#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 -0.18 -0.15 7.83 -0.87 -1.26 -5.11 114.94 115.19 2rq9 s ASN 2 Ca 0.00 0.22 -0.31 0.00 -1.57 0.00 0.00 52.86 51.20 2rq9 s ASN 2 Cb 0.00 0.18 -0.09 0.00 -0.02 0.00 0.00 41.25 41.32 2rq9 s ASN 2 CO 0.00 -0.15 2.08 -1.22 -2.57 0.00 0.00 177.10 175.24 2rq9 n TYR 3 N 0.76 2.12 0.00 2.20 4.01 -1.25 -4.74 117.16 120.27 2rq9 n TYR 3 Ca -0.05 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 2rq9 n TYR 3 Cb 0.58 -2.70 0.00 0.00 -0.31 0.00 0.00 39.34 36.91 2rq9 n TYR 3 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2rq9 n LYS 4 N 7.87 0.00 0.00 -0.72 0.00 0.33 -4.88 118.16 120.76 2rq9 n LYS 4 Ca 0.28 0.01 0.00 0.00 0.00 0.00 0.00 58.31 58.60 2rq9 n LYS 4 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 35.03 35.24 2rq9 n LYS 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2rq9 n LYS 5 N -1.64 0.00 0.00 1.64 5.02 -1.26 -4.88 118.16 117.04 2rq9 n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2rq9 n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2rq9 n LYS 5 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2rq9 n PRO 6 N 0.00 0.64 -4.21 1.97 -0.04 -1.26 -4.46 135.00 127.63 2rq9 n PRO 6 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 2rq9 n PRO 6 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 2rq9 n PRO 6 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2rq9 s LYS 7 N -0.73 1.36 0.25 0.54 0.00 -1.17 -2.10 119.74 117.89 2rq9 s LYS 7 Ca 0.00 -1.70 0.09 0.00 0.00 0.00 0.00 55.97 54.35 2rq9 s LYS 7 Cb 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 37.83 38.09 2rq9 s LYS 7 CO 0.00 -0.47 0.05 -0.51 0.00 0.00 0.00 175.35 174.42 2rq9 s LEU 8 N -3.20 3.39 -0.41 2.77 2.01 0.16 -2.59 118.68 120.80 2rq9 s LEU 8 Ca 0.38 -0.50 -0.08 0.00 0.01 0.00 0.00 54.13 53.95 2rq9 s LEU 8 Cb 0.05 -1.93 0.08 0.00 0.01 0.00 0.00 46.19 44.40 2rq9 s LEU 8 CO 0.16 0.00 0.24 -0.76 1.01 0.00 0.00 176.35 177.00 2rq9 s LEU 9 N -3.62 5.12 0.67 1.79 1.43 -1.26 -0.58 118.68 122.22 2rq9 s LEU 9 Ca 0.31 -1.58 -0.08 0.00 -1.03 0.00 0.00 54.13 51.75 2rq9 s LEU 9 Cb -0.07 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.23 2rq9 s LEU 9 CO 0.21 -0.53 1.00 -0.47 0.23 0.00 0.00 176.35 176.79 2rq9 s TYR 10 N 1.37 3.17 -0.41 0.29 5.04 -0.81 -1.14 117.35 124.86 2rq9 s TYR 10 Ca 0.03 0.72 0.05 0.00 -2.44 0.00 0.00 57.07 55.43 2rq9 s TYR 10 Cb -0.23 -2.99 0.18 0.00 0.35 0.00 0.00 41.96 39.27 2rq9 s TYR 10 CO 0.01 -1.13 0.39 0.00 -1.34 0.00 0.00 175.55 173.48 2rq9 n SER 12 N 2.61 0.19 -0.20 0.00 3.41 -1.26 0.26 113.62 118.63 2rq9 n SER 12 Ca 