#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 3.72 -0.08 7.83 4.22 -1.26 -4.92 114.94 124.45 2rq9 s ASN 2 Ca 0.00 -1.60 0.01 0.00 -2.14 0.00 0.00 52.86 49.13 2rq9 s ASN 2 Cb 0.00 -0.62 0.02 0.00 1.28 0.00 0.00 41.25 41.93 2rq9 s ASN 2 CO 0.00 -0.41 -0.09 -0.31 -2.04 0.00 0.00 177.10 174.25 2rq9 s TYR 3 N 1.70 1.35 0.76 1.54 1.51 -1.26 -5.14 117.35 117.82 2rq9 s TYR 3 Ca 0.11 -0.57 -0.12 0.00 -1.01 0.00 0.00 57.07 55.48 2rq9 s TYR 3 Cb -0.18 -1.08 0.05 0.00 -0.11 0.00 0.00 41.96 40.65 2rq9 s TYR 3 CO -0.26 -0.37 1.14 0.15 -1.11 0.00 0.00 175.55 175.10 2rq9 s LYS 4 N 1.19 2.36 0.40 -0.62 1.02 -1.26 -4.91 119.74 117.92 2rq9 s LYS 4 Ca -0.05 0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.23 2rq9 s LYS 4 Cb -0.14 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 2rq9 s LYS 4 CO -0.02 -1.36 0.00 1.63 -0.92 0.00 0.00 175.35 174.68 2rq9 n LYS 5 N -3.19 -2.35 -1.55 1.68 4.01 -1.26 -4.93 118.16 110.57 2rq9 n LYS 5 Ca 0.07 1.89 -0.29 0.00 -0.51 0.00 0.00 58.31 59.47 2rq9 n LYS 5 Cb 0.59 -2.58 0.12 0.00 -0.51 0.00 0.00 35.03 32.66 2rq9 n LYS 5 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2rq9 s PRO 6 N -4.19 1.39 0.30 1.97 0.04 -1.26 -4.87 135.00 128.39 2rq9 s PRO 6 Ca 0.00 0.38 0.05 0.00 0.04 0.00 0.00 61.00 61.47 2rq9 s PRO 6 Cb 0.00 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 2rq9 s PRO 6 CO 0.00 -2.04 0.26 -1.59 0.04 0.00 0.00 177.00 173.67 2rq9 s LYS 7 N -5.25 1.65 -0.03 4.56 0.00 -0.84 -2.78 119.74 117.05 2rq9 s LYS 7 Ca 0.63 -1.92 0.06 0.00 0.00 0.00 0.00 55.97 54.74 2rq9 s LYS 7 Cb -0.15 0.32 -0.01 0.00 0.00 0.00 0.00 37.83 37.99 2rq9 s LYS 7 CO 0.53 -0.61 -0.21 -0.51 0.00 0.00 0.00 175.35 174.56 2rq9 s LEU 8 N -3.32 2.02 -0.42 2.77 1.43 0.26 -2.96 118.68 118.46 2rq9 s LEU 8 Ca 0.40 -0.40 -0.20 0.00 -1.03 0.00 0.00 54.13 52.89 2rq9 s LEU 8 Cb 0.03 -1.12 0.02 0.00 0.03 0.00 0.00 46.19 45.15 2rq9 s LEU 8 CO 0.24 0.24 0.63 -0.76 0.23 0.00 0.00 176.35 176.93 2rq9 s LEU 9 N -0.35 4.48 0.31 1.79 1.43 -1.26 0.16 118.68 125.24 2rq9 s LEU 9 Ca 0.04 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 2rq9 s LEU 9 Cb -0.10 -2.71 -0.07 0.00 0.03 0.00 0.00 46.19 43.34 2rq9 s LEU 9 CO 0.00 -0.73 0.66 -0.47 0.23 0.00 0.00 176.35 176.04 2rq9 s TYR 10 N 2.76 3.43 -0.65 0.29 5.04 -0.11 -2.92 117.35 125.19 2rq9 s TYR 10 Ca 0.22 0.99 0.05 0.00 -2.44 0.00 0.00 57.07 55.89 2rq9 s TYR 10 Cb -0.14 -2.37 0.16 0.00 0.35 0.00 0.00 41.96 39.96 2rq9 s TYR 10 CO 0.18 0.11 0.45 0.00 -1.34 0.00 0.00 175.55 174.94 2rq9 n SER 12 N 2.21 0.28 -3.62 0.00 3.41 -1.25 0.19 113.62 114.83 2rq9 n SER 12 Ca 0.19 1.50 -0.43 0.00 -0.26 0.00 0.00 58.87 59.87 2rq9 n SER 12 Cb 0.36 -0.72 -0.07 0.00 -0.26 0.00 0.00 64.21 63.52 2rq9 n SER 12 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2rq9 n ASN 13 N -5.07 2.12 0.00 4.04 5.15 -1.16 -3.25 115.26 117.09 2rq9 n ASN 13 Ca 0.33 -2.63 0.00 0.00 -0.60 0.00 0.00 54.58 51.68 2rq9 n ASN 13 Cb 1.12 -0.97 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 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 4.69 3.39 0.60 8.20 0.00 -1.05 -4.06 105.19 116.96 2rq9 n GLY 14 Ca 0.49 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 -0.90 3.36 -0.02 0.00 0.50 -5.06 105.19 103.07 2rq9 n GLY 15 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.11 -0.23 -0.03 1.61 3.76 -1.24 -4.45 115.29 114.61 2rq9 s HIS 16 Ca 0.00 -0.07 0.04 0.00 -0.15 0.00 0.00 55.06 54.87 2rq9 s HIS 16 Cb 0.00 0.32 -0.03 0.00 1.11 0.00 0.00 32.58 33.98 2rq9 s HIS 16 CO 0.00 -0.75 -0.12 -0.06 -0.85 0.00 0.00 174.74 172.95 2rq9 s PHE 17 N -3.81 2.75 -0.16 1.40 0.08 0.27 -1.18 117.98 117.33 2rq9 s PHE 17 Ca 0.04 -0.12 -0.29 0.00 0.12 0.00 0.00 56.93 56.67 2rq9 s PHE 17 Cb 0.01 -1.61 -0.00 0.00 -0.57 0.00 0.00 43.02 40.84 2rq9 s PHE 17 CO -0.11 0.26 1.07 -1.17 -0.10 0.00 0.00 175.22 175.17 2rq9 s LEU 18 N -0.98 4.18 0.12 -0.37 2.96 -1.15 0.12 118.68 123.55 2rq9 s LEU 18 Ca 0.13 1.51 0.08 0.00 -0.22 0.00 0.00 54.13 55.63 2rq9 s LEU 18 Cb -0.11 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 2rq9 s LEU 18 CO 0.03 -0.59 -0.20 0.00 -1.32 0.00 0.00 176.35 174.26 2rq9 s ARG 19 N 2.72 1.15 -0.22 1.98 1.70 -1.01 -4.49 118.95 120.78 2rq9 s ARG 19 Ca 0.48 -1.22 0.01 0.00 -0.47 0.00 0.00 55.73 54.53 2rq9 s ARG 19 Cb -0.18 -1.36 0.05 0.00 -0.57 0.00 0.00 34.95 32.90 2rq9 s ARG 19 CO 0.13 0.30 -0.08 0.42 -1.08 0.00 0.00 175.30 174.99 2rq9 s ILE 20 N -1.39 1.65 0.54 4.99 1.01 -1.01 -3.16 121.20 123.83 2rq9 s ILE 20 Ca 0.08 -1.19 -0.12 0.00 0.00 0.00 0.00 60.65 59.43 2rq9 s