#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wz7 n THR -1 N 0.00 0.04 0.00 0.00 -1.04 -1.26 -5.05 114.28 106.97 1wz7 n THR -1 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1wz7 n THR -1 Cb 0.00 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 1wz7 n THR -1 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1wz7 n SER 2 N 0.65 0.00 -4.57 8.00 7.64 -1.14 -4.74 113.62 119.45 1wz7 n SER 2 Ca 0.00 0.00 -0.51 0.00 1.01 0.00 0.00 58.87 59.37 1wz7 n SER 2 Cb 0.04 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.19 1wz7 n SER 2 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1wz7 n HIS 3 N 0.00 1.25 -4.63 1.43 -0.00 -1.23 -3.41 115.22 108.63 1wz7 n HIS 3 Ca 0.00 0.71 -0.23 0.00 0.46 0.00 0.00 57.72 58.66 1wz7 n HIS 3 Cb 0.00 -2.27 -0.15 0.00 -0.12 0.00 0.00 29.99 27.45 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 0.01 1.11 -0.18 3.57 2.01 0.90 -1.35 115.64 121.71 1wz7 s THR 4 Ca 0.78 -0.57 -0.02 0.00 0.31 0.00 0.00 61.69 62.19 1wz7 s THR 4 Cb -0.92 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 1wz7 s THR 4 CO 0.51 0.32 -0.09 -0.63 -0.69 0.00 0.00 174.62 174.04 1wz7 s ILE 5 N -0.09 3.14 -0.24 1.82 1.01 0.10 -1.08 121.20 125.87 1wz7 s ILE 5 Ca 0.01 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 1wz7 s ILE 5 Cb -0.08 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 1wz7 s ILE 5 CO 0.00 0.47 0.17 -0.22 0.00 0.00 0.00 174.94 175.37 1wz7 s LEU 6 N 1.03 4.12 -0.22 2.97 2.96 -0.61 -0.23 118.68 128.69 1wz7 s LEU 6 Ca -0.00 0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 54.00 1wz7 s LEU 6 Cb -0.15 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 1wz7 s LEU 6 CO -0.01 0.06 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.31 1wz7 s LEU 7 N 1.03 3.08 -0.16 -0.68 1.43 0.11 -2.05 118.68 121.44 1wz7 s LEU 7 Ca 0.08 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1wz7 s LEU 7 Cb -0.13 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 1wz7 s LEU 7 CO 0.04 -0.01 -0.12 -0.69 0.23 0.00 0.00 176.35 175.80 1wz7 s VAL 8 N 1.41 2.92 -0.41 -1.59 1.01 0.25 -1.63 120.40 122.37 1wz7 s VAL 8 Ca 0.05 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1wz7 s VAL 8 Cb -0.14 -2.26 0.12 0.00 0.00 0.00 0.00 36.38 34.10 1wz7 s VAL 8 CO -0.01 0.50 0.18 -1.58 0.00 0.00 0.00 175.10 174.19 1wz7 s GLN 9 N 0.85 1.34 0.17 2.72 0.74 0.25 -1.12 119.66 124.61 1wz7 s GLN 9 Ca -0.04 -1.91 -0.12 0.00 0.05 0.00 0.00 55.36 53.35 1wz7 s GLN 9 Cb -0.15 -2.62 0.07 0.00 1.10 0.00 0.00 33.01 31.41 1wz7 s GLN 9 CO 0.00 -1.07 1.71 -1.00 -0.55 0.00 0.00 175.29 174.38 1wz7 h PRO 10 N 7.13 0.90 -5.24 1.67 0.13 -1.80 0.15 132.00 134.96 1wz7 h PRO 10 Ca -0.06 -0.18 -0.46 0.00 -0.87 0.00 0.00 66.00 64.44 1wz7 h PRO 10 Cb 0.96 -0.14 -0.14 0.00 0.13 0.00 0.00 31.00 31.81 1wz7 h PRO 10 CO 0.53 0.79 -0.63 0.95 -0.23 0.00 0.00 178.00 179.41 1wz7 s THR 11 N -5.47 1.21 -0.96 1.56 -4.23 -1.26 -2.00 115.64 104.49 1wz7 s THR 11 Ca -0.13 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 1wz7 s THR 11 Cb 0.13 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1wz7 s THR 11 CO 0.80 -0.10 0.99 0.29 -0.54 0.00 0.00 174.62 176.06 1wz7 n LYS 12 N -0.62 0.00 -3.32 3.99 4.76 -1.26 -4.72 118.16 116.99 1wz7 n LYS 12 