#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hw9 n PHE 1 N 0.00 1.62 -2.77 -1.40 7.35 -1.26 -5.01 117.46 115.99 2hw9 n PHE 1 Ca 0.00 -1.96 -0.42 0.00 -0.76 0.00 0.00 57.45 54.31 2hw9 n PHE 1 Cb 0.00 -0.27 -0.03 0.00 0.35 0.00 0.00 39.48 39.53 2hw9 n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2hw9 s ASN 2 N -3.50 7.08 0.05 -2.13 0.01 -1.26 -5.03 114.94 110.15 2hw9 s ASN 2 Ca 0.38 1.34 0.03 0.00 -0.71 0.00 0.00 52.86 53.90 2hw9 s ASN 2 Cb 0.37 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.48 2hw9 s ASN 2 CO -0.02 -0.48 0.02 -0.76 -1.51 0.00 0.00 177.10 174.35 2hw9 s LEU 3 N 2.37 3.59 0.61 0.60 1.43 -1.26 -0.87 118.68 125.15 2hw9 s LEU 3 Ca 0.43 -0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.34 2hw9 s LEU 3 Cb -0.17 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 2hw9 s LEU 3 CO 0.13 0.22 1.04 -2.16 0.23 0.00 0.00 176.35 175.80 2hw9 s PRO 4 N -2.00 3.38 0.42 1.29 0.04 -1.26 -4.59 135.00 132.26 2hw9 s PRO 4 Ca 0.24 1.00 0.23 0.00 0.04 0.00 0.00 61.00 62.51 2hw9 s PRO 4 Cb -0.12 -2.05 0.47 0.00 0.04 0.00 0.00 34.50 32.84 2hw9 s PRO 4 CO 0.16 -0.75 1.64 -1.00 0.04 0.00 0.00 177.00 177.09 2hw9 h PRO 5 N 0.06 0.00 -6.98 0.56 0.13 -1.99 -3.48 132.00 120.31 2hw9 h PRO 5 Ca -0.45 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.30 2hw9 h PRO 5 Cb 1.20 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.55 2hw9 h PRO 5 CO 0.59 0.15 -0.15 0.20 -0.23 0.00 0.00 178.00 178.55 2hw9 s GLY 6 N -4.28 1.39 0.38 1.56 0.00 -1.26 -5.07 107.32 100.04 2hw9 s GLY 6 Ca 0.05 -0.77 0.03 0.00 0.00 0.00 0.00 44.72 44.03 2hw9 s GLY 6 CO 0.67 0.25 0.12 1.16 0.00 0.00 0.00 173.10 175.30 2hw9 n ASN 7 N -5.75 1.39 -0.63 1.64 0.23 -1.26 -5.07 115.26 105.81 2hw9 n ASN 7 Ca 0.12 -2.96 0.08 0.00 -0.53 0.00 0.00 54.58 51.30 2hw9 n ASN 7 Cb 0.60 0.87 0.22 0.00 -2.08 0.00 0.00 39.78 39.39 2hw9 n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2hw9 n TYR 8 N -0.85 0.62 -0.05 -2.53 4.01 -1.26 -4.71 117.16 112.39 2hw9 n TYR 8 Ca -0.06 -0.97 0.04 0.00 -0.16 0.00 0.00 57.90 56.74 2hw9 n TYR 8 Cb 0.55 -0.27 0.39 0.00 -0.31 0.00 0.00 39.34 39.70 2hw9 n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2hw9 h LYS 9 N 1.14 0.63 -5.11 -0.72 1.79 -1.97 -3.45 116.57 108.88 2hw9 h LYS 9 Ca 0.01 -0.04 -0.40 0.00 -2.18 0.00 0.00 60.65 58.05 2hw9 h LYS 9 Cb 1.30 -0.14 -0.14 0.00 -1.58 0.00 0.00 32.23 31.67 2hw9 h LYS 9 CO 0.16 0.42 -0.65 0.15 -1.08 0.00 0.00 179.45 178.45 2hw9 s LYS 10 N -5.57 1.40 0.85 3.15 1.02 -1.26 -5.15 119.74 114.19 2hw9 s LYS 10 Ca -0.09 -1.73 -0.12 0.00 0.02 0.00 0.00 55.97 54.06 2hw9 s LYS 10 Cb 0.18 -0.64 0.10 0.00 -0.52 0.00 0.00 37.83 36.94 2hw9 s LYS 10 CO 0.74 -0.12 1.10 -1.25 -0.92 0.00 0.00 175.35 174.90 2hw9 s PRO 11 N -3.88 1.63 0.33 -1.68 0.04 -1.26 -4.73 135.00 125.46 2hw9 s PRO 11 Ca 0.31 0.59 -0.05 0.00 0.04 0.00 0.00 61.00 61.88 2hw9 s PRO 11 Cb 0.06 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2hw9 s PRO 11 CO 0.10 -1.92 0.49 0.00 0.04 0.00 0.00 177.00 175.71 2hw9 s LEU 13 N -3.19 2.92 -0.45 0.00 1.43 0.33 -0.79 118.68 118.94 2hw9 s LEU 13 Ca 0.28 -0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 2hw9 s LEU 13 Cb -0.01 -1.69 0.11 0.00 0.03 0.00 0.00 46.19 44.63 2hw9 s LEU 13 CO 0.18 0.27 0.30 -0.76 0.23 0.00 0.00 176.35 176.56 2hw9 s LEU 14 N -1.46 5.49 -0.19 1.79 1.43 -1.26 -0.35 118.68 124.14 2hw9 s LEU 14 Ca 0.16 -1.87 -0.22 0.00 -1.03 0.00 0.00 54.13 51.17 2hw9 s LEU 14 Cb -0.11 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 2hw9 s LEU 14 CO 0.07 -0.63 0.70 -0.47 0.23 0.00 0.00 176.35 176.25 2hw9 s TYR 15 N 1.32 3.39 -0.29 0.29 5.04 -0.46 -1.15 117.35 125.49 2hw9 s TYR 15 Ca 0.06 1.05 -0.16 0.00 -2.44 0.00 0.00 57.07 55.58 2hw9 s TYR 15 Cb -0.25 -2.87 -0.03 0.00 0.35 0.00 0.00 41.96 39.16 2hw9 s TYR 15 CO -0.01 -0.19 0.41 0.00 -1.34 0.00 0.00 175.55 174.41 2hw9 n SER 17 N 5.42 0.00 0.32 0.00 3.41 -1.03 -0.44 113.62 121.30 2hw9 n SER 17 Ca -0.08 0.38 -0.16 0.00 -0.26 0.00 0.00 58.87 58.76 2hw9 n SER 17 Cb 0.50 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.92 2hw9 n SER 17 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2hw9 h ASN 18 N 0.00 -0.68 0.00 4.04 -1.24 -1.81 -3.35 115.58 112.54 2hw9 h ASN 18 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.99 2hw9 h ASN 18 Cb 0.23 0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.46 2hw9 h ASN 18 CO 0.00 -0.39 0.00 0.61 -1.29 0.00 0.00 177.43 176.36 2hw9 n GLY 19 N -1.04 -0.85 2.06 1.57 0.00 -1.24 -4.79 105.19 100.90 2hw9 n GLY 19 