.14 0.00 -1.26 -4.81 105.19 109.30 1zg2 n GLY 48 Ca -0.11 -2.25 -0.45 0.00 0.00 0.00 0.00 46.02 43.21 1zg2 n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1zg2 s PRO 49 N 0.00 3.17 -0.01 1.61 0.04 -1.26 -5.15 135.00 133.40 1zg2 s PRO 49 Ca 0.00 -1.45 0.00 0.00 0.04 0.00 0.00 61.00 59.59 1zg2 s PRO 49 Cb 0.00 -4.36 0.01 0.00 0.04 0.00 0.00 34.50 30.19 1zg2 s PRO 49 CO 0.00 -1.57 -0.00 -0.59 0.04 0.00 0.00 177.00 174.88 1zg2 s PHE 50 N 2.54 0.13 -0.36 0.56 -0.71 -1.26 -3.26 117.98 115.61 1zg2 s PHE 50 Ca 0.16 0.01 -0.04 0.00 -1.04 0.00 0.00 56.93 56.01 1zg2 s PHE 50 Cb -0.20 -0.15 0.07 0.00 -1.21 0.00 0.00 43.02 41.53 1zg2 s PHE 50 CO 0.03 -0.04 0.13 0.50 -1.34 0.00 0.00 175.22 174.50 1zg2 s ARG 51 N 0.32 2.37 -0.46 1.99 6.06 0.17 -4.91 118.95 124.49 1zg2 s ARG 51 Ca -0.03 -1.44 -0.28 0.00 -2.50 0.00 0.00 55.73 51.48 1zg2 s ARG 51 Cb -0.05 -3.46 -0.02 0.00 0.06 0.00 0.00 34.95 31.48 1zg2 s ARG 51 CO -0.01 -0.82 1.77 -1.17 -2.50 0.00 0.00 175.30 172.57 1zg2 s LEU 52 N 1.28 3.42 -0.11 -0.88 2.96 -1.26 -0.32 118.68 123.78 1zg2 s LEU 52 Ca 0.01 0.82 -0.04 0.00 -0.22 0.00 0.00 54.13 54.70 1zg2 s LEU 52 Cb -0.21 -3.09 -0.03 0.00 0.50 0.00 0.00 46.19 43.36 1zg2 s LEU 52 CO -0.01 -1.96 0.06 0.58 -1.32 0.00 0.00 176.35 173.71 1zg2 h VAL 53 N 6.79 0.18 -3.31 1.68 2.07 -1.81 -3.49 116.25 118.36 1zg2 h VAL 53 Ca -0.29 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 1zg2 h VAL 53 Cb 1.16 0.35 -0.11 0.00 -1.52 0.00 0.00 31.29 31.17 1zg2 h VAL 53 CO 1.12 0.06 0.01 0.00 0.02 0.00 0.00 177.57 178.79 1zg2 s ALA 54 N -2.53 -0.97 -0.16 1.67 0.00 -1.25 -5.04 121.76 113.48 1zg2 s ALA 54 Ca -0.03 -0.14 -0.05 0.00 0.00 0.00 0.00 51.96 51.74 1zg2 s ALA 54 Cb -0.00 0.82 0.08 0.00 0.00 0.00 0.00 23.12 24.02 1zg2 s ALA 54 CO 0.09 -0.76 0.32 0.99 0.00 0.00 0.00 175.76 176.39 1zg2 s THR 55 N -3.85 -0.50 -0.18 0.00 2.01 -1.26 -1.38 115.64 110.48 1zg2 s THR 55 Ca 0.07 0.21 -0.07 0.00 0.31 0.00 0.00 61.69 62.22 1zg2 s THR 55 Cb -0.00 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 1zg2 s THR 55 CO -0.06 0.08 0.04 0.26 -0.69 0.00 0.00 174.62 174.25 1zg2 s TRP 56 N 2.49 3.18 -0.20 4.92 0.51 0.16 -4.90 118.94 125.08 1zg2 s TRP 56 Ca 0.01 -0.08 -0.05 0.00 -2.12 0.00 0.00 56.10 53.86 1zg2 s TRP 56 Cb -0.12 -2.07 -0.03 0.00 -0.81 0.00 0.00 33.47 30.44 1zg2 s TRP 56 CO -0.10 0.04 0.01 0.00 -0.51 0.00 0.00 176.95 176.39 1zg2 s ALA 57 N 0.53 3.07 -0.06 0.98 0.00 -1.26 0.27 121.76 125.29 1zg2 s ALA 57 Ca 0.02 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.00 1zg2 s ALA 57 Cb -0.13 -1.81 0.02 0.00 0.00 0.00 0.00 23.12 21.20 1zg2 s ALA 57 CO 0.01 -0.16 -0.05 -0.06 0.00 0.00 0.00 175.76 175.50 1zg2 s PHE 58 N 1.01 0.92 -0.48 0.00 0.08 0.08 -4.97 117.98 114.62 1zg2 s PHE 58 Ca 0.02 -0.30 0.08 0.00 0.12 0.00 0.00 56.93 56.85 1zg2 s PHE 58 Cb -0.14 -0.80 0.51 0.00 -0.57 0.00 