Ca -0.03 0.48 -0.18 0.00 -2.87 0.00 0.00 58.31 55.71 1wz7 n LYS 12 Cb 0.66 -1.52 -0.00 0.00 -1.84 0.00 0.00 35.03 32.32 1wz7 n LYS 12 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1wz7 s ARG 13 N -2.97 2.97 0.01 1.97 1.70 -1.26 -5.00 118.95 116.38 1wz7 s ARG 13 Ca -0.00 -1.13 0.12 0.00 -0.47 0.00 0.00 55.73 54.25 1wz7 s ARG 13 Cb 0.00 -2.77 0.52 0.00 -0.57 0.00 0.00 34.95 32.14 1wz7 s ARG 13 CO 0.00 -0.07 1.39 -2.30 -1.08 0.00 0.00 175.30 173.24 1wz7 n PRO 14 N -1.70 0.01 -2.99 3.89 -0.02 -1.26 -4.75 135.00 128.16 1wz7 n PRO 14 Ca 0.03 0.30 -0.39 0.00 -2.02 0.00 0.00 63.50 61.42 1wz7 n PRO 14 Cb 0.59 -1.51 -0.06 0.00 -0.02 0.00 0.00 33.50 32.50 1wz7 n PRO 14 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1wz7 s GLU 15 N -3.01 4.53 0.00 -0.52 8.01 -1.26 -3.97 118.70 122.48 1wz7 s GLU 15 Ca 0.06 1.12 0.00 0.00 0.01 0.00 0.00 54.97 56.15 1wz7 s GLU 15 Cb 0.08 -3.29 0.00 0.00 -4.31 0.00 0.00 34.13 26.61 1wz7 s GLU 15 CO 0.22 0.50 0.00 0.41 0.01 0.00 0.00 175.26 176.40 1wz7 n GLY 16 N 1.80 0.85 3.70 -1.39 0.00 -1.26 -4.64 105.19 104.26 1wz7 n GLY 16 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.16 4.31 0.16 1.61 0.52 -1.25 -4.54 118.95 119.59 1wz7 s ARG 17 Ca 0.00 2.00 0.02 0.00 -0.52 0.00 0.00 55.73 57.24 1wz7 s ARG 17 Cb 0.00 -3.44 -0.05 0.00 0.52 0.00 0.00 34.95 31.99 1wz7 s ARG 17 CO 0.00 -0.50 -0.03 -0.08 0.02 0.00 0.00 175.30 174.71 1wz7 s THR 18 N 1.82 0.80 0.19 0.02 -1.32 -0.28 -4.99 115.64 111.87 1wz7 s THR 18 Ca 0.64 -1.99 -0.06 0.00 -1.21 0.00 0.00 61.69 59.07 1wz7 s THR 18 Cb -0.34 -2.00 -0.02 0.00 -1.51 0.00 0.00 72.50 68.63 1wz7 s THR 18 CO 0.28 -0.59 0.25 -0.72 -2.21 0.00 0.00 174.62 171.63 1wz7 s TYR 19 N -3.57 0.71 0.02 9.09 -0.85 -1.26 -0.58 117.35 120.91 1wz7 s TYR 19 Ca 0.21 -1.03 -0.04 0.00 -0.52 0.00 0.00 57.07 55.69 1wz7 s TYR 19 Cb 0.05 -0.23 -0.01 0.00 0.38 0.00 0.00 41.96 42.16 1wz7 s TYR 19 CO 0.02 -0.73 0.05 0.00 -1.52 0.00 0.00 175.55 173.37 1wz7 s ALA 20 N -4.06 -0.08 -0.10 9.51 0.00 -0.87 -4.99 121.76 121.18 1wz7 s ALA 20 Ca 0.27 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.80 1wz7 s ALA 20 Cb 0.04 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 1wz7 s ALA 20 CO 0.07 -0.20 -0.02 -0.51 0.00 0.00 0.00 175.76 175.09 1wz7 s ASP 21 N -1.55 5.04 0.05 0.00 1.11 -1.26 -1.58 116.67 118.49 1wz7 s ASP 21 Ca -0.14 0.06 0.01 0.00 0.18 0.00 0.00 52.55 52.66 1wz7 s ASP 21 Cb -0.08 -1.47 -0.03 0.00 1.07 0.00 0.00 42.92 42.41 1wz7 s ASP 21 CO -0.01 0.33 -0.06 -0.31 1.18 0.00 0.00 175.17 176.31 1wz7 s TYR 22 N -0.61 0.62 -0.86 4.23 2.02 -0.24 -4.99 117.35 117.51 1wz7 s TYR 22 Ca 0.10 -0.69 0.26 0.00 -0.37 0.00 0.00 57.07 56.37 1wz7 s TYR 22 Cb -0.12 -0.39 1.01 0.00 -0.40 0.00 0.00 41.96 42.07 1wz7 s TYR 22 CO 0.02 -0.16 1.82 -0.85 -1.57 0.00 0.00 175.55 174.81 1wz7 n GLU 23 N 0.92 0.11 -3.74 -0.62 0.28 -1.26 -0.07 120.64 116.27 1wz7 n GLU 23 Ca -0.19 0.13 -0.09 0.00 -0.16 0.00 0.00 57.16 56.85 1wz7 n GLU 23 Cb 0.57 -1.64 -0.03 0.00 1.43 0.00 0.00 31.44 31.77 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 -3.67 -0.32 0.30 -1.84 1.04 -1.22 -2.90 113.70 105.09 1wz7 s SER 24 Ca 0.12 -0.46 -0.01 0.00 0.48 0.00 0.00 55.95 56.08 1wz7 s SER 24 Cb 0.15 0.65 0.45 0.00 0.10 0.00 