0.28 1.02 -0.05 0.00 -0.26 0.00 0.00 58.87 59.86 2rq9 n SER 12 Cb 0.49 -0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 63.91 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 -4.43 -0.50 -0.06 4.04 5.15 -0.92 -3.49 115.26 115.06 2rq9 n ASN 13 Ca 0.22 1.28 -0.06 0.00 -0.60 0.00 0.00 54.58 55.43 2rq9 n ASN 13 Cb 0.76 -0.33 -0.09 0.00 -0.53 0.00 0.00 39.78 39.60 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 -1.12 -0.52 0.95 8.20 0.00 0.18 -4.90 105.19 107.98 2rq9 n GLY 14 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 2.35 -0.07 3.27 -0.02 0.00 0.74 -4.95 105.19 106.52 2rq9 n GLY 15 Ca -0.19 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.36 -0.10 -0.04 1.61 3.76 -1.26 -4.56 115.29 113.34 2rq9 s HIS 16 Ca 0.00 -0.16 -0.10 0.00 -0.15 0.00 0.00 55.06 54.65 2rq9 s HIS 16 Cb 0.00 0.14 -0.05 0.00 1.11 0.00 0.00 32.58 33.78 2rq9 s HIS 16 CO 0.00 -0.60 0.27 -0.06 -0.85 0.00 0.00 174.74 173.51 2rq9 s PHE 17 N -3.33 3.64 -0.46 1.40 0.08 -1.25 -2.39 117.98 115.67 2rq9 s PHE 17 Ca 0.00 0.71 -0.29 0.00 0.12 0.00 0.00 56.93 57.47 2rq9 s PHE 17 Cb 0.02 -2.08 0.02 0.00 -0.57 0.00 0.00 43.02 40.41 2rq9 s PHE 17 CO -0.08 0.67 1.20 -1.17 -0.10 0.00 0.00 175.22 175.74 2rq9 s LEU 18 N -1.27 3.63 0.18 -0.37 2.96 -0.29 -2.89 118.68 120.63 2rq9 s LEU 18 Ca 0.22 0.58 0.10 0.00 -0.22 0.00 0.00 54.13 54.80 2rq9 s LEU 18 Cb -0.14 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2rq9 s LEU 18 CO 0.11 -1.29 -0.15 0.00 -1.32 0.00 0.00 176.35 173.70 2rq9 s ARG 19 N 4.55 1.84 -0.23 1.98 1.70 -1.19 -4.61 118.95 123.00 2rq9 s ARG 19 Ca 0.51 -1.36 0.01 0.00 -0.47 0.00 0.00 55.73 54.42 2rq9 s ARG 19 Cb -0.09 -2.04 0.06 0.00 -0.57 0.00 0.00 34.95 32.31 2rq9 s ARG 19 CO 0.31 0.42 -0.07 0.42 -1.08 0.00 0.00 175.30 175.31 2rq9 s ILE 20 N -1.66 1.57 0.69 4.99 1.01 -1.03 -3.21 121.20 123.56 2rq9 s ILE 20 Ca 0.23 -1.18 -0.13 0.00 0.00 0.00 0.00 60.65 59.57 2rq9 s ILE 20 Cb -0.09 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.61 2rq9 s ILE 20 CO 0.13 -0.04 1.08 -0.76 0.00 0.00 0.00 174.94 175.35 2rq9 s LEU 21 N 1.39 3.23 0.00 2.97 1.43 0.40 -4.78 118.68 123.31 2rq9 s LEU 21 Ca -0.05 1.80 0.22 0.00 -1.03 0.00 0.00 54.13 55.07 2rq9 s LEU 21 Cb -0.18 -4.52 1.34 0.00 0.03 0.00 0.00 46.19 42.85 2rq9 s LEU 21 CO -0.06 -1.62 1.73 -0.81 0.23 0.00 0.00 176.35 175.82 2rq9 n PRO 22 N -2.89 0.75 0.01 1.29 -0.04 -1.26 -1.99 135.00 130.88 2rq9 n PRO 22 Ca 0.09 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 2rq9 n PRO 22 Cb 0.53 -1.46 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.96 0.37 0.00 3.54 