#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wz7 s HIS 3 N 0.00 3.12 -0.07 1.43 5.65 -1.17 -2.88 115.29 121.37 1wz7 s HIS 3 Ca 0.00 0.91 0.03 0.00 0.25 0.00 0.00 55.06 56.25 1wz7 s HIS 3 Cb 0.00 -3.79 0.01 0.00 -1.18 0.00 0.00 32.58 27.62 1wz7 s HIS 3 CO 0.00 -2.72 -0.14 0.99 -0.65 0.00 0.00 174.74 172.22 1wz7 s THR 4 N 0.64 1.29 -0.20 0.89 2.01 0.28 -0.20 115.64 120.36 1wz7 s THR 4 Ca 0.64 -0.57 -0.06 0.00 0.31 0.00 0.00 61.69 62.00 1wz7 s THR 4 Cb -0.40 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 1wz7 s THR 4 CO 0.36 0.39 0.03 -0.63 -0.69 0.00 0.00 174.62 174.07 1wz7 s ILE 5 N 0.57 4.26 -0.22 1.82 1.01 0.13 -0.01 121.20 128.77 1wz7 s ILE 5 Ca -0.14 -0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 1wz7 s ILE 5 Cb -0.16 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 1wz7 s ILE 5 CO 0.04 0.43 0.16 -0.22 0.00 0.00 0.00 174.94 175.35 1wz7 s LEU 6 N 0.84 4.17 -0.24 2.97 2.96 -0.25 0.69 118.68 129.82 1wz7 s LEU 6 Ca 0.02 0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 54.08 1wz7 s LEU 6 Cb -0.14 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1wz7 s LEU 6 CO 0.02 0.11 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.40 1wz7 s LEU 7 N 0.72 3.21 -0.25 -0.68 1.43 0.21 -1.95 118.68 121.36 1wz7 s LEU 7 Ca 0.09 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 52.60 1wz7 s LEU 7 Cb -0.12 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 1wz7 s LEU 7 CO 0.02 -0.08 -0.00 -0.69 0.23 0.00 0.00 176.35 175.82 1wz7 s VAL 8 N 1.47 3.56 -0.48 -1.59 1.01 0.49 -1.79 120.40 123.07 1wz7 s VAL 8 Ca 0.04 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1wz7 s VAL 8 Cb -0.15 -2.70 0.13 0.00 0.00 0.00 0.00 36.38 33.65 1wz7 s VAL 8 CO -0.02 0.30 0.24 -1.58 0.00 0.00 0.00 175.10 174.05 1wz7 s GLN 9 N 1.48 2.00 0.09 2.72 0.74 0.02 -1.35 119.66 125.36 1wz7 s GLN 9 Ca 0.04 -2.29 -0.30 0.00 0.05 0.00 0.00 55.36 52.87 1wz7 s GLN 9 Cb -0.15 -3.43 -0.15 0.00 1.10 0.00 0.00 33.01 30.37 1wz7 s GLN 9 CO -0.01 -1.08 1.65 -1.35 -0.55 0.00 0.00 175.29 173.95 1wz7 h PRO 10 N 7.15 -0.61 0.00 1.67 0.11 -1.81 -0.65 132.00 137.86 1wz7 h PRO 10 Ca -0.06 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1wz7 h PRO 10 Cb 0.96 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1wz7 h PRO 10 CO 0.66 -0.40 0.00 0.25 -0.21 0.00 0.00 178.00 178.29 1wz7 n THR 11 N -5.39 0.00 -0.13 -1.15 -2.24 -1.26 -0.78 114.28 103.33 1wz7 n THR 11 Ca -0.10 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.61 1wz7 n THR 11 Cb 0.29 -0.16 0.02 0.00 -2.10 0.00 0.00 70.33 68.38 1wz7 n THR 11 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1wz7 h LYS 12 N 0.00 0.45 0.00 -0.78 1.63 -1.97 -3.41 116.57 112.48 1wz7 h LYS 12 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1wz7 h LYS 12 Cb 0.00 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 1wz7 h LYS 12 CO 0.00 0.30 0.00 0.54 -3.45 0.00 0.00 179.45 176.84 1wz7 n ARG 13 N -4.88 0.00 -0.29 1.90 5.12 -1.26 -5.08 116.66 112.16 1wz7 n ARG 13 Ca 0.02 