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 2hw9 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hw9 n GLY 20 N -0.06 0.23 3.92 -0.02 0.00 0.41 -5.02 105.19 104.65 2hw9 n GLY 20 Ca 0.00 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 2hw9 n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hw9 s HIS 21 N -2.25 3.49 -0.06 1.61 3.76 -1.16 -4.67 115.29 116.01 2hw9 s HIS 21 Ca 0.01 0.34 -0.11 0.00 -0.15 0.00 0.00 55.06 55.14 2hw9 s HIS 21 Cb -0.00 -1.84 -0.05 0.00 1.11 0.00 0.00 32.58 31.80 2hw9 s HIS 21 CO 0.01 0.48 0.28 -0.06 -0.85 0.00 0.00 174.74 174.60 2hw9 s PHE 22 N -1.67 3.66 0.24 1.40 0.08 0.20 -0.47 117.98 121.42 2hw9 s PHE 22 Ca 0.37 0.77 -0.30 0.00 0.12 0.00 0.00 56.93 57.89 2hw9 s PHE 22 Cb -0.12 -2.13 -0.10 0.00 -0.57 0.00 0.00 43.02 40.10 2hw9 s PHE 22 CO 0.27 0.67 1.35 -1.17 -0.10 0.00 0.00 175.22 176.24 2hw9 s LEU 23 N -0.98 4.41 -0.03 -0.37 2.96 -0.30 -1.53 118.68 122.84 2hw9 s LEU 23 Ca 0.19 2.55 0.03 0.00 -0.22 0.00 0.00 54.13 56.68 2hw9 s LEU 23 Cb -0.14 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.93 2hw9 s LEU 23 CO 0.09 -0.58 -0.11 -0.60 -1.32 0.00 0.00 176.35 173.82 2hw9 s ARG 24 N -0.57 1.21 -0.31 1.98 3.52 0.64 -4.49 118.95 120.93 2hw9 s ARG 24 Ca 0.56 -0.39 0.02 0.00 -0.13 0.00 0.00 55.73 55.78 2hw9 s ARG 24 Cb -0.39 -1.09 0.07 0.00 -1.56 0.00 0.00 34.95 31.98 2hw9 s ARG 24 CO 0.43 0.14 -0.01 0.42 -0.81 0.00 0.00 175.30 175.47 2hw9 s ILE 25 N 0.18 2.51 0.62 4.11 1.01 -0.93 -1.94 121.20 126.76 2hw9 s ILE 25 Ca -0.04 -1.81 -0.15 0.00 0.00 0.00 0.00 60.65 58.65 2hw9 s ILE 25 Cb -0.10 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 2hw9 s ILE 25 CO 0.01 -0.27 1.07 -0.76 0.00 0.00 0.00 174.94 174.99 2hw9 s LEU 26 N 1.09 3.42 0.41 2.97 1.43 0.05 -4.83 118.68 123.21 2hw9 s LEU 26 Ca -0.01 1.83 0.17 0.00 -1.03 0.00 0.00 54.13 55.09 2hw9 s LEU 26 Cb -0.20 -4.53 1.07 0.00 0.03 0.00 0.00 46.19 42.56 2hw9 s LEU 26 CO -0.05 -1.31 1.83 -0.65 0.23 0.00 0.00 176.35 176.40 2hw9 h PRO 27 N 0.19 0.41 -0.01 1.29 0.11 -1.98 -0.22 132.00 131.78 2hw9 h PRO 27 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2hw9 h PRO 27 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2hw9 h PRO 27 CO 0.56 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 2hw9 n ASP 28 N -4.55 0.13 0.00 -2.05 5.75 -1.26 -4.87 116.55 109.71 2hw9 n ASP 28 Ca 0.21 -1.34 0.00 0.00 -0.01 0.00 0.00 54.79 53.65 2hw9 n ASP 28 Cb 0.74 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 2hw9 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hw9 n GLY 29 N 0.87 0.36 3.77 6.12 0.00 -0.10 -4.96 105.19 111.24 2hw9 n GLY 29 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2hw9 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hw9 s THR 30 N -2.11 3.30 -0.06 2.61 2.01 -1.25 -0.92 115.64 119.22 2hw9 s THR 30 Ca 0.00 1.19 0.05 0.00 0.31 0.00 0.00 61.69 63.24 2hw9 s THR 30 Cb 0.00 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 2hw9 s THR 30 CO 0.00 0.20 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.21 2hw9 s VAL 31 N -1.31 1.85 0.00 3.82 1.01 -1.26 -0.77 120.40 123.73 2hw9 s VAL 31 Ca 0.51 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2hw9 s VAL 31 Cb -0.31 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.49 2hw9 s VAL 31 CO 0.40 0.52 0.00 -0.90 0.00 0.00 0.00 175.10 175.12 2hw9 n ASP 32 N 3.12 0.00 -4.20 3.32 5.75 -0.82 -4.54 116.55 119.18 2hw9 n ASP 32 Ca -0.18 -0.36 -0.17 0.00 -0.01 0.00 0.00 54.79 54.07 2hw9 n ASP 32 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 2hw9 n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2hw9 s GLY 33 N -0.40 0.95 0.01 6.12 0.00 0.18 -0.26 107.32 113.91 2hw9 s GLY 33 Ca 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 44.72 43.52 2hw9 s GLY 33 CO 0.00 -1.23 0.02 -1.08 0.00 0.00 0.00 173.10 170.81 2hw9 s THR 34 N -1.98 0.09 -1.85 0.90 -1.32 -0.59 -4.81 115.64 106.09 2hw9 s THR 34 Ca 0.05 -0.76 0.27 0.00 -1.21 0.00 0.00 61.69 60.03 2hw9 s THR 34 Cb -0.06 -0.29 0.33 0.00 -1.51 0.00 0.00 72.50 70.97 2hw9 s THR 34 CO 0.02 -0.42 1.62 0.54 -2.21 0.00 0.00 174.62 174.17 2hw9 n ARG 35 N 1.70 0.94 -2.36 7.08 1.74 -1.26 -0.63 116.66 123.87 2hw9 n ARG 35 Ca -0.23 -0.53 -0.42 0.00 -0.77 0.00 0.00 57.85 55.90 2hw9 n ARG 35 Cb 0.56 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 2hw9 n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2hw9 s ASP 36 N -2.43 6.13 0.58 0.55 2.15 -1.26 -4.87 116.67 117.51 2hw9 s ASP 36 Ca 0.27 0.41 0.35 0.00 0.43 0.00 0.00 52.55 54.01 2hw9 s ASP 36 Cb 0.20 -2.54 1.70 