0.00 66.02 67.37 1wz7 s SER 24 CO 0.53 -1.17 1.87 0.58 0.98 0.00 0.00 173.24 176.03 1wz7 h VAL 25 N 2.07 1.21 0.07 5.02 2.07 -1.85 -1.34 116.25 123.50 1wz7 h VAL 25 Ca -0.25 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 1wz7 h VAL 25 Cb 1.27 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1wz7 h VAL 25 CO 0.31 0.27 -0.04 0.78 0.02 0.00 0.00 177.57 178.91 1wz7 h ASN 26 N 0.83 -0.08 -0.91 0.57 4.21 -1.94 -2.74 115.58 115.52 1wz7 h ASN 26 Ca 0.20 -0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.63 1wz7 h ASN 26 Cb 0.18 0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 37.36 1wz7 h ASN 26 CO -0.02 0.01 0.54 -0.08 -1.29 0.00 0.00 177.43 176.59 1wz7 h GLU 27 N -0.17 1.24 -0.81 0.81 4.81 -1.93 -1.78 114.58 116.75 1wz7 h GLU 27 Ca -0.01 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1wz7 h GLU 27 Cb 0.14 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1wz7 h GLU 27 CO 0.02 0.88 0.00 0.00 -0.73 0.00 0.00 179.01 179.18 1wz7 n GLU 30 N 0.69 0.00 -0.19 0.00 1.02 -0.67 -1.50 120.64 119.99 1wz7 n GLU 30 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1wz7 n GLU 30 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.52 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 1.08 0.93 0.62 0.00 -1.30 0.31 103.07 104.71 1wz7 h GLY 31 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 1wz7 h GLY 31 CO 0.00 0.64 0.11 -2.08 0.00 0.00 0.00 176.54 175.21 1wz7 h VAL 32 N 0.94 1.14 -0.74 4.60 2.07 -1.54 -2.75 116.25 119.96 1wz7 h VAL 32 Ca 0.19 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1wz7 h VAL 32 Cb 0.40 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1wz7 h VAL 32 CO 0.01 0.13 0.32 0.00 0.02 0.00 0.00 177.57 178.05 1wz7 n LYS 34 N -4.30 0.30 0.00 0.00 5.02 0.11 -1.05 118.16 118.23 1wz7 n LYS 34 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1wz7 n LYS 34 Cb 0.16 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 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 1.31 0.00 -0.24 2.13 9.36 -0.99 -0.97 117.16 127.76 1wz7 n TYR 36 Ca 0.00 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.25 1wz7 n TYR 36 Cb 0.15 0.00 0.16 0.00 -0.63 0.00 0.00 39.34 39.01 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 0.45 -0.64 2.98 4.57 -1.39 0.82 114.58 121.37 1wz7 h GLU 37 Ca 0.00 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 1wz7 h GLU 37 Cb 0.00 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 1wz7 h GLU 37 CO 0.00 0.30 0.23 0.93 -1.18 0.00 0.00 179.01 179.29 1wz7 h GLU 38 N 0.46 0.94 -0.62 1.92 4.39 -1.32 0.15 114.58 120.50 1wz7 h GLU 38 Ca 0.37 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 1wz7 h GLU 38 Cb 0.51 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1wz7 h GLU 38 CO -0.35 0.78 0.26 1.25 -1.16 0.00 0.00 179.01 179.79 1wz7 h HIS 39 N 0.92 0.93 -0.60 4.33 -0.00 -1.27 -2.74 115.15 116.73 1wz7 h HIS 39 Ca 0.21 -0.06 -0.09 0.00 -0.00 0.00 0.00 60.37 60.43 1wz7 h HIS 39 Cb 0.21 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 1wz7 h HIS 39 CO 0.02 0.73 0.01 -0.07 -0.00 0.00 0.00 177.93 178.62 1wz7 h LEU 40 N 0.86 1.01 -2.20 0.26 3.38 -0.09 -2.61 115.31 115.92 1wz7 h LEU 40 Ca 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1wz7 h LEU 