#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rq9 s ASN 2 N 0.00 5.46 -0.88 3.17 2.47 -1.26 -5.04 114.94 118.87 2rq9 s ASN 2 Ca 0.00 -0.32 -0.17 0.00 0.42 0.00 0.00 52.86 52.79 2rq9 s ASN 2 Cb 0.00 -1.99 0.17 0.00 -1.45 0.00 0.00 41.25 37.98 2rq9 s ASN 2 CO 0.00 -0.11 0.96 -0.31 -3.72 0.00 0.00 177.10 173.92 2rq9 s TYR 3 N 1.64 3.39 -0.93 0.43 2.02 -1.26 -4.97 117.35 117.66 2rq9 s TYR 3 Ca 0.06 -1.63 -0.20 0.00 -0.37 0.00 0.00 57.07 54.92 2rq9 s TYR 3 Cb -0.16 -4.08 0.11 0.00 -0.40 0.00 0.00 41.96 37.43 2rq9 s TYR 3 CO 0.06 -1.27 1.18 0.15 -1.57 0.00 0.00 175.55 174.10 2rq9 s LYS 4 N 1.62 3.57 -0.19 -0.62 -0.14 -1.26 -4.92 119.74 117.80 2rq9 s LYS 4 Ca 0.26 -1.57 -0.21 0.00 -1.36 0.00 0.00 55.97 53.08 2rq9 s LYS 4 Cb -0.08 -4.96 0.06 0.00 -1.68 0.00 0.00 37.83 31.17 2rq9 s LYS 4 CO -0.09 -1.86 0.58 0.21 -0.76 0.00 0.00 175.35 173.43 2rq9 s LYS 5 N 3.23 0.73 0.32 1.68 2.20 -1.26 -5.12 119.74 121.53 2rq9 s LYS 5 Ca 0.35 0.68 -0.27 0.00 -0.36 0.00 0.00 55.97 56.36 2rq9 s LYS 5 Cb -0.05 0.35 -0.09 0.00 -1.51 0.00 0.00 37.83 36.53 2rq9 s LYS 5 CO -0.08 -0.12 1.07 -1.25 -0.36 0.00 0.00 175.35 174.61 2rq9 s PRO 6 N 0.01 4.47 0.07 4.03 0.04 -1.26 -4.23 135.00 138.13 2rq9 s PRO 6 Ca -0.02 1.67 -0.07 0.00 0.04 0.00 0.00 61.00 62.62 2rq9 s PRO 6 Cb -0.04 -2.94 -0.01 0.00 0.04 0.00 0.00 34.50 31.55 2rq9 s PRO 6 CO 0.02 0.09 0.13 0.15 0.04 0.00 0.00 177.00 177.43 2rq9 s LYS 7 N -1.84 0.73 -0.04 4.56 3.01 -0.44 -2.94 119.74 122.79 2rq9 s LYS 7 Ca 0.49 -0.93 -0.02 0.00 -1.01 0.00 0.00 55.97 54.50 2rq9 s LYS 7 Cb -0.28 0.29 -0.04 0.00 -1.01 0.00 0.00 37.83 36.79 2rq9 s LYS 7 CO 0.35 -0.21 0.10 -0.51 0.51 0.00 0.00 175.35 175.60 2rq9 s LEU 8 N -2.64 4.03 -0.54 3.17 2.01 -0.18 -3.71 118.68 120.81 2rq9 s LEU 8 Ca 0.02 0.24 -0.21 0.00 0.01 0.00 0.00 54.13 54.19 2rq9 s LEU 8 Cb 0.04 -2.24 0.06 0.00 0.01 0.00 0.00 46.19 44.06 2rq9 s LEU 8 CO -0.09 0.31 0.75 -0.76 1.01 0.00 0.00 176.35 177.58 2rq9 s LEU 9 N -1.53 4.71 0.53 1.79 1.02 -1.26 -0.52 118.68 123.42 2rq9 s LEU 9 Ca 0.21 -0.82 -0.19 0.00 0.02 0.00 0.00 54.13 53.35 2rq9 s LEU 9 Cb -0.12 -2.53 -0.07 0.00 0.02 0.00 0.00 46.19 43.49 2rq9 s LEU 9 CO 0.11 -1.06 1.05 -0.47 0.02 0.00 0.00 176.35 176.00 2rq9 s TYR 10 N 3.14 2.99 -0.45 0.29 5.04 -0.16 -3.26 117.35 124.95 2rq9 s TYR 10 Ca 0.20 1.55 0.08 0.00 -2.44 0.00 0.00 57.07 56.45 2rq9 s TYR 10 Cb -0.18 -3.05 0.25 0.00 0.35 0.00 0.00 41.96 39.33 2rq9 s TYR 10 CO 0.13 -0.95 0.57 0.00 -1.34 0.00 0.00 175.55 173.96 2rq9 n SER 12 N 1.30 0.17 -0.32 0.00 2.88 -1.26 0.20 113.62 116.59 2rq9 n SER 12 Ca 0.23 1.06 0.09 0.00 -1.33 0.00 0.00 58.87 58.92 2rq9 n SER 12 Cb 0.50 -0.52 0.20 0.00 -0.75 0.00 0.00 64.21 63.64 2rq9 n SER 12 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2rq9 h ASN 13 N 0.00 -0.63 0.00 -3.46 -1.24 -1.77 -3.30 115.58 105.18 2rq9 h ASN 13 Ca 0.66 0.27 0.00 0.00 0.71 0.00 0.00 56.30 57.93 2rq9 h ASN 13 Cb 2.07 0.50 0.00 0.00 0.73 0.00 0.00 38.32 41.63 2rq9 h ASN 13 CO -0.37 -0.30 -0.71 0.61 -1.29 0.00 0.00 177.43 175.36 2rq9 n GLY 14 N -1.53 0.00 0.22 1.57 0.00 0.48 -4.83 105.19 101.11 2rq9 n GLY 14 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2rq9 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rq9 n GLY 15 N 2.81 0.52 3.51 -0.02 0.00 0.54 -5.03 105.19 107.52 2rq9 n GLY 15 Ca 0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 2rq9 n GLY 15 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rq9 s HIS 16 N -0.32 -0.53 -0.07 1.61 3.76 -1.26 -4.58 115.29 113.89 2rq9 s HIS 16 Ca 0.00 0.73 -0.04 0.00 -0.15 0.00 0.00 55.06 55.59 2rq9 s HIS 16 Cb 0.00 0.47 -0.04 0.00 1.11 0.00 0.00 32.58 34.12 2rq9 s HIS 16 CO 0.00 -0.60 0.13 -0.06 -0.85 0.00 0.00 174.74 173.36 2rq9 s PHE 17 N -2.02 3.51 -0.34 1.40 0.08 0.35 -2.91 117.98 118.05 2rq9 s PHE 17 Ca -0.04 0.41 -0.29 0.00 0.12 0.00 0.00 56.93 57.12 2rq9 s PHE 17 Cb -0.00 -1.87 0.01 0.00 -0.57 0.00 0.00 43.02 40.59 2rq9 s PHE 17 CO 0.01 0.66 1.16 -1.17 -0.10 0.00 0.00 175.22 175.78 2rq9 s LEU 18 N -1.38 3.86 0.17 -0.37 2.96 -1.20 0.39 118.68 123.11 2rq9 s LEU 18 Ca 0.20 0.99 0.08 0.00 -0.22 0.00 0.00 54.13 55.18 2rq9 s LEU 18 Cb -0.12 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 2rq9 s LEU 18 CO 0.10 -1.01 -0.06 0.00 -1.32 0.00 0.00 176.35 174.06 2rq9 s ARG 19 N 3.97 2.21 -0.18 1.98 1.70 -0.76 -4.69 118.95 123.17 2rq9 s ARG 19 Ca 0.49 -1.19 0.01 0.00 -0.47 0.00 0.00 55.73 54.57 2rq9 s ARG 19 Cb -0.13 -2.25 0.03 0.00 -0.57 0.00 0.00 34.95 32.04 2rq9 s ARG 19 CO 0.21 0.45 -0.12 0.42 -1.08 0.00 0.00 175.30 175.17 2rq9 s ILE 20 N -1.69 1.61 0.39 4.99 1.01 -1.26 -3.05 121.20 123.20 2rq9 s ILE 20 Ca 0.26 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 2rq9 s ILE 20 Cb -0.09 