#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rg8 n HIS -2 N 0.00 0.08 -4.08 4.41 -0.00 -1.26 -4.99 115.22 109.38 1rg8 n HIS -2 Ca 0.00 0.02 -0.07 0.00 -0.00 0.00 0.00 57.72 57.67 1rg8 n HIS -2 Cb 0.00 -0.26 -0.10 0.00 -0.00 0.00 0.00 29.99 29.62 1rg8 n HIS -2 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1rg8 s HIS -1 N -3.04 0.50 1.34 4.41 0.09 -1.26 -5.04 115.29 112.29 1rg8 s HIS -1 Ca 0.09 -0.98 -0.20 0.00 -0.00 0.00 0.00 55.06 53.97 1rg8 s HIS -1 Cb 0.16 -0.37 0.34 0.00 -0.00 0.00 0.00 32.58 32.72 1rg8 s HIS -1 CO 0.75 -0.34 0.97 -3.38 -0.00 0.00 0.00 174.74 172.73 1rg8 s HIS 0 N -3.54 0.01 -0.08 1.40 -0.00 -1.26 -5.01 115.29 106.80 1rg8 s HIS 0 Ca 0.04 0.73 0.21 0.00 -0.00 0.00 0.00 55.06 56.05 1rg8 s HIS 0 Cb 0.05 -2.98 0.44 0.00 -0.00 0.00 0.00 32.58 30.08 1rg8 s HIS 0 CO -0.08 -4.62 1.18 0.34 -0.00 0.00 0.00 174.74 171.55 1rg8 n PHE 1 N -5.39 0.20 -2.50 0.38 7.35 -1.26 -5.03 117.46 111.20 1rg8 n PHE 1 Ca 0.10 -0.94 -0.43 0.00 -0.76 0.00 0.00 57.45 55.42 1rg8 n PHE 1 Cb 0.58 -0.19 -0.02 0.00 0.35 0.00 0.00 39.48 40.20 1rg8 n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1rg8 s ASN 2 N -2.51 7.04 0.02 -2.13 0.01 -1.26 -5.03 114.94 111.08 1rg8 s ASN 2 Ca 0.35 1.66 0.01 0.00 -0.71 0.00 0.00 52.86 54.17 1rg8 s ASN 2 Cb 0.38 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.46 1rg8 s ASN 2 CO -0.13 -0.65 0.05 -0.76 -1.51 0.00 0.00 177.10 174.09 1rg8 s LEU 3 N 2.86 3.71 0.74 0.60 1.43 -1.26 -1.08 118.68 125.68 1rg8 s LEU 3 Ca 0.53 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.55 1rg8 s LEU 3 Cb -0.21 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 43.82 1rg8 s LEU 3 CO 0.16 0.25 1.08 -2.16 0.23 0.00 0.00 176.35 175.91 1rg8 s PRO 4 N -1.85 2.58 0.01 1.29 0.04 -1.26 -4.57 135.00 131.24 1rg8 s PRO 4 Ca 0.23 0.76 0.25 0.00 0.04 0.00 0.00 61.00 62.28 1rg8 s PRO 4 Cb -0.12 -1.97 0.53 0.00 0.04 0.00 0.00 34.50 32.98 1rg8 s PRO 4 CO 0.15 -1.30 1.43 -0.35 0.04 0.00 0.00 177.00 176.97 1rg8 n PRO 5 N -3.24 0.04 0.00 0.56 -0.04 -1.26 -4.92 135.00 126.14 1rg8 n PRO 5 Ca 0.07 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1rg8 n PRO 5 Cb 0.55 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1rg8 n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rg8 n GLY 6 N 1.48 -2.44 3.56 0.55 0.00 -1.26 -5.11 105.19 101.97 1rg8 n GLY 6 Ca 0.05 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 1rg8 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rg8 s ASN 7 N -1.51 0.67 -0.10 1.61 2.20 -1.26 -5.06 114.94 111.49 1rg8 s ASN 7 Ca 0.00 -1.38 0.14 0.00 -0.94 0.00 0.00 52.86 50.68 1rg8 s ASN 7 Cb 0.00 0.69 0.41 0.00 -2.00 0.00 0.00 41.25 40.35 1rg8 s ASN 7 CO 0.00 -1.36 1.33 -1.22 -2.94 0.00 0.00 177.10 172.91 1rg8 n TYR 8 N -0.54 0.68 0.11 1.54 4.01 -1.26 -4.70 117.16 117.00 1rg8 n TYR 8 Ca -0.01 -0.72 -0.01 0.00 -0.16 0.00 0.00 57.90 57.00 1rg8 n TYR 8 Cb 0.61 -0.18 0.24 0.00 -0.31 0.00 0.00 39.34 39.70 1rg8 n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1rg8 h LYS 9 N 1.74 0.17 -6.36 -0.72 1.57 -1.97 -3.45 116.57 107.56 1rg8 h LYS 9 Ca 0.00 -0.08 -0.61 0.00 -1.87 0.00 0.00 60.65 58.09 1rg8 h LYS 9 Cb 1.11 -0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.23 1rg8 h LYS 9 CO 0.12 0.58 -0.81 0.15 -0.57 0.00 0.00 179.45 178.92 1rg8 s LYS 10 N -4.09 1.43 0.96 3.15 1.02 -1.26 -5.14 119.74 115.81 1rg8 s LYS 10 Ca -0.04 -1.48 -0.11 0.00 0.02 0.00 0.00 55.97 54.35 1rg8 s LYS 10 Cb 0.13 -1.66 0.17 0.00 -0.52 0.00 0.00 37.83 35.95 1rg8 s LYS 10 CO 0.76 0.35 1.09 -1.25 -0.92 0.00 0.00 175.35 175.38 1rg8 s PRO 11 N -2.71 0.70 0.08 -1.68 0.05 -1.26 -4.75 135.00 125.43 1rg8 s PRO 11 Ca 0.19 0.98 -0.03 0.00 0.05 0.00 0.00 61.00 62.19 1rg8 s PRO 11 Cb -0.07 -1.73 -0.03 0.00 0.05 0.00 0.00 34.50 32.71 1rg8 s PRO 11 CO 0.09 -2.67 0.04 0.15 0.05 0.00 0.00 177.00 174.66 1rg8 s LYS 12 N -4.76 0.74 -0.07 4.56 -0.14 0.87 -4.11 119.74 116.84 1rg8 s LYS 12 Ca 0.65 -1.22 -0.12 0.00 -1.36 0.00 0.00 55.97 53.92 1rg8 s LYS 12 Cb -0.21 0.25 -0.05 0.00 -1.68 0.00 0.00 37.83 36.14 1rg8 s LYS 12 CO 0.59 -0.18 0.31 -0.51 -0.76 0.00 0.00 175.35 174.80 1rg8 s LEU 13 N -2.94 4.41 -0.47 3.17 1.43 0.33 -0.89 118.68 123.72 1rg8 s LEU 13 Ca 0.11 0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 53.82 1rg8 s LEU 13 Cb 0.07 -2.40 0.10 0.00 0.03 0.00 0.00 46.19 43.99 1rg8 s LEU 13 CO -0.07 0.31 0.37 -0.76 0.23 0.00 0.00 176.35 176.42 1rg8 s LEU 14 N -0.77 5.63 -0.20 1.79 1.43 -1.26 -0.56 118.68 124.73 1rg8 s LEU 14 Ca 0.20 -1.62 -0.18 0.00 -1.03 0.00 0.00 54.13 51.51 1rg8 s LEU 14 Cb -0.15 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1rg8 s LEU 