40 Cb 0.18 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1wz7 h LEU 40 CO -0.02 1.05 -0.06 0.11 0.09 0.00 0.00 178.44 179.61 1wz7 h LYS 41 N 0.95 0.00 -1.52 1.13 1.57 -0.57 -2.48 116.57 115.65 1wz7 h LYS 41 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1wz7 h LYS 41 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1wz7 h LYS 41 CO 0.03 0.06 0.00 0.54 -0.57 0.00 0.00 179.45 179.51 1wz7 n ARG 42 N -3.59 0.85 -0.60 3.15 1.74 -0.99 -2.47 116.66 114.75 1wz7 n ARG 42 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1wz7 n ARG 42 Cb 0.17 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 1wz7 n ARG 42 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1wz7 n ASN 44 N 1.01 -1.10 0.26 0.55 2.85 -0.94 -5.07 115.26 112.82 1wz7 n ASN 44 Ca 0.00 -0.76 0.16 0.00 -0.11 0.00 0.00 54.58 53.88 1wz7 n ASN 44 Cb 0.42 -0.30 0.86 0.00 1.24 0.00 0.00 39.78 42.01 1wz7 n ASN 44 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1wz7 h PRO 45 N 5.19 0.00 -0.01 1.20 0.11 -1.79 -2.88 132.00 133.82 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 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1wz7 h PRO 45 CO 0.55 0.00 -0.71 0.09 -0.21 0.00 0.00 178.00 177.72 1wz7 n ASN 46 N -2.66 1.56 -4.79 -2.05 4.13 -1.26 -4.96 115.26 105.23 1wz7 n ASN 46 Ca -0.02 -1.28 -0.39 0.00 1.68 0.00 0.00 54.58 54.57 1wz7 n ASN 46 Cb 0.11 0.71 -0.06 0.00 -1.54 0.00 0.00 39.78 39.00 1wz7 n ASN 46 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1wz7 s SER 47 N -2.71 7.05 0.20 6.41 0.15 -1.09 -4.99 113.70 118.72 1wz7 s SER 47 Ca 0.14 1.25 -0.07 0.00 0.70 0.00 0.00 55.95 57.97 1wz7 s SER 47 Cb 0.17 -2.37 0.13 0.00 -1.71 0.00 0.00 66.02 62.24 1wz7 s SER 47 CO 0.70 0.22 1.64 -0.65 1.20 0.00 0.00 173.24 176.35 1wz7 h PRO 48 N 4.86 0.95 -2.53 5.44 0.11 -1.93 -3.45 132.00 135.46 1wz7 h PRO 48 Ca -0.48 -0.33 -0.09 0.00 0.11 0.00 0.00 66.00 65.20 1wz7 h PRO 48 Cb 1.21 -0.07 -0.21 0.00 0.11 0.00 0.00 31.00 32.04 1wz7 h PRO 48 CO 0.65 1.00 -0.09 -1.54 -0.21 0.00 0.00 178.00 177.81 1wz7 s SER 49 N -6.66 -0.47 -0.17 -2.05 1.04 -1.26 -5.11 113.70 99.03 1wz7 s SER 49 Ca -0.11 0.70 -0.00 0.00 0.48 0.00 0.00 55.95 57.03 1wz7 s SER 49 Cb 0.13 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.99 1wz7 s SER 49 CO 0.85 -0.35 -0.15 -0.63 0.98 0.00 0.00 173.24 173.94 1wz7 s ILE 50 N -0.50 2.63 0.63 -1.02 1.01 -1.26 -5.11 121.20 117.57 1wz7 s ILE 50 Ca -0.06 -0.77 -0.10 0.00 0.00 0.00 0.00 60.65 59.72 1wz7 s ILE 50 Cb -0.03 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 1wz7 s ILE 50 CO 0.04 0.51 1.00 -0.89 0.00 0.00 0.00 174.94 175.60 1wz7 s THR 51 N 1.01 4.11 0.18 2.92 2.01 -1.26 -4.97 115.64 119.65 1wz7 s THR 51 Ca -0.02 0.50 -0.23 0.00 0.31 0.00 0.00 61.69 62.26 1wz7 s THR 51 Cb -0.15 -3.66 0.06 0.00 0.01 0.00 0.00 72.50 68.77 1wz7 s THR 51 CO -0.03 -0.81 0.63 -0.72 -0.69 0.00 0.00 174.62 173.00 1wz7 s TYR 52 N -3.16 -0.47 0.28 4.92 -0.85 -1.26 -5.16 117.35 111.65 1wz7 s TYR 52 Ca 0.55 0.22 -0.00 0.00 -0.52 0.00 0.00 57.07 57.32 1wz7 s TYR 52 Cb -0.11 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.78 1wz7 s TYR 52 CO 0.51 -0.92 0.47 0.16 -1.52 0.00 0.00 175.55 174.25 1wz7 s ASP 53 N -2.78 6.35 0.44 -0.18 1.47 -1.26 -4.99 116.67 115.72 