#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 6.22 -0.48 7.83 2.20 -1.26 -4.52 114.94 124.92 1zg2 s ASN 7 Ca 0.00 -0.42 -0.04 0.00 -0.94 0.00 0.00 52.86 51.46 1zg2 s ASN 7 Cb 0.00 -2.23 0.13 0.00 -2.00 0.00 0.00 41.25 37.15 1zg2 s ASN 7 CO 0.00 -0.51 0.30 -1.00 -2.94 0.00 0.00 177.10 172.95 1zg2 s HIS 8 N 2.19 3.52 -0.09 1.54 3.76 -1.09 -3.91 115.29 121.20 1zg2 s HIS 8 Ca 0.14 -2.40 -0.12 0.00 -0.15 0.00 0.00 55.06 52.52 1zg2 s HIS 8 Cb -0.16 -3.28 -0.05 0.00 1.11 0.00 0.00 32.58 30.20 1zg2 s HIS 8 CO 0.13 -0.94 0.30 0.71 -0.85 0.00 0.00 174.74 174.09 1zg2 s TYR 9 N 0.83 3.60 -0.40 1.40 2.02 0.40 -0.81 117.35 124.39 1zg2 s TYR 9 Ca 0.10 0.74 0.00 0.00 -0.37 0.00 0.00 57.07 57.55 1zg2 s TYR 9 Cb -0.22 -2.21 0.11 0.00 -0.40 0.00 0.00 41.96 39.23 1zg2 s TYR 9 CO -0.04 0.53 0.16 0.08 -1.57 0.00 0.00 175.55 174.72 1zg2 s VAL 10 N -0.54 2.86 -0.22 0.71 1.01 0.15 -1.07 120.40 123.29 1zg2 s VAL 10 Ca 0.19 -2.32 -0.10 0.00 0.00 0.00 0.00 61.98 59.75 1zg2 s VAL 10 Cb -0.14 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1zg2 s VAL 10 CO 0.08 -0.67 0.14 -0.72 0.00 0.00 0.00 175.10 173.92 1zg2 s TYR 11 N 0.87 3.35 -0.33 5.22 1.13 -0.81 -0.96 117.35 125.82 1zg2 s TYR 11 Ca 0.11 0.26 -0.07 0.00 -1.41 0.00 0.00 57.07 55.96 1zg2 s TYR 11 Cb -0.21 -2.21 0.03 0.00 -1.10 0.00 0.00 41.96 38.47 1zg2 s TYR 11 CO -0.05 0.17 0.11 -1.50 -2.51 0.00 0.00 175.55 171.76 1zg2 s ILE 12 N 0.72 3.87 -0.16 -3.49 2.07 -0.75 -0.20 121.20 123.26 1zg2 s ILE 12 Ca 0.07 -1.03 -0.09 0.00 -1.41 0.00 0.00 60.65 58.19 1zg2 s ILE 12 Cb -0.12 -3.15 -0.05 0.00 0.13 0.00 0.00 42.46 39.27 1zg2 s ILE 12 CO 0.01 -0.13 0.15 -0.76 -1.91 0.00 0.00 174.94 172.30 1zg2 s LEU 13 N 1.43 4.30 -0.11 8.50 1.43 0.35 -1.83 118.68 132.76 1zg2 s LEU 13 Ca -0.01 0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 53.33 1zg2 s LEU 13 Cb -0.19 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 1zg2 s LEU 13 CO 0.03 0.28 0.34 -0.70 0.23 0.00 0.00 176.35 176.53 1zg2 s GLU 14 N -0.30 4.09 0.86 1.70 2.12 0.11 0.64 118.70 127.93 1zg2 s GLU 14 Ca 0.12 0.22 -0.08 0.00 0.36 0.00 0.00 54.97 55.58 1zg2 s GLU 14 Cb -0.12 -3.35 0.18 0.00 0.26 0.00 0.00 34.13 31.10 1zg2 s GLU 14 CO 0.01 0.40 1.18 0.00 -0.54 0.00 0.00 175.26 176.31 1zg2 h LYS 16 N -1.14 0.11 -7.21 0.00 3.64 -1.90 -3.43 116.57 106.63 1zg2 h LYS 16 Ca -0.40 -0.01 -0.47 0.00 -1.27 0.00 0.00 60.65 58.50 1zg2 h LYS 16 Cb 1.24 -0.02 0.07 0.00 -0.41 0.00 0.00 32.23 33.11 1zg2 h LYS 16 CO 0.36 0.11 0.22 -0.51 -2.27 0.00 0.00 179.45 177.36 1zg2 s ASP 17 N -6.98 5.31 0.00 4.20 1.01 -1.26 -4.94 116.67 114.00 1zg2 s ASP 17 Ca -0.05 0.66 0.00 0.00 0.71 0.00 0.00 52.55 53.87 1zg2 s ASP 17 Cb 0.17 -1.52 0.00 0.00 1.01 0.00 0.00 42.92 42.58 1zg2 s ASP 17 CO 0.69 -1.27 1.66 0.61 0.21 0.00 0.00 175.17 177.07 1zg2 n GLY 18 N -2.74 2.25 3.22 0.21 0.00 -1.26 -4.76 105.19 102.12 1zg2 n GLY 18 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 1.79 3.22 0.00 1.61 1.04 -1.26 -5.04 113.70 115.06 1zg2 s SER 19 Ca 0.00 -0.54 -0.06 0.00 0.48 0.00 0.00 55.95 55.82 1zg2 s