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.82 1wz7 n ARG 13 Cb 0.08 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.36 1wz7 n ARG 13 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1wz7 n PRO 14 N 0.00 0.00 0.00 5.56 -0.02 -1.26 -4.74 135.00 134.54 1wz7 n PRO 14 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1wz7 n PRO 14 Cb 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 33.50 33.22 1wz7 n PRO 14 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1wz7 n GLU 15 N 0.81 0.00 0.00 -0.52 0.28 -1.26 -4.95 120.64 115.00 1wz7 n GLU 15 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 1wz7 n GLU 15 Cb -0.01 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.86 1wz7 n GLU 15 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1wz7 n GLY 16 N 0.00 1.09 3.56 -1.84 0.00 -1.26 -4.79 105.19 101.96 1wz7 n GLY 16 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1wz7 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wz7 n ARG 17 N 0.64 1.45 -4.41 1.61 1.74 -1.26 -4.58 116.66 111.86 1wz7 n ARG 17 Ca 0.00 0.28 -0.21 0.00 -0.77 0.00 0.00 57.85 57.15 1wz7 n ARG 17 Cb 0.26 -3.20 -0.10 0.00 -1.02 0.00 0.00 32.46 28.40 1wz7 n ARG 17 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1wz7 s THR 18 N 9.84 2.10 0.17 0.55 -1.32 -0.46 -4.98 115.64 121.54 1wz7 s THR 18 Ca 1.02 -2.30 0.01 0.00 -1.21 0.00 0.00 61.69 59.21 1wz7 s THR 18 Cb -0.35 -2.16 -0.05 0.00 -1.51 0.00 0.00 72.50 68.43 1wz7 s THR 18 CO 0.33 -0.49 0.01 -0.72 -2.21 0.00 0.00 174.62 171.54 1wz7 s TYR 19 N -2.72 1.16 -0.04 9.09 -0.85 -1.26 -0.38 117.35 122.35 1wz7 s TYR 19 Ca 0.26 -1.04 -0.04 0.00 -0.52 0.00 0.00 57.07 55.72 1wz7 s TYR 19 Cb -0.03 -0.66 0.01 0.00 0.38 0.00 0.00 41.96 41.66 1wz7 s TYR 19 CO 0.11 -0.25 0.12 0.00 -1.52 0.00 0.00 175.55 174.01 1wz7 s ALA 20 N -3.70 -0.30 -0.15 9.51 0.00 -0.83 -4.97 121.76 121.32 1wz7 s ALA 20 Ca 0.24 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.38 1wz7 s ALA 20 Cb 0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 1wz7 s ALA 20 CO 0.03 -0.07 0.24 -0.51 0.00 0.00 0.00 175.76 175.46 1wz7 s ASP 21 N -0.04 6.42 0.11 0.00 1.01 -1.26 -1.09 116.67 121.82 1wz7 s ASP 21 Ca -0.01 0.49 0.06 0.00 0.71 0.00 0.00 52.55 53.80 1wz7 s ASP 21 Cb -0.01 -2.15 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 1wz7 s ASP 21 CO 0.00 0.19 -0.15 -0.31 0.21 0.00 0.00 175.17 175.12 1wz7 s TYR 22 N 0.04 1.40 0.19 4.23 2.02 0.99 -4.99 117.35 121.24 1wz7 s TYR 22 Ca 0.15 -0.53 -0.10 0.00 -0.37 0.00 0.00 57.07 56.23 1wz7 s TYR 22 Cb -0.13 -0.74 0.11 0.00 -0.40 0.00 0.00 41.96 40.80 1wz7 s TYR 22 CO 0.04 0.14 1.74 0.93 -1.57 0.00 0.00 175.55 176.82 1wz7 h GLU 23 N 3.68 1.06 0.00 -0.62 3.07 -1.84 0.81 114.58 120.74 1wz7 h GLU 23 Ca -0.40 -0.21 -0.28 0.00 -0.50 0.00 0.00 59.36 57.96 1wz7 h GLU 23 Cb 1.19 -0.16 -0.07 0.00 -0.84 0.00 0.00 28.75 28.87 1wz7 h GLU 23 CO 0.48 0.90 -0.17 -1.13 -1.40 0.00 0.00 179.01 177.69 1wz7 n SER 24 N -4.34 -1.24 0.13 1.42 3.41 -1.14 -3.03 113.62 108.83 1wz7 n SER 24 Ca 0.05 -2.83 -0.14 0.00 -0.26 0.00 