1wz7 s ASP 53 Ca 0.03 0.42 0.11 0.00 1.18 0.00 0.00 52.55 54.30 1wz7 s ASP 53 Cb -0.02 -2.02 0.99 0.00 -0.34 0.00 0.00 42.92 41.54 1wz7 s ASP 53 CO -0.09 -0.17 2.04 -0.29 0.68 0.00 0.00 175.17 177.33 1wz7 h ILE 54 N 1.15 1.00 -0.14 2.11 2.10 -2.01 -2.30 117.51 119.41 1wz7 h ILE 54 Ca -0.49 -0.14 -0.03 0.00 1.08 0.00 0.00 64.86 65.28 1wz7 h ILE 54 Cb 1.21 0.54 -0.01 0.00 -1.09 0.00 0.00 36.82 37.47 1wz7 h ILE 54 CO 0.64 0.08 -0.05 0.28 -1.08 0.00 0.00 178.15 178.02 1wz7 h SER 55 N 0.42 0.19 -0.09 2.19 0.02 -1.98 0.22 113.55 114.52 1wz7 h SER 55 Ca 0.19 -0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 1wz7 h SER 55 Cb 0.23 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.72 1wz7 h SER 55 CO -0.05 0.28 -0.54 1.56 -1.14 0.00 0.00 176.83 176.95 1wz7 h GLN 56 N 0.21 0.51 -0.41 3.45 4.20 -1.82 -0.88 115.11 120.37 1wz7 h GLN 56 Ca 0.05 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1wz7 h GLN 56 Cb 0.23 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1wz7 h GLN 56 CO 0.01 1.07 0.26 1.25 -0.67 0.00 0.00 178.83 180.76 1wz7 h LEU 57 N 0.10 0.48 -0.91 1.46 6.46 -1.32 0.61 115.31 122.20 1wz7 h LEU 57 Ca -0.04 -0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.60 1wz7 h LEU 57 Cb 1.19 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.98 1wz7 h LEU 57 CO 0.11 0.37 -0.17 -0.26 -0.62 0.00 0.00 178.44 177.87 1wz7 h PHE 58 N 0.55 0.68 -0.73 1.25 0.04 -0.58 0.42 116.94 118.57 1wz7 h PHE 58 Ca 0.15 -0.13 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 1wz7 h PHE 58 Cb -0.04 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 1wz7 h PHE 58 CO -0.04 0.75 0.22 0.22 -0.60 0.00 0.00 178.31 178.85 1wz7 h ASP 59 N 0.56 1.07 -0.04 2.17 -0.00 -0.82 0.03 116.42 119.39 1wz7 h ASP 59 Ca 0.09 -0.21 -0.00 0.00 -0.00 0.00 0.00 57.03 56.91 1wz7 h ASP 59 Cb 0.60 -0.28 -0.00 0.00 -0.00 0.00 0.00 39.33 39.65 1wz7 h ASP 59 CO 0.04 1.00 0.02 0.15 -0.00 0.00 0.00 179.24 180.45 1wz7 h PHE 60 N 1.09 0.05 -0.96 0.28 3.57 -0.15 -1.34 116.94 119.47 1wz7 h PHE 60 Ca 0.23 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.78 1wz7 h PHE 60 Cb 0.32 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 1wz7 h PHE 60 CO 0.03 0.16 0.63 0.82 -2.23 0.00 0.00 178.31 177.71 1wz7 h ILE 61 N -0.07 1.14 0.00 1.41 2.04 -0.67 -1.43 117.51 119.93 1wz7 h ILE 61 Ca 0.01 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 1wz7 h ILE 61 Cb 0.13 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.06 1wz7 h ILE 61 CO -0.00 0.22 -0.12 0.44 0.00 0.00 0.00 178.15 178.68 1wz7 h ASP 62 N 1.18 0.00 1.26 1.72 3.32 -0.53 -2.58 116.42 120.79 1wz7 h ASP 62 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1wz7 h ASP 62 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1wz7 h ASP 62 CO -0.13 0.12 0.00 0.47 -1.72 0.00 0.00 179.24 177.98 1wz7 n ASP 63 N -3.38 0.55 -4.77 6.45 8.00 -0.55 -4.80 116.55 118.05 1wz7 n ASP 63 Ca -0.01 0.56 -0.38 0.00 0.71 0.00 0.00 54.79 55.67 1wz7 n ASP 63 Cb 0.31 -0.70 -0.05 0.00 -0.02 0.00 0.00 41.12 40.66 1wz7 n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wz7 s LEU 64 N -4.05 4.31 0.35 0.64 1.43 -0.98 -4.91 118.68 115.47 1wz7 s LEU 64 Ca 0.11 2.07 0.03 0.00 -1.03 0.00 0.00 54.13 55.31 1wz7 s LEU 64 Cb 0.14 -3.98 0.64 0.00 0.03 0.00 0.00 46.19 43.02 1wz7 s LEU 64 CO 0.56 -0.30 1.98 0.00 0.23 0.00 0.00 176.35 178.82 1wz7 h ALA 65 N 3.03 1.58 -2.00 4.21 0.00 -0.40 -3.45 119.26 122.25 1wz7 h ALA 65 Ca -0.47 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.45 1wz7 h ALA 65 Cb 1.21 -0.25 -0.19 0.00 0.00 0.00 0.00 17.79 18.57 1wz7 h ALA 65 CO 0.64 0.35 0.42 0.34 0.00 0.00 0.00 179.25 181.01 1wz7 s ASP 66 N -6.34 -0.45 -0.11 0.00 2.15 0.35 -4.99 116.67 107.29 1wz7 s ASP 66 Ca -0.10 0.31 -0.05 0.00 0.43 0.00 0.00 52.55 53.14 1wz7 s ASP 66 Cb 0.18 0.40 0.05 0.00 -0.30 0.00 0.00 42.92 43.26 1wz7 s ASP 66 CO 0.77 -0.54 0.25 -0.22 -0.17 0.00 0.00 175.17 175.27 1wz7 s LEU 67 N -1.68 0.34 0.23 -1.34 2.96 -1.26 -0.59 118.68 117.34 1wz7 s LEU 67 Ca -0.01 0.54 -0.17 0.00 -0.22 0.00 0.00 54.13 54.27 1wz7 s LEU 67 Cb -0.01 0.75 0.02 0.00 0.50 0.00 0.00 46.19 47.45 1wz7 s LEU 67 CO -0.01 -0.17 0.54 -0.94 -1.32 0.00 0.00 176.35 174.45 1wz7 s SER 68 N 1.35 -0.21 0.08 3.68 1.04 -0.64 -2.28 113.70 116.72 1wz7 s SER 68 Ca -0.09 -0.63 -0.01 0.00 0.48 0.00 0.00 55.95 55.71 1wz7 s SER 68 Cb -0.10 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 1wz7 s SER 68 CO -0.09 -1.13 -0.02 0.00 0.98 0.00 0.00 173.24 172.99 1wz7 s LEU 70 N -2.97 1.50 -0.17 0.00 1.43 0.68 -0.57 118.68 118.58 1wz7 s LEU 70 Ca 0.12 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1wz7 s LEU 70 Cb 0.07 -0.77 0.01 0.00 0.03 0.00 0.00 46.19 45.53 1wz7 s LEU 70 CO -0.06 -0.01 -0.16 -0.69 0.23 0.00 0.00 176.35 175.65 1wz7 s VAL 71 N 0.91 2.47 0.24 -1.59 1.01 0.95 0.02 120.40 124.40 1wz7 s VAL 71 Ca -0.10 -0.82 -0.31 0.00 0.00 0.00 0.00 61.98 60.75 1wz7 s VAL 71 Cb -0.15 -2.05 -0.11 0.00 0.00 0.00 0.00 36.38 34.08 1wz7 s VAL 71 CO 0.01 0.52 1.57 -0.47 0.00 0.00 0.00 175.10 176.73 1wz7 s TYR 72 N 1.04 2.92 -0.25 5.22 5.04 -0.46 0.25 117.35 131.12 1wz7 s TYR 72 Ca -0.01 0.73 -0.01 0.00 -2.44 0.00 0.00 57.07 55.34 1wz7 s TYR 72 Cb -0.15 -3.98 0.03 0.00 0.35 0.00 0.00 41.96 38.21 1wz7 s TYR 72 CO -0.05 -3.44 -0.07 1.03 -1.34 0.00 0.00 175.55 171.68 1wz7 s ARG 73 N 0.22 2.79 0.47 4.97 0.52 0.60 -4.68 118.95 123.84 1wz7 s ARG 73 Ca 0.66 -1.01 0.14 0.00 -0.52 0.00 0.00 55.73 55.01 1wz7 s ARG 73 Cb -0.46 -2.96 1.09 0.00 0.52 0.00 0.00 34.95 33.14 1wz7 s ARG 73 CO 0.40 -0.41 2.05 0.00 0.02 0.00 0.00 175.30 177.36 1wz7 h ALA 74 N 7.99 1.81 -0.59 2.13 0.00 -1.94 0.71 119.26 129.37 1wz7 h ALA 74 Ca -0.32 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1wz7 h ALA 74 Cb 1.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1wz7 h ALA 74 CO 0.57 0.15 0.24 0.38 0.00 0.00 0.00 179.25 180.58 1wz7 h ASP 75 N 0.03 0.77 -0.00 0.00 3.04 -1.95 -3.20 116.42 115.11 1wz7 h ASP 75 Ca 0.01 -0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.70 1wz7 h ASP 75 Cb 0.19 -0.20 0.00 0.00 -1.04 0.00 0.00 39.33 38.28 1wz7 h ASP 75 CO 0.01 0.69 -0.16 0.35 -2.04 0.00 0.00 179.24 178.09 1wz7 n THR 76 N -4.33 0.00 -3.75 1.15 -2.24 -1.12 -4.99 114.28 99.00 1wz7 n THR 76 Ca 0.05 -0.42 -0.26 0.00 -2.27 0.00 0.00 64.05 61.15 1wz7 n THR 76 Cb 0.16 1.07 0.05 0.00 -2.10 0.00 0.00 70.33 69.51 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 -0.45 -6.44 -4.32 -0.78 6.02 0.23 -4.98 117.38 106.66 1wz7 n GLN 77 