#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 0.60 -0.40 7.83 0.01 -1.26 -5.12 114.94 116.60 2rq9 s ASN 2 Ca 0.00 -0.09 -0.16 0.00 -0.71 0.00 0.00 52.86 51.91 2rq9 s ASN 2 Cb 0.00 -0.13 0.01 0.00 0.41 0.00 0.00 41.25 41.54 2rq9 s ASN 2 CO 0.00 0.03 0.36 -0.31 -1.51 0.00 0.00 177.10 175.67 2rq9 s TYR 3 N 0.16 3.20 -0.22 2.20 2.02 -1.26 -4.68 117.35 118.78 2rq9 s TYR 3 Ca -0.01 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.17 2rq9 s TYR 3 Cb -0.05 -2.72 0.02 0.00 -0.40 0.00 0.00 41.96 38.81 2rq9 s TYR 3 CO -0.00 -0.60 0.25 1.17 -1.57 0.00 0.00 175.55 174.80 2rq9 n LYS 4 N 5.38 -1.45 -3.49 -0.62 3.00 -1.26 -4.96 118.16 114.76 2rq9 n LYS 4 Ca -0.09 1.40 -0.27 0.00 -0.00 0.00 0.00 58.31 59.35 2rq9 n LYS 4 Cb 0.48 -2.42 -0.10 0.00 0.00 0.00 0.00 35.03 32.99 2rq9 n LYS 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2rq9 n LYS 5 N 0.63 0.94 -1.53 1.64 3.00 -1.26 -4.66 118.16 116.92 2rq9 n LYS 5 Ca -0.01 -3.67 -0.29 0.00 -0.00 0.00 0.00 58.31 54.33 2rq9 n LYS 5 Cb 0.47 -1.80 0.18 0.00 0.00 0.00 0.00 35.03 33.87 2rq9 n LYS 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2rq9 s PRO 6 N -0.82 0.38 0.09 1.64 0.04 -1.26 -4.86 135.00 130.20 2rq9 s PRO 6 Ca 0.32 0.00 -0.06 0.00 0.04 0.00 0.00 61.00 61.30 2rq9 s PRO 6 Cb 0.05 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.80 2rq9 s PRO 6 CO -0.16 -2.66 0.13 0.15 0.04 0.00 0.00 177.00 174.50 2rq9 s LYS 7 N -5.48 0.81 0.00 4.56 1.02 -0.40 -3.49 119.74 116.75 2rq9 s LYS 7 Ca 0.68 -1.08 0.08 0.00 0.02 0.00 0.00 55.97 55.67 2rq9 s LYS 7 Cb -0.10 0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 37.49 2rq9 s LYS 7 CO 0.54 -0.24 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.99 2rq9 s LEU 8 N -2.90 2.08 -0.39 3.17 1.43 0.46 -2.83 118.68 119.70 2rq9 s LEU 8 Ca 0.08 -0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 52.52 2rq9 s LEU 8 Cb 0.06 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 45.10 2rq9 s LEU 8 CO -0.09 0.27 0.54 -0.76 0.23 0.00 0.00 176.35 176.54 2rq9 s LEU 9 N -0.76 4.51 0.28 1.79 1.43 -1.26 0.13 118.68 124.79 2rq9 s LEU 9 Ca 0.09 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 52.77 2rq9 s LEU 9 Cb -0.09 -2.59 -0.08 0.00 0.03 0.00 0.00 46.19 43.45 2rq9 s LEU 9 CO 0.00 -0.60 0.70 -0.47 0.23 0.00 0.00 176.35 176.21 2rq9 s TYR 10 N 2.48 3.46 -0.50 0.29 5.04 0.15 -3.43 117.35 124.84 2rq9 s TYR 10 Ca 0.19 1.21 0.05 0.00 -2.44 0.00 0.00 57.07 56.08 2rq9 s TYR 10 Cb -0.15 -2.52 0.19 0.00 0.35 0.00 0.00 41.96 39.83 2rq9 s TYR 10 CO 0.15 0.20 0.44 0.00 -1.34 0.00 0.00 175.55 175.00 2rq9 n SER 12 N 2.22 0.24 -0.31 0.00 2.88 -1.26 0.19 113.62 117.59 2rq9 n SER 12 Ca 0.26 1.36 0.21 0.00 -1.33 0.00 0.00 58.87 59.37 2rq9 n SER 12 Cb 0.45 -0.67 0.40 0.00 -0.75 0.00 0.00 64.21 63.64 2rq9 n SER 12 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2rq9 n ASN 13 N -4.73 0.10 0.00 -3.46 5.15 -0.21 -3.65 115.26 108.46 2rq9 n ASN 13 Ca 0.36 1.54 0.00 0.00 -0.60 0.00 0.00 54.58 55.88 2rq9 n ASN 13 Cb 1.34 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 39.94 2rq9 n ASN 13 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rq9 n GLY 14 N -1.35 0.00 0.00 8.20 0.00 0.34 -4.76 105.19 107.61 2rq9 n GLY 14 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 2.27 0.72 3.36 -0.02 0.00 0.52 -4.97 105.19 107.06 2rq9 n GLY 15 Ca 0.00 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.43 1.68 -0.03 1.61 3.76 -1.26 -4.62 115.29 115.00 2rq9 s HIS 16 Ca 0.00 -0.95 0.03 0.00 -0.15 0.00 0.00 55.06 53.98 2rq9 s HIS 16 Cb 0.00 -1.01 -0.03 0.00 1.11 0.00 0.00 32.58 32.65 2rq9 s HIS 16 CO 0.00 -0.05 -0.09 -0.06 -0.85 0.00 0.00 174.74 173.69 2rq9 s PHE 17 N -3.41 2.84 -0.21 1.40 0.08 0.48 -2.96 117.98 116.20 2rq9 s PHE 17 Ca 0.32 -0.06 -0.29 0.00 0.12 0.00 0.00 56.93 57.02 2rq9 s PHE 17 Cb 0.07 -1.64 0.00 0.00 -0.57 0.00 0.00 43.02 40.88 2rq9 s PHE 17 CO 0.11 0.31 1.08 -1.17 -0.10 0.00 0.00 175.22 175.45 2rq9 s LEU 18 N -1.05 4.13 0.19 -0.37 2.96 -1.22 -0.42 118.68 122.89 2rq9 s LEU 18 Ca 0.14 1.45 0.11 0.00 -0.22 0.00 0.00 54.13 55.61 2rq9 s LEU 18 Cb -0.11 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 2rq9 s LEU 18 CO 0.04 -0.67 -0.22 0.00 -1.32 0.00 0.00 176.35 174.18 2rq9 s ARG 19 N 3.15 1.46 -0.10 1.98 1.70 -0.84 -4.64 118.95 121.67 2rq9 s ARG 19 Ca 0.46 -1.52 0.03 0.00 -0.47 0.00 0.00 55.73 54.23 2rq9 s ARG 19 Cb -0.17 -1.68 0.01 0.00 -0.57 0.00 0.00 34.95 32.54 2rq9 s ARG 19 CO 0.09 0.35 -0.18 0.42 -1.08 0.00 0.00 175.30 174.90 2rq9 s ILE 20 N -1.89 1.65 0.25 4.99 1.01 -1.26 -2.96 121.20 122.98 2rq9 s ILE 20 Ca 0.20 