14 CO 0.09 -0.67 0.48 -0.47 0.23 0.00 0.00 176.35 176.00 1rg8 s TYR 15 N 1.50 3.37 -0.28 0.29 5.04 -0.51 -1.45 117.35 125.31 1rg8 s TYR 15 Ca 0.04 0.71 -0.12 0.00 -2.44 0.00 0.00 57.07 55.27 1rg8 s TYR 15 Cb -0.26 -2.62 -0.05 0.00 0.35 0.00 0.00 41.96 39.39 1rg8 s TYR 15 CO 0.03 -0.07 0.22 0.00 -1.34 0.00 0.00 175.55 174.38 1rg8 h SER 17 N 8.35 0.00 0.41 0.00 4.64 -1.84 0.70 113.55 125.82 1rg8 h SER 17 Ca -0.34 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.96 1rg8 h SER 17 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1rg8 h SER 17 CO 0.57 0.00 -0.30 -1.13 -0.87 0.00 0.00 176.83 175.10 1rg8 h ASN 18 N 0.00 -0.78 -0.02 4.97 -1.24 -1.84 -3.27 115.58 113.40 1rg8 h ASN 18 Ca 0.19 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.25 1rg8 h ASN 18 Cb 0.79 0.24 0.00 0.00 0.73 0.00 0.00 38.32 40.08 1rg8 h ASN 18 CO -0.00 -0.43 -0.09 0.61 -1.29 0.00 0.00 177.43 176.23 1rg8 n GLY 19 N -1.36 0.25 2.15 1.57 0.00 -1.25 -4.76 105.19 101.79 1rg8 n GLY 19 Ca -0.08 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.36 1rg8 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rg8 n GLY 20 N 1.04 0.47 3.71 -0.02 0.00 0.22 -4.99 105.19 105.63 1rg8 n GLY 20 Ca 0.10 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1rg8 n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rg8 s HIS 21 N -3.10 3.04 -0.03 1.61 3.76 -1.11 -4.51 115.29 114.95 1rg8 s HIS 21 Ca 0.18 -0.01 -0.17 0.00 -0.15 0.00 0.00 55.06 54.91 1rg8 s HIS 21 Cb -0.08 -1.55 -0.05 0.00 1.11 0.00 0.00 32.58 32.01 1rg8 s HIS 21 CO 0.23 0.49 0.48 -0.06 -0.85 0.00 0.00 174.74 175.04 1rg8 s PHE 22 N -1.38 3.67 0.21 1.40 0.08 0.39 -0.03 117.98 122.30 1rg8 s PHE 22 Ca 0.27 1.04 -0.31 0.00 0.12 0.00 0.00 56.93 58.05 1rg8 s PHE 22 Cb -0.12 -2.45 -0.10 0.00 -0.57 0.00 0.00 43.02 39.78 1rg8 s PHE 22 CO 0.20 0.44 1.49 -1.17 -0.10 0.00 0.00 175.22 176.08 1rg8 s LEU 23 N -0.41 4.38 -0.04 -0.37 2.96 -0.53 -1.68 118.68 122.99 1rg8 s LEU 23 Ca 0.26 2.63 0.03 0.00 -0.22 0.00 0.00 54.13 56.83 1rg8 s LEU 23 Cb -0.17 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.92 1rg8 s LEU 23 CO 0.14 -0.76 -0.10 -0.60 -1.32 0.00 0.00 176.35 173.71 1rg8 s ARG 24 N 0.35 1.20 -0.31 1.98 3.52 0.31 -4.45 118.95 121.55 1rg8 s ARG 24 Ca 0.64 -0.34 0.02 0.00 -0.13 0.00 0.00 55.73 55.92 1rg8 s ARG 24 Cb -0.42 -1.07 0.08 0.00 -1.56 0.00 0.00 34.95 31.97 1rg8 s ARG 24 CO 0.37 0.09 -0.01 0.42 -0.81 0.00 0.00 175.30 175.37 1rg8 s ILE 25 N 0.35 2.43 0.60 4.11 1.01 -0.91 -1.67 121.20 127.12 1rg8 s ILE 25 Ca -0.06 -1.90 -0.12 0.00 0.00 0.00 0.00 60.65 58.56 1rg8 s ILE 25 Cb -0.11 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 1rg8 s ILE 25 CO 0.01 -0.31 1.02 -0.76 0.00 0.00 0.00 174.94 174.91 1rg8 s LEU 26 N 1.05 3.32 0.44 2.97 1.43 0.14 -4.81 118.68 123.22 1rg8 s LEU 26 Ca 0.00 1.49 0.18 0.00 -1.03 0.00 0.00 54.13 54.77 1rg8 s LEU 26 Cb -0.20 -4.48 1.11 0.00 0.03 0.00 0.00 46.19 42.65 1rg8 s LEU 26 CO -0.05 -0.87 1.90 -0.65 0.23 0.00 0.00 176.35 176.91 1rg8 h PRO 27 N -0.04 0.35 -0.08 1.29 0.11 -1.98 -0.77 132.00 130.87 1rg8 h PRO 27 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1rg8 h PRO 27 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1rg8 h PRO 27 CO 0.61 0.23 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 1rg8 n ASP 28 N -4.47 0.55 0.00 -2.05 5.68 -1.26 -4.87 116.55 110.13 1rg8 n ASP 28 Ca 0.16 -1.74 0.00 0.00 -0.50 0.00 0.00 54.79 52.70 1rg8 n ASP 28 Cb 0.61 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 1rg8 n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rg8 n GLY 29 N 0.79 0.58 3.77 6.12 0.00 -0.30 -4.97 105.19 111.18 1rg8 n GLY 29 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1rg8 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rg8 s THR 30 N -2.27 2.50 -0.07 2.61 2.01 -1.26 -0.83 115.64 118.33 1rg8 s THR 30 Ca 0.00 0.46 0.04 0.00 0.31 0.00 0.00 61.69 62.49 1rg8 s THR 30 Cb 0.00 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.24 1rg8 s THR 30 CO 0.00 0.07 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.13 1rg8 s VAL 31 N -1.23 1.61 0.00 3.82 1.01 -1.26 -0.68 120.40 123.66 1rg8 s VAL 31 Ca 0.56 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1rg8 s VAL 31 Cb -0.40 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1rg8 s VAL 31 CO 0.51 0.46 0.00 -0.90 0.00 0.00 0.00 175.10 175.17 1rg8 n ASP 32 N 3.47 0.00 -4.31 3.32 5.75 -0.67 -4.52 116.55 119.58 1rg8 n ASP 32 Ca -0.20 -0.51 -0.22 0.00 -0.01 0.00 0.00 54.79 53.86 1rg8 n ASP 32 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 1rg8 n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1rg8 s GLY 33 N -0.51 1.33 0.01 6.12 0.00 0.72 -0.53 107.32 114.47 1rg8 s GLY 33 Ca 0.00 -1.43 -0.01 0.00 0.00 0.00 0.00 44.72 43.28 1rg8 s GLY 33 CO 0.00 -1.48 -0.00 -1.08 0.00 0.00 0.00 173.10 170.54 1rg8 s THR 34 N -1.95 0.09 -2.48 0.90 -1.32 -0.68 -4.82 115.64 105.38 1rg8 s THR 34 Ca 0.14 -0.74 0.27 0.00 -1.21 0.00 0.00 61.69 60.15 1rg8 s THR 34 Cb -0.06 -0.25 0.49 0.00 -1.51 0.00 0.00 72.50 71.17 1rg8 s THR 34 CO 0.06 -0.41 1.68 0.54 -2.21 0.00 0.00 174.62 174.28 1rg8 n ARG 35 N 1.81 1.66 -2.67 7.08 1.74 -1.26 -0.47 116.66 124.55 1rg8 n ARG 35 Ca -0.22 -1.02 -0.42 0.00 -0.77 0.00 0.00 57.85 55.42 1rg8 n ARG 35 Cb 0.56 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.49 1rg8 n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1rg8 s ASP 36 N -2.04 6.32 0.11 0.55 2.15 -1.26 -4.87 116.67 117.62 1rg8 s ASP 36 Ca 0.36 -0.26 0.17 0.00 0.43 0.00 0.00 52.55 53.25 1rg8 s ASP 36 Cb 0.21 -2.51 0.73 0.00 -0.30 0.00 0.00 42.92 41.05 1rg8 s ASP 36 CO 0.35 -1.50 1.53 -1.14 -0.17 0.00 0.00 175.17 174.24 1rg8 n ARG 37 N 8.33 0.08 0.00 4.34 0.63 -1.26 -1.63 116.66 127.15 1rg8 n ARG 37 Ca 0.04 0.35 0.14 0.00 -0.92 0.00 0.00 57.85 57.46 1rg8 n ARG 37 Cb 0.48 -1.65 0.63 0.00 0.45 0.00 0.00 32.46 32.37 1rg8 n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1rg8 n SER 38 N -1.80 1.12 -4.77 6.15 3.41 -1.26 -4.93 113.62 111.53 1rg8 n SER 38 Ca 0.03 -1.37 -0.41 0.00 -0.26 0.00 0.00 58.87 56.86 1rg8 n SER 38 Cb 0.17 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.11 1rg8 n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rg8 s ASP 39 N -2.00 6.58 0.00 4.04 -1.08 -0.64 -4.91 116.67 118.65 1rg8 s ASP 39 Ca 0.40 2.78 0.29 0.00 -0.52 0.00 0.00 52.55 55.51 1rg8 s ASP 39 Cb 0.21 -2.65 1.28 0.00 -1.46 0.00 0.00 42.92 40.30 1rg8 s ASP 39 CO 0.35 -0.68 1.88 0.00 0.52 0.00 0.00 175.17 177.23 1rg8 n GLN 40 N 0.59 1.36 -0.22 4.34 1.13 -1.26 -4.10 117.38 119.22 1rg8 n GLN 40 Ca 0.01 -0.62 0.06 0.00 -1.94 0.00 0.00 57.00 54.51 1rg8 n GLN 40 Cb 0.41 -1.49 0.16 0.00 0.11 0.00 0.00 30.24 29.44 1rg8 n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1rg8 n HIS 41 N -0.28 0.52 0.92 1.08 8.25 -1.26 -4.42 115.22 120.03 1rg8 n HIS 41 Ca 0.20 -0.61 0.10 0.00 -0.26 0.00 0.00 57.72 57.15 1rg8 n HIS 41 Cb 0.28 -0.11 0.02 0.00 1.12 0.00 0.00 29.99 31.30 1rg8 n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1rg8 n ILE 42 N 0.09 0.00 -2.87 1.59 -5.35 -1.26 -2.13 119.36 109.43 1rg8 n ILE 42 Ca 0.13 -0.33 -0.42 0.00 -0.27 0.00 0.00 62.75 61.86 1rg8 n ILE 42 Cb 0.53 1.29 -0.04 0.00 -1.74 0.00 0.00 39.64 39.68 1rg8 n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1rg8 s GLN 43 N -2.22 4.09 -0.02 6.28 1.11 -1.26 -4.43 119.66 123.21 1rg8 s GLN 43 Ca 0.19 0.84 0.06 0.00 0.01 0.00 0.00 55.36 56.46 1rg8 s GLN 43 Cb 0.17 -3.69 -0.01 0.00 -1.01 0.00 0.00 33.01 28.47 1rg8 s GLN 43 CO 0.47 -0.63 -0.22 -0.51 0.01 0.00 0.00 175.29 174.42 1rg8 s LEU 44 N 2.99 2.03 -0.25 2.90 1.43 -0.07 -1.54 118.68 126.19 1rg8 s LEU 44 Ca 0.35 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 1rg8 s LEU 44 Cb -0.14 -1.13 -0.00 0.00 0.03 0.00 0.00 46.19 44.95 1rg8 s LEU 44 CO 0.10 0.26 -0.00 -1.58 0.23 0.00 0.00 176.35 175.35 1rg8 s GLN 45 N -0.43 3.26 0.21 1.70 2.00 0.95 -0.09 119.66 127.25 1rg8 s GLN 45 Ca 0.06 -0.72 -0.06 0.00 -2.00 0.00 0.00 55.36 52.65 1rg8 s GLN 45 Cb -0.09 -3.13 -0.06 0.00 0.80 0.00 0.00 33.01 30.53 1rg8 s GLN 45 CO -0.00 -0.29 0.47 -0.51 -0.50 0.00 0.00 175.29 174.46 1rg8 s LEU 46 N 1.48 4.18 -0.06 3.68 1.02 -1.26 -1.15 118.68 126.56 1rg8 s LEU 46 Ca 0.04 0.70 -0.13 0.00 0.02 0.00 0.00 54.13 54.76 1rg8 s LEU 46 Cb -0.15 -3.46 0.03 0.00 0.02 0.00 0.00 46.19 42.62 1rg8 s LEU 46 CO -0.01 -0.06 0.32 -0.94 0.02 0.00 0.00 176.35 175.68 1rg8 s SER 47 N -2.68 -0.26 -0.21 2.29 1.04 -0.90 -4.80 113.70 108.19 1rg8 s SER 47 Ca 0.43 0.34 -0.16 0.00 0.48 0.00 0.00 55.95 57.05 1rg8 s SER 47 Cb -0.11 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 1rg8 s SER 47 CO 0.25 -0.30 0.41 0.00 0.98 0.00 0.00 173.24 174.59 1rg8 s ALA 48 N -0.66 3.56 -0.10 5.32 0.00 -1.26 -1.45 121.76 127.18 1rg8 s ALA 48 Ca -0.08 -0.54 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 1rg8 s ALA 48 Cb -0.04 -2.66 -0.27 0.00 0.00 0.00 0.00 23.12 20.14 1rg8 s ALA 48 CO 0.02 -0.36 0.53 0.93 0.00 0.00 0.00 175.76 176.88 1rg8 h GLU 49 N 7.47 0.27 -4.65 0.00 4.39 -1.55 -3.48 114.58 117.03 1rg8 h GLU 49 Ca -0.35 -0.46 -0.26 0.00 0.34 0.00 0.00 59.36 58.63 1rg8 h GLU 49 Cb 1.16 0.17 -0.15 0.00 -0.10 0.00 0.00 28.75 29.83 1rg8 h GLU 49 CO 0.71 1.22 -0.62 -1.12 -1.16 0.00 0.00 179.01 178.04 1rg8 s SER 50 N -7.08 0.46 0.08 1.42 0.01 -1.23 -5.03 113.70 102.33 1rg8 s SER 50 Ca -0.20 -1.36 -0.32 0.00 1.31 0.00 0.00 55.95 55.38 1rg8 s SER 50 Cb 0.05 0.31 -0.11 0.00 0.21 0.00 0.00 66.02 66.48 1rg8 s SER 50 CO 0.78 -0.79 1.83 0.52 0.41 0.00 0.00 173.24 175.98 1rg8 n VAL 51 N -0.30 0.40 -0.99 3.43 0.31 -1.26 -1.17 118.33 118.75 1rg8 n VAL 51 Ca 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1rg8 n VAL 51 Cb 0.66 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 1rg8 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rg8 n GLY 52 N 4.18 0.77 3.25 2.92 0.00 -1.26 -5.02 105.19 110.03 1rg8 n GLY 52 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1rg8 n GLY 52 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rg8 s GLU 53 N -0.04 3.17 0.13 1.61 2.12 -0.32 -1.17 118.70 124.21 1rg8 s GLU 53 Ca 0.00 -0.78 0.06 0.00 0.36 0.00 0.00 54.97 54.61 1rg8 s GLU 53 Cb 0.00 -2.55 -0.04 0.00 0.26 0.00 0.00 34.13 31.81 1rg8 s GLU 53 CO 0.00 0.05 -0.15 0.14 -0.54 0.00 0.00 175.26 174.76 1rg8 s VAL 54 N 0.72 1.44 0.12 3.70 -7.23 0.36 -1.28 120.40 118.23 1rg8 s VAL 54 Ca -0.08 -1.79 -0.04 0.00 -1.81 0.00 0.00 61.98 58.26 1rg8 s VAL 54 Cb -0.16 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.11 1rg8 s VAL 54 CO 0.01 -0.41 0.35 -0.31 -0.31 0.00 0.00 175.10 174.43 1rg8 s TYR 55 N -2.19 3.49 -0.25 2.82 2.02 -0.53 -1.46 117.35 121.26 1rg8 s TYR 55 Ca 0.11 0.52 0.01 0.00 -0.37 0.00 0.00 57.07 57.34 1rg8 s TYR 55 Cb -0.05 -1.97 0.06 0.00 -0.40 0.00 0.00 41.96 39.60 1rg8 s TYR 55 CO 0.04 0.46 -0.06 0.42 -1.57 0.00 0.00 175.55 174.84 1rg8 s ILE 56 N -1.62 1.73 -0.05 2.71 1.01 -1.26 -2.12 121.20 121.59 1rg8 s ILE 56 Ca 0.40 -1.40 0.06 0.00 0.00 0.00 0.00 60.65 59.70 1rg8 s ILE 56 Cb -0.12 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 1rg8 s ILE 56 CO 0.25 -0.12 -0.22 -0.75 0.00 0.00 0.00 174.94 174.10 1rg8 s LYS 57 N 1.29 2.50 0.01 2.79 2.20 -0.30 -0.49 119.74 127.74 1rg8 s LYS 57 Ca -0.06 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 54.40 1rg8 s LYS 57 Cb -0.19 -2.21 -0.06 0.00 -1.51 0.00 0.00 37.83 33.85 1rg8 s LYS 57 CO -0.06 0.46 1.50 0.45 -0.36 0.00 0.00 175.35 177.33 1rg8 s SER 58 N -0.34 6.76 0.22 1.43 0.15 0.64 -0.04 113.70 122.53 1rg8 s SER 58 Ca 0.02 2.21 0.07 0.00 0.70 0.00 0.00 55.95 58.96 1rg8 s SER 58 Cb -0.12 -2.56 0.15 0.00 -1.71 0.00 0.00 66.02 61.78 1rg8 s SER 58 CO 0.02 -0.79 1.49 0.71 1.20 0.00 0.00 173.24 175.87 1rg8 h THR 59 N 4.99 1.50 -0.37 6.45 1.35 -1.61 0.42 112.91 125.64 1rg8 h THR 59 Ca -0.39 -2.47 -0.15 0.00 -0.55 0.00 0.00 66.41 62.85 1rg8 h THR 59 Cb 1.18 2.33 -0.01 0.00 -1.73 0.00 0.00 68.15 69.93 1rg8 h THR 59 CO 0.92 0.71 -0.36 -0.08 -0.25 0.00 0.00 175.52 176.46 1rg8 h GLU 60 N 0.04 0.87 0.00 4.72 4.57 -1.80 -3.38 114.58 119.61 1rg8 h GLU 60 Ca -0.02 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1rg8 h GLU 60 Cb 1.32 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1rg8 h GLU 60 CO 0.10 1.08 -0.94 0.25 -1.18 0.00 0.00 179.01 178.33 1rg8 n THR 61 N -4.06 0.00 -0.42 0.32 -2.24 -1.23 -5.02 114.28 101.63 1rg8 n THR 61 Ca -0.02 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1rg8 n THR 61 Cb 0.53 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 1rg8 n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rg8 n GLY 62 N 1.85 1.36 3.78 3.38 0.00 0.14 -5.02 105.19 110.68 1rg8 n GLY 62 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1rg8 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rg8 s GLN 63 N -0.29 3.75 -0.12 1.61 -0.21 -1.26 -4.68 119.66 118.46 1rg8 s GLN 63 Ca 0.00 1.61 -0.10 0.00 0.02 0.00 0.00 55.36 56.89 1rg8 s GLN 63 Cb 0.00 -2.29 -0.05 0.00 1.00 0.00 0.00 33.01 31.68 1rg8 s GLN 63 CO 0.00 -0.52 0.22 0.71 -2.12 0.00 0.00 175.29 173.58 1rg8 s TYR 64 N -1.70 3.56 0.30 0.91 1.51 0.14 -0.26 117.35 121.83 1rg8 s TYR 64 Ca 0.65 0.60 -0.29 0.00 -1.01 0.00 0.00 57.07 57.02 1rg8 s TYR 64 Cb -0.24 -2.13 -0.10 0.00 -0.11 0.00 0.00 41.96 39.38 1rg8 s TYR 64 CO 0.29 0.54 1.42 -1.17 -1.11 0.00 0.00 175.55 175.52 1rg8 s LEU 65 N -0.50 4.38 0.04 -1.29 2.96 0.35 -0.48 118.68 124.14 1rg8 s LEU 65 Ca 0.16 2.77 -0.11 0.00 -0.22 0.00 0.00 54.13 56.73 1rg8 s LEU 65 Cb -0.13 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 42.93 1rg8 s LEU 65 CO 0.05 -0.70 0.23 0.00 -1.32 0.00 0.00 176.35 174.61 1rg8 s ALA 66 N -0.58 -0.47 -0.15 5.97 0.00 -0.27 -4.35 121.76 121.91 1rg8 s ALA 66 Ca 0.55 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1rg8 s ALA 66 Cb -0.43 0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1rg8 s ALA 66 CO 0.50 -0.37 -0.20 1.41 0.00 0.00 0.00 175.76 177.10 1rg8 s MET 67 N -2.51 2.89 0.92 0.00 1.75 -0.61 -0.97 119.30 