#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 7.19 -0.31 7.83 4.22 -1.26 -4.83 114.94 127.78 1zg2 s ASN 7 Ca 0.00 1.46 -0.06 0.00 -2.14 0.00 0.00 52.86 52.13 1zg2 s ASN 7 Cb 0.00 -2.54 0.02 0.00 1.28 0.00 0.00 41.25 40.02 1zg2 s ASN 7 CO 0.00 -0.47 0.07 -1.00 -2.04 0.00 0.00 177.10 173.66 1zg2 s HIS 8 N 2.18 3.19 -0.06 1.54 3.76 -1.15 -3.55 115.29 121.20 1zg2 s HIS 8 Ca 0.46 -1.27 0.02 0.00 -0.15 0.00 0.00 55.06 54.12 1zg2 s HIS 8 Cb -0.18 -2.23 -0.03 0.00 1.11 0.00 0.00 32.58 31.25 1zg2 s HIS 8 CO 0.16 -0.67 -0.08 0.71 -0.85 0.00 0.00 174.74 174.01 1zg2 s TYR 9 N 1.43 2.88 -0.33 1.40 2.02 0.11 -0.90 117.35 123.96 1zg2 s TYR 9 Ca 0.00 -0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.70 1zg2 s TYR 9 Cb -0.18 -1.68 0.10 0.00 -0.40 0.00 0.00 41.96 39.80 1zg2 s TYR 9 CO 0.02 0.31 0.08 0.08 -1.57 0.00 0.00 175.55 174.46 1zg2 s VAL 10 N -0.81 1.53 0.03 0.71 1.01 0.13 -0.01 120.40 122.99 1zg2 s VAL 10 Ca 0.13 -1.86 -0.04 0.00 0.00 0.00 0.00 61.98 60.20 1zg2 s VAL 10 Cb -0.11 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1zg2 s VAL 10 CO 0.02 -0.65 0.24 -0.72 0.00 0.00 0.00 175.10 174.00 1zg2 s TYR 11 N 1.26 3.55 -0.21 5.22 -0.85 -0.64 0.05 117.35 125.72 1zg2 s TYR 11 Ca 0.11 0.45 0.01 0.00 -0.52 0.00 0.00 57.07 57.11 1zg2 s TYR 11 Cb -0.18 -1.90 0.04 0.00 0.38 0.00 0.00 41.96 40.30 1zg2 s TYR 11 CO -0.17 0.60 -0.11 -1.50 -1.52 0.00 0.00 175.55 172.85 1zg2 s ILE 12 N -1.39 1.76 -0.13 -3.49 2.07 -0.17 0.37 121.20 120.23 1zg2 s ILE 12 Ca 0.30 -1.11 -0.04 0.00 -1.41 0.00 0.00 60.65 58.39 1zg2 s ILE 12 Cb -0.13 -1.82 -0.03 0.00 0.13 0.00 0.00 42.46 40.60 1zg2 s ILE 12 CO 0.20 0.16 0.02 -0.76 -1.91 0.00 0.00 174.94 172.66 1zg2 s LEU 13 N 1.34 3.66 -0.12 8.50 1.43 -0.14 -1.88 118.68 131.47 1zg2 s LEU 13 Ca -0.02 0.11 -0.23 0.00 -1.03 0.00 0.00 54.13 52.96 1zg2 s LEU 13 Cb -0.17 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1zg2 s LEU 13 CO -0.08 0.29 0.69 -0.70 0.23 0.00 0.00 176.35 176.77 1zg2 s GLU 14 N -0.33 4.35 0.95 1.70 2.12 0.12 0.68 118.70 128.28 1zg2 s GLU 14 Ca 0.07 0.80 -0.15 0.00 0.36 0.00 0.00 54.97 56.05 1zg2 s GLU 14 Cb -0.12 -3.50 0.19 0.00 0.26 0.00 0.00 34.13 30.96 1zg2 s GLU 14 CO 0.02 -0.07 1.31 0.00 -0.54 0.00 0.00 175.26 175.98 1zg2 h LYS 16 N -1.59 0.00 -6.37 0.00 3.64 -1.90 -3.43 116.57 106.93 1zg2 h LYS 16 Ca -0.44 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.46 1zg2 h LYS 16 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1zg2 h LYS 16 CO 0.39 0.05 -0.24 0.16 -2.27 0.00 0.00 179.45 177.54 1zg2 s ASP 17 N -6.32 5.22 0.00 4.20 -4.77 -1.26 -4.99 116.67 108.74 1zg2 s ASP 17 Ca -0.04 -0.73 -0.04 0.00 -3.30 0.00 0.00 52.55 48.44 1zg2 s ASP 17 Cb 0.15 -0.22 -0.17 0.00 -1.09 0.00 0.00 42.92 41.59 1zg2 s ASP 17 CO 0.58 -0.95 2.90 0.61 0.70 0.00 0.00 175.17 179.01 1zg2 n GLY 18 N -1.88 2.68 3.26 2.12 0.00 -1.26 -4.78 105.19 105.33 1zg2 n GLY 18 Ca 0.08 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 1zg2 n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zg2 s SER 19 N 2.06 3.03 -0.22 1.61 1.04 -1.26 -5.04 113.70 114.93 1zg2 s SER 19 Ca 0.43 -0.51 -0.12 