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 60.11 2rq9 s ILE 20 Cb -0.07 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 2rq9 s ILE 20 CO 0.09 0.47 0.42 -0.76 0.00 0.00 0.00 174.94 175.16 2rq9 s LEU 21 N 0.67 4.20 0.00 2.97 1.43 0.45 -4.85 118.68 123.56 2rq9 s LEU 21 Ca -0.13 0.31 0.22 0.00 -1.03 0.00 0.00 54.13 53.50 2rq9 s LEU 21 Cb -0.16 -3.10 1.32 0.00 0.03 0.00 0.00 46.19 44.28 2rq9 s LEU 21 CO 0.03 -0.11 1.72 -0.81 0.23 0.00 0.00 176.35 177.41 2rq9 n PRO 22 N -1.15 0.75 -0.37 1.29 -0.04 -1.26 -2.04 135.00 132.17 2rq9 n PRO 22 Ca -0.06 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.51 2rq9 n PRO 22 Cb 0.55 -1.46 0.32 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.96 3.92 -1.93 3.54 9.92 -1.26 -4.93 116.55 124.85 2rq9 n ASP 23 Ca 0.17 -2.01 -0.08 0.00 -0.53 0.00 0.00 54.79 52.33 2rq9 n ASP 23 Cb 0.08 -0.48 0.04 0.00 -0.64 0.00 0.00 41.12 40.11 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 1.57 0.20 3.23 0.44 0.00 -0.87 -5.01 105.19 104.76 2rq9 n GLY 24 Ca 0.24 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.14 1.51 -0.07 2.61 2.01 -1.24 -4.26 115.64 113.06 2rq9 s THR 25 Ca 0.11 -1.30 -0.01 0.00 0.31 0.00 0.00 61.69 60.80 2rq9 s THR 25 Cb -0.05 -1.36 0.03 0.00 0.01 0.00 0.00 72.50 71.13 2rq9 s THR 25 CO 0.31 0.01 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.55 2rq9 s VAL 26 N -1.01 0.41 0.11 3.82 1.01 -1.26 -0.41 120.40 123.08 2rq9 s VAL 26 Ca 0.05 0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.04 2rq9 s VAL 26 Cb -0.09 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 2rq9 s VAL 26 CO 0.03 0.26 0.18 -1.81 0.00 0.00 0.00 175.10 173.75 2rq9 s ASP 27 N 1.81 0.17 0.19 3.32 1.11 -1.16 -4.50 116.67 117.61 2rq9 s ASP 27 Ca 0.03 -0.84 -0.15 0.00 0.18 0.00 0.00 52.55 51.76 2rq9 s ASP 27 Cb -0.13 0.35 -0.07 0.00 1.07 0.00 0.00 42.92 44.14 2rq9 s ASP 27 CO -0.05 -0.77 0.61 -0.83 1.18 0.00 0.00 175.17 175.31 2rq9 s GLY 28 N -2.93 2.47 -0.08 0.21 0.00 0.49 -1.99 107.32 105.49 2rq9 s GLY 28 Ca 0.12 -0.06 -0.11 0.00 0.00 0.00 0.00 44.72 44.67 2rq9 s GLY 28 CO -0.06 0.22 0.29 -1.08 0.00 0.00 0.00 173.10 172.47 2rq9 s THR 29 N -1.55 0.02 -0.44 0.90 -1.32 0.43 -4.56 115.64 109.12 2rq9 s THR 29 Ca 0.41 -0.14 0.04 0.00 -1.21 0.00 0.00 61.69 60.79 2rq9 s THR 29 Cb -0.15 -0.46 0.43 0.00 -1.51 0.00 0.00 72.50 70.82 2rq9 s THR 29 CO 0.20 -0.08 1.34 -2.11 -2.21 0.00 0.00 174.62 171.76 2rq9 n ARG 30 N 2.49 3.36 -3.60 7.08 1.85 -1.26 0.18 116.66 126.76 2rq9 n ARG 30 Ca -0.15 -4.13 -0.29 0.00 -1.00 0.00 0.00 57.85 52.28 2rq9 n ARG 30 Cb 0.57 -2.27 -0.13 0.00 -1.05 0.00 0.00 32.46 29.59 2rq9 n ARG 30 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2rq9 s ASP 31 N -3.14 3.36 0.39 2.89 2.15 -1.26 -4.98 116.67 116.09 2rq9 s ASP 31 Ca 0.52 -2.40 0.23 0.00 0.43 0.00 0.00 52.55 51.33 2rq9 s ASP 31 Cb 0.42 -0.75 1.33 0.00 -0.30 0.00 0.00 42.92 43.62 2rq9 s ASP 31 CO -0.09 -0.29 1.61 0.03 -0.17 0.00 0.00 175.17 176.26 2rq9 h ARG 32 N 6.91 0.10 -1.55 4.34 -0.00 -2.03 0.98 114.38 123.11 2rq9 h ARG 32 Ca 0.02 -0.01 0.49 0.00 -0.50 0.00 0.00 59.98 59.98 2rq9 h ARG 32 Cb 0.95 -0.02 -0.11 0.00 0.00 0.00 0.00 29.97 30.79 2rq9 h ARG 32 CO 0.38 0.06 1.06 1.03 0.00 0.00 0.00 179.97 182.51 2rq9 h SER 33 N 0.10 0.13 -1.37 7.04 0.87 -2.01 -3.40 113.55 114.90 2rq9 h SER 33 Ca 0.82 0.08 -0.71 0.00 -1.23 0.00 0.00 61.79 60.75 2rq9 h SER 33 Cb 2.27 0.08 0.07 0.00 -0.44 0.00 0.00 62.40 64.38 2rq9 h SER 33 CO -0.60 -0.12 0.08 -0.67 -0.53 0.00 0.00 176.83 174.98 2rq9 n ASP 34 N -4.41 0.41 -3.16 6.23 -0.08 0.34 -4.85 116.55 111.03 2rq9 n ASP 34 Ca 0.40 1.14 -0.36 0.00 -1.51 0.00 0.00 54.79 54.46 2rq9 n ASP 34 Cb 1.65 -1.05 0.01 0.00 2.34 0.00 0.00 41.12 44.07 2rq9 n ASP 34 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2rq9 n GLN 35 N 1.64 4.03 0.00 -0.67 1.13 -1.26 -4.38 117.38 117.86 2rq9 n GLN 35 Ca 0.18 -4.38 0.00 0.00 -1.94 0.00 0.00 57.00 50.86 2rq9 n GLN 35 Cb 0.17 -2.34 0.00 0.00 0.11 0.00 0.00 30.24 28.18 2rq9 n GLN 35 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2rq9 n HIS 36 N -0.28 -0.68 -0.54 1.08 -0.00 -1.26 -4.91 115.22 108.63 2rq9 n HIS 36 Ca 0.45 0.00 0.45 0.00 0.46 0.00 0.00 57.72 59.08 2rq9 n HIS 36 Cb 0.33 0.14 0.74 0.00 -0.12 0.00 0.00 29.99 31.07 2rq9 n HIS 36 CO 0.00 0.00 0.00 -0.84 0.46 0.00 0.00 176.34 175.96 2rq9 h ILE 37 N 0.00 0.07 -0.78 3.57 3.07 -1.82 -3.34 117.51 118.28 2rq9 h ILE 37 Ca 0.00 0.00 -0.18 0.00 1.55 0.00 0.00 64.86 66.23 2rq9 h ILE 37 Cb 0.00 0.08 -0.01 0.00 -0.27 0.00 0.00 36.82 36.62 2rq9 h ILE 37 CO 0.00 0.00 0.56 -1.10 -1.05 0.00 0.00 178.15 176.56 2rq9 s GLN 38 N -4.78 1.90 