Ca 0.03 0.70 -0.19 0.00 -0.01 0.00 0.00 57.00 57.53 1wz7 n GLN 77 Cb 0.13 -5.63 -0.09 0.00 1.02 0.00 0.00 30.24 25.68 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 -3.35 0.22 -0.19 5.09 -4.23 -1.17 -4.96 115.64 107.04 1wz7 s THR 78 Ca 0.53 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.98 1wz7 s THR 78 Cb -0.25 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.07 1wz7 s THR 78 CO 0.79 0.00 0.01 -0.31 -0.54 0.00 0.00 174.62 174.56 1wz7 s TYR 79 N -3.61 3.07 -0.07 3.99 1.51 -1.26 -0.29 117.35 120.69 1wz7 s TYR 79 Ca 0.36 -0.35 -0.25 0.00 -1.01 0.00 0.00 57.07 55.82 1wz7 s TYR 79 Cb 0.04 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 1wz7 s TYR 79 CO 0.19 -0.16 0.79 -1.14 -1.11 0.00 0.00 175.55 174.12 1wz7 s GLN 80 N 0.84 4.44 0.08 -0.62 2.00 0.14 -4.75 119.66 121.78 1wz7 s GLN 80 Ca 0.01 1.03 -0.14 0.00 -2.00 0.00 0.00 55.36 54.26 1wz7 s GLN 80 Cb -0.14 -3.48 -0.06 0.00 0.80 0.00 0.00 33.01 30.13 1wz7 s GLN 80 CO 0.02 -0.04 0.47 -1.25 -0.50 0.00 0.00 175.29 173.99 1wz7 s PRO 81 N 1.11 3.92 0.01 1.67 0.04 -1.26 -0.04 135.00 140.46 1wz7 s PRO 81 Ca 0.41 0.41 0.03 0.00 0.04 0.00 0.00 61.00 61.88 1wz7 s PRO 81 Cb -0.18 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 1wz7 s PRO 81 CO 0.19 0.58 -0.09 0.71 0.04 0.00 0.00 177.00 178.44 1wz7 s TYR 82 N -1.30 0.77 0.87 0.56 1.51 0.27 -4.99 117.35 115.04 1wz7 s TYR 82 Ca 0.31 -0.24 -0.09 0.00 -1.01 0.00 0.00 57.07 56.05 1wz7 s TYR 82 Cb -0.16 -0.48 0.19 0.00 -0.11 0.00 0.00 41.96 41.40 1wz7 s TYR 82 CO 0.17 -0.02 1.20 0.54 -1.11 0.00 0.00 175.55 176.33 1wz7 s ASN 83 N -0.62 3.48 0.26 2.29 2.20 -1.26 -1.81 114.94 119.48 1wz7 s ASN 83 Ca 0.00 -0.15 -0.05 0.00 -0.94 0.00 0.00 52.86 51.72 1wz7 s ASN 83 Cb -0.05 0.05 0.29 0.00 -2.00 0.00 0.00 41.25 39.54 1wz7 s ASN 83 CO 0.00 -2.46 1.93 0.07 -2.94 0.00 0.00 177.10 173.70 1wz7 h LYS 84 N -1.21 1.27 -0.77 3.55 2.10 -1.86 -2.04 116.57 117.62 1wz7 h LYS 84 Ca -0.39 -0.09 -0.02 0.00 -2.00 0.00 0.00 60.65 58.15 1wz7 h LYS 84 Cb 1.24 -0.28 -0.04 0.00 -0.90 0.00 0.00 32.23 32.25 1wz7 h LYS 84 CO 0.35 0.85 0.39 -0.44 -2.00 0.00 0.00 179.45 178.60 1wz7 h ASP 85 N 1.30 0.98 -0.66 7.07 3.45 -1.94 -1.22 116.42 125.40 1wz7 h ASP 85 Ca 0.35 -0.10 -0.05 0.00 0.43 0.00 0.00 57.03 57.66 1wz7 h ASP 85 Cb -0.13 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.36 1wz7 h ASP 85 CO -0.07 0.81 0.22 -0.25 -1.57 0.00 0.00 179.24 178.37 1wz7 h TRP 86 N 1.09 1.07 -0.41 4.55 7.01 -1.76 -1.98 115.95 125.52 1wz7 h TRP 86 Ca 0.27 -0.10 -0.04 0.00 2.11 0.00 0.00 58.89 61.13 1wz7 h TRP 86 Cb 0.07 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.80 1wz7 h TRP 86 CO 0.01 0.85 0.08 0.82 -2.79 0.00 0.00 178.44 177.41 1wz7 h ILE 87 N 1.00 1.23 -0.37 2.65 2.04 -0.82 -1.07 117.51 122.18 1wz7 h ILE 87 Ca 0.22 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 1wz7 h ILE 87 Cb 0.28 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1wz7 h ILE 87 CO -0.01 0.29 0.21 0.11 0.00 0.00 0.00 178.15 178.75 1wz7 h LYS 88 N 0.52 0.50 -0.35 2.37 1.57 -1.03 -0.05 116.57 120.10 1wz7 h LYS 88 Ca 0.13 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1wz7 h LYS 88 Cb 0.34 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1wz7 h LYS 88 CO 0.00 