120.78 1rg8 s MET 67 Ca -0.05 -0.80 -0.16 0.00 -1.25 0.00 0.00 55.69 53.43 1rg8 s MET 67 Cb -0.01 -2.40 0.21 0.00 2.84 0.00 0.00 34.83 35.47 1rg8 s MET 67 CO -0.03 -0.08 1.26 -0.40 -0.65 0.00 0.00 175.02 175.11 1rg8 n ASP 68 N 4.26 0.10 0.17 1.11 5.68 0.04 -4.77 116.55 123.14 1rg8 n ASP 68 Ca -0.20 -1.46 0.14 0.00 -0.50 0.00 0.00 54.79 52.77 1rg8 n ASP 68 Cb 0.51 -0.96 0.56 0.00 -1.14 0.00 0.00 41.12 40.09 1rg8 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rg8 h THR 69 N -1.72 0.00 -0.62 2.12 1.03 -2.01 -0.75 112.91 110.96 1rg8 h THR 69 Ca -0.41 -0.29 0.00 0.00 -0.01 0.00 0.00 66.41 65.71 1rg8 h THR 69 Cb 1.12 1.08 0.00 0.00 -1.07 0.00 0.00 68.15 69.28 1rg8 h THR 69 CO 0.29 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.27 1rg8 n ASP 70 N -2.48 4.02 0.00 0.00 8.00 -1.26 -4.96 116.55 119.87 1rg8 n ASP 70 Ca 0.01 -2.18 0.00 0.00 0.71 0.00 0.00 54.79 53.34 1rg8 n ASP 70 Cb 0.24 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1rg8 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rg8 n GLY 71 N 1.20 0.58 3.79 0.44 0.00 -0.29 -4.63 105.19 106.29 1rg8 n GLY 71 Ca 0.23 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1rg8 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rg8 s LEU 72 N 0.00 4.39 0.34 0.99 1.43 -1.26 -0.45 118.68 124.12 1rg8 s LEU 72 Ca 0.00 0.85 -0.27 0.00 -1.03 0.00 0.00 54.13 53.68 1rg8 s LEU 72 Cb 0.00 -2.57 -0.09 0.00 0.03 0.00 0.00 46.19 43.56 1rg8 s LEU 72 CO 0.00 0.21 1.08 -0.76 0.23 0.00 0.00 176.35 177.11 1rg8 s LEU 73 N -0.43 4.35 0.16 1.79 1.43 -1.26 -0.78 118.68 123.95 1rg8 s LEU 73 Ca 0.23 2.17 -0.14 0.00 -1.03 0.00 0.00 54.13 55.36 1rg8 s LEU 73 Cb -0.16 -3.89 0.02 0.00 0.03 0.00 0.00 46.19 42.19 1rg8 s LEU 73 CO 0.11 -0.32 0.39 -0.72 0.23 0.00 0.00 176.35 176.05 1rg8 s TYR 74 N -1.39 0.05 -0.22 0.29 1.13 -0.14 -4.49 117.35 112.58 1rg8 s TYR 74 Ca 0.51 -0.41 -0.16 0.00 -1.41 0.00 0.00 57.07 55.60 1rg8 s TYR 74 Cb -0.27 0.18 -0.04 0.00 -1.10 0.00 0.00 41.96 40.73 1rg8 s TYR 74 CO 0.35 -0.78 0.41 0.20 -2.51 0.00 0.00 175.55 173.21 1rg8 s GLY 75 N -2.89 2.02 -0.14 5.49 0.00 -0.01 -1.11 107.32 110.68 1rg8 s GLY 75 Ca 0.10 -0.59 -0.07 0.00 0.00 0.00 0.00 44.72 44.17 1rg8 s GLY 75 CO -0.04 0.89 0.11 -0.45 0.00 0.00 0.00 173.10 173.60 1rg8 s SER 76 N 1.20 6.08 0.43 1.64 0.15 0.37 -4.74 113.70 118.83 1rg8 s SER 76 Ca 0.19 0.32 0.23 0.00 0.70 0.00 0.00 55.95 57.39 1rg8 s SER 76 Cb -0.15 -1.97 0.88 0.00 -1.71 0.00 0.00 66.02 63.07 1rg8 s SER 76 CO 0.08 0.33 1.81 1.56 1.20 0.00 0.00 173.24 178.22 1rg8 h GLN 77 N 5.56 0.00 -5.10 5.44 1.08 -1.91 0.44 115.11 120.62 1rg8 h GLN 77 Ca -0.49 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.34 1rg8 h GLN 77 Cb 1.20 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.42 1rg8 h GLN 77 CO 0.63 0.25 -0.76 0.95 -0.95 0.00 0.00 178.83 178.94 1rg8 s THR 78 N -3.65 0.94 0.15 -0.54 -4.23 -1.26 -4.81 115.64 102.24 1rg8 s THR 78 Ca 0.00 -1.28 -0.30 0.00 -1.18 0.00 0.00 61.69 58.93 1rg8 s THR 78 Cb 0.10 -0.98 -0.07 0.00 1.34 0.00 0.00 72.50 72.89 1rg8 s THR 78 CO 0.64 -0.30 1.19 -2.16 -0.54 0.00 0.00 174.62 173.45 1rg8 s PRO 79 N -1.81 4.49 0.30 3.99 0.04 -1.26 -4.87 135.00 135.87 1rg8 s PRO 79 Ca -0.03 1.83 0.04 0.00 0.04 0.00 0.00 61.00 62.87 1rg8 s PRO 79 Cb -0.09 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.16 1rg8 s PRO 79 CO 0.02 -0.11 0.31 0.27 0.04 0.00 0.00 177.00 177.52 1rg8 n ASN 80 N 2.89 -0.81 0.29 6.66 0.23 -1.26 -5.04 115.26 118.22 1rg8 n ASN 80 Ca 0.05 -2.84 0.16 0.00 -0.53 0.00 0.00 54.58 51.43 1rg8 n ASN 80 Cb 0.45 1.72 0.88 0.00 -2.08 0.00 0.00 39.78 40.75 1rg8 n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1rg8 h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.99 -1.45 114.58 111.42 1rg8 h GLU 81 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 1rg8 h GLU 81 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1rg8 h GLU 81 CO 0.31 0.05 0.00 0.39 0.07 0.00 0.00 179.01 179.83 1rg8 n GLU 82 N -3.46 0.22 0.00 1.06 1.02 -1.26 -3.62 120.64 114.60 1rg8 n GLU 82 Ca -0.02 0.04 0.11 0.00 -0.02 0.00 0.00 57.16 57.27 1rg8 n GLU 82 Cb 0.18 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.20 1rg8 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rg8 s LEU 84 N -2.82 4.33 0.02 0.00 1.43 -1.24 -4.46 118.68 115.94 1rg8 s LEU 84 Ca 0.14 0.93 0.06 0.00 -1.03 0.00 0.00 54.13 54.23 1rg8 s LEU 84 Cb 0.17 -2.76 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 1rg8 s LEU 84 CO 0.70 0.05 -0.19 -0.36 0.23 0.00 0.00 176.35 176.78 1rg8 s PHE 85 N 0.29 1.70 -0.44 0.29 0.08 -0.53 -1.38 117.98 117.99 1rg8 s PHE 85 Ca 0.28 -0.35 -0.23 0.00 0.12 0.00 0.00 56.93 56.74 1rg8 s PHE 85 Cb -0.16 -1.05 0.02 0.00 -0.57 0.00 0.00 43.02 41.26 1rg8 s PHE 85 CO 0.13 0.03 0.80 -0.51 -0.10 0.00 0.00 175.22 175.57 1rg8 s LEU 86 N -0.84 4.19 -0.27 -0.37 1.43 0.56 -0.49 118.68 122.90 1rg8 s LEU 86 Ca 0.07 0.01 -0.19 0.00 -1.03 0.00 0.00 54.13 52.99 1rg8 s LEU 86 Cb -0.08 -3.