#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rq9 n ASN 2 N 0.00 1.49 -4.56 6.12 3.02 -1.26 -4.86 115.26 115.20 2rq9 n ASN 2 Ca 0.00 1.13 -0.41 0.00 -0.03 0.00 0.00 54.58 55.28 2rq9 n ASN 2 Cb 0.00 -0.95 -0.08 0.00 -0.61 0.00 0.00 39.78 38.14 2rq9 n ASN 2 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2rq9 s TYR 3 N 3.30 3.20 -0.30 3.10 2.02 -1.26 -4.99 117.35 122.42 2rq9 s TYR 3 Ca 1.04 0.18 -0.10 0.00 -0.37 0.00 0.00 57.07 57.83 2rq9 s TYR 3 Cb -1.39 -2.82 0.18 0.00 -0.40 0.00 0.00 41.96 37.53 2rq9 s TYR 3 CO 0.77 -0.47 0.89 0.21 -1.57 0.00 0.00 175.55 175.38 2rq9 s LYS 4 N 2.27 0.33 -0.34 -0.62 2.20 -1.26 -5.12 119.74 117.21 2rq9 s LYS 4 Ca 0.17 0.64 -0.05 0.00 -0.36 0.00 0.00 55.97 56.37 2rq9 s LYS 4 Cb -0.16 0.36 0.19 0.00 -1.51 0.00 0.00 37.83 36.71 2rq9 s LYS 4 CO 0.12 -0.32 0.93 0.21 -0.36 0.00 0.00 175.35 175.94 2rq9 s LYS 5 N 2.84 0.34 0.60 4.03 2.20 -1.26 -5.16 119.74 123.33 2rq9 s LYS 5 Ca 0.05 -0.05 -0.15 0.00 -0.36 0.00 0.00 55.97 55.46 2rq9 s LYS 5 Cb -0.11 0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.23 2rq9 s LYS 5 CO -0.15 -0.51 1.05 -1.25 -0.36 0.00 0.00 175.35 174.13 2rq9 s PRO 6 N 2.11 3.34 0.02 4.03 0.04 -1.26 -4.61 135.00 138.67 2rq9 s PRO 6 Ca 0.16 1.14 -0.07 0.00 0.04 0.00 0.00 61.00 62.27 2rq9 s PRO 6 Cb 0.00 -2.04 -0.00 0.00 0.04 0.00 0.00 34.50 32.50 2rq9 s PRO 6 CO -0.15 -0.79 0.13 0.15 0.04 0.00 0.00 177.00 176.38 2rq9 s LYS 7 N -4.22 0.57 0.13 4.56 1.02 0.47 -3.96 119.74 118.30 2rq9 s LYS 7 Ca 0.62 -0.59 0.08 0.00 0.02 0.00 0.00 55.97 56.10 2rq9 s LYS 7 Cb -0.15 0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.35 2rq9 s LYS 7 CO 0.39 -0.14 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.05 2rq9 s LEU 8 N -1.83 2.94 -0.17 3.17 2.01 -1.04 -1.87 118.68 121.90 2rq9 s LEU 8 Ca -0.09 -0.48 -0.14 0.00 0.01 0.00 0.00 54.13 53.43 2rq9 s LEU 8 Cb -0.04 -1.72 -0.05 0.00 0.01 0.00 0.00 46.19 44.39 2rq9 s LEU 8 CO -0.02 0.16 0.31 -0.76 1.01 0.00 0.00 176.35 177.04 2rq9 s LEU 9 N -2.36 4.22 -0.27 1.79 2.01 -1.26 -0.82 118.68 121.99 2rq9 s LEU 9 Ca 0.21 0.50 -0.11 0.00 0.01 0.00 0.00 54.13 54.75 2rq9 s LEU 9 Cb -0.10 -2.39 -0.05 0.00 0.01 0.00 0.00 46.19 43.66 2rq9 s LEU 9 CO 0.13 0.07 0.17 -0.47 1.01 0.00 0.00 176.35 177.26 2rq9 s TYR 10 N 0.63 3.21 -1.01 0.29 5.04 0.10 -3.27 117.35 122.34 2rq9 s TYR 10 Ca 0.17 0.06 -0.03 0.00 -2.44 0.00 0.00 57.07 54.83 2rq9 s TYR 10 Cb -0.13 -2.36 0.29 0.00 0.35 0.00 0.00 41.96 40.11 2rq9 s TYR 10 CO 0.05 -0.17 1.26 0.00 -1.34 0.00 0.00 175.55 175.35 2rq9 n SER 12 N 1.54 0.22 -0.37 0.00 2.88 -1.25 0.22 113.62 116.85 2rq9 n SER 12 Ca 0.26 1.19 -0.05 0.00 -1.33 0.00 0.00 58.87 58.94 2rq9 n SER 12 Cb 0.35 -0.58 -0.02 0.00 -0.75 0.00 0.00 64.21 63.21 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 -4.51 -0.78 -0.02 -3.46 5.15 -1.14 -3.57 115.26 106.93 2rq9 n ASN 13 Ca 0.31 1.62 -0.02 0.00 -0.60 0.00 0.00 54.58 55.89 2rq9 n ASN 13 Cb 1.12 -0.29 -0.02 0.00 -0.53 0.00 0.00 39.78 40.06 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 -1.34 -0.10 0.16 8.20 0.00 0.21 -4.83 105.19 107.50 2rq9 n GLY 14 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 3.07 0.50 3.38 -0.02 0.00 0.59 -4.98 105.19 107.74 2rq9 n GLY 15 Ca -0.06 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.35 2.28 -0.06 1.61 3.76 -1.25 -4.62 115.29 115.66 2rq9 s HIS 16 Ca 0.00 -0.38 -0.11 0.00 -0.15 0.00 0.00 55.06 54.42 2rq9 s HIS 16 Cb 0.00 -1.23 -0.05 0.00 1.11 0.00 0.00 32.58 32.41 2rq9 s HIS 16 CO 0.00 0.33 0.28 -0.06 -0.85 0.00 0.00 174.74 174.44 2rq9 s PHE 17 N -1.07 3.66 -0.34 1.40 0.40 0.30 -2.84 117.98 119.50 2rq9 s PHE 17 Ca 0.14 0.77 -0.29 0.00 -0.60 0.00 0.00 56.93 56.94 2rq9 s PHE 17 Cb -0.10 -2.12 0.02 0.00 0.51 0.00 0.00 43.02 41.32 2rq9 s PHE 17 CO 0.06 0.68 1.14 -1.17 0.70 0.00 0.00 175.22 176.63 2rq9 s LEU 18 N -1.02 3.87 0.15 -0.37 2.96 -1.20 -2.11 118.68 120.95 2rq9 s LEU 18 Ca 0.19 0.98 0.08 0.00 -0.22 0.00 0.00 54.13 55.17 2rq9 s LEU 18 Cb -0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2rq9 s LEU 18 CO 0.09 -0.99 -0.18 0.00 -1.32 0.00 0.00 176.35 173.95 2rq9 s ARG 19 N 3.91 1.22 -0.14 1.98 1.70 -1.18 -4.61 118.95 121.83 2rq9 s ARG 19 Ca 0.48 -1.36 0.01 0.00 -0.47 0.00 0.00 55.73 54.39 2rq9 s ARG 19 Cb -0.12 -1.28 0.02 0.00 -0.57 0.00 0.00 34.95 33.00 2rq9 s ARG 19 CO 0.20 0.26 -0.15 0.42 -1.08 0.00 0.00 175.30 174.95 2rq9 s ILE 20 N -1.97 1.61 0.46 4.99 1.01 -1.26 -3.30 121.20 122.74 2rq9 s ILE 20 Ca 0.14 -0.67 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 