#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wz7 n HIS 3 N 0.00 2.59 -5.02 1.43 -0.00 -1.25 -3.01 115.22 109.96 1wz7 n HIS 3 Ca 0.00 0.14 -0.28 0.00 0.46 0.00 0.00 57.72 58.04 1wz7 n HIS 3 Cb 0.00 -2.62 -0.16 0.00 -0.12 0.00 0.00 29.99 27.09 1wz7 n HIS 3 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1wz7 s THR 4 N 0.97 1.66 -0.23 3.57 2.01 -0.09 -1.72 115.64 121.81 1wz7 s THR 4 Ca 0.75 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.85 1wz7 s THR 4 Cb -0.57 -1.40 0.01 0.00 0.01 0.00 0.00 72.50 70.55 1wz7 s THR 4 CO 0.36 0.47 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.07 1wz7 s ILE 5 N -0.32 3.09 -0.24 1.82 1.01 0.97 -0.97 121.20 126.56 1wz7 s ILE 5 Ca 0.04 -0.71 -0.17 0.00 0.00 0.00 0.00 60.65 59.81 1wz7 s ILE 5 Cb -0.10 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 1wz7 s ILE 5 CO 0.01 0.36 0.45 -0.22 0.00 0.00 0.00 174.94 175.53 1wz7 s LEU 6 N 1.41 4.08 -0.21 2.97 2.96 -0.25 -0.46 118.68 129.18 1wz7 s LEU 6 Ca 0.04 0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 54.36 1wz7 s LEU 6 Cb -0.15 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.95 1wz7 s LEU 6 CO -0.05 -0.20 0.04 -0.76 -1.32 0.00 0.00 176.35 174.06 1wz7 s LEU 7 N 1.93 3.43 -0.04 -0.68 1.43 -0.09 -1.65 118.68 123.02 1wz7 s LEU 7 Ca 0.19 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.20 1wz7 s LEU 7 Cb -0.15 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 1wz7 s LEU 7 CO 0.09 0.05 -0.21 -0.69 0.23 0.00 0.00 176.35 175.82 1wz7 s VAL 8 N 1.08 1.73 -0.35 -1.59 1.01 0.94 -2.39 120.40 120.84 1wz7 s VAL 8 Ca 0.03 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1wz7 s VAL 8 Cb -0.14 -1.46 0.13 0.00 0.00 0.00 0.00 36.38 34.91 1wz7 s VAL 8 CO 0.02 0.49 0.19 -1.58 0.00 0.00 0.00 175.10 174.22 1wz7 s GLN 9 N -0.23 0.56 0.04 2.72 0.74 -0.17 -0.94 119.66 122.37 1wz7 s GLN 9 Ca 0.01 -1.23 -0.25 0.00 0.05 0.00 0.00 55.36 53.95 1wz7 s GLN 9 Cb -0.11 -1.42 -0.14 0.00 1.10 0.00 0.00 33.01 32.44 1wz7 s GLN 9 CO 0.01 -1.15 1.33 -1.35 -0.55 0.00 0.00 175.29 173.58 1wz7 h PRO 10 N 7.32 -0.86 0.00 1.67 0.11 -1.79 0.53 132.00 138.99 1wz7 h PRO 10 Ca -0.01 0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1wz7 h PRO 10 Cb 0.98 0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1wz7 h PRO 10 CO 0.33 -0.58 0.00 2.41 -0.21 0.00 0.00 178.00 179.96 1wz7 n THR 11 N -4.50 0.00 -2.56 -1.15 -1.04 -1.26 0.42 114.28 104.18 1wz7 n THR 11 Ca -0.11 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.60 1wz7 n THR 11 Cb 0.35 -1.17 -0.01 0.00 -1.82 0.00 0.00 70.33 67.69 1wz7 n THR 11 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1wz7 n LYS 12 N -0.68 3.48 0.00 -2.82 4.01 -1.26 -4.40 118.16 116.49 1wz7 n LYS 12 Ca 0.00 -4.50 0.00 0.00 -0.51 0.00 0.00 58.31 53.30 1wz7 n LYS 12 Cb 0.00 -2.27 0.00 0.00 -0.51 0.00 0.00 35.03 32.25 1wz7 n LYS 12 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1wz7 n ARG 13 N -0.37 0.00 -0.22 1.97 1.74 -1.26 -5.06 116.66 113.46 1wz7 n ARG 13 Ca 0.39 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.42 1wz7 n ARG 13 Cb 0.47 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.86 1wz7 n