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 2rq9 s ILE 20 CO 0.17 0.30 0.68 -0.76 0.00 0.00 0.00 174.94 175.33 2rq9 s LEU 21 N 1.44 3.85 0.00 2.97 1.43 -0.01 -4.81 118.68 123.54 2rq9 s LEU 21 Ca 0.02 0.84 0.23 0.00 -1.03 0.00 0.00 54.13 54.19 2rq9 s LEU 21 Cb -0.15 -3.73 1.40 0.00 0.03 0.00 0.00 46.19 43.74 2rq9 s LEU 21 CO -0.09 -0.39 1.77 -0.81 0.23 0.00 0.00 176.35 177.06 2rq9 n PRO 22 N -1.62 0.75 -0.44 1.29 -0.04 -1.26 -2.12 135.00 131.55 2rq9 n PRO 22 Ca -0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.56 2rq9 n PRO 22 Cb 0.55 -1.49 0.33 0.00 -0.04 0.00 0.00 33.50 32.85 2rq9 n PRO 22 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2rq9 n ASP 23 N -0.99 4.13 -2.14 3.54 9.92 -1.26 -4.93 116.55 124.83 2rq9 n ASP 23 Ca 0.18 -2.13 -0.09 0.00 -0.53 0.00 0.00 54.79 52.21 2rq9 n ASP 23 Cb 0.08 -0.51 0.04 0.00 -0.64 0.00 0.00 41.12 40.09 2rq9 n ASP 23 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rq9 n GLY 24 N 1.50 0.10 3.21 0.44 0.00 -0.90 -5.05 105.19 104.48 2rq9 n GLY 24 Ca 0.25 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 2rq9 n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rq9 s THR 25 N -3.17 1.50 -0.12 2.61 2.01 -1.23 -4.69 115.64 112.55 2rq9 s THR 25 Ca 0.07 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 2rq9 s THR 25 Cb -0.03 -1.28 0.04 0.00 0.01 0.00 0.00 72.50 71.23 2rq9 s THR 25 CO 0.36 0.29 0.02 -0.69 -0.69 0.00 0.00 174.62 173.90 2rq9 s VAL 26 N -0.62 0.41 0.13 3.82 1.01 -1.26 -0.83 120.40 123.05 2rq9 s VAL 26 Ca 0.07 -0.14 -0.10 0.00 0.00 0.00 0.00 61.98 61.81 2rq9 s VAL 26 Cb -0.08 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.59 2rq9 s VAL 26 CO 0.00 0.07 0.27 -1.81 0.00 0.00 0.00 175.10 173.63 2rq9 s ASP 27 N 1.94 0.02 0.43 3.32 1.01 -1.17 -4.64 116.67 117.58 2rq9 s ASP 27 Ca 0.03 -0.67 -0.20 0.00 0.71 0.00 0.00 52.55 52.41 2rq9 s ASP 27 Cb -0.14 0.41 -0.11 0.00 1.01 0.00 0.00 42.92 44.09 2rq9 s ASP 27 CO -0.06 -0.82 0.94 -0.83 0.21 0.00 0.00 175.17 174.61 2rq9 s GLY 28 N -2.89 2.36 -0.27 0.21 0.00 -1.26 -1.84 107.32 103.64 2rq9 s GLY 28 Ca 0.09 0.37 -0.22 0.00 0.00 0.00 0.00 44.72 44.97 2rq9 s GLY 28 CO -0.07 0.65 0.74 -1.08 0.00 0.00 0.00 173.10 173.34 2rq9 s THR 29 N -2.20 0.00 -0.30 0.90 -1.32 0.16 -4.79 115.64 108.09 2rq9 s THR 29 Ca 0.61 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 61.20 2rq9 s THR 29 Cb -0.09 -1.00 0.47 0.00 -1.51 0.00 0.00 72.50 70.36 2rq9 s THR 29 CO 0.14 0.00 1.16 -1.14 -2.21 0.00 0.00 174.62 172.58 2rq9 n ARG 30 N 3.27 3.20 0.00 7.08 0.63 -1.26 0.13 116.66 129.71 2rq9 n ARG 30 Ca -0.16 -4.06 0.12 0.00 -0.92 0.00 0.00 57.85 52.83 2rq9 n ARG 30 Cb 0.57 -2.13 0.22 0.00 0.45 0.00 0.00 32.46 31.56 2rq9 n ARG 30 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2rq9 n ASP 31 N -0.65 1.17 -2.65 6.15 2.03 -1.26 -4.92 116.55 116.42 2rq9 n ASP 31 Ca 0.36 -0.94 -0.09 0.00 0.52 0.00 0.00 54.79 54.63 2rq9 n ASP 31 Cb 0.91 0.32 -0.02 0.00 -0.72 0.00 0.00 41.12 41.61 2rq9 n ASP 31 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2rq9 n ARG 32 N -0.72 -2.20 0.00 -0.67 1.74 -1.26 -4.50 116.66 109.05 2rq9 n ARG 32 Ca 0.10 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 2rq9 n ARG 32 Cb 0.37 -3.83 0.00 0.00 -1.02 0.00 0.00 32.46 27.99 2rq9 n ARG 32 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2rq9 n SER 33 N -1.43 1.27 -4.66 0.55 2.88 -1.26 -5.05 113.62 105.91 2rq9 n SER 33 Ca 0.03 0.00 -0.61 0.00 -1.33 0.00 0.00 58.87 56.95 2rq9 n SER 33 Cb 0.41 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.79 2rq9 n SER 33 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2rq9 n ASP 34 N -2.34 1.31 -2.54 -3.46 2.03 -1.26 -4.76 116.55 105.53 2rq9 n ASP 34 Ca 0.00 1.14 -0.24 0.00 0.52 0.00 0.00 54.79 56.22 2rq9 n ASP 34 Cb 0.27 -1.00 -0.10 0.00 -0.72 0.00 0.00 41.12 39.57 2rq9 n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2rq9 n GLN 35 N 3.60 2.73 0.00 -0.67 6.02 -1.26 -3.45 117.38 124.35 2rq9 n GLN 35 Ca 0.26 -1.76 0.00 0.00 -0.01 0.00 0.00 57.00 55.49 2rq9 n GLN 35 Cb 0.06 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.04 2rq9 n GLN 35 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2rq9 n HIS 36 N 2.41 -0.49 -0.50 1.08 8.25 -1.26 -4.76 115.22 119.95 2rq9 n HIS 36 Ca 0.55 0.00 0.43 0.00 -0.26 0.00 0.00 57.72 58.44 2rq9 n HIS 36 Cb 0.62 0.35 0.71 0.00 1.12 0.00 0.00 29.99 32.79 2rq9 n HIS 36 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 2rq9 h ILE 37 N 0.00 0.07 -0.14 1.59 3.07 -1.83 -3.32 117.51 116.94 2rq9 h ILE 37 Ca 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.41 2rq9 h ILE 37 Cb 0.00 0.08 -0.00 0.00 -0.27 0.00 0.00 36.82 36.63 2rq9 h ILE 37 CO 0.00 0.00 0.06 0.00 -1.05 0.00 0.00 178.15 177.16 2rq9 n GLN 38 N -3.77 0.21 -3.65 