2rq9 s ILE 20 Cb -0.06 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.87 2rq9 s ILE 20 CO 0.06 0.46 0.80 -0.76 0.00 0.00 0.00 174.94 175.51 2rq9 s LEU 21 N 1.31 3.68 0.00 2.97 1.43 0.14 -4.84 118.68 123.37 2rq9 s LEU 21 Ca 0.01 1.07 0.23 0.00 -1.03 0.00 0.00 54.13 54.41 2rq9 s LEU 21 Cb -0.13 -4.00 1.39 0.00 0.03 0.00 0.00 46.19 43.47 2rq9 s LEU 21 CO -0.08 -0.53 1.76 -0.81 0.23 0.00 0.00 176.35 176.93 2rq9 n PRO 22 N -1.87 0.75 0.00 1.29 -0.04 -1.26 -1.87 135.00 132.00 2rq9 n PRO 22 Ca 0.02 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.60 2rq9 n PRO 22 Cb 0.54 -1.48 0.10 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.98 2.89 -0.55 3.54 2.03 -1.26 -4.95 116.55 117.27 2rq9 n ASP 23 Ca 0.17 -1.95 0.00 0.00 0.52 0.00 0.00 54.79 53.53 2rq9 n ASP 23 Cb 0.08 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 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 1.35 0.81 3.23 0.27 0.00 -0.78 -5.02 105.19 105.04 2rq9 n GLY 24 Ca 0.14 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.79 1.48 -0.06 2.61 2.01 -1.24 -4.34 115.64 113.30 2rq9 s THR 25 Ca 0.00 -1.27 -0.01 0.00 0.31 0.00 0.00 61.69 60.72 2rq9 s THR 25 Cb 0.00 -1.33 0.03 0.00 0.01 0.00 0.00 72.50 71.21 2rq9 s THR 25 CO 0.00 0.02 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.26 2rq9 s VAL 26 N -0.98 0.38 0.13 3.82 1.01 -1.24 0.26 120.40 123.77 2rq9 s VAL 26 Ca 0.05 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 2rq9 s VAL 26 Cb -0.09 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 2rq9 s VAL 26 CO 0.02 0.24 0.21 1.51 0.00 0.00 0.00 175.10 177.08 2rq9 s ASP 27 N 1.66 0.12 0.08 3.32 -4.77 -1.21 -4.67 116.67 111.20 2rq9 s ASP 27 Ca 0.00 -0.82 -0.19 0.00 -3.30 0.00 0.00 52.55 48.24 2rq9 s ASP 27 Cb -0.13 0.37 -0.07 0.00 -1.09 0.00 0.00 42.92 42.01 2rq9 s ASP 27 CO -0.04 -0.80 0.57 -0.83 0.70 0.00 0.00 175.17 174.78 2rq9 s GLY 28 N -2.93 2.67 0.12 2.12 0.00 -1.26 -3.09 107.32 104.97 2rq9 s GLY 28 Ca 0.12 0.04 0.01 0.00 0.00 0.00 0.00 44.72 44.89 2rq9 s GLY 28 CO -0.05 0.46 -0.02 -1.08 0.00 0.00 0.00 173.10 172.42 2rq9 s THR 29 N -1.12 0.54 -0.31 0.90 -1.32 -0.90 -4.76 115.64 108.67 2rq9 s THR 29 Ca 0.29 -1.93 0.09 0.00 -1.21 0.00 0.00 61.69 58.93 2rq9 s THR 29 Cb -0.19 -1.88 0.46 0.00 -1.51 0.00 0.00 72.50 69.37 2rq9 s THR 29 CO 0.19 -0.68 1.16 0.54 -2.21 0.00 0.00 174.62 173.62 2rq9 n ARG 30 N -0.11 3.27 -3.30 7.08 1.74 -1.26 0.11 116.66 124.20 2rq9 n ARG 30 Ca -0.09 -4.12 -0.25 0.00 -0.77 0.00 0.00 57.85 52.62 2rq9 n ARG 30 Cb 0.62 -2.16 -0.08 0.00 -1.02 0.00 0.00 32.46 29.83 2rq9 n ARG 30 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2rq9 n ASP 31 N -0.63 1.36 -0.58 0.55 -0.08 -1.26 -4.94 116.55 110.97 2rq9 n ASP 31 Ca 0.37 -2.93 0.45 0.00 -1.51 0.00 0.00 54.79 51.18 2rq9 n ASP 31 Cb 0.89 -0.65 0.71 0.00 2.34 0.00 0.00 41.12 44.41 2rq9 n ASP 31 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2rq9 n ARG 32 N 1.33 -0.01 -0.35 -0.67 3.00 -1.26 0.19 116.66 118.89 2rq9 n ARG 32 Ca 0.24 1.03 0.24 0.00 -0.01 0.00 0.00 57.85 59.35 2rq9 n ARG 32 Cb 0.48 -2.27 0.49 0.00 0.00 0.00 0.00 32.46 31.16 2rq9 n ARG 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2rq9 h SER 33 N 0.00 0.50 -1.86 0.55 0.87 -2.01 -3.41 113.55 108.18 2rq9 h SER 33 Ca 0.84 0.13 -0.63 0.00 -1.23 0.00 0.00 61.79 60.91 2rq9 h SER 33 Cb 3.18 0.07 0.13 0.00 -0.44 0.00 0.00 62.40 65.34 2rq9 h SER 33 CO -0.14 -0.01 -0.48 -0.67 -0.53 0.00 0.00 176.83 175.01 2rq9 n ASP 34 N -4.82 -1.11 -0.05 6.23 2.03 0.51 -4.89 116.55 114.45 2rq9 n ASP 34 Ca 0.29 0.98 -0.01 0.00 0.52 0.00 0.00 54.79 56.58 2rq9 n ASP 34 Cb 0.95 -1.04 -0.14 0.00 -0.72 0.00 0.00 41.12 40.16 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 0.88 0.88 0.14 -0.67 6.02 -1.26 -4.30 117.38 119.06 2rq9 n GLN 35 Ca 0.13 -0.08 0.02 0.00 -0.01 0.00 0.00 57.00 57.06 2rq9 n GLN 35 Cb 0.35 -1.45 0.38 0.00 1.02 0.00 0.00 30.24 30.54 2rq9 n GLN 35 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2rq9 h HIS 36 N 0.00 0.18 -0.63 1.08 3.86 -1.91 -1.90 115.15 115.82 2rq9 h HIS 36 Ca -0.26 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 58.93 2rq9 h HIS 36 Cb 1.54 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 29.93 2rq9 h HIS 36 CO 0.00 0.37 0.42 -0.84 0.86 0.00 0.00 177.93 178.74 2rq9 h ILE 37 N 0.15 1.15 -0.36 2.45 3.07 -1.83 -3.36 117.51 118.79 2rq9 h ILE 37 Ca 0.03 -0.29 -0.38 0.00 1.55 0.00 0.00 64.86 65.77 2rq9 h ILE 37 Cb 0.46 0.23 -0.07 0.00 -0.27 0.00 0.00 36.82 37.18 2rq9 h ILE 37 CO 0.03 0.15 