ARG 13 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1wz7 n PRO 14 N 0.00 -0.23 -2.87 5.56 -0.02 -1.26 -4.75 135.00 131.43 1wz7 n PRO 14 Ca 0.00 0.93 -0.14 0.00 -2.02 0.00 0.00 63.50 62.27 1wz7 n PRO 14 Cb 0.00 -1.37 -0.01 0.00 -0.02 0.00 0.00 33.50 32.10 1wz7 n PRO 14 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1wz7 n GLU 15 N -4.33 1.14 0.00 -0.52 4.71 -1.26 -4.45 120.64 115.93 1wz7 n GLU 15 Ca 0.01 -1.81 0.00 0.00 -0.01 0.00 0.00 57.16 55.35 1wz7 n GLU 15 Cb 0.13 0.27 0.00 0.00 -1.01 0.00 0.00 31.44 30.83 1wz7 n GLU 15 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1wz7 n GLY 16 N 1.65 2.91 3.56 0.62 0.00 -1.26 -4.63 105.19 108.03 1wz7 n GLY 16 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1wz7 n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wz7 s ARG 17 N -0.55 2.05 0.32 1.61 0.52 -1.24 -4.27 118.95 117.39 1wz7 s ARG 17 Ca 0.00 0.71 0.05 0.00 -0.52 0.00 0.00 55.73 55.96 1wz7 s ARG 17 Cb 0.00 -4.70 -0.06 0.00 0.52 0.00 0.00 34.95 30.71 1wz7 s ARG 17 CO 0.00 -3.65 0.02 -0.08 0.02 0.00 0.00 175.30 171.61 1wz7 s THR 18 N 12.43 1.37 0.10 0.02 -1.32 -0.12 -4.97 115.64 123.15 1wz7 s THR 18 Ca 0.87 -2.03 -0.13 0.00 -1.21 0.00 0.00 61.69 59.19 1wz7 s THR 18 Cb -0.13 -2.70 0.02 0.00 -1.51 0.00 0.00 72.50 68.18 1wz7 s THR 18 CO 0.15 -0.10 0.32 -0.72 -2.21 0.00 0.00 174.62 172.06 1wz7 s TYR 19 N -3.18 -0.07 -0.02 9.09 -0.85 -1.26 -0.04 117.35 121.02 1wz7 s TYR 19 Ca 0.34 -0.27 -0.06 0.00 -0.52 0.00 0.00 57.07 56.56 1wz7 s TYR 19 Cb 0.07 0.13 0.01 0.00 0.38 0.00 0.00 41.96 42.55 1wz7 s TYR 19 CO 0.14 -0.63 0.14 0.00 -1.52 0.00 0.00 175.55 173.68 1wz7 s ALA 20 N -3.70 -0.33 -0.13 9.51 0.00 -0.66 -4.98 121.76 121.48 1wz7 s ALA 20 Ca 0.03 0.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.01 1wz7 s ALA 20 Cb 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1wz7 s ALA 20 CO -0.11 -0.15 0.14 -0.51 0.00 0.00 0.00 175.76 175.13 1wz7 s ASP 21 N -0.75 6.37 0.07 0.00 1.01 -1.26 -1.09 116.67 121.02 1wz7 s ASP 21 Ca -0.08 0.44 0.03 0.00 0.71 0.00 0.00 52.55 53.66 1wz7 s ASP 21 Cb -0.05 -2.07 -0.03 0.00 1.01 0.00 0.00 42.92 41.78 1wz7 s ASP 21 CO 0.01 0.39 -0.10 -0.31 0.21 0.00 0.00 175.17 175.36 1wz7 s TYR 22 N -0.89 0.95 -1.31 4.23 2.02 -0.15 -5.01 117.35 117.20 1wz7 s TYR 22 Ca 0.14 -0.57 0.30 0.00 -0.37 0.00 0.00 57.07 56.57 1wz7 s TYR 22 Cb -0.12 -0.54 1.41 0.00 -0.40 0.00 0.00 41.96 42.32 1wz7 s TYR 22 CO 0.03 -0.02 2.00 -0.85 -1.57 0.00 0.00 175.55 175.14 1wz7 n GLU 23 N 1.02 0.31 -3.55 -0.62 0.28 -1.26 -0.91 120.64 115.90 1wz7 n GLU 23 Ca -0.19 -0.01 -0.08 0.00 -0.16 0.00 0.00 57.16 56.71 1wz7 n GLU 23 Cb 0.56 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.91 1wz7 n GLU 23 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1wz7 s SER 24 N -2.70 -0.37 0.17 -1.84 1.04 -1.16 -3.77 113.70 105.07 1wz7 s SER 24 Ca 0.24 -0.10 -0.14 0.00 0.48 0.00 0.00 55.95 56.43 1wz7 s SER 24 Cb 0.20 0.46 0.10 0.00 0.10 0.00 0.00 66.02 66.89 1wz7 s SER 24 CO 0.49 -0.78 1.78 0.58 0.98 0.00 0.00 173.24 176.29 1wz7 h VAL 25 N 2.00 0.96 -0.68 5.02 2.07 -1.89 -2.07 116.25 121.66 1wz7 h VAL 25 Ca -0.25 