ILE 20 Cb -0.09 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 2rq9 s ILE 20 CO 0.05 0.01 0.94 -0.76 0.00 0.00 0.00 174.94 175.18 2rq9 s LEU 21 N 1.36 3.49 0.00 2.97 1.43 -0.14 -4.68 118.68 123.11 2rq9 s LEU 21 Ca -0.05 1.34 0.23 0.00 -1.03 0.00 0.00 54.13 54.62 2rq9 s LEU 21 Cb -0.18 -4.32 1.36 0.00 0.03 0.00 0.00 46.19 43.08 2rq9 s LEU 21 CO -0.07 -0.67 1.74 -0.81 0.23 0.00 0.00 176.35 176.77 2rq9 n PRO 22 N -2.12 0.75 -0.11 1.29 -0.04 -1.26 -1.97 135.00 131.54 2rq9 n PRO 22 Ca 0.05 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 2rq9 n PRO 22 Cb 0.54 -1.47 0.22 0.00 -0.04 0.00 0.00 33.50 32.75 2rq9 n PRO 22 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2rq9 n ASP 23 N -0.97 2.98 -1.06 3.54 2.03 -1.26 -4.94 116.55 116.87 2rq9 n ASP 23 Ca 0.17 -1.93 -0.01 0.00 0.52 0.00 0.00 54.79 53.54 2rq9 n ASP 23 Cb 0.08 -0.15 0.01 0.00 -0.72 0.00 0.00 41.12 40.34 2rq9 n ASP 23 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rq9 n GLY 24 N 1.40 0.49 3.20 0.27 0.00 -0.83 -5.06 105.19 104.64 2rq9 n GLY 24 Ca 0.17 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.02 1.50 -0.15 2.61 2.01 -1.23 -4.63 115.64 112.72 2rq9 s THR 25 Ca 0.01 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.10 2rq9 s THR 25 Cb -0.00 -1.26 0.05 0.00 0.01 0.00 0.00 72.50 71.30 2rq9 s THR 25 CO 0.05 0.36 0.03 -0.69 -0.69 0.00 0.00 174.62 173.67 2rq9 s VAL 26 N -0.52 0.45 0.13 3.82 1.01 -1.26 -0.97 120.40 123.06 2rq9 s VAL 26 Ca 0.07 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 2rq9 s VAL 26 Cb -0.08 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.45 2rq9 s VAL 26 CO -0.00 -0.06 0.27 1.51 0.00 0.00 0.00 175.10 176.82 2rq9 s ASP 27 N 1.91 0.02 0.20 3.32 1.47 -1.19 -4.69 116.67 117.71 2rq9 s ASP 27 Ca 0.01 -0.67 -0.23 0.00 1.18 0.00 0.00 52.55 52.85 2rq9 s ASP 27 Cb -0.15 0.41 -0.08 0.00 -0.34 0.00 0.00 42.92 42.75 2rq9 s ASP 27 CO -0.07 -0.82 0.76 -0.83 0.68 0.00 0.00 175.17 174.88 2rq9 s GLY 28 N -2.89 2.77 -0.10 2.12 0.00 -1.26 -2.40 107.32 105.56 2rq9 s GLY 28 Ca 0.09 0.28 -0.06 0.00 0.00 0.00 0.00 44.72 45.03 2rq9 s GLY 28 CO -0.07 0.71 0.23 -1.08 0.00 0.00 0.00 173.10 172.89 2rq9 s THR 29 N -1.34 -0.03 -0.88 0.90 -1.32 0.12 -4.77 115.64 108.31 2rq9 s THR 29 Ca 0.40 0.11 -0.00 0.00 -1.21 0.00 0.00 61.69 60.98 2rq9 s THR 29 Cb -0.20 -0.35 0.34 0.00 -1.51 0.00 0.00 72.50 70.78 2rq9 s THR 29 CO 0.23 0.04 1.75 -2.11 -2.21 0.00 0.00 174.62 172.32 2rq9 n ARG 30 N 3.85 4.21 -3.41 7.08 1.85 -1.26 0.97 116.66 129.95 2rq9 n ARG 30 Ca -0.22 -4.31 -0.25 0.00 -1.00 0.00 0.00 57.85 52.07 2rq9 n ARG 30 Cb 0.54 -2.37 -0.10 0.00 -1.05 0.00 0.00 32.46 29.49 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 -1.65 2.16 0.44 2.89 2.15 -1.26 -4.98 116.67 116.42 2rq9 s ASP 31 Ca 0.45 -2.16 0.32 0.00 0.43 0.00 0.00 52.55 51.59 2rq9 s ASP 31 Cb 0.29 -0.10 1.49 0.00 -0.30 0.00 0.00 42.92 44.31 2rq9 s ASP 31 CO -0.23 -0.27 1.57 0.54 -0.17 0.00 0.00 175.17 176.62 2rq9 n ARG 32 N 3.88 -0.04 -0.34 4.34 3.00 -1.26 0.19 116.66 126.43 2rq9 n ARG 32 Ca 0.15 1.27 0.04 0.00 -0.01 0.00 0.00 57.85 59.30 2rq9 n ARG 32 Cb 0.41 -2.49 0.10 0.00 0.00 0.00 0.00 32.46 30.48 2rq9 n ARG 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2rq9 n SER 33 N -4.78 -0.40 -4.47 0.55 2.88 -1.26 -4.45 113.62 101.70 2rq9 n SER 33 Ca 0.40 1.58 -0.45 0.00 -1.33 0.00 0.00 58.87 59.07 2rq9 n SER 33 Cb 1.56 -0.45 -0.02 0.00 -0.75 0.00 0.00 64.21 64.56 2rq9 n SER 33 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2rq9 n ASP 34 N -5.45 -0.43 -0.00 -3.46 8.00 0.13 -4.88 116.55 110.45 2rq9 n ASP 34 Ca 0.13 1.09 0.06 0.00 0.71 0.00 0.00 54.79 56.79 2rq9 n ASP 34 Cb 0.43 -1.09 -0.09 0.00 -0.02 0.00 0.00 41.12 40.35 2rq9 n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rq9 n GLN 35 N 0.86 1.27 0.00 -1.24 6.02 -1.26 -4.30 117.38 118.73 2rq9 n GLN 35 Ca 0.14 -0.08 0.12 0.00 -0.01 0.00 0.00 57.00 57.17 2rq9 n GLN 35 Cb 0.31 -1.24 0.56 0.00 1.02 0.00 0.00 30.24 30.89 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 -1.72 0.00 0.45 1.08 8.25 -1.26 -2.16 115.22 119.86 2rq9 n HIS 36 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 2rq9 n HIS 36 Cb 0.29 -0.37 0.24 0.00 1.12 0.00 0.00 29.99 31.27 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 0.00 -0.45 1.59 3.07 -1.79 -2.68 117.51 117.25 2rq9 h ILE 37 Ca 0.00 -0.67 -0.23 0.00 1.55 0.00 0.00 64.86 65.50 2rq9 h ILE 37 Cb 0.30 1.51 -0.03 0.00 -0.27 0.00 0.00 36.82 38.32 2rq9 h ILE 37 CO 0.00 0.00 0.70 -1.10 -1.05 0.00 0.00 178.15 176.70 2rq9 s GLN 38 N -3.18 2.18 