0.00 58.87 55.69 1wz7 n SER 24 Cb 0.20 2.35 -0.08 0.00 -0.26 0.00 0.00 64.21 66.41 1wz7 n SER 24 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1wz7 h VAL 25 N 1.97 0.84 -0.93 -3.33 -1.51 -1.91 -2.28 116.25 109.10 1wz7 h VAL 25 Ca -0.26 -0.26 0.07 0.00 -1.23 0.00 0.00 66.70 65.03 1wz7 h VAL 25 Cb 1.13 0.99 -0.06 0.00 -2.13 0.00 0.00 31.29 31.22 1wz7 h VAL 25 CO 0.35 0.06 0.60 0.78 -1.23 0.00 0.00 177.57 178.13 1wz7 h ASN 26 N -0.41 0.92 -0.06 4.19 4.21 -1.97 -0.49 115.58 121.95 1wz7 h ASN 26 Ca -0.03 0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.42 1wz7 h ASN 26 Cb 0.32 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.32 1wz7 h ASN 26 CO 0.05 0.58 -0.15 -0.08 -1.29 0.00 0.00 177.43 176.53 1wz7 h GLU 27 N 1.03 0.41 -1.45 0.81 4.81 -1.94 -0.92 114.58 117.34 1wz7 h GLU 27 Ca 0.41 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1wz7 h GLU 27 Cb 0.24 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1wz7 h GLU 27 CO -0.16 0.56 0.00 0.00 -0.73 0.00 0.00 179.01 178.68 1wz7 n GLU 30 N 0.73 0.00 0.03 0.00 -0.00 -0.35 -1.68 120.64 119.37 1wz7 n GLU 30 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.16 57.07 1wz7 n GLU 30 Cb 0.22 0.00 0.06 0.00 -0.00 0.00 0.00 31.44 31.72 1wz7 n GLU 30 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1wz7 h GLY 31 N 0.00 0.50 0.74 -1.84 0.00 -1.60 0.23 103.07 101.10 1wz7 h GLY 31 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1wz7 h GLY 31 CO 0.00 0.56 -0.11 -2.08 0.00 0.00 0.00 176.54 174.90 1wz7 h VAL 32 N 0.33 0.83 -0.79 4.60 2.07 -1.61 -2.43 116.25 119.25 1wz7 h VAL 32 Ca -0.01 -0.52 0.15 0.00 0.82 0.00 0.00 66.70 67.15 1wz7 h VAL 32 Cb 1.16 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 1wz7 h VAL 32 CO 0.11 0.11 0.53 0.00 0.02 0.00 0.00 177.57 178.34 1wz7 n LYS 34 N -4.50 0.59 0.00 0.00 5.02 0.06 -1.14 118.16 118.19 1wz7 n LYS 34 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1wz7 n LYS 34 Cb 0.52 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 1wz7 n LYS 34 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1wz7 n TYR 36 N 0.86 0.00 -0.01 2.13 9.36 0.09 -0.59 117.16 129.00 1wz7 n TYR 36 Ca 0.00 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.09 1wz7 n TYR 36 Cb 0.30 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.94 1wz7 n TYR 36 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1wz7 h GLU 37 N 0.00 -0.48 0.37 2.98 4.57 -1.38 0.13 114.58 120.77 1wz7 h GLU 37 Ca 0.00 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1wz7 h GLU 37 Cb 0.00 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 1wz7 h GLU 37 CO 0.00 -0.32 -0.36 0.93 -1.18 0.00 0.00 179.01 178.08 1wz7 h GLU 38 N -0.50 -0.72 -0.86 1.92 4.39 -1.14 -2.67 114.58 115.00 1wz7 h GLU 38 Ca 0.07 0.05 0.17 0.00 0.34 0.00 0.00 59.36 59.99 1wz7 h GLU 38 Cb 0.64 0.16 -0.16 0.00 -0.10 0.00 0.00 28.75 29.29 1wz7 h GLU 38 CO -0.42 -0.48 -0.22 1.25 -1.16 0.00 0.00 179.01 177.98 1wz7 h HIS 39 N -0.75 -0.47 0.04 4.33 -0.00 -1.72 -1.80 115.15 114.78 1wz7 h HIS 39 Ca -0.03 