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1wz7 h VAL 25 Cb 1.25 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1wz7 h VAL 25 CO 0.31 0.08 0.45 0.78 0.02 0.00 0.00 177.57 179.21 1wz7 h ASN 26 N 0.44 0.77 -0.37 0.57 -0.26 -1.97 -1.46 115.58 113.31 1wz7 h ASN 26 Ca 0.20 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.88 1wz7 h ASN 26 Cb 0.11 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 1wz7 h ASN 26 CO -0.15 0.56 0.09 -0.08 -1.06 0.00 0.00 177.43 176.79 1wz7 h GLU 27 N 0.91 0.67 -0.60 0.81 4.81 -1.92 0.16 114.58 119.42 1wz7 h GLU 27 Ca 0.25 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1wz7 h GLU 27 Cb -0.09 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.18 1wz7 h GLU 27 CO -0.06 0.63 0.00 0.00 -0.73 0.00 0.00 179.01 178.85 1wz7 n GLU 30 N 0.49 0.00 -0.20 0.00 1.02 0.57 -0.91 120.64 121.61 1wz7 n GLU 30 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1wz7 n GLU 30 Cb 0.08 0.00 0.31 0.00 -0.02 0.00 0.00 31.44 31.81 1wz7 n GLU 30 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1wz7 h GLY 31 N 0.00 1.03 1.04 0.62 0.00 -0.91 0.74 103.07 105.58 1wz7 h GLY 31 Ca 0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 1wz7 h GLY 31 CO 0.00 0.28 0.06 -2.08 0.00 0.00 0.00 176.54 174.79 1wz7 h VAL 32 N 0.86 1.26 -0.60 4.60 2.07 -1.30 -2.85 116.25 120.29 1wz7 h VAL 32 Ca 0.31 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1wz7 h VAL 32 Cb 0.14 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1wz7 h VAL 32 CO -0.10 0.38 0.26 0.00 0.02 0.00 0.00 177.57 178.13 1wz7 n LYS 34 N -4.49 0.16 0.00 0.00 5.02 0.14 -0.73 118.16 118.26 1wz7 n LYS 34 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1wz7 n LYS 34 Cb 0.15 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 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 1.18 0.00 -0.05 2.13 9.36 -0.80 -0.16 117.16 128.81 1wz7 n TYR 36 Ca 0.00 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.14 1wz7 n TYR 36 Cb 0.08 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.77 1wz7 n TYR 36 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1wz7 h GLU 37 N 0.00 -0.25 -0.42 2.98 5.08 -1.21 0.40 114.58 121.15 1wz7 h GLU 37 Ca 0.00 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1wz7 h GLU 37 Cb 0.00 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1wz7 h GLU 37 CO 0.00 -0.17 0.28 0.93 -1.00 0.00 0.00 179.01 179.05 1wz7 h GLU 38 N -0.26 0.51 -0.66 2.33 4.39 -0.83 0.70 114.58 120.76 1wz7 h GLU 38 Ca 0.14 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 1wz7 h GLU 38 Cb 0.48 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1wz7 h GLU 38 CO -0.41 0.34 0.22 1.25 -1.16 0.00 0.00 179.01 179.25 1wz7 h HIS 39 N 0.52 1.05 -0.46 4.33 -0.00 -1.32 -2.11 115.15 117.17 1wz7 h HIS 39 Ca 0.16 -0.10 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 1wz7 h HIS 39 Cb 0.01 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.09 1wz7 h HIS 39 CO -0.00 0.84 0.23 -0.07 -0.00 0.00 0.00 177.93 178.94 1wz7 h LEU 40 N 0.96 0.59 -0.54 0.26 3.38 0.10 -3.04 115.31 117.02 1wz7 h LEU 40 Ca 0.22 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1wz7 h LEU 