0.03 0.16 -0.21 -1.26 -4.76 119.66 110.73 2rq9 s GLN 38 Ca -0.05 0.59 0.01 0.00 0.02 0.00 0.00 55.36 55.93 2rq9 s GLN 38 Cb 0.24 -4.76 -0.04 0.00 1.00 0.00 0.00 33.01 29.45 2rq9 s GLN 38 CO 0.79 -3.95 0.08 -0.51 -2.12 0.00 0.00 175.29 169.58 2rq9 s LEU 39 N 13.26 3.88 -0.29 2.90 1.43 -1.13 -3.99 118.68 134.74 2rq9 s LEU 39 Ca 0.89 0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 54.00 2rq9 s LEU 39 Cb -0.13 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 2rq9 s LEU 39 CO 0.11 0.23 0.11 -1.10 0.23 0.00 0.00 176.35 175.94 2rq9 s GLN 40 N -1.99 3.40 -0.03 1.70 -1.52 -0.90 -1.28 119.66 119.03 2rq9 s GLN 40 Ca 0.26 -0.66 -0.17 0.00 -1.95 0.00 0.00 55.36 52.83 2rq9 s GLN 40 Cb -0.12 -3.46 -0.05 0.00 -0.22 0.00 0.00 33.01 29.16 2rq9 s GLN 40 CO 0.17 -0.35 0.47 -0.51 -0.25 0.00 0.00 175.29 174.83 2rq9 s LEU 41 N 1.60 4.41 0.14 2.90 1.02 -1.26 -2.93 118.68 124.55 2rq9 s LEU 41 Ca 0.05 0.98 0.03 0.00 0.02 0.00 0.00 54.13 55.20 2rq9 s LEU 41 Cb -0.16 -2.70 -0.04 0.00 0.02 0.00 0.00 46.19 43.30 2rq9 s LEU 41 CO 0.05 0.19 -0.06 -0.44 0.02 0.00 0.00 176.35 176.10 2rq9 s SER 42 N -0.41 1.43 -0.13 2.29 0.01 0.59 -4.93 113.70 112.55 2rq9 s SER 42 Ca 0.26 -1.05 0.02 0.00 1.31 0.00 0.00 55.95 56.49 2rq9 s SER 42 Cb -0.17 0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.12 2rq9 s SER 42 CO 0.13 -0.43 -0.21 0.00 0.41 0.00 0.00 173.24 173.14 2rq9 s ALA 43 N -3.51 2.29 -0.16 1.44 0.00 -1.26 0.19 121.76 120.76 2rq9 s ALA 43 Ca 0.16 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 2rq9 s ALA 43 Cb 0.04 -1.01 -0.08 0.00 0.00 0.00 0.00 23.12 22.07 2rq9 s ALA 43 CO -0.01 0.04 -0.18 -1.91 0.00 0.00 0.00 175.76 173.71 2rq9 n GLU 44 N 3.94 0.36 -4.41 0.00 2.13 -1.18 -4.98 120.64 116.50 2rq9 n GLU 44 Ca -0.20 0.12 -0.20 0.00 0.66 0.00 0.00 57.16 57.55 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 -6.04 2.44 0.08 4.31 0.01 -1.25 -5.03 113.70 108.22 2rq9 s SER 45 Ca -0.22 -1.25 -0.31 0.00 1.31 0.00 0.00 55.95 55.49 2rq9 s SER 45 Cb 0.07 -0.10 -0.09 0.00 0.21 0.00 0.00 66.02 66.10 2rq9 s SER 45 CO 0.31 -0.45 1.87 0.54 0.41 0.00 0.00 173.24 175.92 2rq9 s VAL 46 N -3.18 2.80 0.00 3.43 0.11 -1.26 -0.15 120.40 122.14 2rq9 s VAL 46 Ca 0.31 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 2rq9 s VAL 46 Cb 0.06 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.85 2rq9 s VAL 46 CO 0.12 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 2rq9 n GLY 47 N 4.34 0.42 3.40 6.54 0.00 -1.26 -4.99 105.19 113.64 2rq9 n GLY 47 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.55 2.93 0.14 1.61 2.02 0.78 -1.94 118.70 123.69 2rq9 s GLU 48 Ca 0.00 -0.72 0.04 0.00 0.02 0.00 0.00 54.97 54.32 2rq9 s GLU 48 Cb 0.00 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 2rq9 s GLU 48 CO 0.00 0.40 -0.10 0.14 0.02 0.00 0.00 175.26 175.72 2rq9 s VAL 49 N -0.15 1.10 -0.06 2.63 -7.23 0.07 -3.10 120.40 113.66 2rq9 s VAL 49 Ca -0.01 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.18 2rq9 s VAL 49 Cb -0.14 -1.78 0.01 0.00 0.56 0.00 0.00 36.38 35.03 2rq9 s VAL 49 CO 0.03 -0.74 -0.14 -0.31 -0.31 0.00 0.00 175.10 173.64 2rq9 s TYR 50 N -3.25 1.58 -0.26 2.82 2.02 0.51 -1.82 117.35 118.95 2rq9 s TYR 50 Ca 0.15 -0.55 -0.01 0.00 -0.37 0.00 0.00 57.07 56.29 2rq9 s TYR 50 Cb 0.02 -1.12 0.03 0.00 -0.40 0.00 0.00 41.96 40.50 2rq9 s TYR 50 CO -0.00 -0.25 -0.05 0.42 -1.57 0.00 0.00 175.55 174.10 2rq9 s ILE 51 N 0.44 2.83 0.08 2.71 1.01 -1.26 -0.30 121.20 126.72 2rq9 s ILE 51 Ca -0.11 -1.16 0.05 0.00 0.00 0.00 0.00 60.65 59.42 2rq9 s ILE 51 Cb -0.14 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 2rq9 s ILE 51 CO 0.04 0.11 -0.14 -0.75 0.00 0.00 0.00 174.94 174.20 2rq9 s LYS 52 N 1.29 0.85 0.11 2.79 2.20 -1.15 0.02 119.74 125.85 2rq9 s LYS 52 Ca -0.02 -1.01 -0.27 0.00 -0.36 0.00 0.00 55.97 54.31 2rq9 s LYS 52 Cb -0.18 -0.81 -0.06 0.00 -1.51 0.00 0.00 37.83 35.27 2rq9 s LYS 52 CO -0.04 0.17 0.85 -1.12 -0.36 0.00 0.00 175.35 174.86 2rq9 s SER 53 N -1.90 7.39 0.00 1.43 0.01 0.12 -2.12 113.70 118.64 2rq9 s SER 53 Ca 0.00 1.66 0.21 0.00 1.31 0.00 0.00 55.95 59.13 2rq9 s SER 53 Cb -0.09 -2.53 0.55 0.00 0.21 0.00 0.00 66.02 64.16 2rq9 s SER 53 CO 0.02 0.04 1.46 0.35 0.41 0.00 0.00 173.24 175.53 2rq9 n THR 54 N 2.42 0.73 -0.01 1.44 -2.24 -1.26 -3.29 114.28 112.08 2rq9 n THR 54 Ca -0.01 -0.80 -0.01 0.00 -2.27 0.00 0.00 64.05 60.96 2rq9 n THR 54 Cb 0.49 0.56 -0.00 0.00 -2.10 0.00 0.00 70.33 69.28 2rq9 n THR 54 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2rq9 n GLU 55 N 1.34 0.04 -0.08 -0.78 4.07 -1.26 -4.85 120.64 119.12 2rq9 n GLU 55 Ca 0.21 0.02 -0.17 