0.08 -0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1wz7 h HIS 39 Cb 0.67 0.34 -0.00 0.00 -0.00 0.00 0.00 27.41 28.43 1wz7 h HIS 39 CO -0.20 -0.37 -0.04 -0.07 -0.00 0.00 0.00 177.93 177.25 1wz7 h LEU 40 N -0.00 -0.11 -0.09 0.26 3.38 -0.63 -3.28 115.31 114.83 1wz7 h LEU 40 Ca 0.41 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.40 1wz7 h LEU 40 Cb 0.63 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1wz7 h LEU 40 CO -0.88 -0.06 -0.14 0.11 0.09 0.00 0.00 178.44 177.56 1wz7 h LYS 41 N -0.08 -0.10 -3.89 1.13 1.79 -1.38 -3.41 116.57 110.62 1wz7 h LYS 41 Ca -0.01 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wz7 h LYS 41 Cb 0.07 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1wz7 h LYS 41 CO -0.00 -0.07 0.33 0.54 -1.08 0.00 0.00 179.45 179.17 1wz7 n ARG 42 N -3.36 0.00 -1.51 3.15 1.74 -0.69 -2.21 116.66 113.77 1wz7 n ARG 42 Ca -0.01 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.91 1wz7 n ARG 42 Cb 0.09 -0.81 -0.13 0.00 -1.02 0.00 0.00 32.46 30.59 1wz7 n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1wz7 n ASN 44 N 2.68 0.43 -4.58 0.55 3.02 -1.26 -5.09 115.26 111.00 1wz7 n ASN 44 Ca 0.00 -1.23 -0.41 0.00 -0.03 0.00 0.00 54.58 52.91 1wz7 n ASN 44 Cb 0.16 -1.22 0.02 0.00 -0.61 0.00 0.00 39.78 38.13 1wz7 n ASN 44 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1wz7 n PRO 45 N 7.38 1.10 -1.07 3.52 -0.02 -0.94 -5.17 135.00 139.81 1wz7 n PRO 45 Ca 0.52 0.40 -0.30 0.00 -2.02 0.00 0.00 63.50 62.10 1wz7 n PRO 45 Cb 0.33 -1.96 0.16 0.00 -0.02 0.00 0.00 33.50 32.01 1wz7 n PRO 45 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1wz7 s SER 49 N -0.89 3.09 -0.07 2.55 0.15 -1.26 -5.14 113.70 112.14 1wz7 s SER 49 Ca 0.66 1.57 0.01 0.00 0.70 0.00 0.00 55.95 58.88 1wz7 s SER 49 Cb -0.53 -2.23 0.02 0.00 -1.71 0.00 0.00 66.02 61.57 1wz7 s SER 49 CO 0.55 -2.89 -0.07 -0.63 1.20 0.00 0.00 173.24 171.40 1wz7 s ILE 50 N -2.84 0.84 0.45 6.45 1.01 -1.26 -5.11 121.20 120.73 1wz7 s ILE 50 Ca 0.64 -0.24 -0.24 0.00 0.00 0.00 0.00 60.65 60.81 1wz7 s ILE 50 Cb -0.19 -0.84 -0.07 0.00 0.01 0.00 0.00 42.46 41.36 1wz7 s ILE 50 CO 0.58 0.31 1.26 0.28 0.00 0.00 0.00 174.94 177.37 1wz7 s THR 51 N 1.23 2.70 -0.12 2.92 -1.32 -1.26 -5.02 115.64 114.76 1wz7 s THR 51 Ca -0.05 0.57 -0.29 0.00 -1.21 0.00 0.00 61.69 60.70 1wz7 s THR 51 Cb -0.14 -3.31 0.08 0.00 -1.51 0.00 0.00 72.50 67.62 1wz7 s THR 51 CO -0.02 0.04 0.74 -0.72 -2.21 0.00 0.00 174.62 172.45 1wz7 s TYR 52 N -1.37 -0.64 0.47 9.09 -0.85 -1.26 -5.17 117.35 117.61 1wz7 s TYR 52 Ca 0.62 1.24 0.08 0.00 -0.52 0.00 0.00 57.07 58.49 1wz7 s TYR 52 Cb -0.35 0.38 0.03 0.00 0.38 0.00 0.00 41.96 42.40 1wz7 s TYR 52 CO 0.43 -0.51 0.62 0.16 -1.52 0.00 0.00 175.55 174.73 1wz7 s ASP 53 N -0.79 5.42 0.52 -0.18 1.47 -1.26 -5.00 116.67 116.86 1wz7 s ASP 53 Ca -0.07 -0.59 0.26 0.00 1.18 0.00 0.00 52.55 53.32 1wz7 s ASP 53 Cb -0.01 -0.35 1.42 0.00 -0.34 0.00 0.00 42.92 43.64 1wz7 s ASP 53 CO 0.06 -0.93 2.08 -0.29 0.68 0.00 0.00 175.17 176.78 1wz7 h ILE 54 N 0.54 0.65 -0.58 2.11 