SER 19 Cb 0.00 -1.45 -0.05 0.00 0.10 0.00 0.00 66.02 64.62 1zg2 s SER 19 CO 0.00 0.13 0.26 0.26 0.98 0.00 0.00 173.24 174.87 1zg2 s TRP 20 N 0.50 3.58 -0.41 5.02 0.51 -1.26 -2.55 118.94 124.32 1zg2 s TRP 20 Ca -0.14 0.56 -0.07 0.00 -2.12 0.00 0.00 56.10 54.32 1zg2 s TRP 20 Cb -0.17 -1.98 0.09 0.00 -0.81 0.00 0.00 33.47 30.60 1zg2 s TRP 20 CO 0.05 0.62 0.24 -0.47 -0.51 0.00 0.00 176.95 176.88 1zg2 s TYR 21 N -1.29 3.39 -0.51 -1.98 5.04 0.21 -4.91 117.35 117.29 1zg2 s TYR 21 Ca 0.27 -1.78 -0.23 0.00 -2.44 0.00 0.00 57.07 52.89 1zg2 s TYR 21 Cb -0.13 -3.02 0.04 0.00 0.35 0.00 0.00 41.96 39.20 1zg2 s TYR 21 CO 0.16 -0.89 0.83 0.99 -1.34 0.00 0.00 175.55 175.30 1zg2 s THR 22 N 1.35 4.57 -0.30 4.34 2.01 -1.26 -0.49 115.64 125.85 1zg2 s THR 22 Ca 0.04 0.17 -0.10 0.00 0.31 0.00 0.00 61.69 62.11 1zg2 s THR 22 Cb -0.23 -4.42 -0.02 0.00 0.01 0.00 0.00 72.50 67.84 1zg2 s THR 22 CO 0.00 -0.93 0.15 -0.83 -0.69 0.00 0.00 174.62 172.33 1zg2 s GLY 23 N 2.59 1.87 -0.45 4.40 0.00 0.72 -4.98 107.32 111.46 1zg2 s GLY 23 Ca 0.27 -1.31 -0.18 0.00 0.00 0.00 0.00 44.72 43.50 1zg2 s GLY 23 CO 0.19 0.67 0.51 -0.47 0.00 0.00 0.00 173.10 173.99 1zg2 s TYR 24 N 1.64 3.13 -0.07 1.90 5.04 -1.26 -1.93 117.35 125.80 1zg2 s TYR 24 Ca 0.05 -0.47 0.05 0.00 -2.44 0.00 0.00 57.07 54.26 1zg2 s TYR 24 Cb -0.17 -3.16 -0.01 0.00 0.35 0.00 0.00 41.96 38.98 1zg2 s TYR 24 CO 0.07 -0.83 -0.23 -0.08 -1.34 0.00 0.00 175.55 173.14 1zg2 s THR 25 N 2.28 2.17 -0.54 4.34 -1.32 -0.23 -4.99 115.64 117.36 1zg2 s THR 25 Ca 0.13 -1.01 0.06 0.00 -1.21 0.00 0.00 61.69 59.66 1zg2 s THR 25 Cb -0.18 -1.81 0.23 0.00 -1.51 0.00 0.00 72.50 69.23 1zg2 s THR 25 CO 0.13 0.57 0.59 0.41 -2.21 0.00 0.00 174.62 174.11 1zg2 n THR 26 N 3.07 0.82 -3.64 5.08 -1.04 -1.25 -0.46 114.28 116.86 1zg2 n THR 26 Ca -0.18 -4.56 -0.29 0.00 -2.04 0.00 0.00 64.05 56.97 1zg2 n THR 26 Cb 0.52 -2.01 -0.15 0.00 -1.82 0.00 0.00 70.33 66.87 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 -1.63 3.80 0.16 8.00 1.11 -1.25 -4.95 116.67 121.91 1zg2 s ASP 27 Ca 0.36 -1.47 -0.14 0.00 0.18 0.00 0.00 52.55 51.48 1zg2 s ASP 27 Cb 0.12 -0.62 0.05 0.00 1.07 0.00 0.00 42.92 43.54 1zg2 s ASP 27 CO -0.09 -0.43 1.77 0.58 1.18 0.00 0.00 175.17 178.19 1zg2 h VAL 28 N 6.45 1.18 -0.59 -1.27 2.07 -1.97 -3.08 116.25 119.03 1zg2 h VAL 28 Ca -0.17 -0.45 0.12 0.00 0.82 0.00 0.00 66.70 67.02 1zg2 h VAL 28 Cb 1.01 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 31.22 1zg2 h VAL 28 CO 0.46 0.19 0.08 -0.78 0.02 0.00 0.00 177.57 177.53 1zg2 h ASP 29 N 0.69 -0.10 -0.20 0.57 3.58 -2.00 -2.57 116.42 116.40 1zg2 h ASP 29 Ca 0.18 0.12 0.05 0.00 0.42 0.00 0.00 57.03 57.80 1zg2 h ASP 29 Cb 0.05 0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.25 1zg2 h ASP 29 CO -0.03 -0.04 -0.10 -0.09 -2.88 0.00 0.00 179.24 176.10 1zg2 h ARG 30 N 0.20 -0.07 0.57 0.28 2.43 -1.95 0.15 114.38 115.98 1zg2 h ARG 30 Ca 0.31 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.46 1zg2 h ARG 30 Cb 0.48 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1zg2 h ARG 30 CO -0.44 -0.05 -0.27 0.00 -1.51 0.00 0.00 179.97 177.70 1zg2 h ARG 31 N -0.08 -0.73 -0.87 0.20 3.08 -1.50 -1.26 114.38 113.21 1zg2 h ARG 31 Ca 0.11 0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1zg2 h ARG 31 Cb 0.24 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 1zg2 h ARG 31 CO -0.25 -0.43 0.49 0.97 -1.07 0.00 0.00 179.97 179.68 1zg2 h ILE 32 N -0.93 1.25 -0.78 2.04 2.10 -1.46 -2.34 117.51 117.39 1zg2 h ILE 32 Ca -0.08 -0.60 -0.01 0.00 1.08 0.00 0.00 64.86 65.25 1zg2 h ILE 32 Cb 0.64 0.06 -0.04 0.00 -1.09 0.00 0.00 36.82 36.39 1zg2 h ILE 32 CO 0.13 0.28 0.43 0.50 -1.08 0.00 0.00 178.15 178.40 1zg2 h LYS 33 N 1.21 1.09 -0.48 2.19 3.64 -0.90 0.97 116.57 124.29 1zg2 h LYS 33 Ca 0.31 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1zg2 h LYS 33 Cb 0.01 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 1zg2 h LYS 33 CO -0.05 0.80 0.28 0.87 -2.27 0.00 0.00 179.45 179.08 1zg2 h LYS 34 N 1.08 0.64 0.02 1.90 1.79 -0.70 0.27 116.57 121.57 1zg2 h LYS 34 Ca 0.28 -0.05 -0.16 0.00 -2.18 0.00 0.00 60.65 58.54 1zg2 h LYS 34 Cb 0.03 -0.14 0.01 0.00 -1.58 0.00 0.00 32.23 30.55 1zg2 h LYS 34 CO -0.04 0.46 -0.62 1.25 -1.08 0.00 0.00 179.45 179.42 1zg2 h HIS 35 N 0.65 0.59 0.91 -1.35 2.76 -1.03 -1.11 115.15 116.58 1zg2 h HIS 35 Ca 0.17 -0.33 -0.04 0.00 -2.20 0.00 0.00 60.37 57.96 1zg2 h HIS 35 Cb -0.01 -0.06 0.01 0.00 1.55 0.00 0.00 27.41 28.90 1zg2 h HIS 35 CO 0.00 1.16 -0.44 0.00 -1.30 0.00 0.00 177.93 177.36 1zg2 h ALA 36 N 0.29 -1.24 0.00 5.26 0.00 -0.43 -3.05 119.26 120.09 1zg2 h ALA 36 Ca -0.08 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 1zg2 h ALA 36 Cb 1.35 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 1zg2 h ALA 36 CO 0.12 -1.15 -0.66 0.77 0.00 0.00 0.00 179.25 178.34 1zg2 h SER 37 N -1.32 0.00 0.95 0.00 0.02 -0.63 -3.21 113.55 109.36 1zg2 h SER 37 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1zg2 h SER 37 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1zg2 h SER 37 CO 0.21 0.66 0.00 0.61 -1.14 0.00 0.00 176.83 177.16 1zg2 n GLY 38 N 0.56 -1.40 3.61 -3.77 0.00 -0.42 -4.71 105.19 99.06 1zg2 n GLY 38 Ca -0.01 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1zg2 n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1zg2 s LYS 39 N -3.08 3.48 0.00 1.61 2.20 -1.15 -2.41 119.74 120.39 1zg2 s LYS 39 Ca 0.10 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 1zg2 s LYS 39 Cb 0.14 -4.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.28 1zg2 s LYS 39 CO 0.46 -1.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.18 1zg2 n GLY 40 N 5.21 3.51 1.35 5.54 0.00 -1.26 -5.05 105.19 114.48 1zg2 n GLY 40 Ca 0.22 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 -2.31 0.79 4.61 0.00 -1.01 -4.83 120.51 117.75 1zg2 n ALA 41 Ca 0.00 0.35 0.13 0.00 0.00 0.00 0.00 53.44 53.92 1zg2 n ALA 41 Cb 0.00 -1.19 0.43 0.00 0.00 0.00 0.00 19.45 18.69 1zg2 n ALA 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1zg2 n LYS 42 N 0.25 0.15 0.00 0.00 5.02 -1.26 -4.95 118.16 117.37 1zg2 n LYS 42 Ca 0.00 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1zg2 