0.00 -0.30 0.00 0.00 42.92 41.97 2hw9 s ASP 36 CO 0.49 -1.69 2.12 -0.09 -0.17 0.00 0.00 175.17 175.83 2hw9 h ARG 37 N 11.19 0.00 -0.00 4.34 1.12 -2.01 -2.33 114.38 126.69 2hw9 h ARG 37 Ca -0.27 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.60 2hw9 h ARG 37 Cb 1.10 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.06 2hw9 h ARG 37 CO 1.16 0.04 -0.07 -1.13 -3.11 0.00 0.00 179.97 176.86 2hw9 n SER 38 N -3.23 0.39 -4.74 -3.80 3.41 -1.26 -4.89 113.62 99.49 2hw9 n SER 38 Ca -0.01 -0.64 -0.42 0.00 -0.26 0.00 0.00 58.87 57.55 2hw9 n SER 38 Cb 0.22 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 2hw9 n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2hw9 s ASP 39 N -2.38 6.39 0.00 4.04 -1.08 -0.88 -4.87 116.67 117.89 2hw9 s ASP 39 Ca 0.33 2.90 0.31 0.00 -0.52 0.00 0.00 52.55 55.57 2hw9 s ASP 39 Cb 0.20 -2.62 1.76 0.00 -1.46 0.00 0.00 42.92 40.80 2hw9 s ASP 39 CO 0.45 -0.92 2.15 0.00 0.52 0.00 0.00 175.17 177.37 2hw9 n GLN 40 N 2.74 1.00 -0.23 4.34 1.13 -1.26 -3.60 117.38 121.50 2hw9 n GLN 40 Ca 0.10 -0.11 0.06 0.00 -1.94 0.00 0.00 57.00 55.11 2hw9 n GLN 40 Cb 0.37 -1.50 0.17 0.00 0.11 0.00 0.00 30.24 29.39 2hw9 n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2hw9 n HIS 41 N -0.90 0.54 0.81 1.08 8.25 -1.26 -4.38 115.22 119.35 2hw9 n HIS 41 Ca 0.22 -0.60 0.09 0.00 -0.26 0.00 0.00 57.72 57.18 2hw9 n HIS 41 Cb 0.15 -0.10 0.01 0.00 1.12 0.00 0.00 29.99 31.18 2hw9 n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2hw9 n ILE 42 N 0.17 0.00 -2.71 1.59 -5.35 -1.24 -2.20 119.36 109.63 2hw9 n ILE 42 Ca 0.13 -0.34 -0.43 0.00 -0.27 0.00 0.00 62.75 61.84 2hw9 n ILE 42 Cb 0.53 1.25 -0.02 0.00 -1.74 0.00 0.00 39.64 39.65 2hw9 n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2hw9 s GLN 43 N -2.01 4.20 0.15 6.28 1.11 -1.26 -4.48 119.66 123.65 2hw9 s GLN 43 Ca 0.16 1.21 0.10 0.00 0.01 0.00 0.00 55.36 56.85 2hw9 s GLN 43 Cb 0.15 -3.66 -0.04 0.00 -1.01 0.00 0.00 33.01 28.45 2hw9 s GLN 43 CO 0.42 -0.66 -0.24 -0.51 0.01 0.00 0.00 175.29 174.32 2hw9 s LEU 44 N 3.21 2.36 -0.14 2.90 1.43 0.03 -1.67 118.68 126.80 2hw9 s LEU 44 Ca 0.42 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 2hw9 s LEU 44 Cb -0.15 -1.08 0.02 0.00 0.03 0.00 0.00 46.19 45.01 2hw9 s LEU 44 CO 0.08 0.11 -0.17 -1.58 0.23 0.00 0.00 176.35 175.03 2hw9 s GLN 45 N -2.28 2.50 0.20 1.70 2.00 0.11 0.01 119.66 123.89 2hw9 s GLN 45 Ca 0.14 -0.65 0.02 0.00 -2.00 0.00 0.00 55.36 52.88 2hw9 s GLN 45 Cb -0.09 -2.18 -0.03 0.00 0.80 0.00 0.00 33.01 31.51 2hw9 s GLN 45 CO 0.07 -0.16 0.34 -0.51 -0.50 0.00 0.00 175.29 174.53 2hw9 s LEU 46 N 1.23 4.29 -0.03 3.68 1.02 -1.26 -1.01 118.68 126.61 2hw9 s LEU 46 Ca 0.00 0.21 -0.16 0.00 0.02 0.00 0.00 54.13 54.20 2hw9 s LEU 46 Cb -0.14 -2.97 0.03 0.00 0.02 0.00 0.00 46.19 43.13 2hw9 s LEU 46 CO -0.08 -0.02 0.34 -0.94 0.02 0.00 0.00 176.35 175.67 2hw9 s SER 47 N -3.48 -0.24 -0.22 2.29 1.04 -0.88 -4.81 113.70 107.40 2hw9 s SER 47 Ca 0.35 0.18 -0.10 0.00 0.48 0.00 0.00 55.95 56.87 2hw9 s SER 47 Cb -0.10 0.36 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 2hw9 s SER 47 CO 0.29 -0.44 0.15 0.00 0.98 0.00 0.00 173.24 174.22 2hw9 s ALA 48 N -1.20 3.64 -0.08 5.32 0.00 -1.26 -1.23 121.76 126.94 2hw9 s ALA 48 Ca -0.12 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 2hw9 s ALA 48 Cb -0.05 -2.25 -0.29 0.00 0.00 0.00 0.00 23.12 20.53 2hw9 s ALA 48 CO 0.04 -0.05 0.56 0.93 0.00 0.00 0.00 175.76 177.24 2hw9 h GLU 49 N 7.17 0.33 -4.21 0.00 4.39 -1.61 -3.48 114.58 117.17 2hw9 h GLU 49 Ca -0.39 -0.56 -0.16 0.00 0.34 0.00 0.00 59.36 58.59 2hw9 h GLU 49 Cb 1.16 0.21 -0.14 0.00 -0.10 0.00 0.00 28.75 29.88 2hw9 h GLU 49 CO 0.70 1.27 -0.49 -1.12 -1.16 0.00 0.00 179.01 178.21 2hw9 s SER 50 N -7.18 0.16 0.09 1.42 0.01 -1.25 -5.03 113.70 101.92 2hw9 s SER 50 Ca -0.19 -1.10 -0.32 0.00 1.31 0.00 0.00 55.95 55.65 2hw9 s SER 50 Cb 0.06 0.38 -0.11 0.00 0.21 0.00 0.00 66.02 66.55 2hw9 s SER 50 CO 0.81 -0.84 1.82 0.52 0.41 0.00 0.00 173.24 175.96 2hw9 n VAL 51 N -0.19 0.37 -0.99 3.43 0.31 -1.26 -0.96 118.33 119.05 2hw9 n VAL 51 Ca -0.05 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2hw9 n VAL 51 Cb 0.64 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 2hw9 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hw9 n GLY 52 N 4.16 0.84 3.35 2.92 0.00 -1.26 -5.02 105.19 110.18 2hw9 n GLY 52 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2hw9 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hw9 s GLU 53 N -0.04 3.35 0.15 1.61 2.02 -0.13 -1.30 118.70 124.36 2hw9 s GLU 53 