0.00 -0.06 0.00 0.00 57.16 57.15 2rq9 n GLU 55 Cb 0.54 -0.54 -0.12 0.00 -0.06 0.00 0.00 31.44 31.26 2rq9 n GLU 55 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 2rq9 h THR 56 N -0.08 1.39 0.00 6.31 1.35 -1.92 -3.49 112.91 116.48 2rq9 h THR 56 Ca 0.00 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.60 2rq9 h THR 56 Cb 0.08 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 2rq9 h THR 56 CO 0.00 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 2rq9 n GLY 57 N 1.54 0.95 3.38 5.82 0.00 -1.21 -5.09 105.19 110.59 2rq9 n GLY 57 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 0.09 2.53 0.20 1.61 -0.21 -1.26 -4.86 119.66 117.76 2rq9 s GLN 58 Ca 0.00 -0.79 -0.23 0.00 0.02 0.00 0.00 55.36 54.36 2rq9 s GLN 58 Cb 0.00 -2.28 -0.08 0.00 1.00 0.00 0.00 33.01 31.64 2rq9 s GLN 58 CO 0.00 0.51 0.76 0.71 -2.12 0.00 0.00 175.29 175.15 2rq9 s TYR 59 N -0.45 3.77 -0.29 0.91 2.02 0.11 -0.70 117.35 122.72 2rq9 s TYR 59 Ca 0.05 1.53 -0.27 0.00 -0.37 0.00 0.00 57.07 58.01 2rq9 s TYR 59 Cb -0.12 -2.70 0.01 0.00 -0.40 0.00 0.00 41.96 38.75 2rq9 s TYR 59 CO 0.01 0.42 0.95 -1.17 -1.57 0.00 0.00 175.55 174.19 2rq9 s LEU 60 N -1.58 4.03 0.03 -1.29 2.96 0.10 0.19 118.68 123.12 2rq9 s LEU 60 Ca 0.40 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 55.28 2rq9 s LEU 60 Cb -0.20 -3.35 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 2rq9 s LEU 60 CO 0.23 -0.72 -0.04 0.00 -1.32 0.00 0.00 176.35 174.51 2rq9 s ALA 61 N 3.26 0.32 -0.28 5.97 0.00 -0.90 -4.24 121.76 125.89 2rq9 s ALA 61 Ca 0.40 -0.79 -0.07 0.00 0.00 0.00 0.00 51.96 51.50 2rq9 s ALA 61 Cb -0.14 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.14 2rq9 s ALA 61 CO 0.12 -0.18 0.07 1.41 0.00 0.00 0.00 175.76 177.18 2rq9 s MET 62 N -2.10 3.22 0.33 0.00 1.75 -1.26 -0.40 119.30 120.84 2rq9 s MET 62 Ca -0.09 -0.77 -0.06 0.00 -1.25 0.00 0.00 55.69 53.53 2rq9 s MET 62 Cb -0.06 -3.35 0.08 0.00 2.84 0.00 0.00 34.83 34.35 2rq9 s MET 62 CO -0.03 -0.38 0.29 -0.25 -0.65 0.00 0.00 175.02 174.00 2rq9 n ASP 63 N 4.88 -1.36 0.23 1.11 8.00 -0.64 -4.88 116.55 123.89 2rq9 n ASP 63 Ca -0.15 -0.65 0.13 0.00 0.71 0.00 0.00 54.79 54.82 2rq9 n ASP 63 Cb 0.49 -0.27 0.32 0.00 -0.02 0.00 0.00 41.12 41.64 2rq9 n ASP 63 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2rq9 h THR 64 N -1.86 0.07 0.00 -3.53 1.35 -1.99 -2.83 112.91 104.12 2rq9 h THR 64 Ca -0.11 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 2rq9 h THR 64 Cb 0.34 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 2rq9 h THR 64 CO 0.07 0.04 0.00 0.47 -0.25 0.00 0.00 175.52 175.85 2rq9 n ASP 65 N -3.12 0.31 0.00 5.36 8.00 -1.26 -4.82 116.55 121.02 2rq9 n ASP 65 Ca 0.03 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.12 2rq9 n ASP 65 Cb 0.47 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 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 -0.32 1.53 3.93 0.44 0.00 -1.07 -4.62 105.19 105.09 2rq9 n GLY 66 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 3.03 -0.02 0.99 2.01 -1.26 -0.17 118.68 123.26 2rq9 s LEU 67 Ca 0.00 0.44 -0.02 0.00 0.01 0.00 0.00 54.13 54.57 2rq9 s LEU 67 Cb 0.00 -3.19 -0.04 0.00 0.01 0.00 0.00 46.19 42.98 2rq9 s LEU 67 CO 0.00 -1.35 0.10 -0.76 1.01 0.00 0.00 176.35 175.35 2rq9 s LEU 68 N -5.07 4.02 0.05 1.79 1.43 -1.26 -1.61 118.68 118.02 2rq9 s LEU 68 Ca 0.58 0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 53.82 2rq9 s LEU 68 Cb -0.11 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 2rq9 s LEU 68 CO 0.44 0.29 0.14 -0.72 0.23 0.00 0.00 176.35 176.72 2rq9 s TYR 69 N -1.19 0.16 -0.42 0.29 -0.85 0.46 -4.05 117.35 111.76 2rq9 s TYR 69 Ca 0.22 -0.48 -0.29 0.00 -0.52 0.00 0.00 57.07 56.01 2rq9 s TYR 69 Cb -0.12 -0.11 0.02 0.00 0.38 0.00 0.00 41.96 42.13 2rq9 s TYR 69 CO 0.13 -0.42 1.19 0.20 -1.52 0.00 0.00 175.55 175.13 2rq9 s GLY 70 N -2.29 1.32 -0.29 5.49 0.00 -1.26 -2.11 107.32 108.17 2rq9 s GLY 70 Ca -0.03 -0.29 -0.24 0.00 0.00 0.00 0.00 44.72 44.17 2rq9 s GLY 70 CO -0.06 2.47 0.81 -0.56 0.00 0.00 0.00 173.10 175.75 2rq9 s SER 71 N 2.60 6.71 0.10 1.64 0.01 0.49 -4.80 113.70 120.46 2rq9 s SER 71 Ca 0.51 0.78 -0.32 0.00 1.31 0.00 0.00 55.95 58.22 2rq9 s SER 71 Cb -0.10 -2.42 -0.13 0.00 0.21 0.00 0.00 66.02 63.58 2rq9 s SER 71 CO 0.28 -0.59 1.59 -0.61 0.41 0.00 0.00 173.24 174.32 2rq9 h GLN 72 N 8.00 -0.74 -6.12 12.44 4.15 -1.89 0.31 115.11 131.25 2rq9 h GLN 72 Ca -0.24 0.05 -0.51 0.00 0.77 0.00 0.00 58.65 58.72 2rq9 h GLN 72 Cb 1.09 0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.93 2rq9 h GLN 72 CO 0.88 -0.49 -0.47 0.95 -1.93 0.00 0.00 178.83 177.77 2rq9 s THR 73 N -5.94 