n LYS 42 Cb 0.00 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 1zg2 n LYS 42 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1zg2 n TYR 43 N -1.90 0.00 -2.59 2.13 9.36 -1.26 -4.95 117.16 117.95 1zg2 n TYR 43 Ca 0.06 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.28 1zg2 n TYR 43 Cb 0.39 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.10 1zg2 n TYR 43 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1zg2 n THR 44 N 0.00 0.00 -4.87 2.97 5.66 -1.26 -4.81 114.28 111.96 1zg2 n THR 44 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 1zg2 n THR 44 Cb 0.00 -0.02 -0.17 0.00 -1.55 0.00 0.00 70.33 68.60 1zg2 n THR 44 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1zg2 s ARG 45 N -0.10 2.45 0.00 1.09 6.06 -1.26 -4.98 118.95 122.21 1zg2 s ARG 45 Ca 0.00 -0.67 0.00 0.00 -2.50 0.00 0.00 55.73 52.56 1zg2 s ARG 45 Cb 0.00 -1.93 0.00 0.00 0.06 0.00 0.00 34.95 33.08 1zg2 s ARG 45 CO 0.00 0.09 0.00 0.41 -2.50 0.00 0.00 175.30 173.30 1zg2 n GLY 46 N 3.73 -1.28 2.37 8.12 0.00 -1.26 -4.98 105.19 111.89 1zg2 n GLY 46 Ca -0.20 0.48 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 1zg2 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zg2 n ARG 47 N 0.00 -1.24 -3.71 1.61 1.74 -1.26 -4.94 116.66 108.85 1zg2 n ARG 47 Ca 0.00 0.89 -0.02 0.00 -0.77 0.00 0.00 57.85 57.95 1zg2 n ARG 47 Cb 0.00 -5.22 0.02 0.00 -1.02 0.00 0.00 32.46 26.24 1zg2 n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1zg2 n GLY 48 N -1.00 0.61 0.78 -0.13 0.00 -1.26 -4.69 105.19 99.50 1zg2 n GLY 48 Ca -0.18 -1.12 0.04 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.69 2.08 -2.47 1.61 -0.04 -1.26 -5.04 135.00 129.18 1zg2 n PRO 49 Ca -0.01 -1.12 -0.41 0.00 -0.04 0.00 0.00 63.50 61.92 1zg2 n PRO 49 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.65 2.27 -0.23 0.54 0.40 -1.25 -4.07 117.98 113.99 1zg2 s PHE 50 Ca 0.20 0.20 -0.15 0.00 -0.60 0.00 0.00 56.93 56.59 1zg2 s PHE 50 Cb 0.13 -4.51 -0.04 0.00 0.51 0.00 0.00 43.02 39.10 1zg2 s PHE 50 CO 0.10 -2.00 0.35 1.03 0.70 0.00 0.00 175.22 175.39 1zg2 s ARG 51 N 5.70 4.10 -0.42 0.44 0.52 -0.17 -4.82 118.95 124.30 1zg2 s ARG 51 Ca 0.43 0.07 -0.29 0.00 -0.52 0.00 0.00 55.73 55.42 1zg2 s ARG 51 Cb -0.09 -3.58 0.01 0.00 0.52 0.00 0.00 34.95 31.82 1zg2 s ARG 51 CO 0.19 -0.10 1.42 -1.17 0.02 0.00 0.00 175.30 175.66 1zg2 s LEU 52 N 1.51 3.57 -0.06 2.53 2.96 -1.26 0.07 118.68 128.00 1zg2 s LEU 52 Ca 0.16 0.78 -0.00 0.00 -0.22 0.00 0.00 54.13 54.85 1zg2 s LEU 52 Cb -0.15 -3.50 -0.00 0.00 0.50 0.00 0.00 46.19 43.04 1zg2 s LEU 52 CO 0.08 -1.46 0.02 0.58 -1.32 0.00 0.00 176.35 174.24 1zg2 h VAL 53 N 6.47 0.00 -3.96 1.68 2.07 -1.74 -3.47 116.25 117.31 1zg2 h VAL 53 Ca -0.27 -0.58 -0.15 0.00 0.82 0.00 0.00 66.70 66.52 1zg2 h VAL 53 Cb 1.10 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.69 1zg2 h VAL 53 CO 1.09 0.00 -0.64 0.00 0.02 0.00 0.00 177.57 178.05 1zg2 s ALA 54 N -2.76 0.12 -0.19 1.67 0.00 -1.25 -4.98 121.76 114.37 1zg2 s ALA 54 Ca -0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 