0.06 0.16 -0.21 -0.92 -4.70 119.66 113.06 2rq9 s GLN 38 Ca 0.07 -0.66 -0.11 0.00 0.02 0.00 0.00 55.36 54.69 2rq9 s GLN 38 Cb 0.10 -5.11 -0.06 0.00 1.00 0.00 0.00 33.01 28.95 2rq9 s GLN 38 CO 0.67 -4.17 0.40 -0.51 -2.12 0.00 0.00 175.29 169.56 2rq9 s LEU 39 N 12.29 4.37 -0.30 2.90 1.43 -1.16 -1.17 118.68 137.04 2rq9 s LEU 39 Ca 0.74 0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 54.58 2rq9 s LEU 39 Cb -0.04 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.27 2rq9 s LEU 39 CO 0.10 0.20 0.11 -1.10 0.23 0.00 0.00 176.35 175.89 2rq9 s GLN 40 N -1.76 3.16 -0.11 1.70 -0.21 0.47 -1.99 119.66 120.92 2rq9 s GLN 40 Ca 0.31 -0.82 -0.14 0.00 0.02 0.00 0.00 55.36 54.74 2rq9 s GLN 40 Cb -0.14 -3.45 -0.05 0.00 1.00 0.00 0.00 33.01 30.37 2rq9 s GLN 40 CO 0.17 -0.44 0.32 -0.51 -2.12 0.00 0.00 175.29 172.71 2rq9 s LEU 41 N 1.54 4.32 0.14 2.90 1.02 -1.25 -1.82 118.68 125.53 2rq9 s LEU 41 Ca 0.03 0.64 0.03 0.00 0.02 0.00 0.00 54.13 54.85 2rq9 s LEU 41 Cb -0.17 -2.42 -0.04 0.00 0.02 0.00 0.00 46.19 43.57 2rq9 s LEU 41 CO 0.04 0.18 -0.06 -0.44 0.02 0.00 0.00 176.35 176.09 2rq9 s SER 42 N -0.07 1.44 -0.10 2.29 0.01 -0.08 -4.93 113.70 112.25 2rq9 s SER 42 Ca 0.19 -1.06 0.03 0.00 1.31 0.00 0.00 55.95 56.42 2rq9 s SER 42 Cb -0.14 0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.14 2rq9 s SER 42 CO 0.07 -0.44 -0.22 0.00 0.41 0.00 0.00 173.24 173.06 2rq9 s ALA 43 N -3.51 2.26 -0.02 1.44 0.00 -1.26 0.18 121.76 120.85 2rq9 s ALA 43 Ca 0.17 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 2rq9 s ALA 43 Cb 0.04 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 2rq9 s ALA 43 CO -0.00 0.29 -0.04 0.39 0.00 0.00 0.00 175.76 176.39 2rq9 n GLU 44 N 3.50 0.07 -4.39 0.00 1.02 -1.04 -5.00 120.64 114.81 2rq9 n GLU 44 Ca -0.19 0.03 -0.19 0.00 -0.02 0.00 0.00 57.16 56.79 2rq9 n GLU 44 Cb 0.53 -0.62 -0.10 0.00 -0.02 0.00 0.00 31.44 31.22 2rq9 n GLU 44 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2rq9 s SER 45 N -5.38 2.30 0.02 1.62 0.01 -1.23 -5.02 113.70 106.02 2rq9 s SER 45 Ca -0.05 -1.22 -0.34 0.00 1.31 0.00 0.00 55.95 55.65 2rq9 s SER 45 Cb 0.02 -0.08 -0.13 0.00 0.21 0.00 0.00 66.02 66.04 2rq9 s SER 45 CO 0.06 -0.45 1.71 0.52 0.41 0.00 0.00 173.24 175.49 2rq9 n VAL 46 N -0.52 0.28 -1.17 3.43 0.31 -1.26 0.90 118.33 120.30 2rq9 n VAL 46 Ca -0.05 -0.05 -0.06 0.00 -0.01 0.00 0.00 64.34 64.17 2rq9 n VAL 46 Cb 0.64 -1.63 -0.02 0.00 -0.91 0.00 0.00 33.84 31.91 2rq9 n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2rq9 n GLY 47 N 3.84 0.68 3.27 2.92 0.00 -1.26 -4.96 105.19 109.68 2rq9 n GLY 47 Ca 0.20 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.15 3.28 0.06 1.61 2.02 0.26 -1.79 118.70 121.99 2rq9 s GLU 48 Ca 0.00 -0.68 0.05 0.00 0.02 0.00 0.00 54.97 54.36 2rq9 s GLU 48 Cb 0.00 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.34 2rq9 s GLU 48 CO 0.00 -0.16 -0.14 0.14 0.02 0.00 0.00 175.26 175.12 2rq9 s VAL 49 N 1.33 1.09 -0.11 2.63 -7.23 -0.51 -2.49 120.40 115.10 2rq9 s VAL 49 Ca 0.04 -1.19 0.01 0.00 -1.81 0.00 0.00 61.98 59.03 2rq9 s VAL 49 Cb -0.14 -1.03 -0.01 0.00 0.56 0.00 0.00 36.38 35.75 2rq9 s VAL 49 CO -0.05 -0.15 -0.15 -0.31 -0.31 0.00 0.00 175.10 174.13 2rq9 s TYR 50 N -1.13 2.76 -0.24 2.82 2.02 0.13 -1.66 117.35 122.05 2rq9 s TYR 50 Ca -0.01 -0.62 -0.04 0.00 -0.37 0.00 0.00 57.07 56.03 2rq9 s TYR 50 Cb -0.09 -1.79 -0.00 0.00 -0.40 0.00 0.00 41.96 39.67 2rq9 s TYR 50 CO 0.02 -0.18 -0.03 0.42 -1.57 0.00 0.00 175.55 174.21 2rq9 s ILE 51 N 0.19 3.39 0.07 2.71 1.01 -1.25 -0.90 121.20 126.41 2rq9 s ILE 51 Ca -0.09 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.00 2rq9 s ILE 51 Cb -0.15 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 2rq9 s ILE 51 CO 0.05 0.34 -0.09 -1.59 0.00 0.00 0.00 174.94 173.65 2rq9 s LYS 52 N 1.46 0.70 0.07 2.79 -2.85 -0.76 -1.02 119.74 120.13 2rq9 s LYS 52 Ca 0.04 -0.97 -0.23 0.00 -1.00 0.00 0.00 55.97 53.82 2rq9 s LYS 52 Cb -0.15 -0.43 -0.06 0.00 -2.06 0.00 0.00 37.83 35.12 2rq9 s LYS 52 CO -0.03 0.07 0.68 0.45 0.10 0.00 0.00 175.35 176.63 2rq9 s SER 53 N -2.02 7.17 -0.02 0.03 0.15 0.13 0.18 113.70 119.30 2rq9 s SER 53 Ca -0.02 1.39 0.22 0.00 0.70 0.00 0.00 55.95 58.24 2rq9 s SER 53 Cb -0.06 -2.43 0.67 0.00 -1.71 0.00 0.00 66.02 62.49 2rq9 s SER 53 CO -0.00 0.14 1.57 0.35 1.20 0.00 0.00 173.24 176.50 2rq9 n THR 54 N 2.24 1.18 0.00 6.45 -2.24 -0.32 -3.87 114.28 117.73 2rq9 n THR 54 Ca -0.06 -1.04 0.00 0.00 -2.27 0.00 0.00 64.05 60.68 2rq9 n THR 54 Cb 0.50 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 