2.03 -1.26 -4.98 116.55 115.28 2rq9 n ASP 23 Ca 0.17 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2rq9 n ASP 23 Cb 0.08 1.44 0.00 0.00 -0.72 0.00 0.00 41.12 41.92 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 1.30 0.72 3.24 0.27 0.00 -0.84 -5.02 105.19 104.86 2rq9 n GLY 24 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.28 1.52 -0.18 2.61 2.01 -1.25 -4.40 115.64 114.67 2rq9 s THR 25 Ca 0.00 -1.33 -0.03 0.00 0.31 0.00 0.00 61.69 60.65 2rq9 s THR 25 Cb 0.00 -1.37 0.06 0.00 0.01 0.00 0.00 72.50 71.20 2rq9 s THR 25 CO 0.00 0.00 0.03 -0.69 -0.69 0.00 0.00 174.62 173.27 2rq9 s VAL 26 N -1.03 0.53 0.13 3.82 1.01 -1.24 -0.45 120.40 123.18 2rq9 s VAL 26 Ca 0.05 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 2rq9 s VAL 26 Cb -0.09 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.28 2rq9 s VAL 26 CO 0.03 -0.17 0.29 -1.81 0.00 0.00 0.00 175.10 173.44 2rq9 s ASP 27 N 1.86 -0.00 0.16 3.32 1.01 -1.20 -4.27 116.67 117.55 2rq9 s ASP 27 Ca -0.01 -0.68 -0.30 0.00 0.71 0.00 0.00 52.55 52.28 2rq9 s ASP 27 Cb -0.17 0.42 -0.07 0.00 1.01 0.00 0.00 42.92 44.12 2rq9 s ASP 27 CO -0.08 -0.85 0.97 -0.83 0.21 0.00 0.00 175.17 174.60 2rq9 s GLY 28 N -2.90 3.02 0.00 0.21 0.00 -0.06 -3.14 107.32 104.45 2rq9 s GLY 28 Ca 0.10 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.44 2rq9 s GLY 28 CO -0.06 1.40 0.36 -0.37 0.00 0.00 0.00 173.10 174.44 2rq9 n THR 29 N 2.36 0.00 -3.32 0.90 5.66 -1.14 -4.72 114.28 114.02 2rq9 n THR 29 Ca 0.01 -0.41 -0.24 0.00 -3.05 0.00 0.00 64.05 60.37 2rq9 n THR 29 Cb 0.48 1.17 -0.05 0.00 -1.55 0.00 0.00 70.33 70.38 2rq9 n THR 29 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2rq9 n ARG 30 N -0.09 -0.86 -4.34 1.09 0.63 -1.26 -4.83 116.66 107.00 2rq9 n ARG 30 Ca 0.00 0.08 -0.23 0.00 -0.92 0.00 0.00 57.85 56.77 2rq9 n ARG 30 Cb 0.04 -2.60 -0.17 0.00 0.45 0.00 0.00 32.46 30.19 2rq9 n ARG 30 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2rq9 s ASP 31 N -2.59 1.54 0.16 6.15 -1.08 -1.26 -4.89 116.67 114.70 2rq9 s ASP 31 Ca 0.39 -0.24 0.19 0.00 -0.52 0.00 0.00 52.55 52.38 2rq9 s ASP 31 Cb -0.23 -0.69 -0.04 0.00 -1.46 0.00 0.00 42.92 40.50 2rq9 s ASP 31 CO 0.59 -0.02 1.01 0.03 0.52 0.00 0.00 175.17 177.30 2rq9 h ARG 32 N 7.22 0.00 0.73 4.34 3.08 -2.02 -3.37 114.38 124.36 2rq9 h ARG 32 Ca -0.33 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.69 2rq9 h ARG 32 Cb 1.17 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.22 2rq9 h ARG 32 CO 0.46 0.17 -0.35 1.03 -1.07 0.00 0.00 179.97 180.20 2rq9 h SER 33 N 0.00 -0.83 -2.29 7.04 0.87 -1.98 -3.44 113.55 112.92 