0.39 0.20 1.49 -0.57 0.00 0.00 179.45 180.97 1wz7 h GLU 89 N 0.47 0.40 -0.42 3.15 4.57 -1.27 0.12 114.58 121.59 1wz7 h GLU 89 Ca 0.13 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.34 1wz7 h GLU 89 Cb 0.03 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.48 1wz7 h GLU 89 CO -0.02 0.26 0.13 -0.22 -1.18 0.00 0.00 179.01 177.98 1wz7 h LYS 90 N 0.41 0.28 -0.46 1.92 1.63 -0.81 0.15 116.57 119.69 1wz7 h LYS 90 Ca 0.14 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.89 1wz7 h LYS 90 Cb 0.01 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 1wz7 h LYS 90 CO -0.07 0.18 0.15 0.82 -3.45 0.00 0.00 179.45 177.08 1wz7 h ILE 91 N 0.28 1.22 -0.19 2.00 2.04 -0.65 -0.89 117.51 121.32 1wz7 h ILE 91 Ca 0.20 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.38 1wz7 h ILE 91 Cb 0.21 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 1wz7 h ILE 91 CO -0.22 0.26 -0.16 0.22 0.00 0.00 0.00 178.15 178.25 1wz7 h TYR 92 N 0.60 -0.42 -0.43 1.37 3.20 0.47 -0.30 116.97 121.45 1wz7 h TYR 92 Ca 0.15 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 1wz7 h TYR 92 Cb 0.26 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 1wz7 h TYR 92 CO 0.01 -0.24 -0.08 -0.39 -1.64 0.00 0.00 178.16 175.83 1wz7 h VAL 93 N -0.18 1.25 -0.17 1.81 -1.51 -0.61 0.16 116.25 117.01 1wz7 h VAL 93 Ca 0.12 -1.10 -0.09 0.00 -1.23 0.00 0.00 66.70 64.40 1wz7 h VAL 93 Cb 0.35 1.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.50 1wz7 h VAL 93 CO -0.30 0.38 -0.28 -0.07 -1.23 0.00 0.00 177.57 176.07 1wz7 h LEU 94 N 0.68 0.31 0.15 4.19 3.38 -0.31 -2.74 115.31 120.97 1wz7 h LEU 94 Ca 0.12 -0.10 -0.24 0.00 0.09 0.00 0.00 57.88 57.75 1wz7 h LEU 94 Cb 0.54 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.21 1wz7 h LEU 94 CO 0.03 0.60 -1.15 -0.07 0.09 0.00 0.00 178.44 177.93 1wz7 h LEU 95 N 0.28 0.48 -1.50 1.67 -0.00 -0.83 -3.15 115.31 112.26 1wz7 h LEU 95 Ca 0.04 -0.91 0.10 0.00 -0.00 0.00 0.00 57.88 57.11 1wz7 h LEU 95 Cb 0.65 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.14 1wz7 h LEU 95 CO 0.05 1.53 0.65 -0.09 -0.00 0.00 0.00 178.44 180.58 1wz7 h ARG 96 N -0.28 0.00 -1.92 1.13 2.43 -0.62 1.04 114.38 116.17 1wz7 h ARG 96 Ca -0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1wz7 h ARG 96 Cb 1.76 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.31 1wz7 h ARG 96 CO 0.13 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 179.13 1wz7 n ARG 97 N -3.19 0.88 0.00 0.20 1.74 -1.04 -2.48 116.66 112.77 1wz7 n ARG 97 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1wz7 n ARG 97 Cb 0.79 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 31.17 1wz7 n ARG 97 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1wz7 n GLN 98 N 1.47 0.00 0.00 5.56 1.13 0.36 -4.76 117.38 121.14 1wz7 n GLN 98 Ca 0.00 0.17 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 1wz7 n GLN 98 Cb 0.44 -1.00 0.00 0.00 0.11 0.00 0.00 30.24 29.79 1wz7 n GLN 98 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wz7 n ALA 99 N -1.02 1.26 0.00 -1.58 0.00 -1.22 -5.13 120.51 112.83 1wz7 n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wz7 n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wz7 n ALA 99 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44