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 1.56 0.00 0.16 -0.78 4.07 -1.26 -4.90 120.64 119.49 2rq9 n GLU 55 Ca 0.25 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.28 2rq9 n GLU 55 Cb 0.68 -0.20 -0.03 0.00 -0.06 0.00 0.00 31.44 31.83 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 0.00 0.00 0.00 6.31 1.35 -1.83 -3.49 112.91 115.25 2rq9 h THR 56 Ca 0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 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 0.23 0.68 3.35 5.82 0.00 -1.25 -5.08 105.19 108.94 2rq9 n GLY 57 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 1.34 0.02 1.61 -0.21 -1.26 -4.95 119.66 116.21 2rq9 s GLN 58 Ca 0.00 -1.61 0.00 0.00 0.02 0.00 0.00 55.36 53.77 2rq9 s GLN 58 Cb 0.00 -1.06 -0.04 0.00 1.00 0.00 0.00 33.01 32.91 2rq9 s GLN 58 CO 0.00 0.14 0.08 0.71 -2.12 0.00 0.00 175.29 174.11 2rq9 s TYR 59 N -3.03 3.27 -0.36 0.91 2.02 -1.23 0.19 117.35 119.12 2rq9 s TYR 59 Ca 0.23 0.18 -0.28 0.00 -0.37 0.00 0.00 57.07 56.84 2rq9 s TYR 59 Cb 0.01 -1.71 0.02 0.00 -0.40 0.00 0.00 41.96 39.87 2rq9 s TYR 59 CO 0.07 0.54 1.03 -1.17 -1.57 0.00 0.00 175.55 174.46 2rq9 s LEU 60 N -1.90 3.91 0.06 -1.29 2.96 -0.19 -1.66 118.68 120.57 2rq9 s LEU 60 Ca 0.25 0.78 0.01 0.00 -0.22 0.00 0.00 54.13 54.95 2rq9 s LEU 60 Cb -0.12 -3.44 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 2rq9 s LEU 60 CO 0.16 -0.93 -0.06 0.00 -1.32 0.00 0.00 176.35 174.20 2rq9 s ALA 61 N 3.71 0.62 -0.12 5.97 0.00 -1.03 -4.43 121.76 126.49 2rq9 s ALA 61 Ca 0.43 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 2rq9 s ALA 61 Cb -0.11 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 2rq9 s ALA 61 CO 0.19 -0.17 0.02 1.41 0.00 0.00 0.00 175.76 177.21 2rq9 s MET 62 N -2.67 3.30 0.00 0.00 1.75 -1.26 -1.02 119.30 119.40 2rq9 s MET 62 Ca -0.01 -0.39 0.00 0.00 -1.25 0.00 0.00 55.69 54.04 2rq9 s MET 62 Cb -0.02 -2.92 0.00 0.00 2.84 0.00 0.00 34.83 34.73 2rq9 s MET 62 CO -0.03 0.57 0.00 -0.25 -0.65 0.00 0.00 175.02 174.65 2rq9 n ASP 63 N 2.58 0.00 0.13 1.11 8.00 -0.10 -4.97 116.55 123.29 2rq9 n ASP 63 Ca -0.18 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.35 2rq9 n ASP 63 Cb 0.53 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.70 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 -0.34 1.17 0.00 -3.53 1.35 -2.00 -2.87 112.91 106.69 2rq9 h THR 64 Ca 0.00 -2.39 0.00 0.00 -0.55 0.00 0.00 66.41 63.47 2rq9 h THR 64 Cb 0.00 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2rq9 h THR 64 CO 0.00 0.61 0.00 0.47 -0.25 0.00 0.00 175.52 176.35 2rq9 n ASP 65 N -3.39 0.00 0.00 5.36 9.92 -1.26 -4.81 116.55 122.37 2rq9 n ASP 65 Ca 0.01 0.32 0.00 0.00 -0.53 0.00 0.00 54.79 54.59 2rq9 n ASP 65 Cb 0.73 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.80 2rq9 n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rq9 n GLY 66 N -0.06 0.69 3.96 0.44 0.00 -1.08 -4.63 105.19 104.51 2rq9 n GLY 66 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 4.06 0.02 0.99 2.01 -1.26 -0.21 118.68 124.29 2rq9 s LEU 67 Ca 0.00 0.17 -0.06 0.00 0.01 0.00 0.00 54.13 54.25 2rq9 s LEU 67 Cb 0.00 -3.02 -0.05 0.00 0.01 0.00 0.00 46.19 43.13 2rq9 s LEU 67 CO 0.00 -0.30 0.27 -0.76 1.01 0.00 0.00 176.35 176.57 2rq9 s LEU 68 N -4.21 4.36 0.20 1.79 1.43 -1.26 -0.92 118.68 120.08 2rq9 s LEU 68 Ca 0.40 0.54 -0.10 0.00 -1.03 0.00 0.00 54.13 53.94 2rq9 s LEU 68 Cb -0.09 -2.71 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 2rq9 s LEU 68 CO 0.33 0.24 0.35 -0.72 0.23 0.00 0.00 176.35 176.78 2rq9 s TYR 69 N -1.32 0.45 -0.17 0.29 -0.85 -0.19 -4.14 117.35 111.42 2rq9 s TYR 69 Ca 0.28 -0.80 -0.22 0.00 -0.52 0.00 0.00 57.07 55.82 2rq9 s TYR 69 Cb -0.13 -0.00 -0.03 0.00 0.38 0.00 0.00 41.96 42.18 2rq9 s TYR 69 CO 0.17 -0.82 0.67 0.20 -1.52 0.00 0.00 175.55 174.25 2rq9 s GLY 70 N -3.01 2.17 0.05 5.49 0.00 -1.26 -2.47 107.32 108.29 2rq9 s GLY 70 Ca 0.22 -0.14 -0.23 0.00 0.00 0.00 0.00 44.72 44.57 2rq9 s GLY 70 CO 0.05 1.33 0.71 -1.35 0.00 0.00 0.00 173.10 173.84 2rq9 s SER 71 N 1.09 7.16 0.25 1.64 1.04 -0.66 -4.87 113.70 119.34 2rq9 s SER 71 Ca 0.32 1.38 0.13 0.00 0.48 0.00 0.00 55.95 58.26 2rq9 s SER 71 Cb -0.16 -2.44 0.10 0.00 0.10 0.00 0.00 66.02 63.62 2rq9 s SER 71 CO 0.12 0.07 1.45 -0.61 0.98 0.00 0.00 173.24 175.26 2rq9 h GLN 72 N 5.45 0.00 -4.69 4.02 5.75 -1.94 -3.26 115.11 120.44 2rq9 h GLN 72 Ca -0.45 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 57.82 2rq9 h GLN 72 Cb 1.20 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 29.60 2rq9 h GLN 72 CO 0.70 0.63 -0.70 0.95 -2.65 0.00 0.00 178.83 