2.10 -2.00 -2.32 117.51 118.01 1wz7 h ILE 54 Ca -0.37 -0.48 -0.09 0.00 1.08 0.00 0.00 64.86 64.99 1wz7 h ILE 54 Cb 1.28 1.30 -0.02 0.00 -1.09 0.00 0.00 36.82 38.29 1wz7 h ILE 54 CO 0.45 0.11 0.00 -1.28 -1.08 0.00 0.00 178.15 176.36 1wz7 h SER 55 N 0.00 0.99 0.60 2.19 0.87 -1.99 -1.84 113.55 114.36 1wz7 h SER 55 Ca -0.00 -0.27 -0.13 0.00 -1.23 0.00 0.00 61.79 60.16 1wz7 h SER 55 Cb 0.29 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1wz7 h SER 55 CO 0.02 1.04 -0.61 1.56 -0.53 0.00 0.00 176.83 178.30 1wz7 h GLN 56 N 0.93 0.01 -0.30 2.24 4.20 -1.82 -1.69 115.11 118.69 1wz7 h GLN 56 Ca 0.17 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 1wz7 h GLN 56 Cb 0.54 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1wz7 h GLN 56 CO 0.03 0.62 0.08 1.25 -0.67 0.00 0.00 178.83 180.14 1wz7 h LEU 57 N 0.01 0.44 -1.13 1.46 7.12 -1.24 -2.28 115.31 119.69 1wz7 h LEU 57 Ca -0.01 -0.22 -0.02 0.00 0.13 0.00 0.00 57.88 57.76 1wz7 h LEU 57 Cb 1.08 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 41.06 1wz7 h LEU 57 CO 0.08 0.55 0.33 -0.26 -0.13 0.00 0.00 178.44 179.00 1wz7 h PHE 58 N 0.32 0.93 -0.70 1.25 -1.00 -1.03 -0.35 116.94 116.36 1wz7 h PHE 58 Ca 0.09 -0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.88 1wz7 h PHE 58 Cb 0.27 -0.29 -0.04 0.00 3.61 0.00 0.00 35.95 39.49 1wz7 h PHE 58 CO 0.01 0.67 0.44 -0.44 -1.61 0.00 0.00 178.31 177.38 1wz7 h ASP 59 N 0.94 0.72 -0.67 2.17 3.32 -1.01 0.32 116.42 122.20 1wz7 h ASP 59 Ca 0.23 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1wz7 h ASP 59 Cb 0.08 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1wz7 h ASP 59 CO -0.03 0.50 0.31 0.15 -1.72 0.00 0.00 179.24 178.45 1wz7 h PHE 60 N 0.86 0.98 -0.74 4.55 3.57 -0.56 -1.99 116.94 123.61 1wz7 h PHE 60 Ca 0.28 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 1wz7 h PHE 60 Cb 0.03 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.43 1wz7 h PHE 60 CO -0.04 0.74 0.29 0.82 -2.23 0.00 0.00 178.31 177.89 1wz7 h ILE 61 N 0.94 1.25 0.00 1.41 2.04 -0.07 -1.84 117.51 121.23 1wz7 h ILE 61 Ca 0.23 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1wz7 h ILE 61 Cb 0.14 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1wz7 h ILE 61 CO -0.03 0.32 0.00 0.47 0.00 0.00 0.00 178.15 178.91 1wz7 n ASP 62 N -4.29 0.00 0.15 1.72 8.00 0.10 -2.28 116.55 119.95 1wz7 n ASP 62 Ca 0.07 0.08 0.13 0.00 0.71 0.00 0.00 54.79 55.78 1wz7 n ASP 62 Cb 0.18 -0.31 0.36 0.00 -0.02 0.00 0.00 41.12 41.33 1wz7 n ASP 62 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1wz7 h ASP 63 N 0.00 0.00 -3.24 -2.24 3.32 -0.62 -3.45 116.42 110.19 1wz7 h ASP 63 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1wz7 h ASP 63 Cb 0.19 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 1wz7 h ASP 63 CO 0.00 0.00 -0.05 -0.76 -1.72 0.00 0.00 179.24 176.71 1wz7 s LEU 64 N -5.06 4.48 0.38 1.55 1.43 -0.97 -4.94 118.68 115.55 1wz7 s LEU 64 Ca 0.09 1.19 0.11 0.00 -1.03 0.00 0.00 54.13 54.49 1wz7 s LEU 64 Cb 0.10 -2.87 0.91 0.00 0.03 0.00 0.00 46.19 44.35 1wz7 s LEU 