1.56 0.00 -1.05 0.00 0.00 178.15 178.84 2rq9 n GLN 38 N -4.44 0.28 -4.31 0.16 6.02 -0.72 -4.68 117.38 109.69 2rq9 n GLN 38 Ca 0.07 -0.13 -0.35 0.00 -0.01 0.00 0.00 57.00 56.58 2rq9 n GLN 38 Cb 0.05 -2.06 -0.09 0.00 1.02 0.00 0.00 30.24 29.16 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 7.93 3.66 -0.32 1.08 1.43 -0.78 -2.82 118.68 128.86 2rq9 s LEU 39 Ca 1.21 0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 54.37 2rq9 s LEU 39 Cb -0.77 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 43.57 2rq9 s LEU 39 CO 0.41 0.36 0.15 0.00 0.23 0.00 0.00 176.35 177.50 2rq9 s GLN 40 N -1.02 3.21 -0.03 1.70 -2.07 -0.19 0.18 119.66 121.44 2rq9 s GLN 40 Ca 0.15 -0.80 -0.17 0.00 -1.82 0.00 0.00 55.36 52.71 2rq9 s GLN 40 Cb -0.11 -3.56 -0.05 0.00 -1.09 0.00 0.00 33.01 28.19 2rq9 s GLN 40 CO 0.04 -0.47 0.47 -0.51 -1.32 0.00 0.00 175.29 173.50 2rq9 s LEU 41 N 1.58 4.41 0.14 2.60 1.02 -1.26 -2.87 118.68 124.30 2rq9 s LEU 41 Ca 0.04 0.97 0.03 0.00 0.02 0.00 0.00 54.13 55.19 2rq9 s LEU 41 Cb -0.17 -2.70 -0.04 0.00 0.02 0.00 0.00 46.19 43.29 2rq9 s LEU 41 CO 0.06 0.18 -0.07 -0.44 0.02 0.00 0.00 176.35 176.10 2rq9 s SER 42 N -0.40 1.51 -0.10 2.29 0.01 -0.05 -4.94 113.70 112.01 2rq9 s SER 42 Ca 0.26 -1.05 0.04 0.00 1.31 0.00 0.00 55.95 56.51 2rq9 s SER 42 Cb -0.17 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.11 2rq9 s SER 42 CO 0.13 -0.42 -0.23 0.00 0.41 0.00 0.00 173.24 173.13 2rq9 s ALA 43 N -3.47 2.14 -0.08 1.44 0.00 -1.26 0.05 121.76 120.57 2rq9 s ALA 43 Ca 0.17 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 2rq9 s ALA 43 Cb 0.04 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 2rq9 s ALA 43 CO -0.00 0.25 -0.14 0.39 0.00 0.00 0.00 175.76 176.26 2rq9 n GLU 44 N 3.59 0.22 -4.38 0.00 -0.58 -1.21 -5.00 120.64 113.28 2rq9 n GLU 44 Ca -0.19 0.10 -0.19 0.00 -0.42 0.00 0.00 57.16 56.45 2rq9 n GLU 44 Cb 0.53 -0.88 -0.10 0.00 -0.57 0.00 0.00 31.44 30.41 2rq9 n GLU 44 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2rq9 s SER 45 N -5.97 2.25 0.06 1.62 0.01 -1.26 -5.04 113.70 105.37 2rq9 s SER 45 Ca -0.14 -1.22 -0.30 0.00 1.31 0.00 0.00 55.95 55.60 2rq9 s SER 45 Cb 0.05 -0.07 -0.09 0.00 0.21 0.00 0.00 66.02 66.11 2rq9 s SER 45 CO 0.18 -0.45 1.95 0.54 0.41 0.00 0.00 173.24 175.87 2rq9 s VAL 46 N -3.25 2.88 -0.34 3.43 0.11 -1.26 -0.51 120.40 121.46 2rq9 s VAL 46 Ca 0.29 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 2rq9 s VAL 46 Cb 0.05 -3.00 0.00 0.00 -1.53 0.00 0.00 36.38 31.90 2rq9 s VAL 46 CO 0.10 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.48 2rq9 n GLY 47 N 4.48 0.48 2.95 6.54 0.00 -1.26 -5.03 105.19 113.35 2rq9 n GLY 47 Ca 0.19 -0.85 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.04 0.85 0.01 1.61 2.02 0.33 -3.51 118.70 116.98 2rq9 s GLU 48 Ca 0.00 -0.20 -0.01 0.00 0.02 0.00 0.00 54.97 54.78 2rq9 s GLU 48 Cb 0.00 -0.82 -0.01 0.00 0.10 0.00 0.00 34.13 33.40 2rq9 s GLU 48 CO 0.00 0.02 0.01 0.14 0.02 0.00 0.00 175.26 175.45 2rq9 s VAL 49 N 0.50 0.09 -0.10 2.63 -7.23 -0.12 -3.29 120.40 112.88 2rq9 s VAL 49 Ca -0.07 -0.73 0.02 0.00 -1.81 0.00 0.00 61.98 59.39 2rq9 s VAL 49 Cb -0.11 -0.26 -0.01 0.00 0.56 0.00 0.00 36.38 36.56 2rq9 s VAL 49 CO 0.00 -0.40 -0.17 -0.31 -0.31 0.00 0.00 175.10 173.91 2rq9 s TYR 50 N -1.22 2.69 -0.25 2.82 2.02 0.11 -2.39 117.35 121.12 2rq9 s TYR 50 Ca -0.13 -0.69 0.01 0.00 -0.37 0.00 0.00 57.07 55.88 2rq9 s TYR 50 Cb -0.08 -1.75 0.04 0.00 -0.40 0.00 0.00 41.96 39.77 2rq9 s TYR 50 CO -0.00 -0.21 -0.09 0.42 -1.57 0.00 0.00 175.55 174.09 2rq9 s ILE 51 N 0.14 2.50 0.07 2.71 1.01 -1.26 -0.88 121.20 125.49 2rq9 s ILE 51 Ca -0.09 -1.30 0.03 0.00 0.00 0.00 0.00 60.65 59.29 2rq9 s ILE 51 Cb -0.15 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 2rq9 s ILE 51 CO 0.06 0.12 -0.10 -0.75 0.00 0.00 0.00 174.94 174.27 2rq9 s LYS 52 N 1.22 0.73 0.18 2.79 2.20 -1.14 0.20 119.74 125.92 2rq9 s LYS 52 Ca -0.03 -0.99 -0.30 0.00 -0.36 0.00 0.00 55.97 54.29 2rq9 s LYS 52 Cb -0.18 -0.48 -0.08 0.00 -1.51 0.00 0.00 37.83 35.59 2rq9 s LYS 52 CO -0.06 0.08 0.98 -1.12 -0.36 0.00 0.00 175.35 174.88 2rq9 s SER 53 N -2.05 7.50 0.00 1.43 0.01 -0.46 -1.02 113.70 119.12 2rq9 s SER 53 Ca -0.01 1.93 0.26 0.00 1.31 0.00 0.00 55.95 59.44 2rq9 s SER 53 Cb -0.06 -2.60 0.63 0.00 0.21 0.00 0.00 66.02 64.19 2rq9 s SER 53 CO 0.00 -0.01 1.50 0.35 0.41 0.00 0.00 173.24 175.49 2rq9 n THR 54 N 2.11 0.00 0.00 1.44 -2.24 -1.13 -3.08 114.28 111.38 2rq9 n THR 54 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2rq9 n THR 54 Cb 0.48 