1zg2 s ALA 54 Cb 0.00 0.19 0.06 0.00 0.00 0.00 0.00 23.12 23.37 1zg2 s ALA 54 CO 0.00 -0.24 0.02 0.99 0.00 0.00 0.00 175.76 176.53 1zg2 s THR 55 N -2.24 0.60 0.10 0.00 2.01 -1.26 -1.81 115.64 113.04 1zg2 s THR 55 Ca -0.08 -0.56 -0.00 0.00 0.31 0.00 0.00 61.69 61.35 1zg2 s THR 55 Cb -0.04 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1zg2 s THR 55 CO -0.04 -0.16 0.26 0.26 -0.69 0.00 0.00 174.62 174.25 1zg2 s TRP 56 N 1.83 3.50 -0.15 4.92 0.51 -0.13 -4.89 118.94 124.53 1zg2 s TRP 56 Ca -0.01 0.27 -0.01 0.00 -2.12 0.00 0.00 56.10 54.22 1zg2 s TRP 56 Cb -0.17 -1.78 0.04 0.00 -0.81 0.00 0.00 33.47 30.76 1zg2 s TRP 56 CO -0.08 0.54 -0.01 0.00 -0.51 0.00 0.00 176.95 176.89 1zg2 s ALA 57 N -1.60 1.16 -0.12 0.98 0.00 -1.26 0.31 121.76 121.23 1zg2 s ALA 57 Ca 0.36 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 1zg2 s ALA 57 Cb -0.12 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 1zg2 s ALA 57 CO 0.28 -0.84 -0.09 -0.06 0.00 0.00 0.00 175.76 175.05 1zg2 s PHE 58 N 1.78 2.90 -1.81 0.00 0.08 0.01 -4.97 117.98 115.95 1zg2 s PHE 58 Ca 0.01 -0.39 0.29 0.00 0.12 0.00 0.00 56.93 56.96 1zg2 s PHE 58 Cb -0.15 -1.85 1.37 0.00 -0.57 0.00 0.00 43.02 41.81 1zg2 s PHE 58 CO -0.07 -0.05 1.94 -0.35 -0.10 0.00 0.00 175.22 176.59 1zg2 n PRO 59 N 3.26 0.86 -4.92 0.24 -0.04 -1.26 -2.67 135.00 130.46 1zg2 n PRO 59 Ca -0.18 -0.26 -0.33 0.00 -0.04 0.00 0.00 63.50 62.70 1zg2 n PRO 59 Cb 0.53 -1.49 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.32 3.54 0.07 3.54 0.01 -1.26 -4.21 113.70 113.06 1zg2 s SER 60 Ca 0.34 -0.46 -0.32 0.00 1.31 0.00 0.00 55.95 56.82 1zg2 s SER 60 Cb 0.21 -1.51 -0.19 0.00 0.21 0.00 0.00 66.02 64.73 1zg2 s SER 60 CO 0.43 0.15 1.62 0.50 0.41 0.00 0.00 173.24 176.35 1zg2 h LYS 61 N 6.82 -0.83 -0.19 12.44 3.64 -1.94 -2.77 116.57 133.74 1zg2 h LYS 61 Ca -0.24 0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.12 1zg2 h LYS 61 Cb 1.22 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 1zg2 h LYS 61 CO 0.52 -0.55 -0.22 1.05 -2.27 0.00 0.00 179.45 177.98 1zg2 h GLU 62 N -0.87 0.35 0.14 1.90 -0.00 -1.98 0.55 114.58 114.66 1zg2 h GLU 62 Ca -0.09 -0.11 0.01 0.00 -0.00 0.00 0.00 59.36 59.17 1zg2 h GLU 62 Cb 0.66 -0.03 -0.03 0.00 -0.00 0.00 0.00 28.75 29.36 1zg2 h GLU 62 CO 0.14 0.56 -0.21 0.93 -0.00 0.00 0.00 179.01 180.42 1zg2 h GLU 63 N 0.31 -0.40 0.00 1.06 4.39 -1.99 -2.01 114.58 115.94 1zg2 h GLU 63 Ca 0.05 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 1zg2 h GLU 63 Cb 0.57 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1zg2 h GLU 63 CO 0.04 -0.27 -0.14 0.00 -1.16 0.00 0.00 179.01 177.48 1zg2 h ALA 64 N 0.35 1.04 0.10 3.43 0.00 -1.14 -2.00 119.26 121.05 1zg2 h ALA 64 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1zg2 h ALA 64 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1zg2 h ALA 64 CO -0.10 0.18 -0.05 1.98 0.00 0.00 0.00 179.25 181.26 1zg2 h MET 65 N 0.00 -0.13 -0.61 0.00 1.85 -0.46 0.16 114.93 115.73 1zg2 h MET 65 Ca -0.00 0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 59.01 1zg2 h MET 65 Cb 0.62 