177.75 2rq9 s THR 73 N -3.02 0.73 -0.46 2.39 -4.23 -1.26 -5.04 115.64 104.75 2rq9 s THR 73 Ca 0.02 -1.90 -0.28 0.00 -1.18 0.00 0.00 61.69 58.35 2rq9 s THR 73 Cb 0.09 -1.64 0.01 0.00 1.34 0.00 0.00 72.50 72.30 2rq9 s THR 73 CO 0.76 -0.83 1.44 -2.16 -0.54 0.00 0.00 174.62 173.28 2rq9 s PRO 74 N -3.69 3.45 0.14 3.99 0.04 -1.26 -4.94 135.00 132.72 2rq9 s PRO 74 Ca 0.11 0.79 0.07 0.00 0.04 0.00 0.00 61.00 62.01 2rq9 s PRO 74 Cb 0.04 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 2rq9 s PRO 74 CO -0.04 -1.73 -0.16 -0.80 0.04 0.00 0.00 177.00 174.30 2rq9 s ASN 75 N 4.30 2.33 0.55 6.66 0.01 -1.26 -5.00 114.94 122.53 2rq9 s ASN 75 Ca 0.59 -0.82 0.42 0.00 -0.71 0.00 0.00 52.86 52.35 2rq9 s ASN 75 Cb -0.13 -0.11 1.62 0.00 0.41 0.00 0.00 41.25 43.03 2rq9 s ASN 75 CO 0.30 -0.08 1.71 -0.08 -1.51 0.00 0.00 177.10 177.44 2rq9 h GLU 76 N 3.48 0.00 -0.58 -0.60 4.81 -1.94 1.45 114.58 121.20 2rq9 h GLU 76 Ca -0.41 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 58.89 2rq9 h GLU 76 Cb 1.20 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 2rq9 h GLU 76 CO 0.49 0.00 0.39 0.93 -0.73 0.00 0.00 179.01 180.09 2rq9 h GLU 77 N 0.00 0.50 0.00 1.92 5.08 -1.96 0.59 114.58 120.71 2rq9 h GLU 77 Ca 0.70 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 59.03 2rq9 h GLU 77 Cb 2.84 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 31.98 2rq9 h GLU 77 CO -0.01 0.33 -0.01 0.00 -1.00 0.00 0.00 179.01 178.32 2rq9 s LEU 79 N -6.21 4.09 0.34 0.00 2.96 0.21 -3.90 118.68 116.17 2rq9 s LEU 79 Ca 0.03 0.90 0.09 0.00 -0.22 0.00 0.00 54.13 54.94 2rq9 s LEU 79 Cb 0.08 -3.03 -0.06 0.00 0.50 0.00 0.00 46.19 43.68 2rq9 s LEU 79 CO 0.59 -0.42 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.81 2rq9 s PHE 80 N 2.53 2.50 -0.21 5.38 0.40 -0.66 -1.99 117.98 125.93 2rq9 s PHE 80 Ca 0.31 -0.46 -0.08 0.00 -0.60 0.00 0.00 56.93 56.11 2rq9 s PHE 80 Cb -0.16 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 2rq9 s PHE 80 CO 0.09 0.51 0.08 -0.51 0.70 0.00 0.00 175.22 176.09 2rq9 s LEU 81 N -3.68 3.75 0.09 -0.37 2.01 0.39 -1.43 118.68 119.44 2rq9 s LEU 81 Ca 0.34 -0.00 0.05 0.00 0.01 0.00 0.00 54.13 54.52 2rq9 s LEU 81 Cb 0.01 -1.98 -0.04 0.00 0.01 0.00 0.00 46.19 44.19 2rq9 s LEU 81 CO 0.18 0.09 -0.00 -0.70 1.01 0.00 0.00 176.35 176.93 2rq9 s GLU 82 N 0.88 2.55 0.16 1.70 -6.30 -0.74 -0.96 118.70 115.99 2rq9 s GLU 82 Ca 0.04 -0.84 -0.11 0.00 -2.50 0.00 0.00 54.97 51.57 2rq9 s GLU 82 Cb -0.14 -2.54 -0.00 0.00 0.00 0.00 0.00 34.13 31.45 2rq9 s GLU 82 CO 0.03 0.54 0.32 0.50 0.02 0.00 0.00 175.26 176.66 2rq9 s ARG 83 N -2.31 1.16 -0.49 4.30 3.52 -1.21 -4.71 118.95 119.21 2rq9 s ARG 83 Ca 0.26 -1.09 -0.18 0.00 -0.13 0.00 0.00 55.73 54.59 2rq9 s ARG 83 Cb -0.12 0.40 0.06 0.00 -1.56 0.00 0.00 34.95 33.73 2rq9 s ARG 83 CO 0.18 -0.43 0.54 -1.17 -0.81 0.00 0.00 175.30 173.61 2rq9 s LEU 84 N -2.94 5.16 0.30 -0.88 1.98 -1.26 -2.89 118.68 118.15 2rq9 s LEU 84 Ca 0.14 -1.01 0.04 0.00 -2.89 0.00 0.00 54.13 50.40 2rq9 s LEU 84 Cb 0.03 -2.36 -0.02 0.00 0.66 0.00 0.00 46.19 44.49 2rq9 s LEU 84 CO -0.02 -0.79 0.45 -1.61 -1.89 0.00 0.00 176.35 172.50 2rq9 s GLU 85 N 2.28 3.36 1.31 1.98 0.41 0.09 -5.01 118.70 123.11 2rq9 s GLU 85 Ca 0.11 -0.68 -0.22 0.00 -0.41 0.00 0.00 54.97 53.78 2rq9 s GLU 85 Cb -0.21 -2.79 0.34 0.00 -1.78 0.00 0.00 34.13 29.69 2rq9 s GLU 85 CO 0.10 0.23 0.76 0.39 -0.49 0.00 0.00 175.26 176.26 2rq9 n GLU 86 N -1.60 -4.45 -1.21 1.61 1.02 -1.26 -2.44 120.64 112.31 2rq9 n GLU 86 Ca -0.05 -1.27 -0.07 0.00 -0.02 0.00 0.00 57.16 55.74 2rq9 n GLU 86 Cb 0.57 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 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 -5.33 -5.45 -3.45 1.62 4.13 -1.26 -2.43 115.26 103.10 2rq9 n ASN 87 Ca 0.12 0.18 -0.21 0.00 1.68 0.00 0.00 54.58 56.35 2rq9 n ASN 87 Cb 0.53 -3.57 0.06 0.00 -1.54 0.00 0.00 39.78 35.25 2rq9 n ASN 87 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2rq9 n HIS 88 N -2.26 -2.21 -4.09 3.10 -0.00 -1.22 -5.01 115.22 103.52 2rq9 n HIS 88 Ca -0.07 0.75 -0.10 0.00 0.46 0.00 0.00 57.72 58.76 2rq9 n HIS 88 Cb 0.50 -4.05 -0.10 0.00 -0.12 0.00 0.00 29.99 26.21 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 -3.44 0.62 0.20 1.57 2.02 -1.02 -4.95 117.35 112.35 2rq9 s TYR 89 Ca 0.37 -0.82 0.08 0.00 -0.37 0.00 0.00 57.07 56.33 2rq9 s TYR 89 Cb -0.08 -0.40 -0.04 0.00 -0.40 0.00 0.00 41.96 41.04 2rq9 s TYR 89 CO 0.78 -0.22 -0.03 -0.80 -1.57 0.00 0.00 175.55 173.72 2rq9 s ASN 90 N -2.46 4.56 0.32 2.29 -0.87 0.16 -0.73 114.94 118.21 2rq9 s ASN 90 Ca 0.01 -0.52 0.03 