5.16 -0.25 2.39 -4.23 -1.26 -4.59 115.64 106.92 2rq9 s THR 73 Ca -0.17 -0.88 -0.29 0.00 -1.18 0.00 0.00 61.69 59.17 2rq9 s THR 73 Cb 0.06 -3.72 -0.01 0.00 1.34 0.00 0.00 72.50 70.18 2rq9 s THR 73 CO 0.63 -0.19 1.32 -2.16 -0.54 0.00 0.00 174.62 173.67 2rq9 s PRO 74 N -3.52 4.00 0.17 3.99 0.04 -1.26 -4.81 135.00 133.62 2rq9 s PRO 74 Ca 0.34 1.42 0.08 0.00 0.04 0.00 0.00 61.00 62.87 2rq9 s PRO 74 Cb -0.10 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.54 2rq9 s PRO 74 CO 0.28 -1.01 -0.15 -0.80 0.04 0.00 0.00 177.00 175.36 2rq9 s ASN 75 N 2.68 2.47 0.56 6.66 0.01 -1.26 -5.00 114.94 121.05 2rq9 s ASN 75 Ca 0.57 -0.93 0.35 0.00 -0.71 0.00 0.00 52.86 52.14 2rq9 s ASN 75 Cb -0.19 -0.13 1.49 0.00 0.41 0.00 0.00 41.25 42.83 2rq9 s ASN 75 CO 0.21 -0.13 1.76 -0.33 -1.51 0.00 0.00 177.10 177.11 2rq9 h GLU 76 N 2.97 0.00 -0.10 -0.60 3.07 -1.94 1.47 114.58 119.45 2rq9 h GLU 76 Ca -0.40 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.42 2rq9 h GLU 76 Cb 1.21 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 2rq9 h GLU 76 CO 0.56 0.00 -0.13 0.93 -1.40 0.00 0.00 179.01 178.97 2rq9 h GLU 77 N 0.00 0.16 0.00 2.33 5.08 -1.95 0.68 114.58 120.88 2rq9 h GLU 77 Ca 0.51 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 2rq9 h GLU 77 Cb 2.20 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.42 2rq9 h GLU 77 CO -0.01 0.30 0.00 0.00 -1.00 0.00 0.00 179.01 178.31 2rq9 s LEU 79 N -5.22 4.16 0.31 0.00 2.96 0.23 -4.05 118.68 117.07 2rq9 s LEU 79 Ca 0.05 0.85 0.07 0.00 -0.22 0.00 0.00 54.13 54.89 2rq9 s LEU 79 Cb 0.09 -2.89 -0.06 0.00 0.50 0.00 0.00 46.19 43.83 2rq9 s LEU 79 CO 0.52 -0.25 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.89 2rq9 s PHE 80 N 1.77 2.10 -0.22 5.38 0.40 -0.76 -0.52 117.98 126.13 2rq9 s PHE 80 Ca 0.29 -0.66 -0.08 0.00 -0.60 0.00 0.00 56.93 55.88 2rq9 s PHE 80 Cb -0.16 -1.22 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 2rq9 s PHE 80 CO 0.11 0.35 0.09 -0.51 0.70 0.00 0.00 175.22 175.95 2rq9 s LEU 81 N -3.50 3.77 0.05 -0.37 2.01 0.43 -0.75 118.68 120.31 2rq9 s LEU 81 Ca 0.31 -0.00 0.04 0.00 0.01 0.00 0.00 54.13 54.48 2rq9 s LEU 81 Cb 0.04 -1.98 -0.04 0.00 0.01 0.00 0.00 46.19 44.22 2rq9 s LEU 81 CO 0.14 0.08 -0.01 -0.70 1.01 0.00 0.00 176.35 176.87 2rq9 s GLU 82 N 0.92 2.62 0.18 1.70 -6.30 -0.82 -1.43 118.70 115.56 2rq9 s GLU 82 Ca 0.05 -0.75 -0.12 0.00 -2.50 0.00 0.00 54.97 51.64 2rq9 s GLU 82 Cb -0.14 -2.57 0.00 0.00 0.00 0.00 0.00 34.13 31.43 2rq9 s GLU 82 CO 0.03 0.57 0.37 0.50 0.02 0.00 0.00 175.26 176.75 2rq9 s ARG 83 N -1.96 1.24 -0.35 4.30 3.52 -1.12 -4.79 118.95 119.80 2rq9 s ARG 83 Ca 0.23 -1.06 -0.19 0.00 -0.13 0.00 0.00 55.73 54.58 2rq9 s ARG 83 Cb -0.12 0.43 -0.00 0.00 -1.56 0.00 0.00 34.95 33.70 2rq9 s ARG 83 CO 0.14 -0.48 0.55 -1.17 -0.81 0.00 0.00 175.30 173.53 2rq9 s LEU 84 N -2.93 4.30 -0.01 -0.88 1.98 -1.26 -2.92 118.68 116.96 2rq9 s LEU 84 Ca 0.14 0.06 -0.00 0.00 -2.89 0.00 0.00 54.13 51.44 2rq9 s LEU 84 Cb 0.02 -2.65 -0.04 0.00 0.66 0.00 0.00 46.19 44.18 2rq9 s LEU 84 CO -0.01 -0.51 0.07 -1.61 -1.89 0.00 0.00 176.35 172.41 2rq9 s GLU 85 N 2.49 3.04 1.09 1.98 2.02 0.45 -5.00 118.70 124.77 2rq9 s GLU 85 Ca 0.21 -0.49 -0.15 0.00 0.02 0.00 0.00 54.97 54.56 2rq9 s GLU 85 Cb -0.15 -2.84 0.23 0.00 0.10 0.00 0.00 34.13 31.47 2rq9 s GLU 85 CO 0.14 0.65 0.52 0.39 0.02 0.00 0.00 175.26 176.97 2rq9 n GLU 86 N 1.23 -2.17 -1.32 1.61 1.02 -1.26 -0.71 120.64 119.04 2rq9 n GLU 86 Ca -0.13 -0.88 -0.11 0.00 -0.02 0.00 0.00 57.16 56.02 2rq9 n GLU 86 Cb 0.53 -1.54 -0.05 0.00 -0.02 0.00 0.00 31.44 30.36 2rq9 n GLU 86 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2rq9 n ASN 87 N -2.33 -5.64 -3.19 1.62 3.02 -1.26 -2.23 115.26 105.25 2rq9 n ASN 87 Ca 0.08 0.28 -0.14 0.00 -0.03 0.00 0.00 54.58 54.77 2rq9 n ASN 87 Cb 0.36 -4.12 0.07 0.00 -0.61 0.00 0.00 39.78 35.48 2rq9 n ASN 87 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2rq9 n HIS 88 N -2.24 -2.40 -4.01 3.10 -0.00 -1.19 -5.03 115.22 103.44 2rq9 n HIS 88 Ca -0.11 0.84 -0.08 0.00 0.46 0.00 0.00 57.72 58.83 2rq9 n HIS 88 Cb 0.58 -4.07 -0.09 0.00 -0.12 0.00 0.00 29.99 26.28 2rq9 n HIS 88 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 2rq9 s TYR 89 N -3.37 0.38 0.15 1.57 2.02 0.12 -4.85 117.35 113.37 2rq9 s TYR 89 Ca 0.43 -0.84 0.10 0.00 -0.37 0.00 0.00 57.07 56.39 2rq9 s TYR 89 Cb -0.06 -0.27 -0.04 0.00 -0.40 0.00 0.00 41.96 41.19 2rq9 s TYR 89 CO 0.72 -0.39 -0.22 -0.80 -1.57 0.00 0.00 175.55 173.29 2rq9 s ASN 90 N -2.65 2.95 0.16 2.29 -0.87 0.49 0.17 114.94 117.47 2rq9 s ASN 90 Ca 0.03 -0.81 0.08 0.00 -1.57 0.00 0.00 52.86 50.59 2rq9 