0.00 0.48 0.00 0.00 55.95 56.23 1zg2 s SER 19 Cb 0.20 -0.84 -0.05 0.00 0.10 0.00 0.00 66.02 65.44 1zg2 s SER 19 CO 0.00 0.24 0.24 0.26 0.98 0.00 0.00 173.24 174.96 1zg2 s TRP 20 N -0.15 3.36 -0.46 5.02 0.51 -1.26 -1.83 118.94 124.13 1zg2 s TRP 20 Ca -0.04 0.39 -0.19 0.00 -2.12 0.00 0.00 56.10 54.14 1zg2 s TRP 20 Cb -0.14 -2.34 0.03 0.00 -0.81 0.00 0.00 33.47 30.22 1zg2 s TRP 20 CO 0.04 0.09 0.59 -0.47 -0.51 0.00 0.00 176.95 176.69 1zg2 s TYR 21 N 0.99 3.08 -0.55 -1.98 5.04 0.21 -4.88 117.35 119.26 1zg2 s TYR 21 Ca 0.12 -0.28 -0.26 0.00 -2.44 0.00 0.00 57.07 54.20 1zg2 s TYR 21 Cb -0.14 -3.31 0.03 0.00 0.35 0.00 0.00 41.96 38.90 1zg2 s TYR 21 CO 0.05 -0.89 1.07 0.99 -1.34 0.00 0.00 175.55 175.42 1zg2 s THR 22 N 2.62 4.21 -0.43 4.34 2.01 -1.26 -0.97 115.64 126.16 1zg2 s THR 22 Ca 0.18 0.65 -0.16 0.00 0.31 0.00 0.00 61.69 62.67 1zg2 s THR 22 Cb -0.16 -4.62 0.04 0.00 0.01 0.00 0.00 72.50 67.76 1zg2 s THR 22 CO 0.15 -1.20 0.36 -0.83 -0.69 0.00 0.00 174.62 172.41 1zg2 s GLY 23 N 2.84 2.00 -0.59 4.40 0.00 0.16 -4.98 107.32 111.14 1zg2 s GLY 23 Ca 0.37 -1.80 -0.20 0.00 0.00 0.00 0.00 44.72 43.09 1zg2 s GLY 23 CO 0.23 1.01 0.75 -0.47 0.00 0.00 0.00 173.10 174.62 1zg2 s TYR 24 N 1.76 2.93 -0.24 1.90 5.04 -1.26 -1.63 117.35 125.86 1zg2 s TYR 24 Ca 0.06 -0.77 -0.08 0.00 -2.44 0.00 0.00 57.07 53.84 1zg2 s TYR 24 Cb -0.20 -3.99 -0.03 0.00 0.35 0.00 0.00 41.96 38.09 1zg2 s TYR 24 CO 0.10 -1.32 0.08 0.99 -1.34 0.00 0.00 175.55 174.06 1zg2 s THR 25 N 3.00 4.55 -0.59 4.34 2.01 0.99 -4.98 115.64 124.96 1zg2 s THR 25 Ca 0.15 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.11 1zg2 s THR 25 Cb -0.21 -3.11 0.26 0.00 0.01 0.00 0.00 72.50 69.44 1zg2 s THR 25 CO 0.08 0.36 0.73 0.41 -0.69 0.00 0.00 174.62 175.52 1zg2 n THR 26 N 4.59 1.92 -3.67 -0.82 -1.04 -1.26 0.08 114.28 114.09 1zg2 n THR 26 Ca -0.16 -5.07 -0.29 0.00 -2.04 0.00 0.00 64.05 56.49 1zg2 n THR 26 Cb 0.52 -1.97 -0.15 0.00 -1.82 0.00 0.00 70.33 66.91 1zg2 n THR 26 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1zg2 s ASP 27 N -2.39 3.85 0.50 8.00 1.11 -1.23 -4.87 116.67 121.64 1zg2 s ASP 27 Ca 0.40 -1.51 0.19 0.00 0.18 0.00 0.00 52.55 51.82 1zg2 s ASP 27 Cb 0.17 -0.69 1.27 0.00 1.07 0.00 0.00 42.92 44.74 1zg2 s ASP 27 CO -0.04 -0.42 2.08 1.62 1.18 0.00 0.00 175.17 179.59 1zg2 h VAL 28 N 6.47 0.91 0.55 -1.27 3.04 -1.96 -2.94 116.25 121.04 1zg2 h VAL 28 Ca -0.16 -0.36 -0.02 0.00 -1.01 0.00 0.00 66.70 65.15 1zg2 h VAL 28 Cb 1.02 1.20 -0.02 0.00 -2.01 0.00 0.00 31.29 31.48 1zg2 h VAL 28 CO 0.46 0.10 -0.45 -0.78 -1.01 0.00 0.00 177.57 175.89 1zg2 h ASP 29 N 0.00 -1.19 -0.71 3.17 1.82 -1.99 0.16 116.42 117.68 1zg2 h ASP 29 Ca -0.00 0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.72 1zg2 h ASP 29 Cb 0.20 0.38 -0.04 0.00 0.68 0.00 0.00 39.33 40.55 1zg2 h ASP 29 CO 0.01 -0.63 0.43 -0.09 -1.61 0.00 0.00 179.24 177.35 1zg2 h ARG 30 N -0.97 0.97 0.50 0.28 2.43 -1.95 -2.06 114.38 113.58 1zg2 h ARG 30 Ca -0.06 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1zg2 h ARG 30 Cb 0.83 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1zg2 h ARG 30 CO -0.01 0.69 -0.24 -0.09 -1.51 0.00 0.00 179.97 178.81 1zg2 h ARG 31 N 0.99 -0.65 -0.55 0.20 9.65 -1.31 -2.87 114.38 119.83 1zg2 h ARG 31 Ca 0.26 0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.17 1zg2 h ARG 31 Cb -0.03 0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.67 1zg2 h ARG 31 CO -0.05 -0.34 0.29 0.97 2.80 0.00 0.00 179.97 183.64 1zg2 h ILE 32 N -0.95 1.18 0.92 1.20 2.10 -0.58 -0.36 117.51 121.01 1zg2 h ILE 32 Ca -0.07 -0.46 -0.05 0.00 1.08 0.00 0.00 64.86 65.36 1zg2 h ILE 32 Cb 0.60 0.45 0.01 0.00 -1.09 0.00 0.00 36.82 36.79 1zg2 h ILE 32 CO 0.11 0.20 -0.44 0.11 -1.08 0.00 0.00 178.15 177.05 1zg2 h LYS 33 N 0.77 -1.19 0.00 2.19 1.57 -1.40 -0.14 116.57 118.37 1zg2 h LYS 33 Ca 0.20 0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1zg2 h LYS 33 Cb 0.05 0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1zg2 h LYS 33 CO -0.03 -0.80 -0.10 -0.22 -0.57 0.00 0.00 179.45 177.74 1zg2 h LYS 34 N -1.29 0.00 0.96 3.15 3.64 -1.41 0.16 116.57 121.77 1zg2 h LYS 34 Ca -0.13 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 1zg2 h LYS 34 Cb 0.95 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1zg2 h LYS 34 CO 0.21 0.10 -0.47 1.25 -2.27 0.00 0.00 179.45 178.27 1zg2 h HIS 35 N 0.00 -1.21 0.79 1.91 2.76 -0.75 0.49 115.15 119.14 1zg2 h HIS 35 Ca -0.00 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 1zg2 h HIS 35 Cb 0.21 0.40 0.01 0.00 1.55 0.00 0.00 27.41 29.58 1zg2 h HIS 35 CO 0.00 -0.75 -0.38 0.00 -1.30 0.00 0.00 177.93 175.50 1zg2 h ALA 36 N -1.39 -1.06 0.03 5.26 0.00 -0.73 -3.39 119.26 117.97 1zg2 h ALA 36 Ca -0.13 -0.24 -0.34 0.00 0.00 0.00 0.00 54.91 54.20 1zg2 h ALA 36 Cb 0.99 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1zg2 h ALA 36 CO 0.21 -1.00 -2.06 0.43 0.00 0.00 0.00 179.25 176.83 1zg2 n SER 37 N -5.49 1.06 0.14 0.00 7.64 0.53 -4.44 113.62 113.06 1zg2 n SER 37 Ca -0.14 0.19 0.02 0.00 1.01 0.00 0.00 58.87 59.95 1zg2 n SER 37 Cb 0.42 0.00 0.38 0.00 -1.01 0.00 0.00 64.21 64.01 1zg2 n SER 37 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1zg2 h GLY 38 N 2.93 0.19 0.14 0.23 0.00 -0.86 -3.24 103.07 102.46 1zg2 h GLY 38 Ca -0.43 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 46.79 1zg2 h GLY 38 CO 0.04 0.11 -0.38 0.50 0.00 0.00 0.00 176.54 176.82 1zg2 h LYS 39 N 0.16 -0.56 -1.52 4.80 1.57 -1.71 -2.90 116.57 116.42 1zg2 h LYS 39 Ca 0.03 0.04 -0.71 0.00 -1.87 0.00 0.00 60.65 58.14 1zg2 h LYS 39 Cb 0.45 0.13 -0.29 0.00 0.08 0.00 0.00 32.23 32.59 1zg2 h LYS 39 CO 0.03 -0.38 0.80 0.41 -0.57 0.00 0.00 179.45 179.74 1zg2 n GLY 40 N -1.36 5.73 0.29 3.86 0.00 -1.23 -4.64 105.19 107.85 1zg2 n GLY 40 Ca -0.07 -2.44 0.00 0.00 0.00 0.00 0.00 46.02 43.51 1zg2 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zg2 n ALA 41 N -0.69 1.13 -3.28 4.61 0.00 -1.16 -5.08 120.51 116.03 1zg2 n ALA 41 Ca 0.56 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.90 1zg2 n ALA 41 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1zg2 n ALA 41 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1zg2 n LYS 42 N -1.22 -1.54 -0.05 0.00 4.81 -1.10 -4.92 118.16 114.13 1zg2 n LYS 42 Ca 0.00 1.34 -0.16 0.00 -0.87 0.00 0.00 58.31 58.62 1zg2 n LYS 42 Cb 0.00 -4.49 -0.06 0.00 0.02 0.00 0.00 35.03 30.50 1zg2 n LYS 42 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1zg2 h TYR 43 N 0.50 0.93 -3.57 5.64 3.20 -1.96 -3.41 116.97 118.30 1zg2 h TYR 43 Ca -0.23 -0.37 -0.58 0.00 3.14 0.00 0.00 58.73 60.70 1zg2 h TYR 43 Cb 1.15 -0.16 -0.08 0.00 1.54 0.00 0.00 36.73 39.18 1zg2 h TYR 43 CO 0.19 1.17 0.80 -0.08 -1.64 0.00 0.00 178.16 178.59 1zg2 s THR 44 N -3.94 4.38 -0.53 1.81 -1.32 -1.26 -4.95 115.64 109.84 1zg2 s THR 44 Ca -0.12 1.26 0.06 0.00 -1.21 0.00 0.00 61.69 61.68 1zg2 s THR 44 Cb 0.08 -4.49 0.20 0.00 -1.51 0.00 0.00 72.50 66.79 1zg2 s THR 44 CO 0.86 -0.78 0.50 0.54 -2.21 0.00 0.00 174.62 173.54 1zg2 n ARG 45 N 7.32 1.18 -0.05 7.08 1.74 -1.26 -4.95 116.66 127.73 1zg2 n ARG 45 Ca 0.10 -3.81 -0.15 0.00 -0.77 0.00 0.00 57.85 53.21 1zg2 n ARG 45 Cb 0.48 -1.84 -0.07 0.00 -1.02 0.00 0.00 32.46 30.01 1zg2 n ARG 45 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1zg2 h GLY 46 N 4.91 0.66 -0.43 -0.13 0.00 -1.99 -3.47 103.07 102.64 1zg2 h GLY 46 Ca 0.18 -0.84 -0.18 0.00 0.00 0.00 0.00 47.33 46.49 1zg2 h GLY 46 CO 0.57 0.75 -0.17 -2.13 0.00 0.00 0.00 176.54 175.57 1zg2 n ARG 47 N -4.22 -0.97 0.00 4.80 3.00 -1.26 -4.81 116.66 113.20 1zg2 n ARG 47 Ca -0.07 0.76 0.00 0.00 -0.00 0.00 0.00 57.85 58.54 1zg2 n ARG 47 Cb 0.57 -4.75 0.00 0.00 0.00 0.00 0.00 32.46 28.28 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 -1.19 0.65 0.59 5.14 0.00 -1.26 -4.91 105.19 104.20 1zg2 n GLY 48 Ca -0.09 -1.52 0.10 0.00 0.00 0.00 0.00 46.02 44.51 1zg2 n GLY 48 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1zg2 n PRO 49 N -1.41 1.77 -2.64 1.61 -0.04 -1.26 -5.04 135.00 127.99 1zg2 n PRO 49 Ca 0.00 -1.16 -0.43 0.00 -0.04 0.00 0.00 63.50 61.87 1zg2 n PRO 49 Cb 0.00 -1.38 -0.02 0.00 -0.04 0.00 0.00 33.50 32.05 1zg2 n PRO 49 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1zg2 s PHE 50 N -1.75 3.41 -0.11 0.54 0.40 -1.26 -3.79 117.98 115.42 1zg2 s PHE 50 Ca 0.31 1.49 0.02 0.00 -0.60 0.00 0.00 56.93 58.16 1zg2 s PHE 50 Cb 0.17 -3.25 -0.01 0.00 0.51 0.00 0.00 43.02 40.44 1zg2 s PHE 50 CO 0.25 -0.49 -0.20 1.03 0.70 0.00 0.00 175.22 176.51 1zg2 s ARG 51 N 2.30 3.18 -0.04 0.44 0.52 0.18 -4.91 118.95 120.63 1zg2 s ARG 51 Ca 0.49 -0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 54.60 1zg2 s ARG 51 Cb -0.19 -2.43 -0.05 0.00 0.52 0.00 0.00 34.95 32.80 1zg2 s ARG 51 CO 0.16 0.18 1.48 -1.17 0.02 0.00 0.00 175.30 175.98 1zg2 s LEU 52 N 0.36 4.30 -0.13 2.53 2.96 -1.26 0.14 118.68 127.58 1zg2 s LEU 52 Ca -0.16 2.12 -0.10 0.00 -0.22 0.00 0.00 54.13 55.78 1zg2 s LEU 52 Cb -0.17 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 1zg2 s LEU 52 CO 0.07 -0.81 -0.19 0.52 -1.32 0.00 0.00 176.35 174.63 1zg2 n VAL 53 N 5.04 1.27 -3.95 1.68 0.31 -0.79 -4.91 118.33 116.98 1zg2 n VAL 53 Ca 0.15 0.24 -0.09 0.00 -0.01 0.00 0.00 64.34 64.62 1zg2 n VAL 53 Cb 0.43 -2.29 -0.06 0.00 -0.91 0.00 0.00 33.84 31.02 1zg2 n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1zg2 s ALA 54 N -2.79 -0.22 -0.16 3.52 0.00 -1.20 -5.01 121.76 115.91 1zg2 s ALA 54 Ca -0.15 -0.81 -0.09 0.00 0.00 0.00 0.00 51.96 50.91 1zg2 s ALA 54 Cb 0.02 0.99 0.06 0.00 0.00 0.00 0.00 23.12 24.19 1zg2 s ALA 54 CO 0.23 -0.77 0.38 0.99 0.00 0.00 0.00 175.76 176.58 1zg2 s THR 55 N -3.99 -0.03 0.23 0.00 2.01 -1.26 -1.00 115.64 111.61 1zg2 s THR 55 Ca 0.20 0.10 0.11 0.00 0.31 0.00 0.00 61.69 62.41 1zg2 s THR 55 Cb 0.01 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.91 1zg2 s THR 55 CO 0.05 0.04 -0.18 0.26 -0.69 0.00 0.00 174.62 174.09 1zg2 s TRP 56 N 1.35 2.38 -0.02 4.92 0.51 0.11 -4.98 118.94 123.20 1zg2 s TRP 56 Ca -0.09 -0.32 0.01 0.00 -2.12 0.00 0.00 56.10 53.57 1zg2 s TRP 56 Cb -0.09 -1.11 0.02 0.00 -0.81 0.00 0.00 33.47 31.49 1zg2 s TRP 56 CO -0.12 0.60 -0.00 0.00 -0.51 0.00 0.00 176.95 176.92 1zg2 s ALA 57 N -2.06 0.28 -0.07 0.98 0.00 -1.26 0.20 121.76 119.83 1zg2 s ALA 57 Ca 0.26 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1zg2 s ALA 57 Cb -0.07 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1zg2 s ALA 57 CO 0.13 -0.04 -0.04 -0.06 0.00 0.00 0.00 175.76 175.75 1zg2 s PHE 58 N 0.75 0.90 -0.91 0.00 0.08 -0.08 -5.00 117.98 113.72 1zg2 s PHE 58 Ca -0.07 -0.31 0.27 0.00 0.12 0.00 0.00 56.93 56.93 1zg2 s PHE 58 Cb -0.11 -0.84 1.06 0.00 -0.57 0.00 0.00 43.02 42.57 1zg2 s PHE 58 CO -0.01 -0.30 1.84 -2.30 -0.10 0.00 0.00 175.22 174.35 1zg2 n PRO 59 N 4.52 0.07 -3.33 0.24 -0.02 -1.26 -2.92 135.00 132.30 1zg2 n PRO 59 Ca -0.17 0.10 -0.40 0.00 -2.02 0.00 0.00 63.50 61.01 1zg2 n PRO 59 Cb 0.50 -1.59 -0.09 0.00 -0.02 0.00 0.00 33.50 32.31 1zg2 n PRO 59 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1zg2 s SER 60 N -3.43 6.30 0.11 2.55 0.01 -1.26 -4.89 113.70 113.09 1zg2 s SER 60 Ca 0.12 0.24 -0.21 0.00 1.31 0.00 0.00 55.95 57.41 1zg2 s SER 60 Cb 0.16 -2.24 -0.09 0.00 0.21 0.00 0.00 66.02 64.06 1zg2 s SER 60 CO 0.51 -0.27 1.75 0.50 0.41 0.00 0.00 173.24 176.14 1zg2 h LYS 61 N 8.22 0.19 -0.43 12.44 3.64 -1.88 -1.35 116.57 137.40 1zg2 h LYS 61 Ca -0.30 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.01 1zg2 h LYS 61 Cb 1.15 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1zg2 h LYS 61 CO 0.69 0.14 0.05 1.49 -2.27 0.00 0.00 179.45 179.54 1zg2 h GLU 62 N 0.19 0.73 -0.06 1.90 4.81 -1.99 -1.32 114.58 118.83 1zg2 h GLU 62 Ca 0.05 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1zg2 h GLU 62 Cb -0.01 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 1zg2 h GLU 62 CO -0.01 0.78 0.03 1.49 -0.73 0.00 0.00 179.01 180.57 1zg2 h GLU 63 N 0.59 0.09 -0.21 1.92 4.81 -1.96 -1.61 114.58 118.20 1zg2 h GLU 63 Ca 0.13 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1zg2 h GLU 63 Cb 0.41 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1zg2 h GLU 63 CO 0.01 0.19 -0.15 0.00 -0.73 0.00 0.00 179.01 178.34 1zg2 h ALA 64 N 0.90 1.36 -0.24 2.92 0.00 -1.16 0.83 119.26 123.86 1zg2 h ALA 64 Ca 0.02 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1zg2 h ALA 64 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1zg2 h ALA 64 CO -0.00 0.44 -0.16 1.98 0.00 0.00 0.00 179.25 181.51 1zg2 h MET 65 N 0.33 0.53 -0.45 0.00 1.85 -1.00 -0.14 114.93 116.05 1zg2 h MET 65 Ca 0.06 -0.25 -0.10 