0.00 -1.57 0.00 0.00 52.86 50.82 2rq9 s ASN 90 Cb 0.01 -0.88 -0.06 0.00 -0.02 0.00 0.00 41.25 40.29 2rq9 s ASN 90 CO -0.05 0.07 0.07 0.42 -2.57 0.00 0.00 177.10 175.04 2rq9 s THR 91 N -1.88 1.04 -0.14 1.60 -4.23 -1.14 0.13 115.64 111.02 2rq9 s THR 91 Ca 0.28 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.70 2rq9 s THR 91 Cb -0.08 -2.74 0.05 0.00 1.34 0.00 0.00 72.50 71.07 2rq9 s THR 91 CO 0.18 0.00 0.34 -0.31 -0.54 0.00 0.00 174.62 174.29 2rq9 s TYR 92 N -3.37 -0.45 0.05 3.99 2.02 -1.25 -3.34 117.35 115.00 2rq9 s TYR 92 Ca 0.36 1.02 0.05 0.00 -0.37 0.00 0.00 57.07 58.12 2rq9 s TYR 92 Cb 0.08 0.16 -0.02 0.00 -0.40 0.00 0.00 41.96 41.78 2rq9 s TYR 92 CO 0.15 -0.26 -0.13 0.42 -1.57 0.00 0.00 175.55 174.16 2rq9 s ILE 93 N 0.97 1.01 0.27 2.71 1.01 -0.13 -2.65 121.20 124.38 2rq9 s ILE 93 Ca -0.06 -1.11 -0.29 0.00 0.00 0.00 0.00 60.65 59.18 2rq9 s ILE 93 Cb -0.07 -0.96 -0.09 0.00 0.01 0.00 0.00 42.46 41.35 2rq9 s ILE 93 CO -0.07 -0.14 1.19 -0.55 0.00 0.00 0.00 174.94 175.37 2rq9 s SER 94 N -1.41 7.06 -0.05 3.58 0.15 -1.24 0.15 113.70 121.94 2rq9 s SER 94 Ca -0.01 2.39 -0.15 0.00 0.70 0.00 0.00 55.95 58.88 2rq9 s SER 94 Cb -0.09 -2.63 -0.10 0.00 -1.71 0.00 0.00 66.02 61.50 2rq9 s SER 94 CO 0.02 -0.33 0.62 0.50 1.20 0.00 0.00 173.24 175.24 2rq9 h LYS 95 N 4.12 -0.36 -1.50 5.44 3.64 -1.60 0.73 116.57 127.04 2rq9 h LYS 95 Ca -0.47 0.02 0.44 0.00 -1.27 0.00 0.00 60.65 59.37 2rq9 h LYS 95 Cb 1.22 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 33.06 2rq9 h LYS 95 CO 0.69 -0.13 1.22 -0.22 -2.27 0.00 0.00 179.45 178.74 2rq9 h LYS 96 N -1.05 0.00 0.00 1.90 3.64 -1.80 -3.21 116.57 116.05 2rq9 h LYS 96 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2rq9 h LYS 96 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2rq9 h LYS 96 CO 0.06 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.96 2rq9 n HIS 97 N -3.77 0.00 0.00 1.91 8.25 -1.18 -4.91 115.22 115.52 2rq9 n HIS 97 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 2rq9 n HIS 97 Cb 1.68 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.79 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 -2.84 0.00 0.19 -1.41 0.00 0.25 -3.91 120.51 112.78 2rq9 n ALA 98 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 2rq9 n ALA 98 Cb 0.00 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.26 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 0.00 0.00 0.00 0.00 5.08 -1.85 1.48 114.58 119.29 2rq9 h GLU 99 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2rq9 h GLU 99 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2rq9 h GLU 99 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 2rq9 n LYS 100 N -3.59 0.07 -3.61 2.33 5.02 -1.25 -4.93 118.16 112.20 2rq9 n LYS 100 Ca 0.03 0.13 -0.25 0.00 -2.02 0.00 0.00 58.31 56.20 2rq9 n LYS 100 Cb 0.44 -1.60 0.02 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.73 -5.64 -4.44 4.39 4.13 0.51 -4.73 115.26 107.75 2rq9 n ASN 101 Ca 0.06 -0.84 -0.33 0.00 1.68 0.00 0.00 54.58 55.14 2rq9 n ASN 101 Cb 0.32 -3.26 -0.13 0.00 -1.54 0.00 0.00 39.78 35.16 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 2.85 0.09 3.10 0.51 -1.26 -4.58 118.94 116.38 2rq9 s TRP 102 Ca 0.28 -0.42 0.07 0.00 -2.12 0.00 0.00 56.10 53.92 2rq9 s TRP 102 Cb -0.10 -1.82 -0.04 0.00 -0.81 0.00 0.00 33.47 30.70 2rq9 s TRP 102 CO 0.85 -0.05 -0.12 -0.06 -0.51 0.00 0.00 176.95 177.06 2rq9 s PHE 103 N 0.04 2.69 0.22 -1.98 0.40 -1.26 -3.69 117.98 114.40 2rq9 s PHE 103 Ca -0.03 -0.18 0.23 0.00 -0.60 0.00 0.00 56.93 56.34 2rq9 s PHE 103 Cb -0.14 -1.43 0.97 0.00 0.51 0.00 0.00 43.02 42.93 2rq9 s PHE 103 CO 0.04 0.39 1.86 0.28 0.70 0.00 0.00 175.22 178.49 2rq9 h VAL 104 N 3.44 0.68 -0.63 -0.44 2.07 -1.84 -3.42 116.25 116.10 2rq9 h VAL 104 Ca -0.49 -1.10 -0.33 0.00 0.82 0.00 0.00 66.70 65.61 2rq9 h VAL 104 Cb 1.17 1.71 0.06 0.00 -1.52 0.00 0.00 31.29 32.71 2rq9 h VAL 104 CO 0.50 0.24 -0.34 0.61 0.02 0.00 0.00 177.57 178.60 2rq9 n GLY 105 N -0.05 -1.06 3.80 2.17 0.00 -1.26 -4.59 105.19 104.19 2rq9 n GLY 105 Ca -0.01 0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 1.76 3.73 0.00 0.99 1.43 -1.26 -2.96 118.68 122.38 2rq9 s LEU 106 Ca 0.31 -0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 53.08 2rq9 s LEU 106 Cb -0.41 -2.27 0.06 0.00 0.03 0.00 0.00 46.19 43.60 2rq9 s LEU 106 CO 0.29 -0.02 0.21 0.29 0.23 0.00 0.00 176.35 177.36 2rq9 n LYS 107 N -1.02 -1.62 0.00 1.70 5.02 0.54 -4.63 118.16 118.16 2rq9 n LYS 107 Ca -0.08 -0.35 0.10 0.00 -2.02 0.00 0.00 58.31 55.97 2rq9 n LYS 107 Cb 0.58 -0.34 -0.09 