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.51 0.00 0.10 -0.78 4.07 -1.26 -4.76 120.64 116.50 2rq9 n GLU 55 Ca 0.06 0.21 -0.04 0.00 -0.06 0.00 0.00 57.16 57.32 2rq9 n GLU 55 Cb 0.34 -0.64 -0.02 0.00 -0.06 0.00 0.00 31.44 31.05 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 -1.90 -3.49 112.91 115.18 2rq9 h THR 56 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 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 0.24 0.86 3.16 5.82 0.00 -1.18 -5.07 105.19 109.02 2rq9 n GLY 57 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 1.85 0.32 1.61 -0.21 -1.26 -4.92 119.66 117.06 2rq9 s GLN 58 Ca 0.00 -0.66 -0.26 0.00 0.02 0.00 0.00 55.36 54.45 2rq9 s GLN 58 Cb 0.00 -1.63 -0.10 0.00 1.00 0.00 0.00 33.01 32.28 2rq9 s GLN 58 CO 0.00 0.29 0.95 0.71 -2.12 0.00 0.00 175.29 175.12 2rq9 s TYR 59 N -0.07 3.69 -0.21 0.91 2.02 -1.15 -1.35 117.35 121.18 2rq9 s TYR 59 Ca -0.02 1.78 -0.29 0.00 -0.37 0.00 0.00 57.07 58.17 2rq9 s TYR 59 Cb -0.11 -2.94 -0.00 0.00 -0.40 0.00 0.00 41.96 38.51 2rq9 s TYR 59 CO 0.02 0.17 1.17 -1.17 -1.57 0.00 0.00 175.55 174.17 2rq9 s LEU 60 N -2.03 4.11 0.02 -1.29 2.96 0.53 -1.06 118.68 121.93 2rq9 s LEU 60 Ca 0.50 1.50 0.01 0.00 -0.22 0.00 0.00 54.13 55.92 2rq9 s LEU 60 Cb -0.19 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 2rq9 s LEU 60 CO 0.25 -0.76 -0.04 0.00 -1.32 0.00 0.00 176.35 174.47 2rq9 s ALA 61 N 3.46 0.28 -0.30 5.97 0.00 -0.24 -4.25 121.76 126.68 2rq9 s ALA 61 Ca 0.50 -0.54 -0.09 0.00 0.00 0.00 0.00 51.96 51.83 2rq9 s ALA 61 Cb -0.18 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 2rq9 s ALA 61 CO 0.12 -0.07 0.15 1.41 0.00 0.00 0.00 175.76 177.37 2rq9 s MET 62 N -1.18 3.40 0.24 0.00 1.75 -1.22 -0.12 119.30 122.16 2rq9 s MET 62 Ca -0.10 -0.67 -0.04 0.00 -1.25 0.00 0.00 55.69 53.62 2rq9 s MET 62 Cb -0.08 -3.55 0.06 0.00 2.84 0.00 0.00 34.83 34.10 2rq9 s MET 62 CO -0.00 -0.38 0.19 -0.25 -0.65 0.00 0.00 175.02 173.92 2rq9 n ASP 63 N 4.98 -1.57 0.10 1.11 8.00 -0.55 -4.89 116.55 123.73 2rq9 n ASP 63 Ca -0.14 -0.48 0.13 0.00 0.71 0.00 0.00 54.79 55.01 2rq9 n ASP 63 Cb 0.49 -0.18 0.30 0.00 -0.02 0.00 0.00 41.12 41.71 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 -1.90 0.00 0.00 -3.53 1.35 -1.99 -3.08 112.91 103.76 2rq9 h THR 64 Ca -0.07 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 2rq9 h THR 64 Cb 0.23 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 2rq9 h THR 64 CO 0.05 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.79 2rq9 n ASP 65 N -2.29 0.00 0.00 5.36 9.92 -1.26 -4.87 116.55 123.42 2rq9 n ASP 65 Ca 0.05 0.30 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 2rq9 n ASP 65 Cb 0.44 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 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 1.12 2.08 3.84 0.44 0.00 -1.16 -4.64 105.19 106.88 2rq9 n GLY 66 Ca 0.08 0.00 -0.32 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 3.46 -0.01 0.99 2.01 -1.26 -0.42 118.68 123.45 2rq9 s LEU 67 Ca 0.00 1.56 -0.10 0.00 0.01 0.00 0.00 54.13 55.60 2rq9 s LEU 67 Cb 0.00 -4.50 -0.05 0.00 0.01 0.00 0.00 46.19 41.65 2rq9 s LEU 67 CO 0.00 -0.81 0.32 -0.76 1.01 0.00 0.00 176.35 176.11 2rq9 s LEU 68 N -4.56 4.41 0.05 1.79 1.43 -1.26 -1.49 118.68 119.05 2rq9 s LEU 68 Ca 0.58 0.73 -0.16 0.00 -1.03 0.00 0.00 54.13 54.25 2rq9 s LEU 68 Cb -0.11 -2.59 0.03 0.00 0.03 0.00 0.00 46.19 43.55 2rq9 s LEU 68 CO 0.40 0.29 0.36 -0.72 0.23 0.00 0.00 176.35 176.92 2rq9 s TYR 69 N -1.19 -0.19 -0.11 0.29 -0.85 0.83 -3.64 117.35 112.48 2rq9 s TYR 69 Ca 0.25 0.09 -0.22 0.00 -0.52 0.00 0.00 57.07 56.67 2rq9 s TYR 69 Cb -0.14 0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.33 2rq9 s TYR 69 CO 0.13 -0.55 0.64 0.20 -1.52 0.00 0.00 175.55 174.46 2rq9 s GLY 70 N -2.07 2.42 0.02 5.49 0.00 -1.26 -1.08 107.32 110.84 2rq9 s GLY 70 Ca -0.05 -0.03 -0.16 0.00 0.00 0.00 0.00 44.72 44.48 2rq9 s GLY 70 CO -0.03 1.14 0.46 -0.45 0.00 0.00 0.00 173.10 174.22 2rq9 s SER 71 N 0.87 6.89 0.28 1.64 0.15 -0.22 -4.80 113.70 118.52 2rq9 s SER 71 Ca 0.33 1.06 -0.02 0.00 0.70 0.00 0.00 55.95 58.02 2rq9 s SER 71 Cb -0.17 -2.29 0.41 0.00 -1.71 0.00 0.00 66.02 62.26 2rq9 s SER 71 CO 0.14 0.31 1.88 -0.61 1.20 0.00 0.00 173.24 176.16 2rq9 h GLN 72 N 4.65 0.95 -5.86 5.44 4.15 -1.91 -3.04 115.11 119.48 2rq9 h GLN 72 Ca -0.51 -0.14 -0.53 0.00 0.77 0.00 0.00 58.65 58.25 2rq9 h GLN 72 Cb 1.22 -0.17 -0.14 0.00 0.21 0.00 0.00 27.48 28.59 2rq9 h GLN 72 CO 0.62 0.75 -0.74 0.95 -1.93 0.00 0.00 178.83 178.48 2rq9 s THR 73 N -5.50 2.08 -0.39 