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.66 1zg2 h MET 65 CO 0.02 0.28 0.05 0.00 -0.40 0.00 0.00 176.91 176.86 1zg2 h ARG 66 N -0.59 1.03 0.19 0.39 3.08 -1.33 -2.73 114.38 114.43 1zg2 h ARG 66 Ca -0.01 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 1zg2 h ARG 66 Cb 0.48 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1zg2 h ARG 66 CO 0.02 0.98 -0.21 2.35 -1.07 0.00 0.00 179.97 182.04 1zg2 h TRP 67 N 0.95 -0.58 -0.73 3.04 2.91 -1.34 -2.57 115.95 117.64 1zg2 h TRP 67 Ca 0.18 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.22 1zg2 h TRP 67 Cb 0.49 0.23 -0.04 0.00 -0.51 0.00 0.00 29.16 29.33 1zg2 h TRP 67 CO 0.03 -0.28 0.47 1.49 -1.03 0.00 0.00 178.44 179.13 1zg2 h GLU 68 N -0.41 0.92 -0.70 2.65 4.22 -0.99 0.64 114.58 120.91 1zg2 h GLU 68 Ca -0.02 -0.06 0.08 0.00 0.08 0.00 0.00 59.36 59.44 1zg2 h GLU 68 Cb 0.36 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 1zg2 h GLU 68 CO -0.03 0.61 0.37 -0.92 -2.18 0.00 0.00 179.01 176.85 1zg2 h TYR 69 N 0.95 0.66 -0.05 0.92 3.20 -1.52 -1.01 116.97 120.12 1zg2 h TYR 69 Ca 0.28 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.99 1zg2 h TYR 69 Cb -0.06 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 1zg2 h TYR 69 CO -0.03 0.27 -0.77 0.93 -1.64 0.00 0.00 178.16 176.92 1zg2 h GLU 70 N 0.64 0.35 -0.68 1.82 5.08 -0.83 -2.66 114.58 118.31 1zg2 h GLU 70 Ca 0.33 -0.31 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1zg2 h GLU 70 Cb 0.30 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1zg2 h GLU 70 CO -0.23 0.96 0.43 0.28 -1.00 0.00 0.00 179.01 179.45 1zg2 h VAL 71 N 0.23 1.12 -0.68 3.13 2.07 -0.13 0.55 116.25 122.53 1zg2 h VAL 71 Ca -0.04 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1zg2 h VAL 71 Cb 1.36 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1zg2 h VAL 71 CO 0.13 0.16 0.42 0.11 0.02 0.00 0.00 177.57 178.41 1zg2 h LYS 72 N 0.86 0.79 0.00 1.57 1.57 -1.16 -2.60 116.57 117.61 1zg2 h LYS 72 Ca 0.26 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1zg2 h LYS 72 Cb -0.03 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.10 1zg2 h LYS 72 CO -0.09 0.52 -0.09 0.72 -0.57 0.00 0.00 179.45 179.95 1zg2 n HIS 73 N -4.69 0.09 -2.43 -1.35 8.25 -0.46 -4.76 115.22 109.87 1zg2 n HIS 73 Ca 0.07 0.03 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 1zg2 n HIS 73 Cb 0.10 -0.50 -0.03 0.00 1.12 0.00 0.00 29.99 30.67 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 -3.16 4.32 1.09 2.41 1.43 0.18 -5.02 118.68 119.93 1zg2 s LEU 74 Ca 0.13 1.93 -0.12 0.00 -1.03 0.00 0.00 54.13 55.03 1zg2 s LEU 74 Cb 0.18 -3.57 0.24 0.00 0.03 0.00 0.00 46.19 43.07 1zg2 s LEU 74 CO 0.57 -0.54 1.06 -0.44 0.23 0.00 0.00 176.35 177.22 1zg2 s SER 75 N 1.33 1.62 0.49 2.29 0.01 -1.26 -4.61 113.70 113.57 1zg2 s SER 75 Ca 0.58 1.61 0.17 0.00 1.31 0.00 0.00 55.95 59.62 1zg2 s SER 75 Cb -0.27 -2.31 1.20 0.00 0.21 0.00 0.00 66.02 64.85 1zg2 s SER 75 CO 0.26 -3.82 2.06 0.03 0.41 0.00 0.00 173.24 172.18 1zg2 h ARG 76 N -2.36 0.15 -0.31 12.44 -0.00 -1.96 0.29 114.38 122.62 1zg2 h ARG 76 Ca -0.57 -0.01 0.02 0.00 -0.50 0.00 0.00 59.98 58.92 1zg2 h ARG 76 Cb 1.32 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 31.23 1zg2 h ARG 76 CO 0.50 0.10 0.17 -0.09 0.00 0.00 0.00 179.97 180.64 1zg2 h ARG 77 N 0.15 0.34 0.00 0.04 2.43 -1.99 0.19 114.38 115.54 1zg2 h ARG 77 Ca 0.14 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.16 1zg2 h ARG 77 Cb 0.37 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1zg2 h ARG 77 CO -0.02 0.22 -0.64 0.87 -1.51 0.00 0.00 179.97 178.89 1zg2 h LYS 78 N 0.35 0.00 -0.32 0.20 6.56 -1.42 -2.24 116.57 119.70 1zg2 h LYS 78 Ca 0.13 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.62 1zg2 h LYS 78 Cb 0.02 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.67 1zg2 h LYS 78 CO -0.08 0.64 -0.20 0.87 -2.06 0.00 0.00 179.45 178.62 1zg2 h LYS 79 N 0.00 0.59 -0.26 3.15 1.57 -0.56 0.04 116.57 121.10 1zg2 h LYS 79 Ca -0.01 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 1zg2 h LYS 79 Cb 1.19 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1zg2 h LYS 79 CO 0.08 0.76 -0.09 0.93 -0.57 0.00 0.00 179.45 180.57 1zg2 h GLU 80 N 0.53 0.42 -0.62 3.15 4.39 -0.30 0.88 114.58 123.02 1zg2 h GLU 80 Ca 0.08 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 1zg2 h GLU 80 Cb 0.64 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1zg2 h GLU 80 CO 0.05 0.51 0.02 0.37 -1.16 0.00 0.00 179.01 178.80 1zg2 h GLN 81 N 0.39 1.07 -0.43 2.33 4.15 -0.79 -1.15 115.11 120.68 1zg2 h GLN 81 Ca 0.08 -0.33 -0.05 0.00 0.77 0.00 0.00 58.65 59.13 1zg2 h GLN 81 Cb 0.40 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 1zg2 h GLN 81 CO 0.02 1.03 0.08 -0.07 -1.93 0.00 0.00 178.83 177.96 1zg2 h LEU 82 N 0.99 0.61 -1.43 -2.39 3.38 -0.22 -0.73 115.31 115.52 1zg2 h LEU 82 Ca 0.18 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1zg2 h LEU 82 Cb 0.53 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1zg2 h LEU 82 CO 0.03 0.63 -0.13 0.58 0.09 0.00 0.00 178.44 179.64 1zg2 h VAL 83 N 0.64 0.36 0.00 1.22 2.07 -0.40 -2.05 116.25 118.09 1zg2 h VAL 83 Ca 0.14 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1zg2 h VAL 83 Cb 0.28 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1zg2 h VAL 83 CO 0.00 0.13 0.00 -1.20 0.02 0.00 0.00 177.57 176.52 1zg2 n SER 84 N -3.33 0.00 0.07 0.57 7.64 -0.29 -1.68 113.62 116.60 1zg2 n SER 84 Ca -0.00 0.49 0.12 0.00 1.01 0.00 0.00 58.87 60.49 1zg2 n SER 84 Cb 0.34 -0.49 0.21 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.49 0.72 -4.77 -3.43 4.77 -0.77 -4.86 117.00 107.17 1zg2 n LEU 85 Ca 0.06 0.28 -0.38 0.00 -0.03 0.00 0.00 56.01 55.94 1zg2 n LEU 85 Cb 0.28 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1zg2 n LEU 85 CO 0.23 -0.07 0.82 -0.75 -1.33 0.00 0.00 177.39 176.28 1zg2 s LYS 86 N -3.16 4.13 -0.10 3.23 2.20 -0.67 -4.92 119.74 120.45 1zg2 s LYS 86 Ca 0.07 1.79 -0.05 0.00 -0.36 0.00 0.00 55.97 57.42 1zg2 s LYS 86 Cb 0.13 -2.71 -0.16 0.00 -1.51 0.00 0.00 37.83 33.58 1zg2 s LYS 86 CO 0.70 -0.24 3.23 0.41 -0.36 0.00 0.00 175.35 179.10 1zg2 n GLY 87 N 0.64 3.25 1.36 5.54 0.00 -1.26 -4.95 