0.16 6.02 -1.26 -4.66 117.38 110.43 2rq9 n GLN 38 Ca 0.35 -1.41 -0.34 0.00 -0.01 0.00 0.00 57.00 55.59 2rq9 n GLN 38 Cb 1.74 -3.76 -0.05 0.00 1.02 0.00 0.00 30.24 29.19 2rq9 n GLN 38 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2rq9 s LEU 39 N 16.10 4.33 -0.31 1.08 1.43 -1.24 -3.51 118.68 136.56 2rq9 s LEU 39 Ca 0.83 0.68 -0.08 0.00 -1.03 0.00 0.00 54.13 54.52 2rq9 s LEU 39 Cb -0.08 -2.99 0.01 0.00 0.03 0.00 0.00 46.19 43.15 2rq9 s LEU 39 CO 0.16 0.16 0.11 -1.10 0.23 0.00 0.00 176.35 175.91 2rq9 s GLN 40 N -2.08 3.14 0.02 1.70 -1.52 0.51 -1.32 119.66 120.11 2rq9 s GLN 40 Ca 0.34 -0.84 -0.21 0.00 -1.95 0.00 0.00 55.36 52.70 2rq9 s GLN 40 Cb -0.13 -3.46 -0.06 0.00 -0.22 0.00 0.00 33.01 29.14 2rq9 s GLN 40 CO 0.19 -0.46 0.61 -0.51 -0.25 0.00 0.00 175.29 174.88 2rq9 s LEU 41 N 1.54 4.45 0.10 2.90 1.02 -1.26 -1.98 118.68 125.44 2rq9 s LEU 41 Ca 0.03 1.22 0.01 0.00 0.02 0.00 0.00 54.13 55.41 2rq9 s LEU 41 Cb -0.17 -2.95 -0.04 0.00 0.02 0.00 0.00 46.19 43.04 2rq9 s LEU 41 CO 0.04 0.13 -0.04 -0.94 0.02 0.00 0.00 176.35 175.56 2rq9 s SER 42 N -0.39 0.98 -0.11 2.29 1.04 0.21 -4.67 113.70 113.05 2rq9 s SER 42 Ca 0.31 -1.05 0.02 0.00 0.48 0.00 0.00 55.95 55.72 2rq9 s SER 42 Cb -0.19 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.08 2rq9 s SER 42 CO 0.18 -0.52 -0.18 0.00 0.98 0.00 0.00 173.24 173.70 2rq9 s ALA 43 N -3.71 1.87 -0.13 5.32 0.00 -1.26 0.19 121.76 124.04 2rq9 s ALA 43 Ca 0.14 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 2rq9 s ALA 43 Cb 0.06 -0.86 -0.07 0.00 0.00 0.00 0.00 23.12 22.25 2rq9 s ALA 43 CO -0.04 -0.01 -0.13 -1.91 0.00 0.00 0.00 175.76 173.68 2rq9 n GLU 44 N 4.06 0.30 -4.39 0.00 2.13 -1.23 -4.98 120.64 116.54 2rq9 n GLU 44 Ca -0.20 0.09 -0.19 0.00 0.66 0.00 0.00 57.16 57.52 2rq9 n GLU 44 Cb 0.52 -1.17 -0.10 0.00 0.27 0.00 0.00 31.44 30.95 2rq9 n GLU 44 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2rq9 s SER 45 N -5.51 2.28 -0.07 4.31 0.01 -1.25 -5.04 113.70 108.43 2rq9 s SER 45 Ca -0.17 -1.23 -0.30 0.00 1.31 0.00 0.00 55.95 55.56 2rq9 s SER 45 Cb 0.05 -0.07 -0.06 0.00 0.21 0.00 0.00 66.02 66.15 2rq9 s SER 45 CO 0.27 -0.46 1.71 0.54 0.41 0.00 0.00 173.24 175.71 2rq9 s VAL 46 N -3.24 3.50 0.00 3.43 0.11 -1.26 -0.90 120.40 122.04 2rq9 s VAL 46 Ca 0.30 0.60 0.00 0.00 -2.93 0.00 0.00 61.98 59.95 2rq9 s VAL 46 Cb 0.05 -3.41 0.00 0.00 -1.53 0.00 0.00 36.38 31.49 2rq9 s VAL 46 CO 0.11 -0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 2rq9 n GLY 47 N 4.29 0.84 3.46 6.54 0.00 -1.26 -5.02 105.19 114.04 2rq9 n GLY 47 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2rq9 n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rq9 s GLU 48 N -0.18 2.63 0.08 1.61 2.02 -0.08 -2.19 118.70 122.59 2rq9 s GLU 48 Ca 0.00 -0.70 0.03 0.00 0.02 0.00 0.00 54.97 54.32 2rq9 s GLU 48 Cb 0.00 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 2rq9 s GLU 48 CO 0.00 0.56 -0.08 0.14 0.02 0.00 0.00 175.26 175.90 2rq9 s VAL 49 N -0.56 0.75 -0.07 2.63 -7.23 -0.50 -3.48 120.40 111.93 2rq9 s VAL 49 Ca 0.08 -1.60 0.03 0.00 -1.81 0.00 0.00 61.98 58.68 2rq9 s VAL 49 Cb -0.11 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.55 2rq9 s VAL 49 CO 0.01 -0.63 -0.17 -0.31 -0.31 0.00 0.00 175.10 173.70 2rq9 s TYR 50 N -2.60 1.80 -0.21 2.82 2.02 0.50 -2.23 117.35 119.45 2rq9 s TYR 50 Ca 0.04 -0.64 -0.02 0.00 -0.37 0.00 0.00 57.07 56.07 2rq9 s TYR 50 Cb -0.02 -1.25 0.00 0.00 -0.40 0.00 0.00 41.96 40.30 2rq9 s TYR 50 CO -0.02 -0.28 -0.09 0.42 -1.57 0.00 0.00 175.55 174.02 2rq9 s ILE 51 N 0.39 2.93 0.02 2.71 1.01 -1.26 0.65 121.20 127.65 2rq9 s ILE 51 Ca -0.12 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.87 2rq9 s ILE 51 Cb -0.15 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 2rq9 s ILE 51 CO 0.05 0.44 -0.07 -0.75 0.00 0.00 0.00 174.94 174.60 2rq9 s LYS 52 N 1.41 0.51 0.12 2.79 2.36 -0.84 -0.14 119.74 125.95 2rq9 s LYS 52 Ca 0.05 -0.48 -0.30 0.00 -2.55 0.00 0.00 55.97 52.69 2rq9 s LYS 52 Cb -0.14 -0.39 -0.06 0.00 -1.05 0.00 0.00 37.83 36.18 2rq9 s LYS 52 CO -0.06 0.09 0.94 0.45 1.55 0.00 0.00 175.35 178.32 2rq9 s SER 53 N -0.85 7.49 0.07 1.43 0.15 -0.44 -0.36 113.70 121.19 2rq9 s SER 53 Ca -0.03 1.78 0.24 0.00 0.70 0.00 0.00 55.95 58.64 2rq9 s SER 53 Cb -0.06 -2.58 0.29 0.00 -1.71 0.00 0.00 66.02 61.96 2rq9 s SER 53 CO 0.00 -0.03 1.25 0.35 1.20 0.00 0.00 173.24 176.01 2rq9 n THR 54 N 2.64 0.22 -0.00 6.45 -2.24 -1.23 -2.85 114.28 117.27 2rq9 n THR 54 Ca 0.01 -0.20 -0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2rq9 n THR 54 Cb 0.49 0.06 -0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2rq9 n THR 54 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2rq9 h GLU 55 N 0.00 0.00 0.03 -0.78 4.57 -1.86 -3.43 114.58 113.11 2rq9 h