Ca 0.00 -0.71 0.04 0.00 0.02 0.00 0.00 54.97 54.32 2hw9 s GLU 53 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.59 2hw9 s GLU 53 CO 0.00 0.21 -0.08 0.14 0.02 0.00 0.00 175.26 175.56 2hw9 s VAL 54 N 0.35 1.03 0.08 2.63 -7.23 0.35 -1.47 120.40 116.15 2hw9 s VAL 54 Ca -0.12 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.05 2hw9 s VAL 54 Cb -0.16 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 2hw9 s VAL 54 CO 0.06 -0.70 0.06 -0.31 -0.31 0.00 0.00 175.10 173.90 2hw9 s TYR 55 N -3.42 3.13 -0.24 2.82 2.02 -0.37 -1.40 117.35 119.90 2hw9 s TYR 55 Ca 0.18 0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.94 2hw9 s TYR 55 Cb 0.04 -1.60 0.06 0.00 -0.40 0.00 0.00 41.96 40.06 2hw9 s TYR 55 CO 0.01 0.51 -0.08 0.42 -1.57 0.00 0.00 175.55 174.84 2hw9 s ILE 56 N -1.36 1.74 0.05 2.71 1.01 -1.26 -2.07 121.20 122.02 2hw9 s ILE 56 Ca 0.28 -1.32 0.08 0.00 0.00 0.00 0.00 60.65 59.69 2hw9 s ILE 56 Cb -0.12 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 2hw9 s ILE 56 CO 0.21 -0.04 -0.21 -1.59 0.00 0.00 0.00 174.94 173.30 2hw9 s LYS 57 N 1.31 1.38 -0.00 2.79 -2.85 -0.18 -0.57 119.74 121.62 2hw9 s LYS 57 Ca -0.06 -0.99 -0.30 0.00 -1.00 0.00 0.00 55.97 53.61 2hw9 s LYS 57 Cb -0.19 -1.53 -0.06 0.00 -2.06 0.00 0.00 37.83 33.99 2hw9 s LYS 57 CO -0.06 0.39 1.52 0.45 0.10 0.00 0.00 175.35 177.75 2hw9 s SER 58 N -1.30 6.74 0.24 0.03 0.15 0.30 0.09 113.70 119.95 2hw9 s SER 58 Ca 0.08 2.22 0.12 0.00 0.70 0.00 0.00 55.95 59.07 2hw9 s SER 58 Cb -0.09 -2.55 0.15 0.00 -1.71 0.00 0.00 66.02 61.82 2hw9 s SER 58 CO 0.02 -0.82 1.48 0.71 1.20 0.00 0.00 173.24 175.84 2hw9 h THR 59 N 5.07 1.28 -0.06 6.45 1.35 -1.65 -0.73 112.91 124.62 2hw9 h THR 59 Ca -0.39 -2.48 -0.24 0.00 -0.55 0.00 0.00 66.41 62.75 2hw9 h THR 59 Cb 1.18 2.42 0.01 0.00 -1.73 0.00 0.00 68.15 70.03 2hw9 h THR 59 CO 0.93 0.66 -0.90 -0.08 -0.25 0.00 0.00 175.52 175.87 2hw9 h GLU 60 N 0.00 0.66 0.00 4.72 4.57 -1.80 -3.39 114.58 119.34 2hw9 h GLU 60 Ca -0.01 -0.63 0.00 0.00 -1.18 0.00 0.00 59.36 57.55 2hw9 h GLU 60 Cb 1.36 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 30.11 2hw9 h GLU 60 CO 0.09 1.23 -0.67 0.25 -1.18 0.00 0.00 179.01 178.73 2hw9 n THR 61 N -3.86 0.00 -0.52 0.32 -2.24 -1.24 -5.01 114.28 101.73 2hw9 n THR 61 Ca -0.08 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2hw9 n THR 61 Cb 0.81 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 2hw9 n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hw9 n GLY 62 N 1.45 1.56 3.79 3.38 0.00 -0.28 -5.03 105.19 110.07 2hw9 n GLY 62 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2hw9 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hw9 s GLN 63 N -0.15 3.71 -0.14 1.61 -0.21 -1.26 -4.72 119.66 118.50 2hw9 s GLN 63 Ca 0.00 1.45 -0.08 0.00 0.02 0.00 0.00 55.36 56.75 2hw9 s GLN 63 Cb 0.00 -2.11 -0.04 0.00 1.00 0.00 0.00 33.01 31.86 2hw9 s GLN 63 CO 0.00 -0.52 0.13 0.71 -2.12 0.00 0.00 175.29 173.48 2hw9 s TYR 64 N -1.89 3.51 0.32 0.91 1.51 -0.04 -0.54 117.35 121.13 2hw9 s TYR 64 Ca 0.68 0.43 -0.29 0.00 -1.01 0.00 0.00 57.07 56.89 2hw9 s TYR 64 Cb -0.19 -2.00 -0.10 0.00 -0.11 0.00 0.00 41.96 39.56 2hw9 s TYR 64 CO 0.22 0.57 1.33 -1.17 -1.11 0.00 0.00 175.55 175.40 2hw9 s LEU 65 N -0.57 4.42 0.00 -1.29 2.96 0.26 -0.17 118.68 124.30 2hw9 s LEU 65 Ca 0.12 2.71 -0.14 0.00 -0.22 0.00 0.00 54.13 56.60 2hw9 s LEU 65 Cb -0.12 -3.65 0.02 0.00 0.50 0.00 0.00 46.19 42.95 2hw9 s LEU 65 CO 0.02 -0.57 0.30 0.00 -1.32 0.00 0.00 176.35 174.78 2hw9 s ALA 66 N -1.01 -0.74 -0.18 5.97 0.00 -0.36 -4.38 121.76 121.07 2hw9 s ALA 66 Ca 0.50 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2hw9 s ALA 66 Cb -0.40 0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.88 2hw9 s ALA 66 CO 0.52 -0.31 -0.17 1.41 0.00 0.00 0.00 175.76 177.22 2hw9 s MET 67 N -1.73 3.10 0.91 0.00 1.75 -0.53 -0.76 119.30 122.04 2hw9 s MET 67 Ca -0.11 -0.78 -0.15 0.00 -1.25 0.00 0.00 55.69 53.39 2hw9 s MET 67 Cb -0.04 -2.63 0.21 0.00 2.84 0.00 0.00 34.83 35.21 2hw9 s MET 67 CO 0.02 -0.14 1.10 -0.40 -0.65 0.00 0.00 175.02 174.94 2hw9 n ASP 68 N 4.47 -0.48 0.29 1.11 5.68 0.79 -4.78 116.55 123.63 2hw9 n ASP 68 Ca -0.20 -1.32 0.19 0.00 -0.50 0.00 0.00 54.79 52.96 2hw9 n ASP 68 Cb 0.51 -0.88 0.96 0.00 -1.14 0.00 0.00 41.12 40.57 2hw9 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2hw9 h THR 69 N -1.92 0.00 -0.47 2.12 1.03 -2.00 -1.17 112.91 110.49 2hw9 h THR 69 Ca -0.37 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 65.87 2hw9 h THR 69 Cb 1.04 1.08 0.00 0.00 -1.07 0.00 0.00 68.15 