105.19 109.77 1zg2 n GLY 87 Ca 0.04 -1.21 0.17 0.00 0.00 0.00 0.00 46.02 45.02 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 2.00 -2.95 3.57 -0.02 0.00 -1.26 -4.45 105.19 102.08 1zg2 n GLY 88 Ca 0.39 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.66 3.86 -0.30 1.61 0.04 -1.26 -4.81 135.00 130.48 1zg2 s PRO 89 Ca 0.00 -1.73 -0.01 0.00 0.04 0.00 0.00 61.00 59.30 1zg2 s PRO 89 Cb 0.00 -5.46 0.19 0.00 0.04 0.00 0.00 34.50 29.28 1zg2 s PRO 89 CO 0.00 -2.22 0.70 -0.47 0.04 0.00 0.00 177.00 175.05 1zg2 s TYR 90 N 4.36 -1.47 0.17 0.56 5.04 -1.26 -5.00 117.35 119.75 1zg2 s TYR 90 Ca 0.51 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 56.31 1zg2 s TYR 90 Cb 0.02 0.37 0.00 0.00 0.35 0.00 0.00 41.96 42.70 1zg2 s TYR 90 CO 0.02 -0.83 0.00 -1.91 -1.34 0.00 0.00 175.55 171.48 1zg2 n GLU 91 N 5.40 -1.38 -2.20 4.97 4.07 -1.26 -4.81 120.64 125.42 1zg2 n GLU 91 Ca 0.02 1.04 -0.19 0.00 -0.06 0.00 0.00 57.16 57.97 1zg2 n GLU 91 Cb 0.53 -1.20 -0.03 0.00 -0.06 0.00 0.00 31.44 30.68 1zg2 n GLU 91 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1zg2 n ASN 92 N -1.20 -5.35 -0.15 4.31 3.02 -1.26 -4.85 115.26 109.78 1zg2 n ASN 92 Ca 0.00 0.14 0.12 0.00 -0.03 0.00 0.00 54.58 54.80 1zg2 n ASN 92 Cb 0.04 -4.54 0.15 0.00 -0.61 0.00 0.00 39.78 34.82 1zg2 n ASN 92 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1zg2 n THR 93 N -3.47 0.00 0.00 3.41 5.66 -1.26 -4.68 114.28 113.94 1zg2 n THR 93 Ca -0.22 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 1zg2 n THR 93 Cb 0.66 0.64 0.00 0.00 -1.55 0.00 0.00 70.33 70.08 1zg2 n THR 93 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1zg2 n THR 94 N -1.02 0.00 -1.23 1.09 -2.24 -1.26 -4.88 114.28 104.75 1zg2 n THR 94 Ca 0.08 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.76 1zg2 n THR 94 Cb 0.36 -0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 1zg2 n THR 94 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1zg2 n LYS 95 N 0.00 -1.72 -2.05 -0.78 3.00 -1.26 -4.71 118.16 110.64 1zg2 n LYS 95 Ca 0.00 0.78 -0.36 0.00 -0.00 0.00 0.00 58.31 58.74 1zg2 n LYS 95 Cb 0.00 -5.13 -0.04 0.00 0.00 0.00 0.00 35.03 29.86 1zg2 n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1zg2 n LEU 96 N -1.09 4.08 -4.56 3.14 7.99 -1.26 -4.87 117.00 120.43 1zg2 n LEU 96 Ca -0.09 -3.43 -0.32 0.00 -0.01 0.00 0.00 56.01 52.16 1zg2 n LEU 96 Cb 0.54 -1.64 -0.04 0.00 -0.11 0.00 0.00 43.42 42.17 1zg2 n LEU 96 CO 0.14 -0.79 1.39 -0.94 -1.51 0.00 0.00 177.39 175.69 1zg2 s SER 97 N 5.32 5.55 0.30 -1.43 1.04 -1.26 -4.94 113.70 118.28 1zg2 s SER 97 Ca 0.61 -0.82 -0.30 0.00 0.48 0.00 0.00 55.95 55.92 1zg2 s SER 97 Cb 0.04 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.48 1zg2 s SER 97 CO 0.10 -2.36 1.43 0.35 0.98 0.00 0.00 173.24 173.73 1zg2 n THR 98 N 7.53 1.41 0.00 2.02 -2.24 -1.26 -5.17 114.28 116.57 1zg2 n THR 98 Ca 0.36 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1zg2 n THR 98 Cb 0.48 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 1zg2 n THR 98 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91