64 CO 0.59 0.22 1.89 0.00 0.23 0.00 0.00 176.35 179.29 1wz7 h ALA 65 N 4.94 1.94 -1.64 4.21 0.00 0.34 -3.44 119.26 125.61 1wz7 h ALA 65 Ca -0.48 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.49 1wz7 h ALA 65 Cb 1.21 -0.10 -0.23 0.00 0.00 0.00 0.00 17.79 18.67 1wz7 h ALA 65 CO 0.65 -0.16 0.47 0.34 0.00 0.00 0.00 179.25 180.55 1wz7 s ASP 66 N -5.86 -0.44 -0.07 0.00 2.15 -0.38 -5.03 116.67 107.05 1wz7 s ASP 66 Ca -0.09 0.58 -0.03 0.00 0.43 0.00 0.00 52.55 53.45 1wz7 s ASP 66 Cb 0.21 0.50 0.04 0.00 -0.30 0.00 0.00 42.92 43.38 1wz7 s ASP 66 CO 0.78 -0.33 0.14 -0.22 -0.17 0.00 0.00 175.17 175.37 1wz7 s LEU 67 N -0.76 0.54 0.22 -1.34 2.96 -1.26 -0.80 118.68 118.24 1wz7 s LEU 67 Ca -0.02 0.29 -0.15 0.00 -0.22 0.00 0.00 54.13 54.03 1wz7 s LEU 67 Cb -0.02 0.31 0.01 0.00 0.50 0.00 0.00 46.19 46.99 1wz7 s LEU 67 CO 0.01 -0.17 0.50 -0.94 -1.32 0.00 0.00 176.35 174.43 1wz7 s SER 68 N 1.46 -0.15 0.05 3.68 1.04 -0.74 -1.24 113.70 117.80 1wz7 s SER 68 Ca -0.06 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1wz7 s SER 68 Cb -0.12 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 1wz7 s SER 68 CO -0.06 -1.11 -0.04 0.00 0.98 0.00 0.00 173.24 173.01 1wz7 s LEU 70 N -2.40 2.07 -0.16 0.00 1.43 0.22 -0.67 118.68 119.17 1wz7 s LEU 70 Ca -0.00 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.49 1wz7 s LEU 70 Cb 0.00 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.80 1wz7 s LEU 70 CO -0.05 0.08 -0.09 -0.69 0.23 0.00 0.00 176.35 175.83 1wz7 s VAL 71 N 0.82 3.32 0.24 -1.59 1.01 -0.61 0.20 120.40 123.80 1wz7 s VAL 71 Ca -0.07 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 1wz7 s VAL 71 Cb -0.15 -2.44 -0.09 0.00 0.00 0.00 0.00 36.38 33.69 1wz7 s VAL 71 CO -0.02 0.49 1.27 -0.47 0.00 0.00 0.00 175.10 176.37 1wz7 s TYR 72 N 0.67 3.27 -0.10 5.22 5.04 0.72 -0.95 117.35 131.22 1wz7 s TYR 72 Ca -0.05 1.36 0.02 0.00 -2.44 0.00 0.00 57.07 55.96 1wz7 s TYR 72 Cb -0.15 -3.56 0.01 0.00 0.35 0.00 0.00 41.96 38.62 1wz7 s TYR 72 CO 0.02 -1.60 -0.14 1.03 -1.34 0.00 0.00 175.55 173.51 1wz7 s ARG 73 N -0.77 2.12 0.00 4.97 0.52 -0.01 -4.57 118.95 121.21 1wz7 s ARG 73 Ca 0.52 -0.53 -0.25 0.00 -0.52 0.00 0.00 55.73 54.96 1wz7 s ARG 73 Cb -0.36 -1.81 -0.18 0.00 0.52 0.00 0.00 34.95 33.11 1wz7 s ARG 73 CO 0.42 -0.06 1.31 0.00 0.02 0.00 0.00 175.30 176.99 1wz7 h ALA 74 N 7.40 -0.11 0.00 2.13 0.00 -1.95 0.53 119.26 127.26 1wz7 h ALA 74 Ca -0.31 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1wz7 h ALA 74 Cb 1.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1wz7 h ALA 74 CO 0.48 -0.37 0.44 -0.40 0.00 0.00 0.00 179.25 179.41 1wz7 n ASP 75 N -4.96 0.02 0.00 0.00 5.75 -1.26 -1.04 116.55 115.06 1wz7 n ASP 75 Ca -0.08 0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.84 1wz7 n ASP 75 Cb 0.22 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 1wz7 n ASP 75 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1wz7 n THR 76 N -1.25 0.00 -3.81 2.12 -2.24 -1.20 -5.02 114.28 102.88 1wz7 n THR 76 Ca -0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.50 