0.00 -0.02 0.00 0.00 35.03 35.16 2rq9 n LYS 107 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2rq9 n LYS 108 N -2.27 0.19 -0.52 1.97 4.81 -1.26 -4.06 118.16 117.02 2rq9 n LYS 108 Ca 0.03 -0.15 0.01 0.00 -0.87 0.00 0.00 58.31 57.33 2rq9 n LYS 108 Cb 0.12 -1.50 0.20 0.00 0.02 0.00 0.00 35.03 33.87 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 -1.27 3.54 -3.12 3.14 4.13 -1.26 -4.83 115.26 115.58 2rq9 n ASN 109 Ca 0.05 -2.56 -0.20 0.00 1.68 0.00 0.00 54.58 53.55 2rq9 n ASN 109 Cb 0.35 -0.62 0.07 0.00 -1.54 0.00 0.00 39.78 38.04 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 0.22 -0.31 3.14 7.41 0.00 -1.26 -5.01 105.19 109.37 2rq9 n GLY 110 Ca 0.18 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 0.77 0.16 1.61 0.01 -1.26 -4.29 113.70 107.31 2rq9 s SER 111 Ca 0.44 -1.04 -0.30 0.00 1.31 0.00 0.00 55.95 56.36 2rq9 s SER 111 Cb -0.19 0.16 -0.07 0.00 0.21 0.00 0.00 66.02 66.13 2rq9 s SER 111 CO 0.62 -0.56 1.10 0.00 0.41 0.00 0.00 173.24 174.81 2rq9 s LYS 113 N -0.23 3.55 0.15 0.00 2.20 -1.15 -4.60 119.74 119.66 2rq9 s LYS 113 Ca 0.50 -0.05 -0.25 0.00 -0.36 0.00 0.00 55.97 55.81 2rq9 s LYS 113 Cb -0.29 -3.86 -0.15 0.00 -1.51 0.00 0.00 37.83 32.02 2rq9 s LYS 113 CO 0.34 -0.86 0.50 0.54 -0.36 0.00 0.00 175.35 175.51 2rq9 n ARG 114 N 6.22 0.00 0.01 4.03 3.00 -1.26 -4.78 116.66 123.87 2rq9 n ARG 114 Ca -0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.85 57.72 2rq9 n ARG 114 Cb 0.48 -0.90 -0.05 0.00 0.00 0.00 0.00 32.46 31.99 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 1.05 -0.56 -2.27 -0.13 0.00 -0.84 0.54 103.07 100.86 2rq9 h GLY 115 Ca -0.26 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2rq9 h GLY 115 CO 0.49 -0.23 0.00 -1.55 0.00 0.00 0.00 176.54 175.26 2rq9 n PRO 116 N -5.42 0.75 -0.72 4.80 -0.04 -1.26 -2.33 135.00 130.77 2rq9 n PRO 116 Ca -0.04 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.43 2rq9 n PRO 116 Cb 0.34 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.84 0.00 -4.49 0.54 5.12 0.18 -5.10 116.66 113.74 2rq9 n ARG 117 Ca 0.00 -1.12 -0.26 0.00 -1.93 0.00 0.00 57.85 54.54 2rq9 n ARG 117 Cb 0.37 -0.32 -0.10 0.00 -1.16 0.00 0.00 32.46 31.25 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 0.00 2.23 0.24 0.55 -4.23 -0.98 -4.78 115.64 108.67 2rq9 s THR 118 Ca 0.07 -2.04 -0.13 0.00 -1.18 0.00 0.00 61.69 58.41 2rq9 s THR 118 Cb 0.08 -2.83 -0.00 0.00 1.34 0.00 0.00 72.50 71.09 2rq9 s THR 118 CO -0.04 -0.11 0.47 -1.00 -0.54 0.00 0.00 174.62 173.40 2rq9 s HIS 119 N -2.63 0.35 -0.12 3.99 3.76 -1.26 -4.90 115.29 114.47 2rq9 s HIS 119 Ca 0.35 -0.71 -0.20 0.00 -0.15 0.00 0.00 55.06 54.35 2rq9 s HIS 119 Cb 0.05 0.18 -0.04 0.00 1.11 0.00 0.00 32.58 33.88 2rq9 s HIS 119 CO 0.18 -0.97 0.57 -0.47 -0.85 0.00 0.00 174.74 173.20 2rq9 s TYR 120 N -4.01 3.50 0.00 1.40 5.04 -1.26 -3.99 117.35 118.03 2rq9 s TYR 120 Ca 0.22 0.99 0.00 0.00 -2.44 0.00 0.00 57.07 55.84 2rq9 s TYR 120 Cb -0.00 -2.68 0.00 0.00 0.35 0.00 0.00 41.96 39.63 2rq9 s TYR 120 CO 0.08 0.07 0.00 0.41 -1.34 0.00 0.00 175.55 174.77 2rq9 n GLY 121 N 3.35 1.67 3.47 8.97 0.00 -1.26 -5.10 105.19 116.30 2rq9 n GLY 121 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.66 2.97 0.64 1.61 -0.21 -1.26 -4.97 119.66 117.79 2rq9 s GLN 122 Ca 0.00 -0.63 0.33 0.00 0.02 0.00 0.00 55.36 55.08 2rq9 s GLN 122 Cb 0.00 -2.57 1.80 0.00 1.00 0.00 0.00 33.01 33.24 2rq9 s GLN 122 CO 0.00 0.46 2.01 -0.22 -2.12 0.00 0.00 175.29 175.42 2rq9 h LYS 123 N 5.90 0.00 0.43 2.91 1.63 -1.94 -0.48 116.57 125.01 2rq9 h LYS 123 Ca -0.39 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.39 2rq9 h LYS 123 Cb 1.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2rq9 h LYS 123 CO 0.54 0.00 -0.21 0.00 -3.45 0.00 0.00 179.45 176.33 2rq9 h ALA 124 N 1.53 -0.81 -0.81 5.00 0.00 -1.89 -3.06 119.26 119.22 2rq9 h ALA 124 Ca 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2rq9 h ALA 124 Cb 0.46 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2rq9 h ALA 124 CO 0.00 -0.76 0.53 -0.84 0.00 0.00 0.00 179.25 178.18 2rq9 h ILE 125 N -0.81 1.05 -1.70 0.00 3.07 -1.61 -3.35 117.51 114.15 2rq9 h ILE 125 Ca -0.06 -0.31 -0.50 0.00 1.55 0.00 0.00 64.86 65.55 2rq9 h ILE 125 Cb 0.45 0.07 0.01 0.00 -0.27 0.00 0.00 36.82 37.07 2rq9 h ILE 125 CO 0.10 0.16 1.60 0.18 -1.05 0.00 0.00 178.15 179.14 2rq9 n LEU 126 N -4.48 2.57 -4.53 0.16 4.77 -0.28 -4.28 117.00 110.92 2rq9 n LEU 126 Ca 0.12 -0.33 -0.28 0.00 -0.03 0.00 0.00 56.01 55.50 2rq9 n LEU 126 Cb 0.21 -1.58 -0.10 0.00 -2.33 0.00 0.00 43.42 39.62 2rq9 n LEU 126 CO 