GLU 55 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2rq9 h GLU 55 Cb 0.68 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 2rq9 h GLU 55 CO 0.00 0.00 -0.01 1.79 -1.18 0.00 0.00 179.01 179.61 2rq9 h THR 56 N -0.05 0.00 0.00 0.32 1.35 -1.89 -3.50 112.91 109.15 2rq9 h THR 56 Ca 0.00 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2rq9 h THR 56 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 2rq9 h THR 56 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2rq9 n GLY 57 N 1.71 0.99 3.23 5.82 0.00 -1.13 -5.07 105.19 110.73 2rq9 n GLY 57 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2rq9 n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rq9 s GLN 58 N 0.00 1.97 0.16 1.61 -0.21 -1.25 -4.89 119.66 117.04 2rq9 s GLN 58 Ca 0.00 -0.78 -0.25 0.00 0.02 0.00 0.00 55.36 54.35 2rq9 s GLN 58 Cb 0.00 -1.80 -0.08 0.00 1.00 0.00 0.00 33.01 32.14 2rq9 s GLN 58 CO 0.00 0.40 0.76 0.71 -2.12 0.00 0.00 175.29 175.04 2rq9 s TYR 59 N -0.31 3.90 -0.22 0.91 2.02 -1.22 -1.33 117.35 121.09 2rq9 s TYR 59 Ca 0.03 1.60 -0.29 0.00 -0.37 0.00 0.00 57.07 58.04 2rq9 s TYR 59 Cb -0.10 -2.75 -0.00 0.00 -0.40 0.00 0.00 41.96 38.71 2rq9 s TYR 59 CO 0.01 0.51 1.18 -1.17 -1.57 0.00 0.00 175.55 174.51 2rq9 s LEU 60 N -1.11 4.08 0.04 -1.29 2.96 0.81 -1.54 118.68 122.63 2rq9 s LEU 60 Ca 0.35 1.44 -0.01 0.00 -0.22 0.00 0.00 54.13 55.69 2rq9 s LEU 60 Cb -0.23 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.89 2rq9 s LEU 60 CO 0.26 -0.80 -0.01 0.00 -1.32 0.00 0.00 176.35 174.47 2rq9 s ALA 61 N 3.57 0.28 -0.25 5.97 0.00 -0.56 -4.28 121.76 126.48 2rq9 s ALA 61 Ca 0.51 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 2rq9 s ALA 61 Cb -0.18 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.18 2rq9 s ALA 61 CO 0.13 -0.28 -0.03 1.41 0.00 0.00 0.00 175.76 176.99 2rq9 s MET 62 N -2.80 2.99 0.00 0.00 1.75 -1.25 -0.74 119.30 119.25 2rq9 s MET 62 Ca -0.03 -0.88 0.00 0.00 -1.25 0.00 0.00 55.69 53.52 2rq9 s MET 62 Cb -0.00 -3.07 0.00 0.00 2.84 0.00 0.00 34.83 34.60 2rq9 s MET 62 CO -0.06 -0.37 0.00 -3.47 -0.65 0.00 0.00 175.02 170.47 2rq9 n ASP 63 N 4.73 -0.54 0.15 1.11 -0.08 -0.98 -4.90 116.55 116.03 2rq9 n ASP 63 Ca -0.16 -0.19 0.11 0.00 -1.51 0.00 0.00 54.79 53.03 2rq9 n ASP 63 Cb 0.48 0.00 0.06 0.00 2.34 0.00 0.00 41.12 44.00 2rq9 n ASP 63 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2rq9 h THR 64 N -1.05 0.06 0.00 5.18 1.35 -1.99 -3.20 112.91 113.25 2rq9 h THR 64 Ca 0.00 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 2rq9 h THR 64 Cb 0.00 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2rq9 h THR 64 CO 0.00 0.04 0.00 0.47 -0.25 0.00 0.00 175.52 175.78 2rq9 n ASP 65 N -2.88 0.00 0.00 5.36 8.00 -1.26 -4.82 116.55 120.96 2rq9 n ASP 65 Ca 0.01 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.87 2rq9 n ASP 65 Cb 0.56 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2rq9 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rq9 n GLY 66 N -0.01 1.02 3.95 0.44 0.00 -1.21 -4.63 105.19 104.75 2rq9 n GLY 66 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 2rq9 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rq9 s LEU 67 N 0.00 2.92 -0.08 0.99 1.02 -1.26 0.57 118.68 122.83 2rq9 s LEU 67 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.27 2rq9 s LEU 67 Cb 0.00 -2.61 -0.03 0.00 0.02 0.00 0.00 46.19 43.57 2rq9 s LEU 67 CO 0.00 -1.78 -0.08 -0.76 0.02 0.00 0.00 176.35 173.75 2rq9 s LEU 68 N -5.24 3.10 0.14 1.79 1.43 -1.26 -2.32 118.68 116.31 2rq9 s LEU 68 Ca 0.64 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.55 2rq9 s LEU 68 Cb -0.08 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.46 2rq9 s LEU 68 CO 0.45 0.32 0.31 -0.72 0.23 0.00 0.00 176.35 176.93 2rq9 s TYR 69 N -0.53 0.19 -0.22 0.29 -0.85 0.08 -4.06 117.35 112.25 2rq9 s TYR 69 Ca 0.08 -0.56 -0.16 0.00 -0.52 0.00 0.00 57.07 55.91 2rq9 s TYR 69 Cb -0.12 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 2rq9 s TYR 69 CO 0.02 -0.70 0.42 0.20 -1.52 0.00 0.00 175.55 173.97 2rq9 s GLY 70 N -2.91 2.03 0.13 5.49 0.00 -1.26 -1.50 107.32 109.31 2rq9 s GLY 70 Ca 0.11 -0.56 -0.23 0.00 0.00 0.00 0.00 44.72 44.04 2rq9 s GLY 70 CO -0.05 0.90 0.69 -0.45 0.00 0.00 0.00 173.10 174.20 2rq9 s SER 71 N 1.19 7.25 0.26 1.64 0.15 -0.59 -4.85 113.70 118.76 2rq9 s SER 71 Ca 0.19 1.49 -0.04 0.00 0.70 0.00 0.00 55.95 58.29 2rq9 s SER 71 Cb -0.15 -2.44 0.35 0.00 -1.71 0.00 0.00 66.02 62.07 2rq9 s SER 71 CO 0.08 0.23 1.90 -0.61 1.20 0.00 0.00 173.24 176.05 2rq9 h GLN 72 N 4.39 1.21 -5.44 5.44 4.15 -1.94 -3.22 115.11 119.70 2rq9 h GLN 72 Ca -0.48 -0.07 -0.47 0.00 0.77 0.00 0.00 58.65 58.40 2rq9 h GLN 72 Cb 1.21 -0.27 -0.14 0.00 0.21 0.00 0.00 27.48 28.48 2rq9 h GLN 72 CO 0.65 0.80 -0.68 0.95 -1.93 