s ASN 90 Cb 0.04 -0.19 -0.04 0.00 -0.02 0.00 0.00 41.25 41.04 2rq9 s ASN 90 CO -0.09 0.06 -0.17 0.42 -2.57 0.00 0.00 177.10 174.75 2rq9 s THR 91 N -1.60 1.73 -0.03 1.60 -4.23 -1.15 0.13 115.64 112.09 2rq9 s THR 91 Ca 0.15 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 2rq9 s THR 91 Cb -0.08 -1.80 0.01 0.00 1.34 0.00 0.00 72.50 71.98 2rq9 s THR 91 CO 0.07 -0.34 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.45 2rq9 s TYR 92 N -2.11 0.66 -0.02 3.99 2.02 -1.25 -2.79 117.35 117.85 2rq9 s TYR 92 Ca 0.15 -0.16 0.04 0.00 -0.37 0.00 0.00 57.07 56.73 2rq9 s TYR 92 Cb -0.05 -0.56 -0.01 0.00 -0.40 0.00 0.00 41.96 40.95 2rq9 s TYR 92 CO 0.06 -0.13 -0.13 0.42 -1.57 0.00 0.00 175.55 174.20 2rq9 s ILE 93 N 0.61 1.02 0.29 2.71 1.01 -0.52 -2.50 121.20 123.82 2rq9 s ILE 93 Ca -0.08 -0.52 -0.29 0.00 0.00 0.00 0.00 60.65 59.76 2rq9 s ILE 93 Cb -0.11 -0.87 -0.10 0.00 0.01 0.00 0.00 42.46 41.39 2rq9 s ILE 93 CO -0.00 0.30 1.31 -0.55 0.00 0.00 0.00 174.94 176.00 2rq9 s SER 94 N -0.11 6.82 0.00 3.58 0.15 -1.25 0.16 113.70 123.04 2rq9 s SER 94 Ca 0.01 2.60 0.00 0.00 0.70 0.00 0.00 55.95 59.26 2rq9 s SER 94 Cb -0.07 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2rq9 s SER 94 CO 0.00 -0.53 0.62 1.17 1.20 0.00 0.00 173.24 175.70 2rq9 n LYS 95 N 1.40 0.00 -0.64 5.44 4.81 0.32 0.46 118.16 129.94 2rq9 n LYS 95 Ca 0.02 0.26 0.50 0.00 -0.87 0.00 0.00 58.31 58.23 2rq9 n LYS 95 Cb 0.42 -1.17 0.79 0.00 0.02 0.00 0.00 35.03 35.09 2rq9 n LYS 95 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2rq9 h LYS 96 N 0.00 0.00 -2.07 1.64 1.57 -1.80 0.81 116.57 116.72 2rq9 h LYS 96 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2rq9 h LYS 96 Cb 0.00 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 31.89 2rq9 h LYS 96 CO 0.00 0.00 -0.73 0.72 -0.57 0.00 0.00 179.45 178.87 2rq9 n HIS 97 N -3.91 3.45 -0.04 -1.35 8.25 -1.09 -4.78 115.22 115.75 2rq9 n HIS 97 Ca 0.41 -3.77 -0.22 0.00 -0.26 0.00 0.00 57.72 53.88 2rq9 n HIS 97 Cb 1.92 -0.40 -0.13 0.00 1.12 0.00 0.00 29.99 32.50 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 -0.23 0.92 0.32 -1.41 0.00 0.28 -3.92 120.51 116.47 2rq9 n ALA 98 Ca 0.31 -0.63 0.14 0.00 0.00 0.00 0.00 53.44 53.26 2rq9 n ALA 98 Cb 0.48 -0.56 0.62 0.00 0.00 0.00 0.00 19.45 20.00 2rq9 n ALA 98 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2rq9 h GLU 99 N -0.28 0.00 0.00 0.00 5.08 -1.83 -0.53 114.58 117.02 2rq9 h GLU 99 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2rq9 h GLU 99 Cb 1.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.06 2rq9 h GLU 99 CO -0.03 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.61 2rq9 n LYS 100 N -2.54 0.26 -3.60 2.33 5.02 -1.25 -4.92 118.16 113.45 2rq9 n LYS 100 Ca 0.01 0.03 -0.24 0.00 -2.02 0.00 0.00 58.31 56.09 2rq9 n LYS 100 Cb 0.21 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.36 -5.67 -4.43 4.39 4.13 -0.21 -4.79 115.26 107.33 2rq9 n ASN 101 Ca 0.11 -0.84 -0.33 0.00 1.68 0.00 0.00 54.58 55.20 2rq9 n ASN 101 Cb 0.25 -3.30 -0.13 0.00 -1.54 0.00 0.00 39.78 35.06 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 -3.27 2.86 0.09 3.10 0.51 -1.26 -4.58 118.94 116.40 2rq9 s TRP 102 Ca 0.28 -0.46 0.09 0.00 -2.12 0.00 0.00 56.10 53.88 2rq9 s TRP 102 Cb -0.10 -1.84 -0.04 0.00 -0.81 0.00 0.00 33.47 30.68 2rq9 s TRP 102 CO 0.85 -0.09 -0.19 -0.06 -0.51 0.00 0.00 176.95 176.95 2rq9 s PHE 103 N 0.16 2.51 -0.49 -1.98 0.40 -1.24 -3.89 117.98 113.45 2rq9 s PHE 103 Ca -0.05 -0.28 -0.24 0.00 -0.60 0.00 0.00 56.93 55.76 2rq9 s PHE 103 Cb -0.15 -1.38 0.03 0.00 0.51 0.00 0.00 43.02 42.04 2rq9 s PHE 103 CO 0.04 0.33 0.87 0.08 0.70 0.00 0.00 175.22 177.24 2rq9 s VAL 104 N -1.05 4.52 0.02 -0.44 1.01 -1.04 -4.64 120.40 118.77 2rq9 s VAL 104 Ca 0.16 0.43 -0.09 0.00 0.00 0.00 0.00 61.98 62.48 2rq9 s VAL 104 Cb -0.10 -4.43 0.01 0.00 0.00 0.00 0.00 36.38 31.85 2rq9 s VAL 104 CO 0.08 -0.89 0.18 -0.83 0.00 0.00 0.00 175.10 173.64 2rq9 s GLY 105 N 2.44 0.02 0.27 4.51 0.00 -1.26 -4.59 107.32 108.70 2rq9 s GLY 105 Ca 0.31 -0.14 0.11 0.00 0.00 0.00 0.00 44.72 45.01 2rq9 s GLY 105 CO 0.22 -0.31 -0.16 1.08 0.00 0.00 0.00 173.10 173.94 2rq9 s LEU 106 N -1.69 2.73 0.00 0.66 1.43 -1.26 0.22 118.68 120.77 2rq9 s LEU 106 Ca -0.10 -0.92 0.01 0.00 -1.03 0.00 0.00 54.13 52.09 2rq9 s LEU 106 Cb -0.04 -1.26 0.10 0.00 0.03 0.00 0.00 46.19 45.02 2rq9 s LEU 106 CO -0.00 0.04 0.74 2.29 0.23 0.00 0.00 176.35 179.64 2rq9 n LYS 107 N -0.63 0.19 0.23 1.70 2.85 0.19 -4.58 118.16 118.12 2rq9 n LYS 107 Ca -0.06 -2.15 0.10 0.00 -1.05 0.00 0.00 58.31 55.15 2rq9 n LYS 107 Cb 0.59 -0.44 0.56 0.00 -0.65 0.00 0.00 