40 Cb 0.27 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1wz7 h LEU 40 CO -0.01 0.54 0.31 0.11 0.09 0.00 0.00 178.44 179.48 1wz7 h LYS 41 N 0.60 0.59 0.00 1.13 1.79 -0.71 -1.34 116.57 118.63 1wz7 h LYS 41 Ca 0.16 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1wz7 h LYS 41 Cb 0.09 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1wz7 h LYS 41 CO -0.02 0.39 0.00 0.54 -1.08 0.00 0.00 179.45 179.28 1wz7 n ARG 42 N -4.81 0.00 0.00 3.15 1.74 -0.82 -2.38 116.66 113.53 1wz7 n ARG 42 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1wz7 n ARG 42 Cb 0.10 -0.95 0.00 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 -0.11 0.00 -0.10 0.55 3.02 -0.51 -5.02 115.26 113.09 1wz7 n ASN 44 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1wz7 n ASN 44 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1wz7 n ASN 44 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1wz7 h PRO 45 N 0.00 -0.01 0.00 3.52 0.11 -1.74 -3.26 132.00 130.63 1wz7 h PRO 45 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1wz7 h PRO 45 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1wz7 h PRO 45 CO 0.00 -0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.88 1wz7 n ASN 46 N -3.56 0.00 0.00 -2.05 4.13 -1.26 -4.65 115.26 107.88 1wz7 n ASN 46 Ca 0.00 0.37 0.00 0.00 1.68 0.00 0.00 54.58 56.64 1wz7 n ASN 46 Cb 0.07 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 1wz7 n ASN 46 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1wz7 n SER 47 N -0.45 0.00 0.12 6.41 2.88 -1.23 -4.64 113.62 116.72 1wz7 n SER 47 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1wz7 n SER 47 Cb 0.00 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 63.94 1wz7 n SER 47 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1wz7 n PRO 48 N 0.00 0.18 -1.08 -1.46 -0.02 -1.26 -4.52 135.00 126.84 1wz7 n PRO 48 Ca 0.00 0.43 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 1wz7 n PRO 48 Cb 0.00 -1.85 0.12 0.00 -0.02 0.00 0.00 33.50 31.74 1wz7 n PRO 48 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1wz7 n SER 49 N -2.20 0.28 0.00 2.55 7.64 -1.26 -4.96 113.62 115.68 1wz7 n SER 49 Ca 0.02 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1wz7 n SER 49 Cb 0.21 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 61.99 1wz7 n SER 49 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1wz7 n ILE 50 N -3.22 0.00 -1.27 0.44 -6.64 -1.26 -5.09 119.36 102.32 1wz7 n ILE 50 Ca 0.12 0.00 -0.30 0.00 -1.77 0.00 0.00 62.75 60.80 1wz7 n ILE 50 Cb 0.51 0.31 0.12 0.00 -1.44 0.00 0.00 39.64 39.13 1wz7 n ILE 50 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1wz7 s THR 51 N 0.00 2.89 0.06 7.28 -4.23 -1.26 -5.06 115.64 115.32 1wz7 s THR 51 Ca 0.00 0.29 -0.12 0.00 -1.18 0.00 0.00 61.69 60.68 1wz7 s THR 51 Cb 0.00 -2.82 0.01 0.00 1.34 0.00 0.00 72.50 71.04 1wz7 s THR 51 CO 0.00 -0.38 0.26 -0.72 -0.54 0.00 0.00 174.62 173.24 1wz7 s TYR 52 N -2.96 -0.01 0.23 3.99 -0.85 -1.26 -5.16 117.35 111.33 1wz7 s TYR 52 Ca 0.62 -0.23 -0.09 0.00 -0.52 0.00 0.00 57.07 56.85 1wz7 s TYR 52 Cb -0.17 0.04 -0.07 0.00 0.38 0.00 0.00 41.96 42.14 1wz7 s TYR 52 CO 0.56 -0.51 0.55 