0.00 0.00 178.83 178.63 2rq9 s THR 73 N -6.07 1.55 -0.59 2.39 -4.23 -1.26 -4.92 115.64 102.52 2rq9 s THR 73 Ca -0.13 -2.12 -0.27 0.00 -1.18 0.00 0.00 61.69 57.99 2rq9 s THR 73 Cb 0.19 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.64 2rq9 s THR 73 CO 0.82 -0.33 1.51 -2.16 -0.54 0.00 0.00 174.62 173.92 2rq9 s PRO 74 N -3.74 3.14 0.23 3.99 0.04 -1.26 -4.85 135.00 132.55 2rq9 s PRO 74 Ca 0.29 0.44 0.09 0.00 0.04 0.00 0.00 61.00 61.86 2rq9 s PRO 74 Cb 0.04 -4.19 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 2rq9 s PRO 74 CO 0.11 -2.14 -0.04 -0.80 0.04 0.00 0.00 177.00 174.17 2rq9 s ASN 75 N 5.20 4.44 0.61 6.66 0.01 -1.26 -4.98 114.94 125.63 2rq9 s ASN 75 Ca 0.54 -0.61 0.27 0.00 -0.71 0.00 0.00 52.86 52.35 2rq9 s ASN 75 Cb -0.11 -0.81 1.33 0.00 0.41 0.00 0.00 41.25 42.07 2rq9 s ASN 75 CO 0.23 0.04 1.75 -0.33 -1.51 0.00 0.00 177.10 177.28 2rq9 h GLU 76 N 2.30 0.00 0.00 -0.60 5.08 -1.94 1.62 114.58 121.03 2rq9 h GLU 76 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2rq9 h GLU 76 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2rq9 h GLU 76 CO 0.58 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 179.52 2rq9 h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.95 0.42 114.58 120.46 2rq9 h GLU 77 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2rq9 h GLU 77 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 2rq9 h GLU 77 CO -0.00 0.00 -0.69 0.00 -1.00 0.00 0.00 179.01 177.32 2rq9 s LEU 79 N -4.02 4.24 0.28 0.00 2.96 0.14 -4.28 118.68 117.99 2rq9 s LEU 79 Ca 0.06 1.09 0.06 0.00 -0.22 0.00 0.00 54.13 55.12 2rq9 s LEU 79 Cb 0.14 -3.07 -0.06 0.00 0.50 0.00 0.00 46.19 43.70 2rq9 s LEU 79 CO 0.73 -0.23 -0.04 -0.36 -1.32 0.00 0.00 176.35 175.14 2rq9 s PHE 80 N 1.43 1.89 -0.23 5.38 0.40 -0.95 -1.65 117.98 124.26 2rq9 s PHE 80 Ca 0.35 -0.76 -0.08 0.00 -0.60 0.00 0.00 56.93 55.84 2rq9 s PHE 80 Cb -0.17 -1.11 -0.04 0.00 0.51 0.00 0.00 43.02 42.21 2rq9 s PHE 80 CO 0.15 0.20 0.10 -0.51 0.70 0.00 0.00 175.22 175.85 2rq9 s LEU 81 N -3.43 3.76 0.09 -0.37 2.01 0.21 -1.41 118.68 119.55 2rq9 s LEU 81 Ca 0.30 -0.03 0.05 0.00 0.01 0.00 0.00 54.13 54.46 2rq9 s LEU 81 Cb 0.05 -2.00 -0.04 0.00 0.01 0.00 0.00 46.19 44.21 2rq9 s LEU 81 CO 0.12 0.05 0.00 -0.70 1.01 0.00 0.00 176.35 176.83 2rq9 s GLU 82 N 1.12 2.56 -0.03 1.70 -6.30 -0.93 -1.44 118.70 115.38 2rq9 s GLU 82 Ca 0.05 -0.85 -0.22 0.00 -2.50 0.00 0.00 54.97 51.46 2rq9 s GLU 82 Cb -0.14 -2.54 0.04 0.00 0.00 0.00 0.00 34.13 31.49 2rq9 s GLU 82 CO 0.04 0.54 0.47 0.50 0.02 0.00 0.00 175.26 176.82 2rq9 s ARG 83 N -2.35 0.83 -0.15 4.30 3.52 -1.18 -4.84 118.95 119.09 2rq9 s ARG 83 Ca 0.26 -0.00 -0.18 0.00 -0.13 0.00 0.00 55.73 55.68 2rq9 s ARG 83 Cb -0.12 0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.62 2rq9 s ARG 83 CO 0.19 -0.25 0.49 -1.17 -0.81 0.00 0.00 175.30 173.75 2rq9 s LEU 84 N -1.27 4.23 0.25 -0.88 0.20 -1.26 -2.64 118.68 117.32 2rq9 s LEU 84 Ca -0.13 0.76 0.02 0.00 0.69 0.00 0.00 54.13 55.48 2rq9 s LEU 84 Cb -0.03 -2.69 -0.03 0.00 -0.43 0.00 0.00 46.19 43.01 2rq9 s LEU 84 CO 0.07 -0.05 0.41 -1.61 -0.29 0.00 0.00 176.35 174.87 2rq9 s GLU 85 N 0.94 3.47 -0.18 1.98 0.41 -0.05 -4.98 118.70 120.29 2rq9 s GLU 85 Ca 0.25 -0.54 -0.06 0.00 -0.41 0.00 0.00 54.97 54.21 2rq9 s GLU 85 Cb -0.15 -2.82 -0.19 0.00 -1.78 0.00 0.00 34.13 29.18 2rq9 s GLU 85 CO 0.10 0.36 3.41 0.39 -0.49 0.00 0.00 175.26 179.03 2rq9 n GLU 86 N -1.27 2.19 -0.87 1.61 1.02 -1.26 -3.18 120.64 118.87 2rq9 n GLU 86 Ca -0.07 -1.35 -0.05 0.00 -0.02 0.00 0.00 57.16 55.67 2rq9 n GLU 86 Cb 0.56 -2.07 -0.05 0.00 -0.02 0.00 0.00 31.44 29.85 2rq9 n GLU 86 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2rq9 n ASN 87 N 2.21 -0.74 -3.79 1.62 5.15 -1.26 -5.00 115.26 113.45 2rq9 n ASN 87 Ca 0.46 -1.75 -0.24 0.00 -0.60 0.00 0.00 54.58 52.46 2rq9 n ASN 87 Cb 0.81 0.22 0.02 0.00 -0.53 0.00 0.00 39.78 40.30 2rq9 n ASN 87 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2rq9 n HIS 88 N 0.00 -1.89 -3.84 1.20 -0.00 -1.19 -4.98 115.22 104.52 2rq9 n HIS 88 Ca -0.21 0.83 -0.12 0.00 -0.00 0.00 0.00 57.72 58.22 2rq9 n HIS 88 Cb 0.65 -4.17 -0.12 0.00 -0.00 0.00 0.00 29.99 26.35 2rq9 n HIS 88 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2rq9 s TYR 89 N -3.69 -0.10 0.11 1.57 2.02 -1.26 -4.84 117.35 111.18 2rq9 s TYR 89 Ca 0.10 0.23 0.06 0.00 -0.37 0.00 0.00 57.07 57.09 2rq9 s TYR 89 Cb -0.05 0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.49 2rq9 s TYR 89 CO 0.83 -0.14 -0.05 -0.80 -1.57 0.00 0.00 175.55 173.82 2rq9 s ASN 90 N -0.39 4.66 0.26 2.29 -0.87 0.44 -0.87 114.94 120.47 2rq9 s ASN 90 Ca -0.05 -0.32 0.06 0.00 -1.57 0.00 0.00 52.86 50.98 2rq9 s ASN 90 Cb -0.03 -0.98 -0.06 0.00 -0.02 0.00 0.00 41.25 40.16 2rq9 s ASN 90 CO 