35.03 35.09 2rq9 n LYS 107 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2rq9 h LYS 108 N 0.00 0.00 -0.17 -1.58 1.57 -1.89 -0.50 116.57 114.00 2rq9 h LYS 108 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2rq9 h LYS 108 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 2rq9 h LYS 108 CO 0.28 0.21 0.00 -1.71 -0.57 0.00 0.00 179.45 177.66 2rq9 n ASN 109 N -3.63 0.93 -3.12 0.86 5.15 -1.26 -4.87 115.26 109.32 2rq9 n ASN 109 Ca -0.01 -1.96 -0.20 0.00 -0.60 0.00 0.00 54.58 51.81 2rq9 n ASN 109 Cb 0.34 -0.11 0.07 0.00 -0.53 0.00 0.00 39.78 39.55 2rq9 n ASN 109 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rq9 n GLY 110 N 0.80 -0.31 3.45 8.20 0.00 -0.20 -4.83 105.19 112.30 2rq9 n GLY 110 Ca 0.07 0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.38 3.80 0.23 1.61 0.01 -1.25 0.19 113.70 114.91 2rq9 s SER 111 Ca 0.44 -0.38 -0.30 0.00 1.31 0.00 0.00 55.95 57.02 2rq9 s SER 111 Cb -0.19 -0.64 -0.10 0.00 0.21 0.00 0.00 66.02 65.29 2rq9 s SER 111 CO 0.62 0.28 1.43 0.00 0.41 0.00 0.00 173.24 175.98 2rq9 s LYS 113 N -0.20 4.35 -0.23 0.00 2.20 0.13 -4.85 119.74 121.15 2rq9 s LYS 113 Ca 0.60 0.52 -0.40 0.00 -0.36 0.00 0.00 55.97 56.34 2rq9 s LYS 113 Cb -0.41 -3.44 -0.18 0.00 -1.51 0.00 0.00 37.83 32.28 2rq9 s LYS 113 CO 0.41 0.13 1.22 0.54 -0.36 0.00 0.00 175.35 177.30 2rq9 n ARG 114 N 3.74 0.00 -0.18 4.03 3.00 -1.26 -4.63 116.66 121.36 2rq9 n ARG 114 Ca -0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 57.85 57.76 2rq9 n ARG 114 Cb 0.51 -1.37 0.08 0.00 0.00 0.00 0.00 32.46 31.69 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 3.67 0.74 0.46 -0.13 0.00 -0.82 0.34 103.07 107.32 2rq9 h GLY 115 Ca -0.43 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2rq9 h GLY 115 CO 0.75 -0.01 0.00 -1.55 0.00 0.00 0.00 176.54 175.72 2rq9 n PRO 116 N -5.02 0.75 -1.86 4.80 -0.04 -1.26 -2.94 135.00 129.43 2rq9 n PRO 116 Ca 0.07 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.27 2rq9 n PRO 116 Cb 0.24 -1.23 0.04 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.73 3.40 -4.46 0.54 5.12 0.12 -5.02 116.66 115.64 2rq9 n ARG 117 Ca 0.08 -3.98 -0.22 0.00 -1.93 0.00 0.00 57.85 51.80 2rq9 n ARG 117 Cb 0.04 -2.27 -0.10 0.00 -1.16 0.00 0.00 32.46 28.96 2rq9 n ARG 117 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2rq9 s THR 118 N -4.62 1.59 0.01 0.55 -4.23 -1.15 -4.76 115.64 103.04 2rq9 s THR 118 Ca 0.54 -2.09 -0.28 0.00 -1.18 0.00 0.00 61.69 58.68 2rq9 s THR 118 Cb 0.43 -2.59 0.10 0.00 1.34 0.00 0.00 72.50 71.77 2rq9 s THR 118 CO 0.03 -0.20 1.25 -1.00 -0.54 0.00 0.00 174.62 174.16 2rq9 s HIS 119 N -3.03 0.01 0.06 3.99 3.76 -1.26 -4.92 115.29 113.89 2rq9 s HIS 119 Ca 0.32 -0.17 -0.23 0.00 -0.15 0.00 0.00 55.06 54.82 2rq9 s HIS 119 Cb 0.06 0.58 -0.06 0.00 1.11 0.00 0.00 32.58 34.26 2rq9 s HIS 119 CO 0.14 -0.37 0.70 0.71 -0.85 0.00 0.00 174.74 175.06 2rq9 s TYR 120 N -2.15 3.76 0.00 1.40 2.02 -1.26 -3.81 117.35 117.31 2rq9 s TYR 120 Ca 0.25 1.41 0.00 0.00 -0.37 0.00 0.00 57.07 58.35 2rq9 s TYR 120 Cb 0.00 -2.72 0.00 0.00 -0.40 0.00 0.00 41.96 38.84 2rq9 s TYR 120 CO -0.01 0.37 0.00 0.41 -1.57 0.00 0.00 175.55 174.75 2rq9 n GLY 121 N 2.20 1.06 3.88 0.71 0.00 -1.26 -5.09 105.19 106.68 2rq9 n GLY 121 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.43 3.77 -0.07 1.61 -0.21 -1.25 -4.97 119.66 118.12 2rq9 s GLN 122 Ca 0.00 0.44 0.13 0.00 0.02 0.00 0.00 55.36 55.96 2rq9 s GLN 122 Cb 0.00 -2.40 0.50 0.00 1.00 0.00 0.00 33.01 32.11 2rq9 s GLN 122 CO 0.00 -0.03 1.38 1.17 -2.12 0.00 0.00 175.29 175.69 2rq9 n LYS 123 N -1.29 2.82 -0.12 2.91 3.00 -1.26 -4.00 118.16 120.23 2rq9 n LYS 123 Ca 0.02 -2.00 -0.23 0.00 -0.00 0.00 0.00 58.31 56.11 2rq9 n LYS 123 Cb 0.54 -1.66 -0.09 0.00 0.00 0.00 0.00 35.03 33.82 2rq9 n LYS 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2rq9 n ALA 124 N 0.78 0.96 0.01 3.14 0.00 -1.26 -1.05 120.51 123.08 2rq9 n ALA 124 Ca 0.18 -0.81 0.05 0.00 0.00 0.00 0.00 53.44 52.87 2rq9 n ALA 124 Cb 0.63 -0.12 0.45 0.00 0.00 0.00 0.00 19.45 20.41 2rq9 n ALA 124 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2rq9 h ILE 125 N -1.00 1.07 -1.83 0.00 3.07 -1.81 -3.39 117.51 113.62 2rq9 h ILE 125 Ca -0.44 -0.17 -0.49 0.00 1.55 0.00 0.00 64.86 65.31 2rq9 h ILE 125 Cb 1.34 0.53 -0.01 0.00 -0.27 0.00 0.00 36.82 38.41 2rq9 h ILE 125 CO -0.27 0.09 1.50 -0.76 -1.05 0.00 0.00 178.15 177.66 2rq9 s LEU 126 N -9.45 3.37 -0.11 0.16 1.43 -1.26 -4.31 118.68 108.51 2rq9 s LEU 126 Ca -0.08 0.82 -0.00 0.00 -1.03 0.00 0.00 54.13 53.84 2rq9 s LEU 126 Cb 0.18 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 2rq9 s LEU 126 CO 