0.34 -1.52 0.00 0.00 175.55 174.97 1wz7 s ASP 53 N -2.33 6.60 0.33 -0.18 -1.08 -1.26 -4.96 116.67 113.80 1wz7 s ASP 53 Ca -0.02 0.89 0.12 0.00 -0.52 0.00 0.00 52.55 53.02 1wz7 s ASP 53 Cb 0.01 -2.21 1.01 0.00 -1.46 0.00 0.00 42.92 40.26 1wz7 s ASP 53 CO -0.06 -0.08 1.67 0.40 0.52 0.00 0.00 175.17 177.62 1wz7 h ILE 54 N 1.93 0.34 -0.43 4.11 2.04 -2.01 0.48 117.51 123.98 1wz7 h ILE 54 Ca -0.47 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.34 1wz7 h ILE 54 Cb 1.17 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1wz7 h ILE 54 CO 0.69 0.06 0.29 -1.28 0.00 0.00 0.00 178.15 177.92 1wz7 h SER 55 N 0.36 0.25 -0.14 1.72 0.87 -2.01 -2.05 113.55 112.54 1wz7 h SER 55 Ca 0.70 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 61.23 1wz7 h SER 55 Cb 1.52 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 63.43 1wz7 h SER 55 CO -0.59 0.16 -0.03 1.56 -0.53 0.00 0.00 176.83 177.40 1wz7 h GLN 56 N 0.28 0.27 -0.58 2.24 4.20 -0.40 -3.12 115.11 118.02 1wz7 h GLN 56 Ca 0.19 -0.10 0.11 0.00 0.06 0.00 0.00 58.65 58.91 1wz7 h GLN 56 Cb 0.40 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.08 1wz7 h GLN 56 CO -0.04 0.55 0.11 1.25 -0.67 0.00 0.00 178.83 180.03 1wz7 h LEU 57 N -0.02 -0.02 -1.00 1.46 6.46 -1.32 -2.86 115.31 118.01 1wz7 h LEU 57 Ca 0.04 0.11 0.07 0.00 -0.12 0.00 0.00 57.88 57.97 1wz7 h LEU 57 Cb 0.44 0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 40.46 1wz7 h LEU 57 CO 0.01 0.00 0.64 -0.26 -0.62 0.00 0.00 178.44 178.22 1wz7 h PHE 58 N 0.24 1.19 -0.30 1.25 0.05 -1.43 -1.10 116.94 116.84 1wz7 h PHE 58 Ca 0.30 0.03 -0.16 0.00 3.82 0.00 0.00 57.97 61.96 1wz7 h PHE 58 Cb 0.44 -0.39 -0.01 0.00 2.00 0.00 0.00 35.95 37.99 1wz7 h PHE 58 CO -0.25 0.61 -0.44 -0.44 -0.18 0.00 0.00 178.31 177.61 1wz7 h ASP 59 N 1.17 0.82 -0.19 2.17 5.19 -1.49 -0.09 116.42 123.99 1wz7 h ASP 59 Ca 0.43 -0.39 0.04 0.00 -0.62 0.00 0.00 57.03 56.49 1wz7 h ASP 59 Cb 0.17 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.42 1wz7 h ASP 59 CO -0.18 1.14 -0.03 0.15 -3.12 0.00 0.00 179.24 177.21 1wz7 h PHE 60 N 0.61 -0.07 -0.15 4.55 3.57 -1.26 0.16 116.94 124.35 1wz7 h PHE 60 Ca 0.04 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1wz7 h PHE 60 Cb 1.00 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1wz7 h PHE 60 CO 0.05 -0.06 0.06 0.82 -2.23 0.00 0.00 178.31 176.95 1wz7 h ILE 61 N 0.02 0.97 -0.04 1.41 2.04 -0.91 -1.77 117.51 119.23 1wz7 h ILE 61 Ca 0.09 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1wz7 h ILE 61 Cb 0.13 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1wz7 h ILE 61 CO -0.18 0.02 0.04 0.44 0.00 0.00 0.00 178.15 178.47 1wz7 h ASP 62 N 0.13 0.00 1.12 1.72 3.32 -0.39 -2.18 116.42 120.14 1wz7 h ASP 62 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1wz7 h ASP 62 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1wz7 h ASP 62 CO -0.06 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 176.79 1wz7 n ASP 63 N -4.35 0.35 -4.76 6.45 -0.08 0.50 -4.84 116.55 109.82 1wz7 n ASP 63 Ca -0.02 0.54 -0.41 0.00 -1.51 0.00 0.00 54.79 53.39 1wz7 n ASP 63 Cb 0.13 -0.63 -0.03 0.00 2.34 0.00 0.00 41.12 42.93 1wz7 n ASP 