1wz7 n THR 76 Cb 0.45 0.87 0.04 0.00 -2.10 0.00 0.00 70.33 69.58 1wz7 n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wz7 n GLN 77 N 0.00 -6.05 -4.34 -0.78 3.00 0.18 -4.98 117.38 104.42 1wz7 n GLN 77 Ca 0.00 0.66 -0.17 0.00 -0.01 0.00 0.00 57.00 57.47 1wz7 n GLN 77 Cb 0.05 -5.55 -0.10 0.00 0.00 0.00 0.00 30.24 24.64 1wz7 n GLN 77 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1wz7 s THR 78 N -3.35 0.97 -0.21 5.09 -4.23 -0.90 -4.94 115.64 108.08 1wz7 s THR 78 Ca 0.55 -2.02 -0.10 0.00 -1.18 0.00 0.00 61.69 58.95 1wz7 s THR 78 Cb -0.27 -2.43 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 1wz7 s THR 78 CO 0.80 -0.24 0.12 -0.31 -0.54 0.00 0.00 174.62 174.45 1wz7 s TYR 79 N -3.46 3.36 -0.25 3.99 1.51 -1.26 -0.83 117.35 120.40 1wz7 s TYR 79 Ca 0.31 0.25 -0.19 0.00 -1.01 0.00 0.00 57.07 56.42 1wz7 s TYR 79 Cb 0.06 -2.17 -0.02 0.00 -0.11 0.00 0.00 41.96 39.72 1wz7 s TYR 79 CO 0.10 0.21 0.59 -1.14 -1.11 0.00 0.00 175.55 174.19 1wz7 s GLN 80 N 0.53 4.11 -0.03 -0.62 2.00 -0.13 -4.85 119.66 120.67 1wz7 s GLN 80 Ca 0.07 0.47 -0.26 0.00 -2.00 0.00 0.00 55.36 53.64 1wz7 s GLN 80 Cb -0.12 -3.64 -0.04 0.00 0.80 0.00 0.00 33.01 30.01 1wz7 s GLN 80 CO -0.00 -0.37 0.79 -1.25 -0.50 0.00 0.00 175.29 173.96 1wz7 s PRO 81 N 2.36 4.48 -0.07 1.67 0.04 -1.26 -1.57 135.00 140.65 1wz7 s PRO 81 Ca 0.25 1.07 0.05 0.00 0.04 0.00 0.00 61.00 62.40 1wz7 s PRO 81 Cb -0.16 -3.44 -0.00 0.00 0.04 0.00 0.00 34.50 30.94 1wz7 s PRO 81 CO 0.09 0.05 -0.21 0.71 0.04 0.00 0.00 177.00 177.68 1wz7 s TYR 82 N 0.78 2.16 0.76 0.56 4.12 0.15 -5.02 117.35 120.87 1wz7 s TYR 82 Ca 0.42 -0.73 -0.11 0.00 0.02 0.00 0.00 57.07 56.67 1wz7 s TYR 82 Cb -0.19 -1.45 0.05 0.00 -1.52 0.00 0.00 41.96 38.86 1wz7 s TYR 82 CO 0.22 -0.27 1.13 0.54 0.02 0.00 0.00 175.55 177.19 1wz7 s ASN 83 N 0.14 4.87 0.26 2.29 2.20 -1.26 -1.33 114.94 122.11 1wz7 s ASN 83 Ca -0.09 0.87 -0.02 0.00 -0.94 0.00 0.00 52.86 52.68 1wz7 s ASN 83 Cb -0.15 -1.49 0.47 0.00 -2.00 0.00 0.00 41.25 38.09 1wz7 s ASN 83 CO 0.05 -1.67 1.82 0.07 -2.94 0.00 0.00 177.10 174.43 1wz7 h LYS 84 N -0.86 0.85 -0.94 3.55 2.10 -1.57 0.15 116.57 119.86 1wz7 h LYS 84 Ca -0.46 -0.05 0.08 0.00 -2.00 0.00 0.00 60.65 58.22 1wz7 h LYS 84 Cb 1.30 -0.19 -0.07 0.00 -0.90 0.00 0.00 32.23 32.37 1wz7 h LYS 84 CO 0.65 0.56 0.59 -0.44 -2.00 0.00 0.00 179.45 178.81 1wz7 h ASP 85 N 0.88 0.91 -0.14 7.07 3.32 -1.93 -0.70 116.42 125.82 1wz7 h ASP 85 Ca 0.45 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.43 1wz7 h ASP 85 Cb 0.43 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1wz7 h ASP 85 CO -0.26 0.55 -0.19 -0.25 -1.72 0.00 0.00 179.24 177.37 1wz7 h TRP 86 N 1.03 0.61 -0.31 4.55 7.01 -1.10 -2.47 115.95 125.27 1wz7 h TRP 86 Ca 0.42 -0.12 -0.06 0.00 2.11 0.00 0.00 58.89 61.24 1wz7 h TRP 86 Cb 0.26 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 1wz7 h TRP 86 CO -0.02 0.72 -0.05 0.82 -2.79 0.00 0.00 178.44 177.12 1wz7 h ILE 87 N 0.50 1.27 -0.07 2.65 2.04 -0.30 -0.07 117.51 123.53 1wz7 h ILE 87 Ca 0.08 -1.06 0.03 0.00 1.00 0.00 0.00 64.86 64.91 1wz7 h ILE 87 Cb 0.62 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1wz7 h ILE 87 CO 0.04 0.34 -0.13 0.11 0.00 0.00 0.00 178.15 178.51 1wz7 h LYS 88 N 0.37 -0.19 0.08 2.37 1.57 -1.04 0.27 116.57 120.00 1wz7 h LYS 88 Ca 0.08 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1wz7 h LYS 88 Cb 0.52 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1wz7 h LYS 88 CO 0.03 -0.12 -0.24 0.93 -0.57 0.00 0.00 179.45 179.48 1wz7 h GLU 89 N -0.19 -0.40 -0.43 3.15 4.39 -1.36 0.50 114.58 120.24 1wz7 h GLU 89 Ca 0.07 0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.88 1wz7 h GLU 89 Cb 0.29 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.96 1wz7 h GLU 89 CO -0.18 -0.27 0.01 -0.22 -1.16 0.00 0.00 179.01 177.19 1wz7 h LYS 90 N -0.42 0.12 -0.36 2.33 1.63 -0.55 0.27 116.57 119.60 1wz7 h LYS 90 Ca 0.04 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 1wz7 h LYS 90 Cb 0.46 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 1wz7 h LYS 90 CO -0.16 0.08 0.11 0.82 -3.45 0.00 0.00 179.45 176.85 1wz7 h ILE 91 N 0.12 1.21 0.39 2.00 2.04 0.11 -2.88 117.51 120.49 1wz7 h ILE 91 Ca 0.21 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 1wz7 h ILE 91 Cb 0.30 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1wz7 h ILE 91 CO -0.35 0.23 -0.44 0.22 0.00 0.00 0.00 178.15 177.82 1wz7 h TYR 92 N 0.42 -1.21 -0.74 1.37 3.20 0.63 0.30 116.97 120.95 1wz7 h TYR 92 Ca 0.11 0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.16 1wz7 h TYR 92 Cb 0.25 0.48 -0.12 0.00 1.54 0.00 0.00 36.73 38.88 1wz7 h TYR 92 CO 0.01 -0.59 0.12 0.28 -1.64 0.00 0.00 178.16 176.34 1wz7 h VAL 93 N -0.85 0.44 0.00 1.81 2.07 -0.94 -1.78 116.25 117.00 1wz7 h VAL 93 Ca -0.03 -0.07 -0.29 0.00 0.82 0.00 0.00 66.70 67.12 1wz7 h VAL 93 Cb 0.77 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1wz7 h VAL 93 CO -0.10 0.04 -1.80 0.00 0.02 0.00 0.00 177.57 175.73 1wz7 n LEU 94 N -5.23 0.73 0.08 2.57 -0.00 -1.09 -3.53 117.00 110.53 1wz7 n LEU 94 Ca 0.14 0.35 0.09 0.00 -0.00 0.00 0.00 56.01 56.58 1wz7 n LEU 94 Cb 0.47 0.22 0.39 0.00 -0.00 0.00 0.00 43.42 44.51 1wz7 n LEU 94 CO 0.10 0.39 0.77 -0.11 -0.00 0.00 0.00 177.39 178.53 1wz7 n LEU 95 N -2.98 0.38 -0.10 1.47 7.94 0.11 -2.81 117.00 121.00 1wz7 n LEU 95 Ca -0.19 0.62 -0.24 0.00 -1.11 0.00 0.00 56.01 55.09 1wz7 n LEU 95 Cb 1.05 -0.60 -0.12 0.00 0.53 0.00 0.00 43.42 44.29 1wz7 n LEU 95 CO 0.45 -0.55 -0.95 -2.11 -1.11 0.00 0.00 177.39 173.11 1wz7 n ARG 96 N -1.95 0.62 -0.80 1.96 1.85 -0.69 -4.49 116.66 113.16 1wz7 n ARG 96 Ca 0.01 0.38 -0.20 0.00 -1.00 0.00 0.00 57.85 57.05 1wz7 n ARG 96 Cb 0.14 -1.64 -0.05 0.00 -1.05 0.00 0.00 32.46 29.86 1wz7 n ARG 96 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1wz7 n ARG 97 N -4.07 2.06 -0.34 2.89 1.85 -1.12 -5.14 116.66 112.79 1wz7 n ARG 97 Ca -0.41 -1.28 0.00 0.00 -1.00 0.00 0.00 57.85 55.16 1wz7 n ARG 97 Cb 0.85 -2.28 0.00 0.00 -1.05 0.00 0.00 32.46 29.97 1wz7 n ARG 97 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66