0.33 -1.35 -0.45 -0.36 -1.33 0.00 0.00 177.39 174.24 2rq9 s PHE 127 N 11.23 2.59 -0.11 -1.77 0.40 0.34 -3.97 117.98 126.69 2rq9 s PHE 127 Ca 0.99 -0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 57.08 2rq9 s PHE 127 Cb -0.22 -1.31 0.02 0.00 0.51 0.00 0.00 43.02 42.02 2rq9 s PHE 127 CO 0.29 0.46 -0.09 -1.17 0.70 0.00 0.00 175.22 175.41 2rq9 s LEU 128 N -2.53 1.28 -0.24 -0.37 2.96 -1.11 0.35 118.68 119.03 2rq9 s LEU 128 Ca 0.22 -0.32 -0.29 0.00 -0.22 0.00 0.00 54.13 53.52 2rq9 s LEU 128 Cb -0.10 -0.87 -0.01 0.00 0.50 0.00 0.00 46.19 45.72 2rq9 s LEU 128 CO 0.13 -0.10 1.32 -2.16 -1.32 0.00 0.00 176.35 174.22 2rq9 s PRO 129 N 1.57 4.02 -0.04 0.98 0.04 -1.25 -0.93 135.00 139.39 2rq9 s PRO 129 Ca 0.03 1.44 -0.10 0.00 0.04 0.00 0.00 61.00 62.41 2rq9 s PRO 129 Cb -0.13 -3.85 -0.05 0.00 0.04 0.00 0.00 34.50 30.51 2rq9 s PRO 129 CO -0.07 -0.98 0.28 -0.51 0.04 0.00 0.00 177.00 175.75 2rq9 s LEU 130 N 4.13 4.41 -0.02 -3.56 2.01 0.44 -4.79 118.68 121.30 2rq9 s LEU 130 Ca 0.57 0.68 -0.30 0.00 0.01 0.00 0.00 54.13 55.09 2rq9 s LEU 130 Cb -0.19 -2.44 -0.04 0.00 0.01 0.00 0.00 46.19 43.53 2rq9 s LEU 130 CO 0.21 0.33 1.21 -2.16 1.01 0.00 0.00 176.35 176.94 2rq9 s PRO 131 N -1.26 4.37 0.05 1.29 0.04 -1.26 0.93 135.00 139.16 2rq9 s PRO 131 Ca 0.22 1.71 0.03 0.00 0.04 0.00 0.00 61.00 62.99 2rq9 s PRO 131 Cb -0.14 -3.50 -0.03 0.00 0.04 0.00 0.00 34.50 30.87 2rq9 s PRO 131 CO 0.11 -0.40 -0.09 0.54 0.04 0.00 0.00 177.00 177.20 2rq9 s VAL 132 N 1.90 0.65 -0.28 -0.36 0.11 -1.12 -4.89 120.40 116.41 2rq9 s VAL 132 Ca 0.57 -1.15 -0.05 0.00 -2.93 0.00 0.00 61.98 58.42 2rq9 s VAL 132 Cb -0.26 -0.73 0.01 0.00 -1.53 0.00 0.00 36.38 33.87 2rq9 s VAL 132 CO 0.24 -0.37 0.19 -0.24 -3.33 0.00 0.00 175.10 171.59 2rq9 n SER 133 N 1.38 -6.75 -3.40 3.54 2.88 -1.26 -4.06 113.62 105.95 2rq9 n SER 133 Ca -0.22 0.86 -0.31 0.00 -1.33 0.00 0.00 58.87 57.87 2rq9 n SER 133 Cb 0.55 -4.45 0.29 0.00 -0.75 0.00 0.00 64.21 59.85 2rq9 n SER 133 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2rq9 s SER 134 N -1.68 -1.21 -0.21 -3.46 0.01 -1.26 -4.74 113.70 101.15 2rq9 s SER 134 Ca 0.08 0.86 -0.25 0.00 1.31 0.00 0.00 55.95 57.94 2rq9 s SER 134 Cb -0.02 -1.21 0.07 0.00 0.21 0.00 0.00 66.02 65.07 2rq9 s SER 134 CO 0.62 -5.46 0.68 1.51 0.41 0.00 0.00 173.24 171.00 2rq9 s ASP 135 N -3.13 -0.70 -0.06 2.44 -4.77 -1.26 -5.09 116.67 104.11 2rq9 s ASP 135 Ca 0.68 1.24 0.03 0.00 -3.30 0.00 0.00 52.55 51.20 2rq9 s ASP 135 Cb -0.13 1.22 -0.02 0.00 -1.09 0.00 0.00 42.92 42.89 2rq9 s ASP 135 CO 0.58 -0.31 -0.14 -0.22 0.70 0.00 0.00 175.17 175.78 2rq9 s LEU 136 N 0.04 2.74 -0.20 2.11 2.96 -1.26 -5.10 118.68 119.97 2rq9 s LEU 136 Ca -0.02 -0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 53.64 2rq9 s LEU 136 Cb -0.04 -1.56 0.09 0.00 0.50 0.00 0.00 46.19 45.18 2rq9 s LEU 136 CO 0.03 0.33 0.18 -1.61 -1.32 0.00 0.00 176.35 173.96 2rq9 s GLU 137 N -0.64 0.16 0.99 1.98 2.02 -1.26 -5.14 118.70 116.81 2rq9 s GLU 137 Ca 0.10 0.06 -0.13 0.00 0.02 0.00 0.00 54.97 55.02 2rq9 s GLU 137 Cb -0.11 -1.35 0.09 0.00 0.10 0.00 0.00 34.13 32.86 2rq9 s GLU 137 CO 0.01 -0.70 0.58 0.72 0.02 0.00 0.00 175.26 175.89 2rq9 n HIS 138 N 5.30 -0.87 -3.64 1.61 8.25 -1.26 -5.03 115.22 119.59 2rq9 n HIS 138 Ca -0.06 0.23 -0.03 0.00 -0.26 0.00 0.00 57.72 57.60 2rq9 n HIS 138 Cb 0.49 -1.80 -0.04 0.00 1.12 0.00 0.00 29.99 29.76 2rq9 n HIS 138 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2rq9 s HIS 139 N -2.43 -0.07 0.00 4.41 2.46 -1.26 -5.17 115.29 113.23 2rq9 s HIS 139 Ca 0.60 0.11 0.07 0.00 0.47 0.00 0.00 55.06 56.31 2rq9 s HIS 139 Cb -0.21 0.49 -0.02 0.00 -0.13 0.00 0.00 32.58 32.72 2rq9 s HIS 139 CO 0.65 -0.07 -0.21 -1.58 -2.47 0.00 0.00 174.74 171.06 2rq9 s HIS 140 N -1.15 1.88 0.10 3.88 2.46 -1.26 -5.03 115.29 116.17 2rq9 s HIS 140 Ca 0.08 -0.36 0.00 0.00 0.47 0.00 0.00 55.06 55.25 2rq9 s HIS 140 Cb -0.01 -1.18 0.00 0.00 -0.13 0.00 0.00 32.58 31.26 2rq9 s HIS 140 CO -0.07 0.01 0.00 0.72 -2.47 0.00 0.00 174.74 172.94 2rq9 n HIS 141 N 2.32 -0.48 -1.48 3.88 8.25 -1.26 -5.08 115.22 121.36 2rq9 n HIS 141 Ca -0.16 0.09 -0.33 0.00 -0.26 0.00 0.00 57.72 57.06 2rq9 n HIS 141 Cb 0.53 0.16 0.08 0.00 1.12 0.00 0.00 29.99 31.88 2rq9 n HIS 141 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2rq9 s HIS 142 N -1.63 2.38 0.00 4.41 -3.43 -1.26 -5.40 115.29 110.35 2rq9 s HIS 142 Ca 0.00 1.59 0.00 0.00 -0.80 0.00 0.00 55.06 55.85 2rq9 s HIS 142 Cb 0.00 -3.24 0.00 0.00 -1.43 0.00 0.00 32.58 27.91 2rq9 s HIS 142 CO 0.00 -2.04 0.00 -2.39 -2.00 0.00 0.00 174.74 168.31