63 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1wz7 s LEU 64 N -3.67 4.47 0.14 -2.67 1.43 -0.82 -4.91 118.68 112.65 1wz7 s LEU 64 Ca 0.12 2.52 -0.27 0.00 -1.03 0.00 0.00 54.13 55.46 1wz7 s LEU 64 Cb 0.15 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 1wz7 s LEU 64 CO 0.53 -0.39 1.59 0.00 0.23 0.00 0.00 176.35 178.32 1wz7 h ALA 65 N 3.61 -0.48 -2.57 4.21 0.00 0.22 -3.44 119.26 120.81 1wz7 h ALA 65 Ca -0.48 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1wz7 h ALA 65 Cb 1.22 0.70 -0.16 0.00 0.00 0.00 0.00 17.79 19.56 1wz7 h ALA 65 CO 0.66 -0.86 -0.25 0.34 0.00 0.00 0.00 179.25 179.14 1wz7 s ASP 66 N -4.90 -0.09 -0.29 0.00 2.15 0.17 -4.99 116.67 108.71 1wz7 s ASP 66 Ca -0.15 -0.28 -0.13 0.00 0.43 0.00 0.00 52.55 52.41 1wz7 s ASP 66 Cb 0.10 0.36 0.11 0.00 -0.30 0.00 0.00 42.92 43.19 1wz7 s ASP 66 CO 0.65 -0.66 0.68 -0.22 -0.17 0.00 0.00 175.17 175.46 1wz7 s LEU 67 N -2.27 -1.03 0.16 -1.34 2.96 -1.26 -1.00 118.68 114.91 1wz7 s LEU 67 Ca -0.03 1.51 -0.17 0.00 -0.22 0.00 0.00 54.13 55.23 1wz7 s LEU 67 Cb 0.00 2.32 0.03 0.00 0.50 0.00 0.00 46.19 49.04 1wz7 s LEU 67 CO -0.06 -0.22 0.46 -0.94 -1.32 0.00 0.00 176.35 174.27 1wz7 s SER 68 N 2.25 -0.24 0.07 3.68 1.04 -1.00 -3.13 113.70 116.36 1wz7 s SER 68 Ca -0.08 -0.41 0.02 0.00 0.48 0.00 0.00 55.95 55.96 1wz7 s SER 68 Cb -0.08 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 1wz7 s SER 68 CO -0.19 -0.95 -0.08 0.00 0.98 0.00 0.00 173.24 173.00 1wz7 s LEU 70 N -2.36 2.19 -0.15 0.00 1.43 0.39 0.10 118.68 120.28 1wz7 s LEU 70 Ca 0.02 -0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1wz7 s LEU 70 Cb -0.02 -1.48 -0.00 0.00 0.03 0.00 0.00 46.19 44.72 1wz7 s LEU 70 CO -0.02 0.07 -0.14 -0.69 0.23 0.00 0.00 176.35 175.80 1wz7 s VAL 71 N 0.90 2.81 0.19 -1.59 1.01 0.10 -0.02 120.40 123.80 1wz7 s VAL 71 Ca -0.05 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1wz7 s VAL 71 Cb -0.15 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.95 1wz7 s VAL 71 CO -0.03 0.51 1.34 -0.47 0.00 0.00 0.00 175.10 176.45 1wz7 s TYR 72 N 0.77 3.23 -0.24 5.22 5.04 -0.70 0.83 117.35 131.50 1wz7 s TYR 72 Ca -0.05 1.14 -0.05 0.00 -2.44 0.00 0.00 57.07 55.67 1wz7 s TYR 72 Cb -0.15 -3.64 -0.01 0.00 0.35 0.00 0.00 41.96 38.51 1wz7 s TYR 72 CO 0.01 -2.07 0.00 1.03 -1.34 0.00 0.00 175.55 173.18 1wz7 s ARG 73 N 0.10 3.32 0.00 4.97 0.52 0.49 -4.69 118.95 123.66 1wz7 s ARG 73 Ca 0.59 -0.68 0.08 0.00 -0.52 0.00 0.00 55.73 55.19 1wz7 s ARG 73 Cb -0.37 -3.14 0.46 0.00 0.52 0.00 0.00 34.95 32.42 1wz7 s ARG 73 CO 0.37 -0.27 0.89 0.00 0.02 0.00 0.00 175.30 176.31 1wz7 n ALA 74 N 4.82 1.98 -0.09 2.13 0.00 -1.26 -0.95 120.51 127.14 1wz7 n ALA 74 Ca -0.17 -0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.14 1wz7 n ALA 74 Cb 0.50 -1.13 -0.16 0.00 0.00 0.00 0.00 19.45 18.66 1wz7 n ALA 74 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wz7 n ASP 75 N -0.78 0.01 0.00 0.00 5.68 -1.26 -4.46 116.55 115.74 1wz7 n ASP 75 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1wz7 n ASP 75 Cb 0.03 1.08 0.00 0.00 -1.14 0.00 0.00 41.12 41.08 1wz7 n ASP 75 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1wz7 