0.00 -0.61 0.00 0.00 59.70 58.81 1zg2 h MET 65 Cb 0.46 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.47 1zg2 h MET 65 CO 0.03 0.81 -0.12 0.00 -0.40 0.00 0.00 176.91 177.23 1zg2 h ARG 66 N 0.23 0.82 0.98 0.39 3.08 -1.02 -2.64 114.38 116.23 1zg2 h ARG 66 Ca 0.05 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.77 1zg2 h ARG 66 Cb 0.68 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.68 1zg2 h ARG 66 CO 0.04 0.90 -0.48 2.35 -1.07 0.00 0.00 179.97 181.71 1zg2 h TRP 67 N 0.74 -1.26 -0.62 3.04 2.91 -0.70 -1.92 115.95 118.14 1zg2 h TRP 67 Ca 0.12 -0.03 0.13 0.00 1.13 0.00 0.00 58.89 60.24 1zg2 h TRP 67 Cb 0.62 0.42 -0.11 0.00 -0.51 0.00 0.00 29.16 29.58 1zg2 h TRP 67 CO 0.03 -0.77 -0.05 1.49 -1.03 0.00 0.00 178.44 178.11 1zg2 h GLU 68 N -1.33 0.07 -0.80 2.65 4.81 -1.04 0.20 114.58 119.14 1zg2 h GLU 68 Ca -0.13 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1zg2 h GLU 68 Cb 1.03 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.32 1zg2 h GLU 68 CO 0.21 0.05 0.44 -0.92 -0.73 0.00 0.00 179.01 178.06 1zg2 h TYR 69 N 0.07 0.80 -0.85 0.92 3.20 -1.41 -0.83 116.97 118.87 1zg2 h TYR 69 Ca 0.32 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.19 1zg2 h TYR 69 Cb 0.51 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 1zg2 h TYR 69 CO -0.42 0.32 0.43 0.93 -1.64 0.00 0.00 178.16 177.79 1zg2 h GLU 70 N 0.75 1.21 -0.61 1.82 4.39 -0.18 -2.39 114.58 119.57 1zg2 h GLU 70 Ca 0.38 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.94 1zg2 h GLU 70 Cb 0.36 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 1zg2 h GLU 70 CO -0.25 0.91 0.41 0.28 -1.16 0.00 0.00 179.01 179.20 1zg2 h VAL 71 N 1.20 1.12 0.00 3.13 2.07 0.09 0.26 116.25 124.12 1zg2 h VAL 71 Ca 0.30 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 1zg2 h VAL 71 Cb 0.08 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1zg2 h VAL 71 CO -0.04 0.14 -0.41 0.11 0.02 0.00 0.00 177.57 177.39 1zg2 h LYS 72 N 0.78 0.00 0.03 1.57 1.57 -0.92 -2.94 116.57 116.66 1zg2 h LYS 72 Ca 0.24 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.78 1zg2 h LYS 72 Cb -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1zg2 h LYS 72 CO -0.06 0.41 -1.14 0.45 -0.57 0.00 0.00 179.45 178.54 1zg2 h HIS 73 N 0.00 0.10 -1.72 -1.35 3.86 -0.42 -3.47 115.15 112.15 1zg2 h HIS 73 Ca -0.00 -0.07 -0.69 0.00 -1.16 0.00 0.00 60.37 58.44 1zg2 h HIS 73 Cb 0.84 -0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.33 1zg2 h HIS 73 CO 0.00 1.06 0.76 1.28 0.86 0.00 0.00 177.93 181.90 1zg2 n LEU 74 N -3.35 2.33 0.00 2.43 4.77 0.68 -4.98 117.00 118.88 1zg2 n LEU 74 Ca -0.04 1.08 -0.14 0.00 -0.03 0.00 0.00 56.01 56.88 1zg2 n LEU 74 Cb 0.97 -1.21 0.10 0.00 -2.33 0.00 0.00 43.42 40.95 1zg2 n LEU 74 CO 0.48 -0.58 0.36 -1.20 -1.33 0.00 0.00 177.39 175.12 1zg2 n SER 75 N 4.38 -0.61 -0.14 -1.43 7.64 -1.26 -4.72 113.62 117.47 1zg2 n SER 75 Ca 0.22 -1.05 -0.04 0.00 1.01 0.00 0.00 58.87 59.01 1zg2 n SER 75 Cb 0.19 -0.47 0.05 0.00 -1.01 0.00 0.00 64.21 62.96 1zg2 n SER 75 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1zg2 h ARG 76 N 0.00 0.33 -0.49 1.43 3.08 -2.00 -1.63 114.38 