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.11 1rg8 s LEU 86 CO 0.01 -0.90 0.55 -0.70 0.23 0.00 0.00 176.35 175.53 1rg8 s GLU 87 N 3.32 4.04 0.08 1.70 2.12 -0.31 -1.61 118.70 128.04 1rg8 s GLU 87 Ca 0.31 0.34 0.03 0.00 0.36 0.00 0.00 54.97 56.02 1rg8 s GLU 87 Cb -0.12 -3.67 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 1rg8 s GLU 87 CO 0.22 -0.40 -0.10 1.03 -0.54 0.00 0.00 175.26 175.47 1rg8 s ARG 88 N 2.38 0.76 0.41 4.30 1.81 -0.33 -4.70 118.95 123.59 1rg8 s ARG 88 Ca 0.22 -1.03 -0.24 0.00 -1.72 0.00 0.00 55.73 52.96 1rg8 s ARG 88 Cb -0.16 -0.51 -0.08 0.00 -0.45 0.00 0.00 34.95 33.75 1rg8 s ARG 88 CO 0.09 0.09 1.13 -1.17 -0.68 0.00 0.00 175.30 174.76 1rg8 s LEU 89 N -2.14 4.14 -0.02 2.53 2.96 -0.24 -0.87 118.68 125.03 1rg8 s LEU 89 Ca 0.01 2.24 -0.02 0.00 -0.22 0.00 0.00 54.13 56.14 1rg8 s LEU 89 Cb -0.05 -4.12 0.00 0.00 0.50 0.00 0.00 46.19 42.52 1rg8 s LEU 89 CO 0.00 -0.67 0.05 -0.70 -1.32 0.00 0.00 176.35 173.72 1rg8 s GLU 90 N -2.44 0.09 -1.29 1.98 2.56 0.37 -4.82 118.70 115.14 1rg8 s GLU 90 Ca 0.59 0.04 -0.03 0.00 0.00 0.00 0.00 54.97 55.57 1rg8 s GLU 90 Cb -0.27 0.04 0.02 0.00 2.00 0.00 0.00 34.13 35.91 1rg8 s GLU 90 CO 0.34 -0.01 0.20 0.39 -0.56 0.00 0.00 175.26 175.62 1rg8 n GLU 91 N 2.95 -2.80 -1.99 4.30 1.02 -1.26 -0.87 120.64 121.99 1rg8 n GLU 91 Ca -0.13 0.68 -0.20 0.00 -0.02 0.00 0.00 57.16 57.49 1rg8 n GLU 91 Cb 0.59 -5.35 -0.05 0.00 -0.02 0.00 0.00 31.44 26.62 1rg8 n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1rg8 n ASN 92 N -2.05 -5.52 0.00 1.62 4.13 -1.26 -4.62 115.26 107.55 1rg8 n ASN 92 Ca -0.13 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.36 1rg8 n ASN 92 Cb 0.61 -4.65 0.00 0.00 -1.54 0.00 0.00 39.78 34.20 1rg8 n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1rg8 n HIS 93 N -3.25 -2.34 -2.39 3.10 -0.00 -0.27 -5.16 115.22 104.92 1rg8 n HIS 93 Ca -0.22 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.26 1rg8 n HIS 93 Cb 0.66 0.50 0.05 0.00 -0.00 0.00 0.00 29.99 31.20 1rg8 n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1rg8 s TYR 94 N -1.99 2.99 -0.12 1.57 2.02 -0.04 -4.83 117.35 116.94 1rg8 s TYR 94 Ca 0.00 0.37 -0.06 0.00 -0.37 0.00 0.00 57.07 57.01 1rg8 s TYR 94 Cb 0.00 -2.95 -0.04 0.00 -0.40 0.00 0.00 41.96 38.57 1rg8 s TYR 94 CO 0.00 -1.10 0.10 -0.80 -1.57 0.00 0.00 175.55 172.18 1rg8 s ASN 95 N -4.43 6.06 0.23 2.29 -0.87 0.25 -0.48 114.94 117.99 1rg8 s ASN 95 Ca 0.57 0.35 0.11 0.00 -1.57 0.00 0.00 52.86 52.32 1rg8 s ASN 95 Cb -0.11 -1.93 -0.05 0.00 -0.02 0.00 0.00 41.25 39.15 1rg8 s ASN 95 CO 0.43 0.37 -0.20 0.42 -2.57 0.00 0.00 177.10 175.55 1rg8 s THR 96 N -0.79 2.23 -0.20 1.60 -4.23 -0.05 -1.00 115.64 113.19 1rg8 s THR 96 Ca 0.13 -2.21 -0.02 0.00 -1.18 0.00 0.00 61.69 58.41 1rg8 s THR 96 Cb -0.12 -2.15 0.06 0.00 1.34 0.00 0.00 72.50 71.63 1rg8 s THR 96 CO 0.03 -0.35 0.02 -0.31 -0.54 0.00 0.00 174.62 173.46 1rg8 s TYR 97 N -2.32 1.25 -0.15 3.99 2.02 -1.26 -1.19 117.35 119.70 1rg8 s TYR 97 Ca 0.24 -0.99 -0.10 0.00 -0.37 0.00 0.00 57.07 55.86 1rg8 s TYR 97 Cb -0.05 -1.12 -0.05 0.00 -0.40 0.00 0.00 41.96 40.35 1rg8 s TYR 97 CO 0.11 -0.63 0.18 0.42 -1.57 0.00 0.00 175.55 174.07 1rg8 s ILE 98 N 1.78 5.40 0.05 2.71 1.01 -0.63 -1.06 121.20 130.45 1rg8 s ILE 98 Ca -0.02 0.31 -0.32 0.00 0.00 0.00 0.00 60.65 60.63 1rg8 s ILE 98 Cb -0.17 -3.49 -0.11 0.00 0.01 0.00 0.00 42.46 38.70 1rg8 s ILE 98 CO -0.08 0.51 1.88 -0.24 0.00 0.00 0.00 174.94 177.02 1rg8 n SER 99 N 2.79 3.91 -0.15 3.58 2.88 -0.05 -0.33 113.62 126.25 1rg8 n SER 99 Ca -0.17 0.96 -0.09 0.00 -1.33 0.00 0.00 58.87 58.24 1rg8 n SER 99 Cb 0.53 -1.49 -0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1rg8 n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1rg8 h LYS 100 N 9.30 0.66 -0.99 -1.46 3.64 -1.54 -0.26 116.57 125.91 1rg8 h LYS 100 Ca -0.48 -0.14 0.06 0.00 -1.27 0.00 0.00 60.65 58.82 1rg8 h LYS 100 Cb 1.24 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.90 1rg8 h LYS 100 CO 0.94 0.65 0.64 -0.22 -2.27 0.00 0.00 179.45 179.19 1rg8 h LYS 101 N 0.55 1.14 -0.53 1.90 1.63 -1.77 -2.31 116.57 117.18 1rg8 h LYS 101 Ca 0.14 -0.07 -0.23 0.00 -0.85 0.00 0.00 60.65 59.64 1rg8 h LYS 101 Cb 0.26 -0.26 -0.14 0.00 -0.60 0.00 0.00 32.23 31.49 1rg8 h LYS 101 CO -0.00 0.75 0.14 0.72 -3.45 0.00 0.00 179.45 177.61 1rg8 n HIS 