n THR 76 N -2.71 0.09 -3.82 2.12 -2.24 -1.14 -5.01 114.28 101.58 1wz7 n THR 76 Ca -0.30 -0.47 -0.24 0.00 -2.27 0.00 0.00 64.05 60.77 1wz7 n THR 76 Cb 1.11 1.10 0.01 0.00 -2.10 0.00 0.00 70.33 70.44 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 -0.05 -3.96 -4.26 -0.78 6.02 -0.12 -4.97 117.38 109.26 1wz7 n GLN 77 Ca 0.00 0.51 -0.17 0.00 -0.01 0.00 0.00 57.00 57.33 1wz7 n GLN 77 Cb 0.07 -4.82 -0.09 0.00 1.02 0.00 0.00 30.24 26.42 1wz7 n GLN 77 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1wz7 s THR 78 N -3.80 0.03 -0.19 5.09 -4.23 -1.22 -4.95 115.64 106.37 1wz7 s THR 78 Ca 0.02 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.49 1wz7 s THR 78 Cb -0.01 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.31 1wz7 s THR 78 CO 0.85 0.00 -0.02 -0.31 -0.54 0.00 0.00 174.62 174.60 1wz7 s TYR 79 N -3.68 3.02 -0.18 3.99 1.51 -1.26 -0.38 117.35 120.37 1wz7 s TYR 79 Ca 0.40 -0.46 -0.24 0.00 -1.01 0.00 0.00 57.07 55.75 1wz7 s TYR 79 Cb 0.04 -2.05 -0.02 0.00 -0.11 0.00 0.00 41.96 39.83 1wz7 s TYR 79 CO 0.22 -0.21 0.79 -1.14 -1.11 0.00 0.00 175.55 174.09 1wz7 s GLN 80 N 0.86 4.27 0.08 -0.62 2.00 0.24 -4.76 119.66 121.73 1wz7 s GLN 80 Ca 0.00 0.92 -0.20 0.00 -2.00 0.00 0.00 55.36 54.08 1wz7 s GLN 80 Cb -0.14 -3.58 -0.07 0.00 0.80 0.00 0.00 33.01 30.02 1wz7 s GLN 80 CO 0.02 -0.32 0.59 -1.25 -0.50 0.00 0.00 175.29 173.82 1wz7 s PRO 81 N 2.14 4.24 0.05 1.67 0.04 -1.26 -0.72 135.00 141.15 1wz7 s PRO 81 Ca 0.36 0.77 0.05 0.00 0.04 0.00 0.00 61.00 62.22 1wz7 s PRO 81 Cb -0.16 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 1wz7 s PRO 81 CO 0.12 0.62 -0.14 0.71 0.04 0.00 0.00 177.00 178.34 1wz7 s TYR 82 N -1.06 1.25 0.53 0.56 1.51 0.12 -4.99 117.35 115.27 1wz7 s TYR 82 Ca 0.30 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.96 1wz7 s TYR 82 Cb -0.20 -0.73 0.11 0.00 -0.11 0.00 0.00 41.96 41.03 1wz7 s TYR 82 CO 0.19 0.05 0.73 0.27 -1.11 0.00 0.00 175.55 175.68 1wz7 n ASN 83 N 1.69 0.90 -0.31 2.29 0.23 -1.26 -1.14 115.26 117.66 1wz7 n ASN 83 Ca -0.19 -1.78 0.02 0.00 -0.53 0.00 0.00 54.58 52.10 1wz7 n ASN 83 Cb 0.54 -0.48 0.16 0.00 -2.08 0.00 0.00 39.78 37.92 1wz7 n ASN 83 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1wz7 h LYS 84 N 0.00 0.91 -0.47 -3.83 1.57 -1.96 -1.41 116.57 111.38 1wz7 h LYS 84 Ca -0.24 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.40 1wz7 h LYS 84 Cb 0.87 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1wz7 h LYS 84 CO 0.25 0.60 -0.04 -0.44 -0.57 0.00 0.00 179.45 179.26 1wz7 h ASP 85 N 0.94 0.77 -0.48 0.86 3.32 -1.95 -0.17 116.42 119.71 1wz7 h ASP 85 Ca 0.39 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 1wz7 h ASP 85 Cb 0.24 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1wz7 h ASP 85 CO -0.20 0.86 -0.17 -0.25 -1.72 0.00 0.00 179.24 177.76 1wz7 h TRP 86 N 0.73 1.11 -0.05 4.55 7.01 -1.77 -2.13 115.95 125.40 1wz7 h TRP 86 Ca 0.14 -0.25 -0.00 0.00 2.11 0.00 0.00 58.89 60.89 1wz7 h TRP 86 Cb 0.50 -0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 27.29 1wz7 h TRP 86 CO 0.03 1.06 0.03 0.82 -2.79 0.00 0.00 178.44 177.58 1wz7 h ILE 87 N 0.86 1.09 -0.90 2.65 