69.21 2hw9 h THR 69 CO 0.25 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.23 2hw9 n ASP 70 N -2.94 3.84 0.00 0.00 8.00 -1.26 -4.96 116.55 119.23 2hw9 n ASP 70 Ca -0.02 -2.35 0.00 0.00 0.71 0.00 0.00 54.79 53.13 2hw9 n ASP 70 Cb 0.14 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 2hw9 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hw9 n GLY 71 N 0.63 0.60 3.81 0.44 0.00 -0.44 -4.63 105.19 105.60 2hw9 n GLY 71 Ca 0.20 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2hw9 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hw9 s LEU 72 N 0.00 4.41 0.26 0.99 1.43 -1.26 -0.70 118.68 123.81 2hw9 s LEU 72 Ca 0.00 0.82 -0.28 0.00 -1.03 0.00 0.00 54.13 53.63 2hw9 s LEU 72 Cb 0.00 -2.50 -0.09 0.00 0.03 0.00 0.00 46.19 43.63 2hw9 s LEU 72 CO 0.00 0.27 0.93 -0.76 0.23 0.00 0.00 176.35 177.02 2hw9 s LEU 73 N -0.67 4.55 0.15 1.79 1.43 -1.26 -0.15 118.68 124.52 2hw9 s LEU 73 Ca 0.22 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 55.10 2hw9 s LEU 73 Cb -0.15 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.36 2hw9 s LEU 73 CO 0.10 0.09 0.31 -0.72 0.23 0.00 0.00 176.35 176.37 2hw9 s TYR 74 N -1.31 0.24 -0.20 0.29 1.13 0.06 -4.47 117.35 113.09 2hw9 s TYR 74 Ca 0.43 -0.61 -0.15 0.00 -1.41 0.00 0.00 57.07 55.33 2hw9 s TYR 74 Cb -0.23 0.03 -0.04 0.00 -1.10 0.00 0.00 41.96 40.61 2hw9 s TYR 74 CO 0.29 -0.72 0.37 0.20 -2.51 0.00 0.00 175.55 173.18 2hw9 s GLY 75 N -2.93 2.08 -0.14 5.49 0.00 -0.09 -1.22 107.32 110.51 2hw9 s GLY 75 Ca 0.13 -0.57 -0.06 0.00 0.00 0.00 0.00 44.72 44.23 2hw9 s GLY 75 CO -0.03 0.76 0.07 -0.45 0.00 0.00 0.00 173.10 173.44 2hw9 s SER 76 N 1.03 5.73 0.38 1.64 0.15 0.77 -4.75 113.70 118.65 2hw9 s SER 76 Ca 0.18 0.20 0.17 0.00 0.70 0.00 0.00 55.95 57.20 2hw9 s SER 76 Cb -0.15 -1.86 0.77 0.00 -1.71 0.00 0.00 66.02 63.08 2hw9 s SER 76 CO 0.07 0.29 1.81 1.56 1.20 0.00 0.00 173.24 178.18 2hw9 h GLN 77 N 5.80 0.00 -5.57 5.44 1.08 -1.91 -0.06 115.11 119.89 2hw9 h GLN 77 Ca -0.46 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.30 2hw9 h GLN 77 Cb 1.19 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.43 2hw9 h GLN 77 CO 0.63 0.37 -0.77 0.95 -0.95 0.00 0.00 178.83 179.05 2hw9 s THR 78 N -3.93 1.40 0.16 -0.54 -4.23 -1.26 -4.82 115.64 102.43 2hw9 s THR 78 Ca -0.02 -1.64 -0.30 0.00 -1.18 0.00 0.00 61.69 58.55 2hw9 s THR 78 Cb 0.13 -1.49 -0.07 0.00 1.34 0.00 0.00 72.50 72.41 2hw9 s THR 78 CO 0.70 -0.32 1.16 -2.16 -0.54 0.00 0.00 174.62 173.45 2hw9 s PRO 79 N -2.41 4.52 0.19 3.99 0.04 -1.26 -4.89 135.00 135.19 2hw9 s PRO 79 Ca 0.07 1.79 0.02 0.00 0.04 0.00 0.00 61.00 62.93 2hw9 s PRO 79 Cb -0.07 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 2hw9 s PRO 79 CO 0.03 -0.05 0.21 0.27 0.04 0.00 0.00 177.00 177.50 2hw9 n ASN 80 N 2.68 -0.56 0.26 6.66 0.23 -1.26 -5.03 115.26 118.24 2hw9 n ASN 80 Ca 0.04 -2.17 0.09 0.00 -0.53 0.00 0.00 54.58 52.01 2hw9 n ASN 80 Cb 0.46 1.16 0.68 0.00 -2.08 0.00 0.00 39.78 39.99 2hw9 n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2hw9 h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.99 -1.69 114.58 111.18 2hw9 h GLU 81 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 2hw9 h GLU 81 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2hw9 h GLU 81 CO 0.20 0.03 0.00 0.39 0.07 0.00 0.00 179.01 179.70 2hw9 n GLU 82 N -4.34 0.41 0.00 1.06 1.02 -1.26 -3.36 120.64 114.17 2hw9 n GLU 82 Ca -0.03 0.05 0.12 0.00 -0.02 0.00 0.00 57.16 57.28 2hw9 n GLU 82 Cb 0.12 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.10 2hw9 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hw9 s LEU 84 N -2.35 4.35 0.03 0.00 1.43 -1.21 -4.50 118.68 116.41 2hw9 s LEU 84 Ca 0.22 0.81 0.06 0.00 -1.03 0.00 0.00 54.13 54.18 2hw9 s LEU 84 Cb 0.19 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 2hw9 s LEU 84 CO 0.50 0.15 -0.17 -0.36 0.23 0.00 0.00 176.35 176.69 2hw9 s PHE 85 N -0.06 1.53 -0.36 0.29 0.40 -0.49 -1.40 117.98 117.89 2hw9 s PHE 85 Ca 0.23 -0.34 -0.23 0.00 -0.60 0.00 0.00 56.93 55.98 2hw9 s PHE 85 Cb -0.15 -0.93 0.01 0.00 0.51 0.00 0.00 43.02 42.46 2hw9 s PHE 85 CO 0.10 0.04 0.80 -0.51 0.70 0.00 0.00 175.22 176.35 2hw9 s LEU 86 N -0.97 4.12 -0.31 -0.37 1.43 0.15 -0.49 118.68 122.24 2hw9 s LEU 86 Ca 0.05 0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 53.36 2hw9 s LEU 86 Cb -0.08 -3.