0.01 0.16 -0.05 0.42 -2.57 0.00 0.00 177.10 175.07 2rq9 s THR 91 N -1.34 1.46 -0.08 1.60 -4.23 -1.08 0.20 115.64 112.17 2rq9 s THR 91 Ca 0.24 -2.10 -0.05 0.00 -1.18 0.00 0.00 61.69 58.60 2rq9 s THR 91 Cb -0.11 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 71.38 2rq9 s THR 91 CO 0.16 -0.33 0.18 -0.31 -0.54 0.00 0.00 174.62 173.78 2rq9 s TYR 92 N -3.13 -0.22 -0.04 3.99 2.02 -1.25 -3.08 117.35 115.63 2rq9 s TYR 92 Ca 0.28 0.56 0.02 0.00 -0.37 0.00 0.00 57.07 57.57 2rq9 s TYR 92 Cb 0.04 0.00 0.01 0.00 -0.40 0.00 0.00 41.96 41.61 2rq9 s TYR 92 CO 0.10 -0.16 -0.09 0.42 -1.57 0.00 0.00 175.55 174.26 2rq9 s ILE 93 N 0.84 0.78 0.38 2.71 1.01 -0.52 -2.93 121.20 123.47 2rq9 s ILE 93 Ca -0.06 -0.33 -0.28 0.00 0.00 0.00 0.00 60.65 59.98 2rq9 s ILE 93 Cb -0.08 -0.72 -0.11 0.00 0.01 0.00 0.00 42.46 41.57 2rq9 s ILE 93 CO -0.05 0.26 1.48 -0.24 0.00 0.00 0.00 174.94 176.39 2rq9 n SER 94 N 3.52 3.74 0.05 3.58 2.88 -1.24 0.68 113.62 126.82 2rq9 n SER 94 Ca -0.20 1.23 -0.02 0.00 -1.33 0.00 0.00 58.87 58.54 2rq9 n SER 94 Cb 0.53 -1.61 -0.01 0.00 -0.75 0.00 0.00 64.21 62.37 2rq9 n SER 94 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2rq9 h LYS 95 N 2.92 -0.12 -1.16 -1.46 3.64 -1.55 0.46 116.57 119.29 2rq9 h LYS 95 Ca -0.50 0.01 0.34 0.00 -1.27 0.00 0.00 60.65 59.22 2rq9 h LYS 95 Cb 1.24 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 2rq9 h LYS 95 CO 0.64 -0.08 0.90 -0.22 -2.27 0.00 0.00 179.45 178.42 2rq9 h LYS 96 N -0.19 0.00 -1.75 1.90 3.64 -1.81 0.35 116.57 118.71 2rq9 h LYS 96 Ca -0.01 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.80 2rq9 h LYS 96 Cb 0.10 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 31.50 2rq9 h LYS 96 CO 0.02 0.00 -0.75 0.72 -2.27 0.00 0.00 179.45 177.17 2rq9 n HIS 97 N -3.99 3.37 -0.04 1.91 8.25 -1.15 -4.73 115.22 118.83 2rq9 n HIS 97 Ca 0.25 -3.41 -0.16 0.00 -0.26 0.00 0.00 57.72 54.14 2rq9 n HIS 97 Cb 1.28 -0.24 -0.14 0.00 1.12 0.00 0.00 29.99 32.01 2rq9 n HIS 97 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2rq9 n ALA 98 N -0.35 1.23 0.71 -1.41 0.00 0.16 -3.84 120.51 117.01 2rq9 n ALA 98 Ca 0.34 -0.81 0.10 0.00 0.00 0.00 0.00 53.44 53.07 2rq9 n ALA 98 Cb 0.58 -0.58 0.45 0.00 0.00 0.00 0.00 19.45 19.90 2rq9 n ALA 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2rq9 n GLU 99 N -3.23 0.01 0.00 0.00 -0.58 -1.26 -1.87 120.64 113.71 2rq9 n GLU 99 Ca -0.30 0.15 0.13 0.00 -0.42 0.00 0.00 57.16 56.72 2rq9 n GLU 99 Cb 1.05 -1.52 0.38 0.00 -0.57 0.00 0.00 31.44 30.78 2rq9 n GLU 99 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2rq9 n LYS 100 N -1.55 0.78 -3.49 3.49 5.02 -1.25 -4.97 118.16 116.19 2rq9 n LYS 100 Ca 0.05 -0.45 -0.20 0.00 -2.02 0.00 0.00 58.31 55.69 2rq9 n LYS 100 Cb 0.25 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.80 2rq9 n LYS 100 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2rq9 n ASN 101 N -0.72 -6.05 -4.43 4.39 4.13 -0.78 -4.79 115.26 107.01 2rq9 n ASN 101 Ca 0.12 -0.72 -0.33 0.00 1.68 0.00 0.00 54.58 55.32 2rq9 n ASN 101 Cb 0.35 -3.75 -0.13 0.00 -1.54 0.00 0.00 39.78 34.70 2rq9 n ASN 101 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2rq9 s TRP 102 N -3.24 2.88 0.09 3.10 0.51 -1.25 -4.50 118.94 116.53 2rq9 s TRP 102 Ca 0.25 -0.45 0.07 0.00 -2.12 0.00 0.00 56.10 53.86 2rq9 s TRP 102 Cb -0.08 -1.85 -0.04 0.00 -0.81 0.00 0.00 33.47 30.69 2rq9 s TRP 102 CO 0.83 -0.08 -0.13 -0.06 -0.51 0.00 0.00 176.95 176.99 2rq9 s PHE 103 N 0.17 2.67 -0.01 -1.98 0.40 -1.25 -3.69 117.98 114.29 2rq9 s PHE 103 Ca -0.05 -0.19 0.30 0.00 -0.60 0.00 0.00 56.93 56.39 2rq9 s PHE 103 Cb -0.15 -1.43 1.08 0.00 0.51 0.00 0.00 43.02 43.03 2rq9 s PHE 103 CO 0.04 0.39 1.88 0.28 0.70 0.00 0.00 175.22 178.51 2rq9 h VAL 104 N 3.47 0.09 -0.83 -0.44 2.07 -1.87 -3.41 116.25 115.32 2rq9 h VAL 104 Ca -0.49 -0.72 -0.33 0.00 0.82 0.00 0.00 66.70 65.98 2rq9 h VAL 104 Cb 1.17 1.66 0.08 0.00 -1.52 0.00 0.00 31.29 32.68 2rq9 h VAL 104 CO 0.50 0.04 -0.47 0.61 0.02 0.00 0.00 177.57 178.27 2rq9 n GLY 105 N 0.29 -1.36 3.80 2.17 0.00 -1.25 -4.60 105.19 104.23 2rq9 n GLY 105 Ca 0.01 0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 2rq9 n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rq9 s LEU 106 N 2.19 3.70 0.00 0.99 1.43 -1.25 -2.85 118.68 122.89 2rq9 s LEU 106 Ca 0.32 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2rq9 s LEU 106 Cb -0.37 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.62 2rq9 s LEU 106 CO 0.33 -0.05 0.00 0.29 0.23 0.00 0.00 176.35 177.14 2rq9 n LYS 107 N -1.15 1.31 0.00 1.70 4.76 0.62 -4.63 118.16 120.77 2rq9 n LYS 107 Ca -0.07 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.38 2rq9 n LYS 107 Cb 0.58 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.77 2rq9 n LYS 107 