102 N -4.50 1.68 0.02 1.91 8.25 -1.06 -4.75 115.22 116.76 1rg8 n HIS 102 Ca 0.15 -1.49 0.03 0.00 -0.26 0.00 0.00 57.72 56.15 1rg8 n HIS 102 Cb 0.17 -0.59 0.40 0.00 1.12 0.00 0.00 29.99 31.09 1rg8 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rg8 h ALA 103 N 1.34 1.62 0.00 -1.41 0.00 -0.45 -1.05 119.26 119.31 1rg8 h ALA 103 Ca 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1rg8 h ALA 103 Cb 1.98 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1rg8 h ALA 103 CO 0.57 0.31 0.00 1.05 0.00 0.00 0.00 179.25 181.18 1rg8 h GLU 104 N 0.50 0.00 -0.00 0.00 9.09 -1.85 -2.32 114.58 120.00 1rg8 h GLU 104 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.54 1rg8 h GLU 104 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 1rg8 h GLU 104 CO -0.02 0.00 -0.51 1.63 0.05 0.00 0.00 179.01 180.16 1rg8 n LYS 105 N -2.89 0.22 -3.37 1.06 5.02 -0.41 -4.98 118.16 112.80 1rg8 n LYS 105 Ca -0.00 -0.14 -0.16 0.00 -2.02 0.00 0.00 58.31 55.99 1rg8 n LYS 105 Cb 0.21 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.81 1rg8 n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1rg8 n ASN 106 N -1.27 -2.06 -4.62 4.39 4.13 -0.87 -4.96 115.26 109.99 1rg8 n ASN 106 Ca 0.07 -0.59 -0.39 0.00 1.68 0.00 0.00 54.58 55.35 1rg8 n ASN 106 Cb 0.34 -4.93 -0.08 0.00 -1.54 0.00 0.00 39.78 33.57 1rg8 n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1rg8 s TRP 107 N -3.34 3.28 0.18 3.10 0.52 -1.25 -4.48 118.94 116.95 1rg8 s TRP 107 Ca 0.00 0.50 0.08 0.00 0.02 0.00 0.00 56.10 56.70 1rg8 s TRP 107 Cb -0.00 -2.58 -0.04 0.00 -1.15 0.00 0.00 33.47 29.70 1rg8 s TRP 107 CO 0.70 -0.18 -0.01 -0.06 0.02 0.00 0.00 176.95 177.42 1rg8 s PHE 108 N 1.90 2.82 0.14 -1.98 0.40 -1.26 -0.87 117.98 119.13 1rg8 s PHE 108 Ca 0.17 -0.15 -0.31 0.00 -0.60 0.00 0.00 56.93 56.04 1rg8 s PHE 108 Cb -0.15 -1.36 -0.08 0.00 0.51 0.00 0.00 43.02 41.93 1rg8 s PHE 108 CO 0.09 0.52 1.39 0.08 0.70 0.00 0.00 175.22 178.01 1rg8 s VAL 109 N -1.77 3.21 0.03 -0.44 1.01 -0.23 -4.64 120.40 117.58 1rg8 s VAL 109 Ca 0.28 0.89 -0.23 0.00 0.00 0.00 0.00 61.98 62.91 1rg8 s VAL 109 Cb -0.09 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.77 1rg8 s VAL 109 CO 0.18 0.08 0.54 -0.83 0.00 0.00 0.00 175.10 175.07 1rg8 s GLY 110 N 0.97 -0.44 -0.06 4.51 0.00 -1.26 -4.41 107.32 106.62 1rg8 s GLY 110 Ca 0.64 0.70 0.04 0.00 0.00 0.00 0.00 44.72 46.10 1rg8 s GLY 110 CO 0.32 0.39 -0.19 1.08 0.00 0.00 0.00 173.10 174.70 1rg8 s LEU 111 N -1.83 1.93 0.81 0.66 1.43 -0.59 -0.89 118.68 120.20 1rg8 s LEU 111 Ca -0.06 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 1rg8 s LEU 111 Cb -0.01 -1.11 0.07 0.00 0.03 0.00 0.00 46.19 45.18 1rg8 s LEU 111 CO 0.00 0.15 1.10 -0.54 0.23 0.00 0.00 176.35 177.29 1rg8 s LYS 112 N 0.17 2.01 0.53 1.70 1.02 0.44 -4.46 119.74 121.16 1rg8 s LYS 112 Ca -0.09 0.60 0.19 0.00 0.02 0.00 0.00 55.97 56.70 1rg8 s LYS 112 Cb -0.14 -1.91 1.37 0.00 -0.52 0.00 0.00 37.83 36.62 1rg8 s LYS 112 CO 0.04 -1.66 2.14 0.87 -0.92 0.00 0.00 175.35 175.82 1rg8 h LYS 113 N -1.12 0.00 -0.24 1.68 1.57 -1.87 -1.07 116.57 115.52 1rg8 h LYS 113 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1rg8 h LYS 113 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1rg8 h LYS 113 CO 0.60 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.75 1rg8 n ASN 114 N -4.41 1.64 0.00 0.86 0.23 -1.26 -4.45 115.26 107.87 1rg8 n ASN 114 Ca -0.01 -1.85 0.00 0.00 -0.53 0.00 0.00 54.58 52.19 1rg8 n ASN 114 Cb 0.17 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1rg8 n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rg8 n GLY 115 N 1.06 0.80 3.83 4.83 0.00 -0.40 -4.99 105.19 110.31 1rg8 n GLY 115 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1rg8 n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rg8 s SER 116 N -2.76 6.90 0.47 1.61 0.01 -1.26 -0.20 113.70 118.48 1rg8 s SER 116 Ca 0.00 1.51 -0.21 0.00 1.31 0.00 0.00 55.95 58.56 1rg8 s SER 116 Cb 0.00 -2.46 -0.09 0.00 0.21 0.00 0.00 66.02 63.68 1rg8 s SER 116 CO 0.00 -0.25 1.03 0.00 0.41 0.00 0.00 173.24 174.43 1rg8 s LYS 118 N -3.16 4.51 0.27 0.00 -0.14 -0.07 -4.81 119.74 116.34 1rg8 s LYS 118 Ca 0.66 1.60 -0.29 0.00 -1.36 0.00 0.00 55.97 56.59 1rg8 s LYS 118 Cb -0.16 -2.94 -0.09 0.00 -1.68 0.00 0.00 37.83 32.95 1rg8 s LYS 118 CO 0.20 0.15 0.96 0.50 -0.76 0.00 0.00 175.35 176.40 1rg8 s ARG 119 N -1.82 4.74 0.20 1.68 3.52 -1.26 -4.66 118.95 121.35 1rg8 s ARG 119 Ca 0.49 1.48 -0.23 0.00 -0.13 0.00 0.00 55.73 57.35 1rg8 s ARG 119 Cb -0.26 -3.12 0.12 0.00 -1.56 0.00 0.00 34.95 30.13 1rg8 s ARG 119 CO 0.33 0.40 1.55 0.78 -0.81 0.00 0.00 175.30 177.56 1rg8 h GLY 120 N 3.80 -0.26 2.00 