115.10 1zg2 h ARG 76 Ca -0.20 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.73 1zg2 h ARG 76 Cb 0.57 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1zg2 h ARG 76 CO 0.13 0.22 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.07 1zg2 h ARG 77 N 0.34 0.88 -0.55 0.04 2.43 -1.98 -0.77 114.38 114.77 1zg2 h ARG 77 Ca 0.21 -0.30 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 1zg2 h ARG 77 Cb 0.21 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1zg2 h ARG 77 CO -0.22 0.94 0.10 0.87 -1.51 0.00 0.00 179.97 180.15 1zg2 h LYS 78 N 0.80 0.91 -0.72 0.20 1.57 -1.78 0.57 116.57 118.12 1zg2 h LYS 78 Ca 0.13 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1zg2 h LYS 78 Cb 0.60 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1zg2 h LYS 78 CO 0.04 0.87 0.19 0.87 -0.57 0.00 0.00 179.45 180.85 1zg2 h LYS 79 N 0.80 1.13 -0.51 3.15 1.57 -1.08 -1.00 116.57 120.63 1zg2 h LYS 79 Ca 0.17 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 1zg2 h LYS 79 Cb 0.40 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1zg2 h LYS 79 CO 0.01 0.98 -0.08 1.49 -0.57 0.00 0.00 179.45 181.28 1zg2 h GLU 80 N 1.08 0.93 -0.63 3.15 4.81 -0.70 -2.20 114.58 121.02 1zg2 h GLU 80 Ca 0.23 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1zg2 h GLU 80 Cb 0.35 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1zg2 h GLU 80 CO -0.00 0.97 0.36 0.37 -0.73 0.00 0.00 179.01 179.97 1zg2 h GLN 81 N 0.84 0.85 -0.08 1.92 5.75 0.55 -0.02 115.11 124.93 1zg2 h GLN 81 Ca 0.14 -0.08 -0.11 0.00 -0.15 0.00 0.00 58.65 58.45 1zg2 h GLN 81 Cb 0.60 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 1zg2 h GLN 81 CO 0.04 0.62 -0.46 -0.07 -2.65 0.00 0.00 178.83 176.31 1zg2 h LEU 82 N 0.87 0.21 -0.64 -2.39 3.38 -0.76 0.92 115.31 116.89 1zg2 h LEU 82 Ca 0.22 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1zg2 h LEU 82 Cb 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1zg2 h LEU 82 CO -0.04 0.64 -0.50 0.58 0.09 0.00 0.00 178.44 179.21 1zg2 h VAL 83 N 0.16 1.33 0.00 1.22 2.07 -0.74 -1.94 116.25 118.35 1zg2 h VAL 83 Ca 0.01 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.80 1zg2 h VAL 83 Cb 0.87 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1zg2 h VAL 83 CO 0.07 0.53 0.00 -1.28 0.02 0.00 0.00 177.57 176.91 1zg2 h SER 84 N 0.36 0.00 0.04 0.57 0.87 -0.53 -2.35 113.55 112.51 1zg2 h SER 84 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1zg2 h SER 84 Cb 1.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1zg2 h SER 84 CO 0.09 0.00 -0.05 -0.11 -0.53 0.00 0.00 176.83 176.23 1zg2 n LEU 85 N -2.90 1.35 -4.71 2.23 7.94 0.27 -4.89 117.00 116.29 1zg2 n LEU 85 Ca 0.01 -0.43 -0.43 0.00 -1.11 0.00 0.00 56.01 54.05 1zg2 n LEU 85 Cb 0.32 -0.03 -0.02 0.00 0.53 0.00 0.00 43.42 44.23 1zg2 n LEU 85 CO 0.27 0.23 1.10 1.17 -1.11 0.00 0.00 177.39 179.05 1zg2 n LYS 86 N -0.03 2.37 -1.25 1.96 4.81 -0.89 -4.84 118.16 120.30 1zg2 n LYS 86 Ca 0.18 0.84 -0.36 0.00 -0.87 0.00 0.00 58.31 58.10 1zg2 n LYS 86 Cb 0.34 -2.55 -0.02 0.00 0.02 0.00 0.00 35.03 32.82 1zg2 n LYS 86 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1zg2 n