0.00 43.02 42.02 1zg2 s PHE 58 CO 0.02 -0.25 1.35 -0.35 -0.10 0.00 0.00 175.22 175.88 1zg2 n PRO 59 N 4.23 3.21 -5.30 0.24 -0.04 -1.25 -2.16 135.00 133.93 1zg2 n PRO 59 Ca -0.21 -1.99 -0.31 0.00 -0.04 0.00 0.00 63.50 60.94 1zg2 n PRO 59 Cb 0.51 -1.95 -0.16 0.00 -0.04 0.00 0.00 33.50 31.85 1zg2 n PRO 59 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1zg2 s SER 60 N -0.49 3.06 0.06 3.54 0.01 -1.26 -4.61 113.70 114.01 1zg2 s SER 60 Ca 0.35 -0.48 -0.34 0.00 1.31 0.00 0.00 55.95 56.79 1zg2 s SER 60 Cb 0.27 -0.49 -0.19 0.00 0.21 0.00 0.00 66.02 65.82 1zg2 s SER 60 CO 0.10 0.30 1.58 0.50 0.41 0.00 0.00 173.24 176.13 1zg2 h LYS 61 N 5.66 -1.00 -0.24 12.44 3.64 -1.93 -1.09 116.57 134.03 1zg2 h LYS 61 Ca -0.40 0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.07 1zg2 h LYS 61 Cb 1.14 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 1zg2 h LYS 61 CO 0.47 -0.67 0.11 1.49 -2.27 0.00 0.00 179.45 178.59 1zg2 h GLU 62 N -1.06 0.24 -0.50 1.90 4.81 -1.98 0.52 114.58 118.51 1zg2 h GLU 62 Ca -0.11 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1zg2 h GLU 62 Cb 0.80 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.08 1zg2 h GLU 62 CO 0.17 0.16 0.23 1.49 -0.73 0.00 0.00 179.01 180.33 1zg2 h GLU 63 N 0.24 0.44 0.19 1.92 4.57 -1.97 0.39 114.58 120.36 1zg2 h GLU 63 Ca 0.10 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1zg2 h GLU 63 Cb 0.04 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1zg2 h GLU 63 CO -0.08 0.29 -0.09 0.00 -1.18 0.00 0.00 179.01 177.95 1zg2 h ALA 64 N 1.29 -0.25 -0.14 2.92 0.00 -0.72 0.16 119.26 122.51 1zg2 h ALA 64 Ca 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1zg2 h ALA 64 Cb 0.17 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1zg2 h ALA 64 CO -0.18 -0.59 0.05 1.98 0.00 0.00 0.00 179.25 180.51 1zg2 h MET 65 N -0.36 0.21 -0.41 0.00 1.85 -0.56 -2.87 114.93 112.78 1zg2 h MET 65 Ca -0.03 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 58.98 1zg2 h MET 65 Cb 0.28 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.26 1zg2 h MET 65 CO 0.04 0.31 0.07 -0.09 -0.40 0.00 0.00 176.91 176.85 1zg2 h ARG 66 N 0.07 0.68 -0.05 0.39 2.43 -0.24 -2.61 114.38 115.04 1zg2 h ARG 66 Ca 0.05 -0.18 0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1zg2 h ARG 66 Cb 0.18 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 1zg2 h ARG 66 CO -0.00 0.71 -0.16 2.35 -1.51 0.00 0.00 179.97 181.36 1zg2 h TRP 67 N 0.53 -0.40 0.47 2.20 7.01 -0.88 0.32 115.95 125.20 1zg2 h TRP 67 Ca 0.13 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 1zg2 h TRP 67 Cb 0.36 0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.61 1zg2 h TRP 67 CO 0.02 -0.23 -0.23 1.49 -2.79 0.00 0.00 178.44 176.71 1zg2 h GLU 68 N -0.23 -0.61 -0.99 2.65 4.81 -1.52 -2.04 114.58 116.66 1zg2 h GLU 68 Ca 0.07 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1zg2 