2.04 -0.65 -1.23 117.51 121.36 1wz7 h ILE 87 Ca 0.12 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1wz7 h ILE 87 Cb 0.73 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 1wz7 h ILE 87 CO 0.06 0.08 0.60 0.11 0.00 0.00 0.00 178.15 178.99 1wz7 h LYS 88 N -0.02 1.18 -0.13 2.37 1.57 -1.01 -0.31 116.57 120.22 1wz7 h LYS 88 Ca 0.02 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1wz7 h LYS 88 Cb 0.10 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1wz7 h LYS 88 CO -0.00 0.78 0.08 1.49 -0.57 0.00 0.00 179.45 181.23 1wz7 h GLU 89 N 1.22 0.18 -0.73 3.15 4.57 -1.15 0.16 114.58 121.98 1wz7 h GLU 89 Ca 0.33 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.49 1wz7 h GLU 89 Cb -0.13 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 1wz7 h GLU 89 CO -0.08 0.16 0.42 -0.22 -1.18 0.00 0.00 179.01 178.11 1wz7 h LYS 90 N 0.15 1.01 -0.42 1.92 1.63 -0.89 -1.06 116.57 118.91 1wz7 h LYS 90 Ca 0.05 -0.11 -0.08 0.00 -0.85 0.00 0.00 60.65 59.67 1wz7 h LYS 90 Cb 0.02 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.43 1wz7 h LYS 90 CO -0.01 0.73 -0.04 0.82 -3.45 0.00 0.00 179.45 177.50 1wz7 h ILE 91 N 1.00 1.27 -0.36 2.00 2.04 -0.85 -1.41 117.51 121.21 1wz7 h ILE 91 Ca 0.26 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 65.06 1wz7 h ILE 91 Cb 0.00 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1wz7 h ILE 91 CO -0.05 0.37 0.13 0.22 0.00 0.00 0.00 178.15 178.83 1wz7 h TYR 92 N 0.60 0.24 -0.26 1.37 3.20 -0.31 0.60 116.97 122.41 1wz7 h TYR 92 Ca 0.11 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 1wz7 h TYR 92 Cb 0.54 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1wz7 h TYR 92 CO 0.04 0.11 -0.14 0.28 -1.64 0.00 0.00 178.16 176.81 1wz7 h VAL 93 N 0.29 1.22 -0.08 1.81 2.07 -1.11 -3.04 116.25 117.42 1wz7 h VAL 93 Ca 0.16 -1.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.60 1wz7 h VAL 93 Cb 0.12 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1wz7 h VAL 93 CO -0.15 0.32 -0.28 0.25 0.02 0.00 0.00 177.57 177.73 1wz7 h LEU 94 N 0.40 0.39 -4.72 2.57 5.85 -0.41 -3.27 115.31 116.13 1wz7 h LEU 94 Ca 0.08 -0.62 -0.34 0.00 0.84 0.00 0.00 57.88 57.84 1wz7 h LEU 94 Cb 0.48 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1wz7 h LEU 94 CO 0.03 0.94 1.53 0.18 -0.34 0.00 0.00 178.44 180.78 1wz7 n LEU 95 N -4.46 5.52 0.00 2.25 4.77 0.20 -2.23 117.00 123.05 1wz7 n LEU 95 Ca -0.08 -3.13 0.00 0.00 -0.03 0.00 0.00 56.01 52.77 1wz7 n LEU 95 Cb 0.47 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1wz7 n LEU 95 CO 0.41 1.30 0.00 0.54 -1.33 0.00 0.00 177.39 178.31 1wz7 n ARG 96 N 3.25 1.92 -1.28 3.23 1.74 -1.23 -4.84 116.66 119.45 1wz7 n ARG 96 Ca 0.48 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 57.16 1wz7 n ARG 96 Cb 0.45 -0.38 -0.03 0.00 -1.02 0.00 0.00 32.46 31.48 1wz7 n ARG 96 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wz7 n ARG 97 N -0.29 2.10 0.00 5.56 1.74 -0.95 -5.16 116.66 119.66 1wz7 n ARG 97 Ca 0.00 -2.04 0.00 0.00 -0.77 0.00 0.00 57.85 55.04 1wz7 n ARG 97 Cb 0.00 -2.96 0.00 0.00 -1.02 0.00 0.00 32.46 28.48 1wz7 n ARG 97 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05