GLY 87 N 1.86 3.77 7.00 3.14 0.00 -1.26 -4.90 105.19 114.81 1zg2 n GLY 87 Ca 0.09 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 3.89 3.20 0.23 -0.02 0.00 -1.26 -2.23 105.19 109.00 1zg2 n GLY 88 Ca 0.60 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 46.27 1zg2 n GLY 88 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1zg2 h PRO 89 N 0.00 0.76 0.00 1.61 0.11 -1.98 -3.46 132.00 129.04 1zg2 h PRO 89 Ca 0.00 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1zg2 h PRO 89 Cb 0.00 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.00 1zg2 h PRO 89 CO 0.00 0.71 0.00 0.98 -0.21 0.00 0.00 178.00 179.48 1zg2 n TYR 90 N -4.51 0.00 -4.20 0.65 9.36 -0.95 -5.08 117.16 112.43 1zg2 n TYR 90 Ca 0.01 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.08 1zg2 n TYR 90 Cb 0.19 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.82 1zg2 n TYR 90 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1zg2 s GLU 91 N 0.00 1.56 0.00 2.98 -6.30 -1.24 -4.90 118.70 110.79 1zg2 s GLU 91 Ca 0.00 -1.78 0.17 0.00 -2.50 0.00 0.00 54.97 50.86 1zg2 s GLU 91 Cb 0.00 0.33 0.86 0.00 0.00 0.00 0.00 34.13 35.32 1zg2 s GLU 91 CO 0.00 -0.58 1.51 -1.71 0.02 0.00 0.00 175.26 174.50 1zg2 n ASN 92 N -0.97 0.00 -2.95 -1.70 5.15 -1.26 -4.84 115.26 108.69 1zg2 n ASN 92 Ca 0.04 0.07 -0.11 0.00 -0.60 0.00 0.00 54.58 53.97 1zg2 n ASN 92 Cb 0.64 -0.30 0.01 0.00 -0.53 0.00 0.00 39.78 39.60 1zg2 n ASN 92 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1zg2 n THR 93 N -1.30 -9.84 -2.05 -0.44 -2.24 -1.26 -4.75 114.28 92.41 1zg2 n THR 93 Ca 0.08 0.90 -0.31 0.00 -2.27 0.00 0.00 64.05 62.45 1zg2 n THR 93 Cb 0.14 -6.52 -0.05 0.00 -2.10 0.00 0.00 70.33 61.79 1zg2 n THR 93 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1zg2 n THR 94 N -0.07 2.15 -0.35 4.28 -1.04 -1.26 -4.42 114.28 113.57 1zg2 n THR 94 Ca 0.07 -2.21 0.03 0.00 -2.04 0.00 0.00 64.05 59.89 1zg2 n THR 94 Cb 0.43 -2.20 0.04 0.00 -1.82 0.00 0.00 70.33 66.77 1zg2 n THR 94 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1zg2 n LYS 95 N 8.17 2.39 -0.47 -2.82 4.81 -1.26 -4.96 118.16 124.03 1zg2 n LYS 95 Ca 0.46 -1.72 0.00 0.00 -0.87 0.00 0.00 58.31 56.18 1zg2 n LYS 95 Cb 0.46 -1.10 0.00 0.00 0.02 0.00 0.00 35.03 34.41 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 -0.71 0.18 -0.02 3.14 4.77 -1.26 -4.81 117.00 118.29 1zg2 n LEU 96 Ca 0.04 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 1zg2 n LEU 96 Cb 0.37 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 41.04 1zg2 n LEU 96 CO 0.00 -0.09 0.30 0.77 -1.33 0.00 0.00 177.39 177.04 1zg2 h SER 97 N 0.00 -0.07 -3.11 -1.43 4.64 -1.93 -3.40 113.55 108.25 1zg2 h SER 97 Ca 0.00 -0.51 -0.65 0.00 -0.47 0.00 0.00 61.79 60.16 1zg2 h SER 97 Cb 0.00 0.02 -0.16 0.00 -0.31 0.00 0.00 62.40 61.95 1zg2 h SER 97 CO 0.00 0.64 0.30 0.42 -0.87 0.00 0.00 176.83 177.31 1zg2 s THR 98 N -2.52 4.63 -2.62 2.95 -4.23 -1.26 -5.19 115.64 107.40 1zg2 s THR 98 Ca -0.12 -0.27 0.27 0.00 -1.18 0.00 0.00 61.69 60.39 1zg2 s THR 98 Cb -0.01 -4.45 0.47 0.00 1.34 0.00 0.00 72.50 69.84 1zg2 s THR 98 CO 0.44 -1.03 1.63 0.41 -0.54 0.00 0.00 174.62 175.53