8.12 0.00 -1.02 0.79 103.07 116.50 1rg8 h GLY 120 Ca -0.46 0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1rg8 h GLY 120 CO 0.67 -0.13 0.00 -1.05 0.00 0.00 0.00 176.54 176.03 1rg8 n PRO 121 N -5.40 0.16 0.00 4.80 -0.02 -1.26 -1.39 135.00 131.89 1rg8 n PRO 121 Ca 0.06 0.59 0.14 0.00 -2.02 0.00 0.00 63.50 62.27 1rg8 n PRO 121 Cb 0.35 -1.96 0.47 0.00 -0.02 0.00 0.00 33.50 32.34 1rg8 n PRO 121 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1rg8 n ARG 122 N -2.29 1.39 -3.75 -0.52 5.12 0.27 -4.89 116.66 111.98 1rg8 n ARG 122 Ca -0.01 -0.81 -0.24 0.00 -1.93 0.00 0.00 57.85 54.86 1rg8 n ARG 122 Cb 0.09 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 29.88 1rg8 n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1rg8 s THR 123 N -2.18 5.22 -0.00 0.55 -4.23 -0.48 -4.95 115.64 109.56 1rg8 s THR 123 Ca 0.33 -0.63 -0.28 0.00 -1.18 0.00 0.00 61.69 59.93 1rg8 s THR 123 Cb 0.20 -3.80 0.10 0.00 1.34 0.00 0.00 72.50 70.34 1rg8 s THR 123 CO 0.40 -0.29 0.86 -1.38 -0.54 0.00 0.00 174.62 173.67 1rg8 s HIS 124 N -1.98 -0.38 0.47 3.99 -3.43 -1.26 -4.84 115.29 107.87 1rg8 s HIS 124 Ca 0.37 0.29 -0.23 0.00 -0.80 0.00 0.00 55.06 54.69 1rg8 s HIS 124 Cb -0.10 0.53 -0.09 0.00 -1.43 0.00 0.00 32.58 31.49 1rg8 s HIS 124 CO 0.30 -0.56 1.07 0.66 -2.00 0.00 0.00 174.74 174.21 1rg8 n TYR 125 N -0.13 1.33 0.00 0.38 4.01 -1.26 -2.81 117.16 118.68 1rg8 n TYR 125 Ca -0.10 0.51 0.00 0.00 -0.16 0.00 0.00 57.90 58.15 1rg8 n TYR 125 Cb 0.62 -2.24 0.00 0.00 -0.31 0.00 0.00 39.34 37.40 1rg8 n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rg8 n GLY 126 N 1.12 1.69 3.83 2.72 0.00 -1.26 -5.07 105.19 108.22 1rg8 n GLY 126 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1rg8 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rg8 s GLN 127 N -0.98 3.58 0.16 1.61 -0.21 -1.12 -4.98 119.66 117.72 1rg8 s GLN 127 Ca 0.00 1.02 0.09 0.00 0.02 0.00 0.00 55.36 56.49 1rg8 s GLN 127 Cb 0.00 -2.08 -0.10 0.00 1.00 0.00 0.00 33.01 31.83 1rg8 s GLN 127 CO 0.00 -0.59 1.34 0.87 -2.12 0.00 0.00 175.29 174.80 1rg8 h LYS 128 N 0.43 0.00 -0.03 2.91 1.57 -1.97 -3.35 116.57 116.12 1rg8 h LYS 128 Ca -0.46 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.33 1rg8 h LYS 128 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 1rg8 h LYS 128 CO 0.60 0.87 0.03 0.00 -0.57 0.00 0.00 179.45 180.38 1rg8 h ALA 129 N 1.13 1.71 -0.01 3.86 0.00 -1.94 -2.59 119.26 121.41 1rg8 h ALA 129 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rg8 h ALA 129 Cb 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1rg8 h ALA 129 CO 0.11 -0.05 -0.16 0.44 0.00 0.00 0.00 179.25 179.59 1rg8 n ILE 130 N -4.04 0.00 -3.39 0.00 -5.35 -1.25 -1.54 119.36 103.79 1rg8 n ILE 130 Ca -0.02 -0.14 -0.39 0.00 -0.27 0.00 0.00 62.75 61.93 1rg8 n ILE 130 Cb 0.12 0.29 -0.09 0.00 -1.74 0.00 0.00 39.64 38.23 1rg8 n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1rg8 s LEU 131 N -2.37 4.07 0.19 7.28 1.43 -0.98 -4.42 118.68 123.88 1rg8 s LEU 131 Ca 0.29 0.36 0.11 0.00 -1.03 0.00 0.00 54.13 53.86 1rg8 s LEU 131 Cb 0.20 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1rg8 s LEU 131 CO 0.47 -0.15 -0.24 -0.36 0.23 0.00 0.00 176.35 176.30 1rg8 s PHE 132 N 1.85 2.25 -0.10 0.29 0.40 -0.17 -3.38 117.98 119.13 1rg8 s PHE 132 Ca 0.16 -0.37 0.03 0.00 -0.60 0.00 0.00 56.93 56.16 1rg8 s PHE 132 Cb -0.15 -1.12 0.00 0.00 0.51 0.00 0.00 43.02 42.26 1rg8 s PHE 132 CO 0.09 0.48 -0.21 -0.51 0.70 0.00 0.00 175.22 175.77 1rg8 s LEU 133 N -2.65 2.00 -0.12 -0.37 1.43 0.02 -0.58 118.68 118.40 1rg8 s LEU 133 Ca 0.20 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.49 1rg8 s LEU 133 Cb -0.08 -1.30 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 1rg8 s LEU 133 CO 0.09 0.12 1.09 -2.16 0.23 0.00 0.00 176.35 175.73 1rg8 s PRO 134 N 0.49 4.35 0.01 1.29 0.04 -1.26 -1.43 135.00 138.50 1rg8 s PRO 134 Ca -0.16 1.49 0.05 0.00 0.04 0.00 0.00 61.00 62.42 1rg8 s PRO 134 Cb -0.17 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 30.75 1rg8 s PRO 134 CO 0.06 -0.46 -0.14 -0.51 0.04 0.00 0.00 177.00 175.99 1rg8 s LEU 135 N 2.47 2.78 0.50 -3.56 1.43 0.27 -4.93 118.68 117.65 1rg8 s LEU 135 Ca 0.50 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 53.09 1rg8 s LEU 135 Cb -0.20 -1.61 -0.09 0.00 0.03 0.00 0.00 46.19 44.32 1rg8 s LEU 135 CO 0.16 0.28 0.79 -2.65 0.23 0.00 0.00 176.35 175.16 1rg8 n PRO 136 N 1.71 0.89 0.00 1.29 -0.02 -1.26 -0.51 135.00 137.09 1rg8 n PRO 136 Ca -0.16 0.33 0.14 0.00 -2.02 0.00 0.00 63.50 61.78 1rg8 n PRO 136 Cb 0.52 -1.88 0.80 0.00 -0.02 0.00 0.00 33.50 32.93 1rg8 n PRO 136 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81