h GLU 68 Cb 0.33 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.79 1zg2 h GLU 68 CO -0.19 -0.39 0.65 -0.92 -0.73 0.00 0.00 179.01 177.42 1zg2 h TYR 69 N -0.65 1.21 -0.05 0.92 3.20 -1.23 0.10 116.97 120.48 1zg2 h TYR 69 Ca -0.06 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 1zg2 h TYR 69 Cb 0.49 -0.40 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 1zg2 h TYR 69 CO -0.04 0.70 0.01 1.49 -1.64 0.00 0.00 178.16 178.69 1zg2 h GLU 70 N 1.25 0.07 -0.40 1.82 4.81 -0.29 -2.52 114.58 119.33 1zg2 h GLU 70 Ca 0.39 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1zg2 h GLU 70 Cb -0.00 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1zg2 h GLU 70 CO -0.12 0.26 0.22 0.28 -0.73 0.00 0.00 179.01 178.92 1zg2 h VAL 71 N -0.13 1.13 -0.76 0.32 2.07 -0.87 -1.22 116.25 116.79 1zg2 h VAL 71 Ca 0.01 -0.32 0.13 0.00 0.82 0.00 0.00 66.70 67.35 1zg2 h VAL 71 Cb 0.22 0.59 -0.09 0.00 -1.52 0.00 0.00 31.29 30.49 1zg2 h VAL 71 CO -0.00 0.14 0.35 0.11 0.02 0.00 0.00 177.57 178.18 1zg2 h LYS 72 N 0.55 0.51 -0.01 1.57 1.79 -0.40 -1.68 116.57 118.90 1zg2 h LYS 72 Ca 0.14 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1zg2 h LYS 72 Cb 0.02 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1zg2 h LYS 72 CO -0.02 0.34 -0.18 0.72 -1.08 0.00 0.00 179.45 179.22 1zg2 n HIS 73 N -4.93 0.00 -2.40 -1.35 8.25 -0.55 -4.89 115.22 109.34 1zg2 n HIS 73 Ca 0.14 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.19 1zg2 n HIS 73 Cb 0.38 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.37 1zg2 n HIS 73 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1zg2 s LEU 74 N -2.35 4.44 0.83 2.41 1.43 -0.64 -5.02 118.68 119.78 1zg2 s LEU 74 Ca 0.28 2.16 -0.12 0.00 -1.03 0.00 0.00 54.13 55.43 1zg2 s LEU 74 Cb 0.20 -3.60 0.09 0.00 0.03 0.00 0.00 46.19 42.91 1zg2 s LEU 74 CO 0.46 -0.38 1.12 -0.55 0.23 0.00 0.00 176.35 177.23 1zg2 s SER 75 N 0.33 4.24 0.25 2.29 0.15 -1.26 -4.79 113.70 114.90 1zg2 s SER 75 Ca 0.54 1.14 -0.04 0.00 0.70 0.00 0.00 55.95 58.28 1zg2 s SER 75 Cb -0.31 -1.81 0.48 0.00 -1.71 0.00 0.00 66.02 62.66 1zg2 s SER 75 CO 0.34 -2.11 1.68 0.08 1.20 0.00 0.00 173.24 174.44 1zg2 h ARG 76 N -1.19 0.26 0.00 5.44 0.11 -1.98 -0.53 114.38 116.49 1zg2 h ARG 76 Ca -0.48 -0.02 -0.10 0.00 0.10 0.00 0.00 59.98 59.49 1zg2 h ARG 76 Cb 1.29 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 1zg2 h ARG 76 CO 0.61 0.17 -0.45 -0.09 0.10 0.00 0.00 179.97 180.31 1zg2 h ARG 77 N 0.27 0.00 0.00 0.08 9.65 -1.98 -0.52 114.38 121.87 1zg2 h ARG 77 Ca 0.43 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 59.15 1zg2 h ARG 77 Cb 0.73 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.29 1zg2 h ARG 77 CO -0.52 0.45 -0.74 -0.22 2.80 0.00 0.00 179.97 181.75 1zg2 h LYS 78 N 0.00 0.00 -0.19 0.20 1.63 -1.51 0.19 116.57 116.89 1zg2 h LYS 78 Ca -0.00 