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 2hw9 s LEU 86 CO 0.01 -0.74 0.47 -0.70 0.23 0.00 0.00 176.35 175.62 2hw9 s GLU 87 N 3.13 3.81 0.09 1.70 2.12 -0.42 -1.49 118.70 127.64 2hw9 s GLU 87 Ca 0.32 -0.02 0.04 0.00 0.36 0.00 0.00 54.97 55.67 2hw9 s GLU 87 Cb -0.13 -3.74 -0.03 0.00 0.26 0.00 0.00 34.13 30.49 2hw9 s GLU 87 CO 0.17 -0.48 -0.11 1.03 -0.54 0.00 0.00 175.26 175.32 2hw9 s ARG 88 N 2.27 0.85 0.46 4.30 1.81 -0.39 -4.65 118.95 123.61 2hw9 s ARG 88 Ca 0.18 -1.10 -0.21 0.00 -1.72 0.00 0.00 55.73 52.88 2hw9 s ARG 88 Cb -0.16 -0.63 -0.09 0.00 -0.45 0.00 0.00 34.95 33.62 2hw9 s ARG 88 CO 0.11 0.11 1.01 -1.17 -0.68 0.00 0.00 175.30 174.69 2hw9 s LEU 89 N -2.25 3.91 -0.03 2.53 2.96 -0.05 -0.61 118.68 125.14 2hw9 s LEU 89 Ca 0.03 1.87 -0.04 0.00 -0.22 0.00 0.00 54.13 55.77 2hw9 s LEU 89 Cb -0.05 -4.51 0.01 0.00 0.50 0.00 0.00 46.19 42.14 2hw9 s LEU 89 CO 0.01 -0.61 0.10 -0.70 -1.32 0.00 0.00 176.35 173.83 2hw9 s GLU 90 N -3.12 0.14 -1.34 1.98 2.56 0.36 -4.82 118.70 114.46 2hw9 s GLU 90 Ca 0.64 0.09 -0.05 0.00 0.00 0.00 0.00 54.97 55.65 2hw9 s GLU 90 Cb -0.15 0.07 0.03 0.00 2.00 0.00 0.00 34.13 36.08 2hw9 s GLU 90 CO 0.19 -0.02 0.39 0.39 -0.56 0.00 0.00 175.26 175.64 2hw9 n GLU 91 N 2.90 -3.48 -2.41 4.30 1.02 -1.26 -1.13 120.64 120.57 2hw9 n GLU 91 Ca -0.13 0.66 -0.16 0.00 -0.02 0.00 0.00 57.16 57.51 2hw9 n GLU 91 Cb 0.59 -5.39 -0.01 0.00 -0.02 0.00 0.00 31.44 26.62 2hw9 n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2hw9 n ASN 92 N -2.24 -4.68 0.00 1.62 4.13 -1.26 -4.58 115.26 108.26 2hw9 n ASN 92 Ca -0.09 0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.29 2hw9 n ASN 92 Cb 0.59 -3.94 0.00 0.00 -1.54 0.00 0.00 39.78 34.89 2hw9 n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2hw9 n HIS 93 N -3.61 -1.74 -2.51 3.10 -0.00 -0.56 -5.16 115.22 104.74 2hw9 n HIS 93 Ca -0.19 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.27 2hw9 n HIS 93 Cb 0.64 0.35 0.03 0.00 -0.00 0.00 0.00 29.99 31.00 2hw9 n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2hw9 s TYR 94 N -1.73 3.27 -0.10 1.57 2.02 -0.28 -4.83 117.35 117.26 2hw9 s TYR 94 Ca 0.00 0.59 -0.04 0.00 -0.37 0.00 0.00 57.07 57.25 2hw9 s TYR 94 Cb 0.00 -2.63 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 2hw9 s TYR 94 CO 0.00 -0.70 0.06 -0.80 -1.57 0.00 0.00 175.55 172.53 2hw9 s ASN 95 N -4.27 5.70 0.17 2.29 -0.87 0.47 -0.49 114.94 117.94 2hw9 s ASN 95 Ca 0.52 0.27 0.09 0.00 -1.57 0.00 0.00 52.86 52.17 2hw9 s ASN 95 Cb -0.10 -1.72 -0.04 0.00 -0.02 0.00 0.00 41.25 39.37 2hw9 s ASN 95 CO 0.44 0.39 -0.18 0.42 -2.57 0.00 0.00 177.10 175.59 2hw9 s THR 96 N -0.93 1.85 -0.20 1.60 -4.23 0.22 -0.89 115.64 113.05 2hw9 s THR 96 Ca 0.14 -1.94 -0.02 0.00 -1.18 0.00 0.00 61.69 58.69 2hw9 s THR 96 Cb -0.12 -1.87 0.06 0.00 1.34 0.00 0.00 72.50 71.91 2hw9 s THR 96 CO 0.03 -0.32 0.01 -0.31 -0.54 0.00 0.00 174.62 173.49 2hw9 s TYR 97 N -2.07 1.45 -0.17 3.99 1.51 -1.26 -1.26 117.35 119.54 2hw9 s TYR 97 Ca 0.16 -1.12 -0.09 0.00 -1.01 0.00 0.00 57.07 55.01 2hw9 s TYR 97 Cb -0.06 -1.20 -0.05 0.00 -0.11 0.00 0.00 41.96 40.55 2hw9 s TYR 97 CO 0.07 -0.66 0.13 0.42 -1.11 0.00 0.00 175.55 174.40 2hw9 s ILE 98 N 1.71 5.40 -0.01 2.71 1.01 -0.56 -1.09 121.20 130.38 2hw9 s ILE 98 Ca -0.02 0.18 -0.31 0.00 0.00 0.00 0.00 60.65 60.50 2hw9 s ILE 98 Cb -0.17 -3.43 -0.09 0.00 0.01 0.00 0.00 42.46 38.77 2hw9 s ILE 98 CO -0.07 0.50 1.97 -0.24 0.00 0.00 0.00 174.94 177.10 2hw9 n SER 99 N 3.02 3.94 -0.13 3.58 2.88 -0.05 0.33 113.62 127.19 2hw9 n SER 99 Ca -0.17 0.87 -0.08 0.00 -1.33 0.00 0.00 58.87 58.15 2hw9 n SER 99 Cb 0.53 -1.49 -0.00 0.00 -0.75 0.00 0.00 64.21 62.50 2hw9 n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2hw9 h LYS 100 N 10.60 0.56 -0.96 -1.46 3.64 -1.55 -0.24 116.57 127.15 2hw9 h LYS 100 Ca -0.49 -0.06 0.12 0.00 -1.27 0.00 0.00 60.65 58.95 2hw9 h LYS 100 Cb 1.25 -0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.88 2hw9 h LYS 100 CO 0.94 0.44 0.61 -0.22 -2.27 0.00 0.00 179.45 178.96 2hw9 h LYS 101 N 0.53 0.89 -0.48 1.90 1.63 -1.77 -2.58 116.57 116.69 2hw9 h LYS 101 Ca 0.14 -0.05 -0.29 0.00 -0.85 0.00 0.00 60.65 59.60 2hw9 h LYS 101 Cb 0.04 -0.20 -0.18 0.00 -0.60 0.00 0.00 32.23 31.29 2hw9 h LYS 101 CO -0.02 0.59 -0.13 0.72 -3.45 0.00 0.00 179.45 177.16 2hw9 n HIS 102 N -4.59 1.55 -0.03 1.91 8.25 -1.10 -4.78 115.22 116.43 2hw9 n HIS 102 Ca 0.18 -1.85 0.01 0.00 -0.26 0.00 0.00 57.72 55.80 2hw9 n HIS 102 Cb 0.37 -0.56 0.31 0.00 1.12 0.00 0.00 29.99 31.23 2hw9 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hw9 h ALA 103 N 1.28 1.44 0.00 -1.41 0.00 -0.62 -2.19 119.26 117.77 2hw9 h ALA 103 Ca 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2hw9 h ALA 103 Cb 1.56 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 