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2rq9 n LYS 108 N 0.00 3.65 -0.46 1.97 4.81 -1.26 -4.24 118.16 122.64 2rq9 n LYS 108 Ca 0.00 -0.25 0.08 0.00 -0.87 0.00 0.00 58.31 57.28 2rq9 n LYS 108 Cb 0.00 -0.78 0.29 0.00 0.02 0.00 0.00 35.03 34.56 2rq9 n LYS 108 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2rq9 n ASN 109 N -0.60 3.82 -0.96 3.14 4.13 -1.26 -4.79 115.26 118.74 2rq9 n ASN 109 Ca 0.01 -2.26 -0.03 0.00 1.68 0.00 0.00 54.58 53.97 2rq9 n ASN 109 Cb 0.05 -0.49 0.01 0.00 -1.54 0.00 0.00 39.78 37.81 2rq9 n ASN 109 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2rq9 n GLY 110 N 1.14 0.73 3.16 7.41 0.00 -1.26 -5.06 105.19 111.31 2rq9 n GLY 110 Ca 0.21 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 2rq9 n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rq9 s SER 111 N -3.05 0.76 0.14 1.61 0.01 -1.26 -4.17 113.70 107.73 2rq9 s SER 111 Ca 0.08 -1.10 -0.30 0.00 1.31 0.00 0.00 55.95 55.94 2rq9 s SER 111 Cb -0.03 0.18 -0.07 0.00 0.21 0.00 0.00 66.02 66.31 2rq9 s SER 111 CO 0.10 -0.60 1.02 0.00 0.41 0.00 0.00 173.24 174.17 2rq9 s LYS 113 N -0.13 4.01 0.15 0.00 2.20 -1.13 -4.58 119.74 120.26 2rq9 s LYS 113 Ca 0.48 0.37 -0.28 0.00 -0.36 0.00 0.00 55.97 56.18 2rq9 s LYS 113 Cb -0.26 -3.68 -0.16 0.00 -1.51 0.00 0.00 37.83 32.22 2rq9 s LYS 113 CO 0.32 -0.45 0.58 0.54 -0.36 0.00 0.00 175.35 175.98 2rq9 n ARG 114 N 5.70 0.00 0.08 4.03 3.00 -1.26 -4.81 116.66 123.40 2rq9 n ARG 114 Ca -0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.69 2rq9 n ARG 114 Cb 0.49 -1.02 -0.06 0.00 0.00 0.00 0.00 32.46 31.87 2rq9 n ARG 114 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2rq9 h GLY 115 N 1.30 -0.67 -3.02 -0.13 0.00 -0.11 -1.21 103.07 99.23 2rq9 h GLY 115 Ca -0.30 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2rq9 h GLY 115 CO 0.54 -0.25 0.00 -1.55 0.00 0.00 0.00 176.54 175.28 2rq9 n PRO 116 N -5.44 0.75 -0.40 4.80 -0.04 -1.26 -2.35 135.00 131.06 2rq9 n PRO 116 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2rq9 n PRO 116 Cb 0.35 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2rq9 n PRO 116 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2rq9 n ARG 117 N 1.44 0.00 -4.39 0.54 1.74 -0.46 -5.10 116.66 110.42 2rq9 n ARG 117 Ca 0.00 -0.69 -0.24 0.00 -0.77 0.00 0.00 57.85 56.15 2rq9 n ARG 117 Cb 0.38 -0.38 -0.09 0.00 -1.02 0.00 0.00 32.46 31.34 2rq9 n ARG 117 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2rq9 s THR 118 N 0.00 2.79 0.02 0.55 -4.23 -0.99 -4.86 115.64 108.92 2rq9 s THR 118 Ca 0.00 -2.15 -0.02 0.00 -1.18 0.00 0.00 61.69 58.34 2rq9 s THR 118 Cb 0.00 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.25 2rq9 s THR 118 CO 0.00 -0.34 0.09 1.41 -0.54 0.00 0.00 174.62 175.25 2rq9 n HIS 119 N -0.79 -0.79 -3.42 3.99 8.25 -1.26 -4.84 115.22 116.36 2rq9 n HIS 119 Ca -0.05 -0.14 -0.38 0.00 -0.26 0.00 0.00 57.72 56.89 2rq9 n HIS 119 Cb 0.60 0.07 -0.06 0.00 1.12 0.00 0.00 29.99 31.72 2rq9 n HIS 119 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2rq9 s TYR 120 N -6.41 3.67 0.00 4.41 2.02 -1.26 -4.09 117.35 115.69 2rq9 s TYR 120 Ca 0.02 0.99 0.00 0.00 -0.37 0.00 0.00 57.07 57.71 2rq9 s TYR 120 Cb -0.00 -2.39 0.00 0.00 -0.40 0.00 0.00 41.96 39.17 2rq9 s TYR 120 CO 0.01 0.49 0.00 0.41 -1.57 0.00 0.00 175.55 174.89 2rq9 n GLY 121 N 2.26 0.93 3.92 0.71 0.00 -1.26 -5.10 105.19 106.65 2rq9 n GLY 121 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 2rq9 n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rq9 s GLN 122 N -0.33 3.51 0.00 1.61 -0.21 -1.26 -4.98 119.66 118.01 2rq9 s GLN 122 Ca 0.00 -0.34 0.19 0.00 0.02 0.00 0.00 55.36 55.24 2rq9 s GLN 122 Cb 0.00 -2.92 0.67 0.00 1.00 0.00 0.00 33.01 31.76 2rq9 s GLN 122 CO 0.00 0.49 1.49 1.17 -2.12 0.00 0.00 175.29 176.33 2rq9 n LYS 123 N -0.17 1.78 0.02 2.91 3.00 -1.26 -3.82 118.16 120.62 2rq9 n LYS 123 Ca -0.04 -1.18 -0.21 0.00 -0.00 0.00 0.00 58.31 56.87 2rq9 n LYS 123 Cb 0.52 -1.38 -0.14 0.00 0.00 0.00 0.00 35.03 34.03 2rq9 n LYS 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2rq9 h ALA 124 N 4.01 0.08 -0.44 3.14 0.00 -1.92 -2.60 119.26 121.52 2rq9 h ALA 124 Ca 0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 54.91 53.92 2rq9 h ALA 124 Cb 0.51 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2rq9 h ALA 124 CO 0.00 0.64 0.04 -0.84 0.00 0.00 0.00 179.25 179.10 2rq9 h ILE 125 N -0.37 1.22 -2.33 0.00 3.07 -1.87 -3.32 117.51 113.91 2rq9 h ILE 125 Ca -0.24 -0.85 -0.55 0.00 1.55 0.00 0.00 64.86 64.76 2rq9 h ILE 125 Cb 1.69 0.83 -0.02 0.00 -0.27 0.00 0.00 36.82 39.05 2rq9 h ILE 125 CO 0.08 0.30 1.36 -0.76 -1.05 0.00 0.00 178.15 178.09 2rq9 s LEU 126 N -9.18 3.45 -0.10 0.16 1.43 -1.25 -4.30 118.68 108.88 2rq9 s LEU 126 Ca -0.09 1.21 0.03 0.00 -1.03 