2.39 -4.23 -1.26 -4.90 115.64 103.83 2rq9 s THR 73 Ca -0.11 -2.30 -0.29 0.00 -1.18 0.00 0.00 61.69 57.82 2rq9 s THR 73 Cb 0.16 -2.18 0.01 0.00 1.34 0.00 0.00 72.50 71.83 2rq9 s THR 73 CO 0.80 -0.49 1.40 -2.16 -0.54 0.00 0.00 174.62 173.63 2rq9 s PRO 74 N -3.59 3.64 0.20 3.99 0.04 -1.26 -4.83 135.00 133.20 2rq9 s PRO 74 Ca 0.26 1.02 0.10 0.00 0.04 0.00 0.00 61.00 62.41 2rq9 s PRO 74 Cb -0.02 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 2rq9 s PRO 74 CO 0.11 -1.48 -0.19 -0.80 0.04 0.00 0.00 177.00 174.68 2rq9 s ASN 75 N 3.74 2.97 0.61 6.66 0.01 -1.26 -5.00 114.94 122.67 2rq9 s ASN 75 Ca 0.61 -0.94 0.28 0.00 -0.71 0.00 0.00 52.86 52.10 2rq9 s ASN 75 Cb -0.15 -0.20 1.40 0.00 0.41 0.00 0.00 41.25 42.72 2rq9 s ASN 75 CO 0.31 -0.03 1.81 -0.33 -1.51 0.00 0.00 177.10 177.35 2rq9 h GLU 76 N 2.87 0.00 0.00 -0.60 5.08 -1.94 1.51 114.58 121.50 2rq9 h GLU 76 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2rq9 h GLU 76 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2rq9 h GLU 76 CO 0.55 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.95 2rq9 n GLU 77 N -3.48 0.04 0.01 2.33 1.02 -1.26 -0.97 120.64 118.33 2rq9 n GLU 77 Ca 0.08 0.31 0.11 0.00 -0.02 0.00 0.00 57.16 57.63 2rq9 n GLU 77 Cb 0.72 -1.58 -0.08 0.00 -0.02 0.00 0.00 31.44 30.47 2rq9 n GLU 77 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rq9 s LEU 79 N -3.87 4.15 0.29 0.00 2.96 -0.14 -4.38 118.68 117.70 2rq9 s LEU 79 Ca 0.01 1.12 0.07 0.00 -0.22 0.00 0.00 54.13 55.12 2rq9 s LEU 79 Cb 0.15 -3.20 -0.06 0.00 0.50 0.00 0.00 46.19 43.58 2rq9 s LEU 79 CO 0.86 -0.41 -0.08 -0.36 -1.32 0.00 0.00 176.35 175.04 2rq9 s PHE 80 N 2.27 2.04 -0.19 5.38 0.40 -1.01 -0.42 117.98 126.45 2rq9 s PHE 80 Ca 0.37 -0.64 -0.07 0.00 -0.60 0.00 0.00 56.93 55.99 2rq9 s PHE 80 Cb -0.16 -1.14 -0.04 0.00 0.51 0.00 0.00 43.02 42.19 2rq9 s PHE 80 CO 0.11 0.36 0.06 -0.51 0.70 0.00 0.00 175.22 175.95 2rq9 s LEU 81 N -3.47 3.73 -0.01 -0.37 2.01 0.35 -0.94 118.68 119.98 2rq9 s LEU 81 Ca 0.30 0.02 0.02 0.00 0.01 0.00 0.00 54.13 54.48 2rq9 s LEU 81 Cb 0.03 -1.95 -0.03 0.00 0.01 0.00 0.00 46.19 44.24 2rq9 s LEU 81 CO 0.13 0.13 -0.03 -0.70 1.01 0.00 0.00 176.35 176.89 2rq9 s GLU 82 N 0.61 2.70 0.15 1.70 -6.30 -1.23 -1.43 118.70 114.91 2rq9 s GLU 82 Ca 0.03 -0.64 -0.04 0.00 -2.50 0.00 0.00 54.97 51.82 2rq9 s GLU 82 Cb -0.13 -2.61 -0.03 0.00 0.00 0.00 0.00 34.13 31.36 2rq9 s GLU 82 CO 0.01 0.62 0.15 0.50 0.02 0.00 0.00 175.26 176.57 2rq9 s ARG 83 N -1.41 1.04 -0.36 4.30 3.52 -1.19 -4.77 118.95 120.08 2rq9 s ARG 83 Ca 0.18 -1.35 -0.15 0.00 -0.13 0.00 0.00 55.73 54.28 2rq9 s ARG 83 Cb -0.11 0.30 -0.00 0.00 -1.56 0.00 0.00 34.95 33.57 2rq9 s ARG 83 CO 0.08 -0.34 0.32 -1.17 -0.81 0.00 0.00 175.30 173.39 2rq9 s LEU 84 N -3.03 4.63 0.34 -0.88 1.98 -1.26 -2.96 118.68 117.50 2rq9 s LEU 84 Ca 0.23 -0.46 0.07 0.00 -2.89 0.00 0.00 54.13 51.08 2rq9 s LEU 84 Cb 0.06 -2.25 -0.02 0.00 0.66 0.00 0.00 46.19 44.64 2rq9 s LEU 84 CO 0.02 -0.35 0.40 -1.61 -1.89 0.00 0.00 176.35 172.91 2rq9 s GLU 85 N 1.88 2.93 1.31 1.98 0.41 -0.43 -5.02 118.70 121.76 2rq9 s GLU 85 Ca 0.09 -1.15 -0.21 0.00 -0.41 0.00 0.00 54.97 53.29 2rq9 s GLU 85 Cb -0.17 -2.67 0.33 0.00 -1.78 0.00 0.00 34.13 29.84 2rq9 s GLU 85 CO 0.11 0.06 1.04 -1.21 -0.49 0.00 0.00 175.26 174.77 2rq9 s GLU 86 N -4.10 -2.04 -1.02 1.61 2.02 -1.26 -2.81 118.70 111.10 2rq9 s GLU 86 Ca 0.44 -0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.39 2rq9 s GLU 86 Cb -0.08 -1.50 0.00 0.00 0.10 0.00 0.00 34.13 32.65 2rq9 s GLU 86 CO 0.29 -4.25 0.00 0.09 0.02 0.00 0.00 175.26 171.41 2rq9 n ASN 87 N -5.15 -5.50 -3.15 -0.19 3.02 -1.26 -2.89 115.26 100.14 2rq9 n ASN 87 Ca 0.14 0.24 -0.03 0.00 -0.03 0.00 0.00 54.58 54.89 2rq9 n ASN 87 Cb 0.60 -3.85 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 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 -2.27 -2.89 -4.04 3.10 -0.00 -1.23 -5.04 115.22 102.85 2rq9 n HIS 88 Ca -0.10 1.11 -0.09 0.00 -0.00 0.00 0.00 57.72 58.64 2rq9 n HIS 88 Cb 0.54 -3.94 -0.08 0.00 -0.00 0.00 0.00 29.99 26.51 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 -2.98 0.59 0.16 1.57 2.02 -1.12 -4.89 117.35 112.69 2rq9 s TYR 89 Ca 0.01 -0.96 0.10 0.00 -0.37 0.00 0.00 57.07 55.85 2rq9 s TYR 89 Cb -0.00 -0.25 -0.04 0.00 -0.40 0.00 0.00 41.96 41.27 2rq9 s TYR 89 CO 0.77 -0.62 -0.22 -0.80 -1.57 0.00 0.00 175.55 173.11 2rq9 s ASN 90 N -2.99 3.04 0.21 2.29 -0.87 0.50 -1.32 114.94 115.80 2rq9 s ASN 90 Ca 0.19 -0.82 0.05 0.00 -1.57 0.00 0.00 52.86 50.71 2rq9 s ASN 90 Cb 0.05 -0.20 -0.05 0.00 -0.02 0.00 0.00 41.25 41.03 2rq9 s ASN 90 CO -0.00 0.07 -0.05 0.42 -2.57 0.00 0.00 177.10 174.97 2rq9 s THR 91 N -1.63 1.23 -0.10 1.60 -4.23 -1.16 0.19 115.64 111.54 2rq9 s THR 91 Ca 0.16 -2.07 -0.06 0.00 -1.18 0.00 0.00 61.69 58.53 2rq9 s THR 91 Cb -0.08 -2.20 0.04 0.00 1.34 0.00 0.00 72.50 71.60 2rq9 s THR 91 CO 0.07 -0.46 0.25 -0.31 -0.54 0.00 0.00 174.62 173.63 2rq9 s TYR 92 N -3.29 -0.31 -0.02 3.99 2.02 -1.25 -3.17 117.35 115.32 2rq9 s TYR 92 Ca 0.25 0.74 0.02 0.00 -0.37 0.00 0.00 57.07 57.71 2rq9 s TYR 92 Cb 0.04 0.07 0.00 0.00 -0.40 0.00 0.00 41.96 41.67 2rq9 s TYR 92 CO 0.07 -0.20 -0.07 0.42 -1.57 0.00 0.00 175.55 174.20 2rq9 s ILE 93 N 0.84 0.60 0.32 2.71 1.01 -0.52 -3.14 121.20 123.02 2rq9 s ILE 93 Ca -0.06 -0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 2rq9 s ILE 93 Cb -0.07 -0.53 -0.10 0.00 0.01 0.00 0.00 42.46 41.76 2rq9 s ILE 93 CO -0.05 0.19 1.41 -0.55 0.00 0.00 0.00 174.94 175.94 2rq9 s SER 94 N 0.12 6.60 0.00 3.58 0.15 -1.25 0.13 113.70 123.03 2rq9 s SER 94 Ca -0.01 2.79 0.00 0.00 0.70 0.00 0.00 55.95 59.43 2rq9 s SER 94 Cb -0.06 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2rq9 s SER 94 CO -0.00 -0.70 0.76 1.17 1.20 0.00 0.00 173.24 175.67 2rq9 n LYS 95 N 1.27 0.00 -0.36 5.44 4.81 0.44 0.92 118.16 130.68 2rq9 n LYS 95 Ca 0.03 0.50 0.37 0.00 -0.87 0.00 0.00 58.31 58.34 2rq9 n LYS 95 Cb 0.40 -1.38 0.74 0.00 0.02 0.00 0.00 35.03 34.82 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 -1.84 1.64 1.57 -1.79 0.35 116.57 116.50 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 -0.74 0.72 -0.57 0.00 0.00 179.45 178.86 2rq9 n HIS 97 N -4.02 3.39 -0.03 -1.35 8.25 -1.10 -4.74 115.22 115.63 2rq9 n HIS 97 Ca 0.28 -3.51 -0.16 0.00 -0.26 0.00 0.00 57.72 54.07 2rq9 n HIS 97 Cb 1.38 -0.29 -0.14 0.00 1.12 0.00 0.00 29.99 32.06 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 -0.32 1.19 0.27 -1.41 0.00 0.26 -3.94 120.51 116.56 2rq9 n ALA 98 Ca 0.33 -0.76 0.15 0.00 0.00 0.00 0.00 53.44 53.17 2rq9 n ALA 98 Cb 0.56 -0.64 0.50 0.00 0.00 0.00 0.00 19.45 19.86 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 0.04 0.00 0.00 0.00 5.08 -1.82 -2.26 114.58 115.61 2rq9 h GLU 99 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2rq9 h GLU 99 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 2rq9 h GLU 99 CO 0.06 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.70 2rq9 n LYS 100 N -3.03 0.53 -3.67 2.33 5.02 -1.25 -4.91 118.16 113.16 2rq9 n LYS 100 Ca 0.02 0.02 -0.27 0.00 -2.02 0.00 0.00 58.31 56.06 2rq9 n LYS 100 Cb 0.38 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.91 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 -1.20 -5.42 -4.44 4.39 3.02 -0.85 -4.79 115.26 105.97 2rq9 n ASN 101 Ca 0.15 -0.90 -0.33 0.00 -0.03 0.00 0.00 54.58 53.47 2rq9 n ASN 101 Cb 0.18 -2.98 -0.13 0.00 -0.61 0.00 0.00 39.78 36.24 2rq9 n ASN 101 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2rq9 s TRP 102 N -3.28 2.86 0.09 3.10 0.51 -1.26 -4.67 118.94 116.30 2rq9 s TRP 102 Ca 0.28 -0.42 0.07 0.00 -2.12 0.00 0.00 56.10 53.91 2rq9 s TRP 102 Cb -0.11 -1.82 -0.04 0.00 -0.81 0.00 0.00 33.47 30.68 2rq9 s TRP 102 CO 0.87 -0.06 -0.14 -0.06 -0.51 0.00 0.00 176.95 177.06 2rq9 s PHE 103 N 0.07 2.66 -0.03 -1.98 0.40 -1.24 -3.95 117.98 113.91 2rq9 s PHE 103 Ca -0.04 -0.20 0.27 0.00 -0.60 0.00 0.00 56.93 56.36 2rq9 s PHE 103 Cb -0.14 -1.42 0.91 0.00 0.51 0.00 0.00 43.02 42.87 2rq9 s PHE 103 CO 0.04 0.39 1.81 0.28 0.70 0.00 0.00 175.22 178.44 2rq9 h VAL 104 N 3.48 0.23 -0.78 -0.44 2.07 -1.87 -3.40 116.25 115.54 2rq9 h VAL 104 Ca -0.49 -0.93 -0.33 0.00 0.82 0.00 0.00 66.70 65.77 2rq9 h VAL 104 Cb 1.17 1.77 0.08 0.00 -1.52 0.00 0.00 31.29 32.78 2rq9 h VAL 104 CO 0.50 0.10 -0.44 0.61 0.02 0.00 0.00 177.57 178.36 2rq9 n GLY 105 N 0.40 -1.28 3.74 2.17 0.00 -1.26 -4.56 105.19 104.39 2rq9 n GLY 105 Ca 0.01 0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 2.07 3.67 0.00 0.99 1.43 -1.25 -2.59 118.68 123.01 2rq9 s LEU 106 Ca 0.31 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2rq9 s LEU 106 Cb -0.37 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.54 2rq9 s LEU 106 CO 0.31 0.20 0.00 0.29 0.23 0.00 0.00 176.35 177.39 2rq9 n LYS 107 N 0.71 -0.84 0.00 1.70 5.02 0.62 -4.62 118.16 120.76 2rq9 n LYS 107 Ca -0.11 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.26 2rq9 n LYS 107 Cb 0.52 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.44 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 -1.38 1.45 -0.61 1.97 