2hw9 h ALA 103 CO 0.56 0.41 -0.08 1.49 0.00 0.00 0.00 179.25 181.64 2hw9 h GLU 104 N 0.60 0.00 -0.12 0.00 4.81 -1.86 -1.73 114.58 116.27 2hw9 h GLU 104 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2hw9 h GLU 104 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2hw9 h GLU 104 CO -0.01 0.08 0.00 1.63 -0.73 0.00 0.00 179.01 179.98 2hw9 n LYS 105 N -3.81 1.95 -3.58 1.92 5.02 -0.83 -4.99 118.16 113.85 2hw9 n LYS 105 Ca -0.02 -1.41 -0.22 0.00 -2.02 0.00 0.00 58.31 54.64 2hw9 n LYS 105 Cb 0.17 -1.46 0.05 0.00 -0.02 0.00 0.00 35.03 33.77 2hw9 n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2hw9 n ASN 106 N 0.66 -3.35 -4.60 4.39 4.13 -0.65 -4.96 115.26 110.89 2hw9 n ASN 106 Ca 0.17 -0.82 -0.39 0.00 1.68 0.00 0.00 54.58 55.22 2hw9 n ASN 106 Cb 0.44 -4.24 -0.09 0.00 -1.54 0.00 0.00 39.78 34.34 2hw9 n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2hw9 s TRP 107 N -3.54 3.24 0.29 3.10 0.52 -1.24 -4.40 118.94 116.90 2hw9 s TRP 107 Ca 0.21 0.34 0.08 0.00 0.02 0.00 0.00 56.10 56.75 2hw9 s TRP 107 Cb -0.05 -2.57 -0.04 0.00 -1.15 0.00 0.00 33.47 29.66 2hw9 s TRP 107 CO 0.80 -0.25 0.12 -0.06 0.02 0.00 0.00 176.95 177.58 2hw9 s PHE 108 N 2.04 2.84 -0.03 -1.98 0.40 -1.26 -0.87 117.98 119.12 2hw9 s PHE 108 Ca 0.14 -0.23 -0.29 0.00 -0.60 0.00 0.00 56.93 55.94 2hw9 s PHE 108 Cb -0.16 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 41.93 2hw9 s PHE 108 CO 0.10 0.49 0.96 0.08 0.70 0.00 0.00 175.22 177.55 2hw9 s VAL 109 N -2.29 4.87 -0.03 -0.44 1.01 -0.25 -4.61 120.40 118.65 2hw9 s VAL 109 Ca 0.34 2.00 -0.23 0.00 0.00 0.00 0.00 61.98 64.09 2hw9 s VAL 109 Cb -0.06 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 32.08 2hw9 s VAL 109 CO 0.23 0.14 0.51 -0.83 0.00 0.00 0.00 175.10 175.14 2hw9 s GLY 110 N 1.01 -0.38 -0.08 4.51 0.00 -1.26 -4.45 107.32 106.67 2hw9 s GLY 110 Ca 0.50 0.84 0.04 0.00 0.00 0.00 0.00 44.72 46.10 2hw9 s GLY 110 CO 0.25 0.55 -0.19 1.08 0.00 0.00 0.00 173.10 174.79 2hw9 s LEU 111 N -1.29 2.39 0.80 0.66 1.43 -0.57 -0.99 118.68 121.12 2hw9 s LEU 111 Ca -0.12 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.46 2hw9 s LEU 111 Cb -0.02 -1.48 0.07 0.00 0.03 0.00 0.00 46.19 44.78 2hw9 s LEU 111 CO 0.07 0.23 1.13 -0.54 0.23 0.00 0.00 176.35 177.47 2hw9 s LYS 112 N -0.06 2.09 0.57 1.70 1.02 -0.03 -4.42 119.74 120.61 2hw9 s LYS 112 Ca -0.05 0.35 0.25 0.00 0.02 0.00 0.00 55.97 56.54 2hw9 s LYS 112 Cb -0.14 -1.94 1.62 0.00 -0.52 0.00 0.00 37.83 36.84 2hw9 s LYS 112 CO 0.04 -1.55 2.20 0.87 -0.92 0.00 0.00 175.35 175.99 2hw9 h LYS 113 N -1.03 0.00 -0.29 1.68 1.57 -1.87 -1.17 116.57 115.46 2hw9 h LYS 113 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2hw9 h LYS 113 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 2hw9 h LYS 113 CO 0.63 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.78 2hw9 n ASN 114 N -4.08 1.66 0.00 0.86 0.23 -1.26 -4.65 115.26 108.01 2hw9 n ASN 114 Ca -0.02 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 52.08 2hw9 n ASN 114 Cb 0.13 -0.19 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 2hw9 n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hw9 n GLY 115 N 1.02 1.16 3.86 4.83 0.00 -0.44 -4.99 105.19 110.63 2hw9 n GLY 115 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2hw9 n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hw9 s SER 116 N -3.07 6.69 0.37 1.61 1.04 -1.26 -0.65 113.70 118.43 2hw9 s SER 116 Ca 0.00 0.96 -0.27 0.00 0.48 0.00 0.00 55.95 57.12 2hw9 s SER 116 Cb 0.00 -2.24 -0.09 0.00 0.10 0.00 0.00 66.02 63.79 2hw9 s SER 116 CO 0.00 0.01 1.22 -0.69 0.98 0.00 0.00 173.24 174.77 2hw9 s VAL 117 N -1.65 2.97 -0.05 5.02 1.01 -1.26 -0.85 120.40 125.58 2hw9 s VAL 117 Ca 0.43 0.89 -0.22 0.00 0.00 0.00 0.00 61.98 63.08 2hw9 s VAL 117 Cb -0.13 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2hw9 s VAL 117 CO 0.20 0.15 0.64 -0.75 0.00 0.00 0.00 175.10 175.34 2hw9 s LYS 118 N -2.03 4.40 0.36 2.72 2.20 -0.16 -4.83 119.74 122.40 2hw9 s LYS 118 Ca 0.53 0.79 -0.27 0.00 -0.36 0.00 0.00 55.97 56.65 2hw9 s LYS 118 Cb -0.35 -3.41 -0.09 0.00 -1.51 0.00 0.00 37.83 32.46 2hw9 s LYS 118 CO 0.45 0.17 1.27 0.50 -0.36 0.00 0.00 175.35 177.38 2hw9 s ARG 119 N 0.46 4.22 0.23 4.03 3.52 -1.26 -4.50 118.95 125.64 2hw9 s ARG 119 Ca 0.34 2.11 -0.14 0.00 -0.13 0.00 0.00 55.73 57.91 2hw9 s ARG 119 Cb -0.18 -2.93 0.28 0.00 -1.56 0.00 0.00 34.95 30.56 2hw9 s ARG 119 CO 0.17 -0.26 1.59 0.78 -0.81 0.00 0.00 175.30 176.76 2hw9 h GLY 120 N 3.10 0.35 2.00 8.12 0.00 -1.17 0.23 103.07 115.70 2hw9 h GLY 120 Ca -0.49 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2hw9 h GLY 120 CO 0.64 -0.27 0.00 -2.55 0.00 0.00 0.00 176.54 174.36 2hw9 h PRO 121 N -0.04 0.00 -0.00 4.80 0.11 -1.86 -0.96 132.00 134.05 2hw9 h PRO 121 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 2hw9 h PRO 121 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 2hw9 h PRO 121 CO -0.82 0.00 -0.35 0.54 -0.21 0.00 0.00 178.00 177.16 2hw9 n ARG 122 N -2.83 0.17 -3.11 1.05 5.12 0.81 -4.87 116.66 113.00 2hw9 n ARG 122 Ca -0.02 -0.08 -0.24 0.00 -1.93 0.00 0.00 57.85 55.58 2hw9 n ARG 122 Cb 0.08 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 2hw9 n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2hw9 s THR 123 N -2.89 4.47 -0.24 0.55 -4.23 -0.36 -4.96 115.64 107.98 2hw9 s THR 123 Ca 0.15 -0.44 -0.34 0.00 -1.18 0.00 0.00 61.69 59.88 2hw9 s THR 123 Cb 0.18 -3.65 0.16 0.00 1.34 0.00 0.00 72.50 70.53 2hw9 s THR 123 CO 0.63 -0.45 1.27 -1.38 -0.54 0.00 0.00 174.62 174.15 2hw9 s HIS 124 N -2.48 -0.09 0.38 3.99 -3.43 -1.26 -4.84 115.29 107.55 2hw9 s HIS 124 Ca 0.45 0.09 -0.26 0.00 -0.80 0.00 0.00 55.06 54.55 2hw9 s HIS 124 Cb -0.10 0.50 -0.12 0.00 -1.43 0.00 0.00 32.58 31.44 2hw9 s HIS 124 CO 0.38 -0.13 1.04 0.66 -2.00 0.00 0.00 174.74 174.69 2hw9 n TYR 125 N 0.14 1.31 0.00 0.38 4.01 -1.26 -2.66 117.16 119.07 2hw9 n TYR 125 Ca 0.01 0.60 0.00 0.00 -0.16 0.00 0.00 57.90 58.34 2hw9 n TYR 125 Cb 0.58 -2.25 0.00 0.00 -0.31 0.00 0.00 39.34 37.35 2hw9 n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hw9 n GLY 126 N 1.15 1.24 3.87 2.72 0.00 -1.26 -5.07 105.19 107.84 2hw9 n GLY 126 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2hw9 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hw9 s GLN 127 N -0.97 3.78 0.25 1.61 -0.21 -1.09 -4.97 119.66 118.06 2hw9 s GLN 127 Ca 0.00 0.47 0.14 0.00 0.02 0.00 0.00 55.36 55.99 2hw9 s GLN 127 Cb 0.00 -2.39 0.04 0.00 1.00 0.00 0.00 33.01 31.65 2hw9 s GLN 127 CO 0.00 -0.03 1.42 0.87 -2.12 0.00 0.00 175.29 175.43 2hw9 h LYS 128 N 1.27 0.00 -0.12 2.91 1.79 -1.97 -3.30 116.57 117.16 2hw9 h LYS 128 Ca -0.47 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.03 2hw9 h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2hw9 h LYS 128 CO 0.64 0.59 0.10 0.00 -1.08 0.00 0.00 179.45 179.70 2hw9 h ALA 129 N 1.41 1.89 -0.02 3.86 0.00 -1.94 -2.50 119.26 121.97 2hw9 h ALA 129 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hw9 h ALA 129 Cb 1.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2hw9 h ALA 129 CO 0.08 -0.16 -0.01 0.44 0.00 0.00 0.00 179.25 179.59 2hw9 n ILE 130 N -4.15 0.00 -3.25 0.00 -5.35 -1.24 -1.51 119.36 103.86 2hw9 n ILE 130 Ca -0.00 -0.26 -0.41 0.00 -0.27 0.00 0.00 62.75 61.81 2hw9 n ILE 130 Cb 0.22 0.54 -0.08 0.00 -1.74 0.00 0.00 39.64 38.57 2hw9 n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2hw9 s LEU 131 N -2.02 4.31 0.22 7.28 1.43 -0.94 -4.41 118.68 124.55 2hw9 s LEU 131 Ca 0.37 0.02 0.11 0.00 -1.03 0.00 0.00 54.13 53.60 2hw9 s LEU 131 Cb 0.21 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 2hw9 s LEU 131 CO 0.34 -0.44 -0.18 -0.36 0.23 0.00 0.00 176.35 175.94 2hw9 s PHE 132 N 2.35 2.41 -0.11 0.29 0.40 -0.07 -2.45 117.98 120.79 2hw9 s PHE 132 Ca 0.18 -0.31 -0.00 0.00 -0.60 0.00 0.00 56.93 56.20 2hw9 s PHE 132 Cb -0.16 -1.14 0.02 0.00 0.51 0.00 0.00 43.02 42.26 2hw9 s PHE 132 CO 0.13 0.57 -0.08 -0.51 0.70 0.00 0.00 175.22 176.02 2hw9 s LEU 133 N -2.99 1.21 -0.32 -0.37 1.43 0.44 -0.39 118.68 117.69 2hw9 s LEU 133 Ca 0.25 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.75 2hw9 s LEU 133 Cb -0.07 -0.85 0.01 0.00 0.03 0.00 0.00 46.19 45.31 2hw9 s LEU 133 CO 0.13 -0.11 1.17 -2.16 0.23 0.00 0.00 176.35 175.61 2hw9 s PRO 134 N 1.68 3.99 0.07 1.29 0.04 -1.26 -1.36 135.00 139.45 2hw9 s PRO 134 Ca 0.05 1.12 0.02 0.00 0.04 0.00 0.00 61.00 62.23 2hw9 s PRO 134 Cb -0.13 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 2hw9 s PRO 134 CO -0.08 -1.02 0.10 -0.51 0.04 0.00 0.00 177.00 175.54 2hw9 s LEU 135 N 3.99 3.91 0.88 -3.56 1.43 0.52 -4.89 118.68 120.97 2hw9 s LEU 135 Ca 0.50 0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.54 2hw9 s LEU 135 Cb -0.14 -2.57 0.12 0.00 0.03 0.00 0.00 46.19 43.63 2hw9 s LEU 135 CO 0.20 0.17 1.11 -2.16 0.23 0.00 0.00 176.35 175.89 2hw9 s PRO 136 N -2.40 1.34 0.00 1.29 0.04 -1.26 -0.51 135.00 133.50 2hw9 s PRO 136 Ca 0.30 1.20 0.29 0.00 0.04 0.00 0.00 61.00 62.83 2hw9 s PRO 136 Cb -0.12 -1.79 1.20 0.00 0.04 0.00 0.00 34.50 33.83 2hw9 s PRO 136 CO 0.23 -2.30 1.83 0.28 0.04 0.00 0.00 177.00 177.08