0.00 0.00 54.13 54.25 2rq9 s LEU 126 Cb 0.15 -3.24 -0.00 0.00 0.03 0.00 0.00 46.19 43.13 2rq9 s LEU 126 CO 0.79 -1.99 -0.22 -0.36 0.23 0.00 0.00 176.35 174.80 2rq9 s PHE 127 N 8.06 2.61 -0.22 0.29 0.40 0.52 -4.29 117.98 125.35 2rq9 s PHE 127 Ca 0.83 -0.92 -0.03 0.00 -0.60 0.00 0.00 56.93 56.21 2rq9 s PHE 127 Cb -0.22 -1.73 0.01 0.00 0.51 0.00 0.00 43.02 41.59 2rq9 s PHE 127 CO 0.31 -0.35 -0.07 -1.17 0.70 0.00 0.00 175.22 174.63 2rq9 s LEU 128 N 0.29 2.85 -0.14 -0.37 0.20 -1.17 0.17 118.68 120.50 2rq9 s LEU 128 Ca -0.16 -0.56 -0.29 0.00 0.69 0.00 0.00 54.13 53.81 2rq9 s LEU 128 Cb -0.17 -1.68 -0.02 0.00 -0.43 0.00 0.00 46.19 43.89 2rq9 s LEU 128 CO 0.08 -0.05 1.27 -2.16 -0.29 0.00 0.00 176.35 175.20 2rq9 s PRO 129 N 1.41 4.25 -0.06 0.98 0.04 -1.25 -0.99 135.00 139.38 2rq9 s PRO 129 Ca 0.04 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 62.73 2rq9 s PRO 129 Cb -0.15 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.62 2rq9 s PRO 129 CO -0.05 -0.67 0.12 -0.51 0.04 0.00 0.00 177.00 175.93 2rq9 s LEU 130 N 3.30 4.17 0.26 -3.56 2.01 0.32 -4.85 118.68 120.34 2rq9 s LEU 130 Ca 0.56 0.32 -0.30 0.00 0.01 0.00 0.00 54.13 54.72 2rq9 s LEU 130 Cb -0.23 -2.22 -0.09 0.00 0.01 0.00 0.00 46.19 43.66 2rq9 s LEU 130 CO 0.16 0.34 1.08 -2.16 1.01 0.00 0.00 176.35 176.78 2rq9 s PRO 131 N -1.40 4.66 0.01 1.29 0.04 -1.26 -1.01 135.00 137.33 2rq9 s PRO 131 Ca 0.20 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 62.98 2rq9 s PRO 131 Cb -0.12 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 2rq9 s PRO 131 CO 0.10 0.23 0.02 0.54 0.04 0.00 0.00 177.00 177.92 2rq9 s VAL 132 N -1.06 0.08 0.00 -0.36 0.11 -1.15 -4.90 120.40 113.13 2rq9 s VAL 132 Ca 0.45 -0.68 -0.01 0.00 -2.93 0.00 0.00 61.98 58.80 2rq9 s VAL 132 Cb -0.31 -0.25 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 2rq9 s VAL 132 CO 0.39 -0.38 0.02 -0.24 -3.33 0.00 0.00 175.10 171.57 2rq9 n SER 133 N 1.86 -7.73 -4.35 3.54 2.88 -1.26 -4.56 113.62 104.01 2rq9 n SER 133 Ca -0.21 1.73 -0.23 0.00 -1.33 0.00 0.00 58.87 58.83 2rq9 n SER 133 Cb 0.56 -4.75 -0.11 0.00 -0.75 0.00 0.00 64.21 59.16 2rq9 n SER 133 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2rq9 s SER 134 N -0.53 2.81 0.00 -3.46 1.04 -1.26 -4.91 113.70 107.39 2rq9 s SER 134 Ca -0.02 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.55 2rq9 s SER 134 Cb 0.00 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.95 2rq9 s SER 134 CO 0.06 -0.01 0.00 0.47 0.98 0.00 0.00 173.24 174.74 2rq9 n ASP 135 N 0.30 0.00 0.00 7.02 8.00 -1.26 -5.05 116.55 125.56 2rq9 n ASP 135 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.37 2rq9 n ASP 135 Cb 0.57 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 2rq9 n ASP 135 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2rq9 n LEU 136 N -1.67 0.00 -2.88 0.64 4.32 -1.26 -5.08 117.00 111.07 2rq9 n LEU 136 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2rq9 n LEU 136 Cb 0.00 -0.02 -0.00 0.00 -1.62 0.00 0.00 43.42 41.78 2rq9 n LEU 136 CO 0.00 -0.03 -0.49 1.21 -1.22 0.00 0.00 177.39 176.86 2rq9 n GLU 137 N -1.42 -2.48 -3.15 3.23 0.00 -1.26 -5.04 120.64 110.52 2rq9 n GLU 137 Ca 0.00 2.15 0.05 0.00 0.00 0.00 0.00 57.16 59.36 2rq9 n GLU 137 Cb 0.00 -3.80 -0.00 0.00 0.00 0.00 0.00 31.44 27.64 2rq9 n GLU 137 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2rq9 s HIS 138 N -1.31 -0.75 0.14 4.31 2.46 -1.26 -5.17 115.29 113.71 2rq9 s HIS 138 Ca -0.02 0.50 0.06 0.00 0.47 0.00 0.00 55.06 56.07 2rq9 s HIS 138 Cb 0.00 0.15 -0.04 0.00 -0.13 0.00 0.00 32.58 32.56 2rq9 s HIS 138 CO 0.51 -0.43 -0.14 -1.58 -2.47 0.00 0.00 174.74 170.63 2rq9 s HIS 139 N 2.93 1.43 0.32 3.88 5.04 -1.26 -5.16 115.29 122.47 2rq9 s HIS 139 Ca 0.20 -0.59 0.03 0.00 -1.54 0.00 0.00 55.06 53.16 2rq9 s HIS 139 Cb -0.05 -0.73 -0.04 0.00 0.04 0.00 0.00 32.58 31.80 2rq9 s HIS 139 CO -0.21 0.17 0.15 -1.01 -2.34 0.00 0.00 174.74 171.49 2rq9 s HIS 140 N -2.47 1.64 0.12 3.88 3.76 -1.26 -5.18 115.29 115.78 2rq9 s HIS 140 Ca 0.12 -1.33 -0.05 0.00 -0.15 0.00 0.00 55.06 53.66 2rq9 s HIS 140 Cb -0.03 -0.92 -0.02 0.00 1.11 0.00 0.00 32.58 32.72 2rq9 s HIS 140 CO 0.03 -0.46 0.13 -1.58 -0.85 0.00 0.00 174.74 172.02 2rq9 s HIS 141 N -3.55 0.51 0.83 1.40 2.46 -1.26 -5.14 115.29 110.55 2rq9 s HIS 141 Ca 0.34 -0.93 -0.12 0.00 0.47 0.00 0.00 55.06 54.83 2rq9 s HIS 141 Cb 0.05 -0.25 0.11 0.00 -0.13 0.00 0.00 32.58 32.36 2rq9 s HIS 141 CO 0.17 -0.56 1.18 -1.58 -2.47 0.00 0.00 174.74 171.49 2rq9 s HIS 142 N -3.96 2.52 -2.00 3.88 2.46 -1.26 -5.33 115.29 111.60 2rq9 s HIS 142 Ca 0.15 0.54 0.01 0.00 0.47 0.00 0.00 55.06 56.22 2rq9 s HIS 142 Cb 0.06 -3.60 0.05 0.00 -0.13 0.00 0.00 32.58 28.96 2rq9 s HIS 142 CO -0.04 -1.95 0.55 1.58 -2.47 0.00 0.00 174.74 172.41