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.61 1zg2 h LYS 78 Cb 0.89 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 1zg2 h LYS 78 CO 0.06 0.74 -0.63 0.87 -3.45 0.00 0.00 179.45 177.03 1zg2 h LYS 79 N 0.00 0.69 -0.53 1.90 1.57 -0.68 -0.25 116.57 119.27 1zg2 h LYS 79 Ca -0.01 -0.48 -0.09 0.00 -1.87 0.00 0.00 60.65 58.20 1zg2 h LYS 79 Cb 1.50 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.87 1zg2 h LYS 79 CO 0.10 1.10 -0.02 0.93 -0.57 0.00 0.00 179.45 180.99 1zg2 h GLU 80 N 0.51 0.92 -0.85 3.15 5.08 -0.95 -1.84 114.58 120.60 1zg2 h GLU 80 Ca -0.01 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1zg2 h GLU 80 Cb 1.22 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 1zg2 h GLU 80 CO 0.13 0.92 0.51 0.37 -1.00 0.00 0.00 179.01 179.94 1zg2 h GLN 81 N 0.85 1.15 -0.64 2.33 5.75 -0.44 -1.68 115.11 122.42 1zg2 h GLN 81 Ca 0.16 -0.10 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 1zg2 h GLN 81 Cb 0.52 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 1zg2 h GLN 81 CO 0.03 0.81 0.14 1.25 -2.65 0.00 0.00 178.83 178.40 1zg2 h LEU 82 N 1.16 0.96 -1.13 -2.39 6.46 -0.68 -1.14 115.31 118.56 1zg2 h LEU 82 Ca 0.30 -0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1zg2 h LEU 82 Cb -0.05 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.63 1zg2 h LEU 82 CO -0.06 0.94 0.00 0.58 -0.62 0.00 0.00 178.44 179.28 1zg2 h VAL 83 N 0.97 0.00 0.00 1.05 2.07 -0.96 -1.75 116.25 117.62 1zg2 h VAL 83 Ca 0.20 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1zg2 h VAL 83 Cb 0.37 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1zg2 h VAL 83 CO 0.00 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.39 1zg2 n SER 84 N -2.80 0.00 -1.66 0.57 7.64 -0.43 -0.71 113.62 116.24 1zg2 n SER 84 Ca 0.01 0.12 0.03 0.00 1.01 0.00 0.00 58.87 60.05 1zg2 n SER 84 Cb 0.29 -0.30 0.33 0.00 -1.01 0.00 0.00 64.21 63.53 1zg2 n SER 84 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1zg2 n LEU 85 N -1.30 5.35 -3.63 -3.43 7.99 -0.66 -4.92 117.00 116.41 1zg2 n LEU 85 Ca 0.06 -3.09 -0.14 0.00 -0.01 0.00 0.00 56.01 52.83 1zg2 n LEU 85 Cb 0.11 -0.67 -0.07 0.00 -0.11 0.00 0.00 43.42 42.67 1zg2 n LEU 85 CO 0.10 0.73 0.41 -0.75 -1.51 0.00 0.00 177.39 176.37 1zg2 s LYS 86 N -2.89 0.84 0.00 3.23 2.36 0.11 -4.95 119.74 118.44 1zg2 s LYS 86 Ca 0.52 0.98 0.00 0.00 -2.55 0.00 0.00 55.97 54.91 1zg2 s LYS 86 Cb 0.41 0.41 0.00 0.00 -1.05 0.00 0.00 37.83 37.60 1zg2 s LYS 86 CO 0.13 -0.10 0.00 0.41 1.55 0.00 0.00 175.35 177.33 1zg2 n GLY 87 N 2.66 1.97 7.00 5.54 0.00 -1.26 -4.89 105.19 116.21 1zg2 n GLY 87 Ca -0.14 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1zg2 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zg2 n GLY 88 N 0.00 3.83 3.51 -0.02 0.00 -1.26 -4.51 105.19 106.73 1zg2 n GLY 88 Ca 0.00 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1zg2 