0.73 -2.59 -0.11 -0.36 0.23 0.00 0.00 176.35 174.25 2rq9 s PHE 127 N 10.54 2.85 -0.22 0.29 0.40 0.34 -4.12 117.98 128.06 2rq9 s PHE 127 Ca 0.84 -0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 56.74 2rq9 s PHE 127 Cb -0.16 -1.81 0.00 0.00 0.51 0.00 0.00 43.02 41.56 2rq9 s PHE 127 CO 0.25 -0.04 -0.07 -1.17 0.70 0.00 0.00 175.22 174.88 2rq9 s LEU 128 N 0.02 2.82 -0.31 -0.37 0.20 -0.91 0.19 118.68 120.31 2rq9 s LEU 128 Ca -0.03 -0.55 -0.29 0.00 0.69 0.00 0.00 54.13 53.95 2rq9 s LEU 128 Cb -0.14 -1.68 -0.00 0.00 -0.43 0.00 0.00 46.19 43.94 2rq9 s LEU 128 CO 0.04 -0.04 1.35 -2.16 -0.29 0.00 0.00 176.35 175.25 2rq9 s PRO 129 N 1.41 3.85 -0.17 0.98 0.04 -1.25 0.30 135.00 140.15 2rq9 s PRO 129 Ca 0.04 1.24 -0.08 0.00 0.04 0.00 0.00 61.00 62.25 2rq9 s PRO 129 Cb -0.15 -3.92 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 2rq9 s PRO 129 CO -0.05 -1.21 0.08 -0.51 0.04 0.00 0.00 177.00 175.34 2rq9 s LEU 130 N 4.64 3.95 0.45 -3.56 1.43 0.35 -4.85 118.68 121.09 2rq9 s LEU 130 Ca 0.59 0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 53.63 2rq9 s LEU 130 Cb -0.17 -1.99 -0.09 0.00 0.03 0.00 0.00 46.19 43.97 2rq9 s LEU 130 CO 0.25 0.21 1.05 -2.16 0.23 0.00 0.00 176.35 175.93 2rq9 s PRO 131 N 0.13 3.96 0.12 1.29 0.04 -1.26 0.17 135.00 139.45 2rq9 s PRO 131 Ca 0.06 1.44 -0.05 0.00 0.04 0.00 0.00 61.00 62.49 2rq9 s PRO 131 Cb -0.12 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 2rq9 s PRO 131 CO 0.00 -0.31 0.14 0.54 0.04 0.00 0.00 177.00 177.41 2rq9 s VAL 132 N -1.83 0.12 0.28 -0.36 0.11 -1.23 -4.85 120.40 112.64 2rq9 s VAL 132 Ca 0.63 -1.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.09 2rq9 s VAL 132 Cb -0.19 -1.75 0.00 0.00 -1.53 0.00 0.00 36.38 32.91 2rq9 s VAL 132 CO 0.23 -0.54 0.00 -0.24 -3.33 0.00 0.00 175.10 171.22 2rq9 n SER 133 N -0.09 -7.10 -1.29 3.54 2.88 -1.26 -4.26 113.62 106.05 2rq9 n SER 133 Ca -0.09 0.47 0.16 0.00 -1.33 0.00 0.00 58.87 58.08 2rq9 n SER 133 Cb 0.63 -3.61 -0.08 0.00 -0.75 0.00 0.00 64.21 60.39 2rq9 n SER 133 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2rq9 n SER 134 N -3.69 -7.20 -3.83 -3.46 2.88 -1.26 -4.95 113.62 92.11 2rq9 n SER 134 Ca 0.01 1.20 -0.19 0.00 -1.33 0.00 0.00 58.87 58.56 2rq9 n SER 134 Cb 0.55 -4.37 -0.17 0.00 -0.75 0.00 0.00 64.21 59.47 2rq9 n SER 134 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2rq9 s ASP 135 N -6.94 0.84 1.06 -3.46 -1.08 -1.26 -5.14 116.67 100.70 2rq9 s ASP 135 Ca 0.00 -0.07 -0.17 0.00 -0.52 0.00 0.00 52.55 51.79 2rq9 s ASP 135 Cb 0.00 -0.34 0.12 0.00 -1.46 0.00 0.00 42.92 41.24 2rq9 s ASP 135 CO 0.00 -0.11 0.06 0.18 0.52 0.00 0.00 175.17 175.83 2rq9 n LEU 136 N 4.33 -1.86 -2.32 -1.34 4.32 -1.26 -4.53 117.00 114.34 2rq9 n LEU 136 Ca -0.22 -0.27 -0.03 0.00 -0.02 0.00 0.00 56.01 55.47 2rq9 n LEU 136 Cb 0.50 -0.83 0.00 0.00 -1.62 0.00 0.00 43.42 41.48 2rq9 n LEU 136 CO 0.20 -3.15 0.08 1.21 -1.22 0.00 0.00 177.39 174.51 2rq9 n GLU 137 N -1.68 -1.19 -3.51 3.23 2.13 -1.26 -5.08 120.64 113.28 2rq9 n GLU 137 Ca 0.03 1.33 -0.16 0.00 0.66 0.00 0.00 57.16 59.02 2rq9 n GLU 137 Cb 0.50 -3.95 -0.05 0.00 0.27 0.00 0.00 31.44 28.21 2rq9 n GLU 137 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2rq9 s HIS 138 N -2.27 -0.61 0.41 4.31 -3.43 -1.26 -5.14 115.29 107.30 2rq9 s HIS 138 Ca 0.10 0.94 0.00 0.00 -0.80 0.00 0.00 55.06 55.29 2rq9 s HIS 138 Cb -0.03 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 31.56 2rq9 s HIS 138 CO 0.44 -0.62 0.00 0.72 -2.00 0.00 0.00 174.74 173.28 2rq9 n HIS 139 N 0.66 -3.06 -3.95 0.38 8.25 -1.26 -4.85 115.22 111.39 2rq9 n HIS 139 Ca -0.18 1.62 -0.36 0.00 -0.26 0.00 0.00 57.72 58.55 2rq9 n HIS 139 Cb 0.58 -2.78 -0.07 0.00 1.12 0.00 0.00 29.99 28.84 2rq9 n HIS 139 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2rq9 s HIS 140 N -3.21 3.45 0.18 4.41 2.46 -1.26 -5.10 115.29 116.22 2rq9 s HIS 140 Ca 0.00 0.38 0.03 0.00 0.47 0.00 0.00 55.06 55.94 2rq9 s HIS 140 Cb 0.00 -1.97 0.03 0.00 -0.13 0.00 0.00 32.58 30.51 2rq9 s HIS 140 CO 0.00 0.53 0.25 1.58 -2.47 0.00 0.00 174.74 174.63 2rq9 n HIS 141 N 2.50 -2.71 -2.29 3.88 -0.00 -1.26 -4.97 115.22 110.37 2rq9 n HIS 141 Ca -0.19 -0.67 0.00 0.00 -0.00 0.00 0.00 57.72 56.86 2rq9 n HIS 141 Cb 0.54 -0.17 0.00 0.00 -0.00 0.00 0.00 29.99 30.36 2rq9 n HIS 141 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2rq9 n HIS 142 N -1.38 -5.00 1.14 1.57 8.25 -1.26 -5.29 115.22 113.25 2rq9 n HIS 142 Ca 0.05 2.99 0.09 0.00 -0.26 0.00 0.00 57.72 60.59 2rq9 n HIS 142 Cb 0.19 -3.83 0.54 0.00 1.12 0.00 0.00 29.99 28.01 2rq9 n HIS 142 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70