4.81 -1.26 -4.16 118.16 118.97 2rq9 n LYS 108 Ca 0.00 -0.05 -0.03 0.00 -0.87 0.00 0.00 58.31 57.37 2rq9 n LYS 108 Cb 0.00 -1.30 0.19 0.00 0.02 0.00 0.00 35.03 33.95 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 -1.33 3.70 -3.05 3.14 3.02 -1.26 -4.67 115.26 114.81 2rq9 n ASN 109 Ca 0.03 -2.70 -0.19 0.00 -0.03 0.00 0.00 54.58 51.69 2rq9 n ASN 109 Cb 0.27 -0.65 0.07 0.00 -0.61 0.00 0.00 39.78 38.86 2rq9 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rq9 n GLY 110 N 0.06 -0.28 3.19 7.41 0.00 -1.26 -5.01 105.19 109.30 2rq9 n GLY 110 Ca 0.24 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.39 0.69 0.16 1.61 0.01 -1.26 -4.03 113.70 107.50 2rq9 s SER 111 Ca 0.42 -1.19 -0.30 0.00 1.31 0.00 0.00 55.95 56.19 2rq9 s SER 111 Cb -0.18 0.22 -0.07 0.00 0.21 0.00 0.00 66.02 66.19 2rq9 s SER 111 CO 0.60 -0.66 1.10 0.00 0.41 0.00 0.00 173.24 174.69 2rq9 s LYS 113 N -0.21 3.53 0.00 0.00 2.20 -1.07 -4.49 119.74 119.71 2rq9 s LYS 113 Ca 0.50 -0.11 -0.33 0.00 -0.36 0.00 0.00 55.97 55.67 2rq9 s LYS 113 Cb -0.29 -3.86 -0.17 0.00 -1.51 0.00 0.00 37.83 32.00 2rq9 s LYS 113 CO 0.34 -0.84 0.88 0.54 -0.36 0.00 0.00 175.35 175.91 2rq9 n ARG 114 N 6.12 0.00 -0.22 4.03 3.00 -1.26 -4.72 116.66 123.61 2rq9 n ARG 114 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.81 2rq9 n ARG 114 Cb 0.48 -1.24 0.05 0.00 0.00 0.00 0.00 32.46 31.76 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 2.46 0.30 0.23 -0.13 0.00 -0.96 1.54 103.07 106.51 2rq9 h GLY 115 Ca -0.42 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.20 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 -5.45 0.75 -2.22 4.80 -0.04 -1.26 -2.98 135.00 128.60 2rq9 n PRO 116 Ca 0.07 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.31 2rq9 n PRO 116 Cb 0.35 -1.12 0.02 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.62 3.35 -4.39 0.54 5.12 0.53 -5.04 116.66 116.16 2rq9 n ARG 117 Ca 0.04 -4.17 -0.19 0.00 -1.93 0.00 0.00 57.85 51.60 2rq9 n ARG 117 Cb 0.02 -2.19 -0.10 0.00 -1.16 0.00 0.00 32.46 29.03 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 -4.72 1.13 0.27 0.55 -4.23 -1.16 -4.53 115.64 102.95 2rq9 s THR 118 Ca 0.48 -2.03 -0.06 0.00 -1.18 0.00 0.00 61.69 58.89 2rq9 s THR 118 Cb 0.40 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.68 2rq9 s THR 118 CO -0.02 -0.17 0.39 -1.00 -0.54 0.00 0.00 174.62 173.27 2rq9 s HIS 119 N -3.35 0.82 -0.05 3.99 3.76 -1.26 -4.94 115.29 114.25 2rq9 s HIS 119 Ca 0.32 -1.09 -0.14 0.00 -0.15 0.00 0.00 55.06 54.00 2rq9 s HIS 119 Cb 0.07 -0.10 -0.05 0.00 1.11 0.00 0.00 32.58 33.60 2rq9 s HIS 119 CO 0.12 -0.95 0.36 -0.47 -0.85 0.00 0.00 174.74 172.95 2rq9 s TYR 120 N -3.72 3.64 0.00 1.40 5.04 -1.26 -4.02 117.35 118.43 2rq9 s TYR 120 Ca 0.29 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 55.78 2rq9 s TYR 120 Cb 0.01 -2.28 0.00 0.00 0.35 0.00 0.00 41.96 40.04 2rq9 s TYR 120 CO 0.14 0.53 0.00 0.41 -1.34 0.00 0.00 175.55 175.29 2rq9 n GLY 121 N 2.27 0.63 3.82 8.97 0.00 -1.26 -5.05 105.19 114.57 2rq9 n GLY 121 Ca -0.14 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.88 3.88 0.49 1.61 -0.21 -1.26 -4.94 119.66 118.34 2rq9 s GLN 122 Ca 0.00 0.14 0.29 0.00 0.02 0.00 0.00 55.36 55.81 2rq9 s GLN 122 Cb 0.00 -3.28 1.56 0.00 1.00 0.00 0.00 33.01 32.29 2rq9 s GLN 122 CO 0.00 0.58 1.86 -0.22 -2.12 0.00 0.00 175.29 175.39 2rq9 h LYS 123 N 5.41 0.00 0.43 2.91 1.63 -1.94 -0.86 116.57 124.15 2rq9 h LYS 123 Ca -0.49 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.29 2rq9 h LYS 123 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2rq9 h LYS 123 CO 0.65 0.00 -0.20 0.00 -3.45 0.00 0.00 179.45 176.44 2rq9 h ALA 124 N 1.73 -0.68 -0.44 5.00 0.00 -1.91 -3.01 119.26 119.95 2rq9 h ALA 124 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2rq9 h ALA 124 Cb 0.24 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2rq9 h ALA 124 CO 0.00 -0.64 0.30 -0.84 0.00 0.00 0.00 179.25 178.07 2rq9 h ILE 125 N -0.95 1.01 -1.73 0.00 3.07 -1.64 -3.32 117.51 113.95 2rq9 h ILE 125 Ca -0.06 -0.15 -0.48 0.00 1.55 0.00 0.00 64.86 65.72 2rq9 h ILE 125 Cb 0.44 0.53 -0.00 0.00 -0.27 0.00 0.00 36.82 37.52 2rq9 h ILE 125 CO 0.10 0.08 1.56 -0.76 -1.05 0.00 0.00 178.15 178.08 2rq9 s LEU 126 N -9.39 3.39 -0.13 0.16 1.43 -0.40 -4.36 118.68 109.38 2rq9 s LEU 126 Ca -0.08 0.98 -0.03 0.00 -1.03 0.00 0.00 54.13 53.98 2rq9 s LEU 126 Cb 0.18 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 2rq9 s LEU 126 CO 0.73 -2.71 -0.04 -0.36 0.23 0.00 0.00 176.35 174.20 2rq9 s PHE 127 N 11.28 3.02 -0.20 0.29 0.08 0.49 -4.17 117.98 128.77 2rq9 s PHE 127 Ca 0.91 -0.19 -0.01 0.00 0.12 0.00 0.00 56.93 57.76 2rq9 s PHE 127 Cb -0.17 -1.89 0.01 0.00 -0.57 0.00 0.00 43.02 40.39 2rq9 s PHE 127 CO 0.26 0.08 -0.13 -1.17 -0.10 0.00 0.00 175.22 174.16 2rq9 s LEU 128 N 0.02 2.47 -0.10 -0.37 0.20 -0.68 0.19 118.68 120.41 2rq9 s LEU 128 Ca 0.00 -0.53 -0.30 0.00 0.69 0.00 0.00 54.13 54.00 2rq9 s LEU 128 Cb -0.13 -1.59 -0.03 0.00 -0.43 0.00 0.00 46.19 44.01 2rq9 s LEU 128 CO 0.03 -0.00 1.24 -2.16 -0.29 0.00 0.00 176.35 175.16 2rq9 s PRO 129 N 1.35 4.30 0.09 0.98 0.04 -1.25 0.03 135.00 140.53 2rq9 s PRO 129 Ca 0.05 1.69 0.04 0.00 0.04 0.00 0.00 61.00 62.81 2rq9 s PRO 129 Cb -0.14 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 2rq9 s PRO 129 CO -0.08 -0.57 0.07 -0.51 0.04 0.00 0.00 177.00 175.95 2rq9 s LEU 130 N 2.79 3.73 0.59 -3.56 1.43 -0.00 -4.91 118.68 118.74 2rq9 s LEU 130 Ca 0.56 -0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.44 2rq9 s LEU 130 Cb -0.24 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 2rq9 s LEU 130 CO 0.19 0.16 1.05 -2.16 0.23 0.00 0.00 176.35 175.82 2rq9 s PRO 131 N -2.48 3.38 0.20 1.29 0.04 -1.26 -2.49 135.00 133.67 2rq9 s PRO 131 Ca 0.29 1.16 -0.19 0.00 0.04 0.00 0.00 61.00 62.30 2rq9 s PRO 131 Cb -0.12 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.42 2rq9 s PRO 131 CO 0.21 -0.76 0.56 0.54 0.04 0.00 0.00 177.00 177.60 2rq9 s VAL 132 N -2.50 0.02 -0.17 -0.36 0.11 -1.25 -4.86 120.40 111.38 2rq9 s VAL 132 Ca 0.63 -0.62 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 2rq9 s VAL 132 Cb -0.15 -1.49 0.01 0.00 -1.53 0.00 0.00 36.38 33.22 2rq9 s VAL 132 CO 0.37 -0.08 0.03 -0.24 -3.33 0.00 0.00 175.10 171.85 2rq9 n SER 133 N -0.36 -6.66 -4.56 3.54 2.88 -1.26 -4.69 113.62 102.50 2rq9 n SER 133 Ca -0.11 1.06 -0.34 0.00 -1.33 0.00 0.00 58.87 58.15 2rq9 n SER 133 Cb 0.63 -3.82 -0.11 0.00 -0.75 0.00 0.00 64.21 60.15 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 -1.20 4.94 -0.30 -3.46 0.01 -1.26 -4.97 113.70 107.46 2rq9 s SER 134 Ca -0.03 -0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.08 2rq9 s SER 134 Cb 0.00 -1.65 0.18 0.00 0.21 0.00 0.00 66.02 64.77 2rq9 s SER 134 CO 0.47 0.24 0.99 1.51 0.41 0.00 0.00 173.24 176.87 2rq9 s ASP 135 N -0.07 -0.57 0.88 2.44 1.47 -1.26 -5.15 116.67 114.40 2rq9 s ASP 135 Ca 0.02 0.32 -0.17 0.00 1.18 0.00 0.00 52.55 53.90 2rq9 s ASP 135 Cb -0.13 1.46 -0.15 0.00 -0.34 0.00 0.00 42.92 43.77 2rq9 s ASP 135 CO 0.02 -0.11 -0.63 -0.11 0.68 0.00 0.00 175.17 175.03 2rq9 n LEU 136 N 5.43 -5.40 0.00 2.11 7.94 -1.26 -4.99 117.00 120.83 2rq9 n LEU 136 Ca -0.05 0.30 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 2rq9 n LEU 136 Cb 0.54 -0.79 0.00 0.00 0.53 0.00 0.00 43.42 43.70 2rq9 n LEU 136 CO -0.10 -5.72 0.00 -0.62 -1.11 0.00 0.00 177.39 169.84 2rq9 n GLU 137 N 2.21 0.00 -4.45 1.96 1.02 -1.26 -5.19 120.64 114.94 2rq9 n GLU 137 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.93 2rq9 n GLU 137 Cb 0.54 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.85 2rq9 n GLU 137 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2rq9 s HIS 138 N 0.00 1.93 0.32 -0.32 -3.43 -1.26 -5.16 115.29 107.36 2rq9 s HIS 138 Ca 0.00 -0.99 0.08 0.00 -0.80 0.00 0.00 55.06 53.35 2rq9 s HIS 138 Cb 0.00 -1.26 -0.04 0.00 -1.43 0.00 0.00 32.58 29.86 2rq9 s HIS 138 CO 0.00 -0.03 0.17 -3.38 -2.00 0.00 0.00 174.74 169.50 2rq9 s HIS 139 N -3.31 2.81 -0.31 0.38 -3.43 -1.26 -5.10 115.29 105.07 2rq9 s HIS 139 Ca 0.35 -0.30 -0.10 0.00 -0.80 0.00 0.00 55.06 54.21 2rq9 s HIS 139 Cb 0.08 -1.58 -0.01 0.00 -1.43 0.00 0.00 32.58 29.64 2rq9 s HIS 139 CO 0.15 0.37 0.17 -1.58 -2.00 0.00 0.00 174.74 171.84 2rq9 s HIS 140 N -2.34 3.18 1.17 0.38 5.04 -1.26 -5.08 115.29 116.39 2rq9 s HIS 140 Ca 0.37 -0.46 -0.15 0.00 -1.54 0.00 0.00 55.06 53.28 2rq9 s HIS 140 Cb -0.05 -2.37 0.28 0.00 0.04 0.00 0.00 32.58 30.48 2rq9 s HIS 140 CO 0.24 -0.42 1.04 -3.38 -2.34 0.00 0.00 174.74 169.88 2rq9 s HIS 141 N 1.64 1.12 0.35 3.88 -3.43 -1.26 -5.06 115.29 112.53 2rq9 s HIS 141 Ca 0.05 0.90 0.09 0.00 -0.80 0.00 0.00 55.06 55.30 2rq9 s HIS 141 Cb -0.17 -3.17 -0.06 0.00 -1.43 0.00 0.00 32.58 27.76 2rq9 s HIS 141 CO 0.07 -3.81 0.01 -1.01 -2.00 0.00 0.00 174.74 168.01 2rq9 s HIS 142 N -2.66 2.54 -0.81 0.38 3.76 -1.26 -5.35 115.29 111.89 2rq9 s HIS 142 Ca 0.68 -0.46 0.06 0.00 -0.15 0.00 0.00 55.06 55.20 2rq9 s HIS 142 Cb -0.19 -1.51 0.05 0.00 1.11 0.00 0.00 32.58 32.04 2rq9 s HIS 142 CO 0.60 0.47 0.70 1.58 -0.85 0.00 0.00 174.74 177.25