n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1zg2 s PRO 89 N 0.00 3.27 -0.14 1.61 0.04 -1.26 -4.79 135.00 133.73 1zg2 s PRO 89 Ca 0.00 -0.40 0.18 0.00 0.04 0.00 0.00 61.00 60.82 1zg2 s PRO 89 Cb 0.00 -4.10 0.44 0.00 0.04 0.00 0.00 34.50 30.88 1zg2 s PRO 89 CO 0.00 -1.60 1.18 0.66 0.04 0.00 0.00 177.00 177.29 1zg2 n TYR 90 N 7.62 0.46 -2.58 0.56 4.01 -1.26 -5.11 117.16 120.86 1zg2 n TYR 90 Ca 0.00 -1.27 -0.36 0.00 -0.16 0.00 0.00 57.90 56.12 1zg2 n TYR 90 Cb 0.47 -0.22 -0.04 0.00 -0.31 0.00 0.00 39.34 39.24 1zg2 n TYR 90 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1zg2 s GLU 91 N -2.08 4.13 0.00 -0.72 0.41 -1.26 -1.53 118.70 117.65 1zg2 s GLU 91 Ca 0.37 1.43 0.00 0.00 -0.41 0.00 0.00 54.97 56.36 1zg2 s GLU 91 Cb 0.38 -2.44 0.00 0.00 -1.78 0.00 0.00 34.13 30.29 1zg2 s GLU 91 CO -0.09 -0.16 0.00 -1.71 -0.49 0.00 0.00 175.26 172.81 1zg2 n ASN 92 N -0.25 0.00 -1.03 -0.19 5.15 -1.26 -4.34 115.26 113.35 1zg2 n ASN 92 Ca 0.06 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.07 1zg2 n ASN 92 Cb 0.51 0.00 0.18 0.00 -0.53 0.00 0.00 39.78 39.93 1zg2 n ASN 92 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1zg2 n THR 93 N 0.00 1.08 0.07 -0.44 5.66 -1.25 -4.13 114.28 115.28 1zg2 n THR 93 Ca 0.00 -0.60 -0.03 0.00 -3.05 0.00 0.00 64.05 60.37 1zg2 n THR 93 Cb 0.00 -0.26 -0.01 0.00 -1.55 0.00 0.00 70.33 68.50 1zg2 n THR 93 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1zg2 h THR 94 N 1.86 0.00 0.00 1.09 2.02 -1.47 -3.44 112.91 112.97 1zg2 h THR 94 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1zg2 h THR 94 Cb 1.02 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1zg2 h THR 94 CO 0.18 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.24 1zg2 n LYS 95 N -2.57 0.00 -2.87 6.66 4.81 -1.26 -4.96 118.16 117.97 1zg2 n LYS 95 Ca -0.02 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.21 1zg2 n LYS 95 Cb 0.07 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.14 1zg2 n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1zg2 n LEU 96 N 0.00 -2.19 0.00 3.14 4.77 -1.26 -4.92 117.00 116.54 1zg2 n LEU 96 Ca 0.00 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1zg2 n LEU 96 Cb 0.42 -2.77 0.00 0.00 -2.33 0.00 0.00 43.42 38.74 1zg2 n LEU 96 CO 0.00 0.08 0.00 -0.24 -1.33 0.00 0.00 177.39 175.90 1zg2 n SER 97 N -2.30 0.00 -3.86 -1.43 2.88 -1.26 -4.97 113.62 102.69 1zg2 n SER 97 Ca -0.13 0.16 -0.26 0.00 -1.33 0.00 0.00 58.87 57.30 1zg2 n SER 97 Cb 0.62 -0.38 0.02 0.00 -0.75 0.00 0.00 64.21 63.72 1zg2 n SER 97 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1zg2 n THR 98 N -2.01 -3.16 0.80 2.46 -1.04 -1.26 -5.21 114.28 104.85 1zg2 n THR 98 Ca 0.00 -0.30 0.06 0.00 -2.04 0.00 0.00 64.05 61.77 1zg2 n THR 98 Cb 0.00 -3.11 0.38 0.00 -1.82 0.00 0.00 70.33 65.77 1zg2 n THR 98 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84