2rq9 h SER 33 Ca -0.07 0.03 -0.60 0.00 -1.23 0.00 0.00 61.79 59.92 2rq9 h SER 33 Cb 1.29 0.22 0.17 0.00 -0.44 0.00 0.00 62.40 63.63 2rq9 h SER 33 CO 0.03 -0.59 -0.74 -0.67 -0.53 0.00 0.00 176.83 174.32 2rq9 n ASP 34 N -5.51 -2.19 -0.05 6.23 2.03 -1.26 -4.90 116.55 110.90 2rq9 n ASP 34 Ca -0.14 0.76 -0.01 0.00 0.52 0.00 0.00 54.79 55.92 2rq9 n ASP 34 Cb 0.40 -1.00 -0.14 0.00 -0.72 0.00 0.00 41.12 39.65 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 0.84 0.91 0.18 -0.67 6.02 -1.26 -4.22 117.38 119.17 2rq9 n GLN 35 Ca 0.10 -0.08 0.12 0.00 -0.01 0.00 0.00 57.00 57.14 2rq9 n GLN 35 Cb 0.44 -1.45 0.64 0.00 1.02 0.00 0.00 30.24 30.90 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 0.00 0.16 1.08 3.86 -1.90 0.19 115.15 118.54 2rq9 h HIS 36 Ca -0.28 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.64 2rq9 h HIS 36 Cb 1.58 0.00 0.01 0.00 1.06 0.00 0.00 27.41 30.07 2rq9 h HIS 36 CO 0.00 0.00 -1.33 -0.84 0.86 0.00 0.00 177.93 176.62 2rq9 h ILE 37 N 0.00 1.42 -0.82 2.45 3.07 -1.82 -2.73 117.51 119.09 2rq9 h ILE 37 Ca 0.00 -2.95 -0.30 0.00 1.55 0.00 0.00 64.86 63.16 2rq9 h ILE 37 Cb 0.03 2.96 -0.02 0.00 -0.27 0.00 0.00 36.82 39.52 2rq9 h ILE 37 CO 0.00 0.87 1.12 0.00 -1.05 0.00 0.00 178.15 179.09 2rq9 n GLN 38 N -3.58 0.65 -3.93 0.16 6.02 0.66 -4.66 117.38 112.69 2rq9 n GLN 38 Ca -0.11 -0.30 -0.32 0.00 -0.01 0.00 0.00 57.00 56.25 2rq9 n GLN 38 Cb 1.05 -3.07 -0.05 0.00 1.02 0.00 0.00 30.24 29.19 2rq9 n GLN 38 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2rq9 s LEU 39 N 11.64 4.30 -0.30 1.08 1.43 -1.07 -3.07 118.68 132.69 2rq9 s LEU 39 Ca 1.04 0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 54.33 2rq9 s LEU 39 Cb -0.35 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 2rq9 s LEU 39 CO 0.25 0.23 0.15 -1.10 0.23 0.00 0.00 176.35 176.11 2rq9 s GLN 40 N -2.15 3.53 -0.15 1.70 -0.21 0.49 -3.04 119.66 119.84 2rq9 s GLN 40 Ca 0.30 -0.59 -0.08 0.00 0.02 0.00 0.00 55.36 55.01 2rq9 s GLN 40 Cb -0.13 -3.56 -0.04 0.00 1.00 0.00 0.00 33.01 30.28 2rq9 s GLN 40 CO 0.22 -0.33 0.14 -0.51 -2.12 0.00 0.00 175.29 172.68 2rq9 s LEU 41 N 1.65 4.32 0.07 2.90 1.02 -1.26 -1.01 118.68 126.38 2rq9 s LEU 41 Ca 0.06 0.38 -0.02 0.00 0.02 0.00 0.00 54.13 54.56 2rq9 s LEU 41 Cb -0.16 -2.08 -0.03 0.00 0.02 0.00 0.00 46.19 43.93 2rq9 s LEU 41 CO 0.07 0.32 0.03 -0.44 0.02 0.00 0.00 176.35 176.35 2rq9 s SER 42 N -0.51 0.39 -0.17 2.29 0.01 0.64 -4.93 113.70 111.42 2rq9 s SER 42 Ca 0.12 -0.97 -0.00 0.00 1.31 0.00 0.00 55.95 56.41 2rq9 s SER 42 Cb -0.12 0.24 -0.00 0.00 0.21 0.00 0.00 66.02 66.36 2rq9 s SER 42 CO 0.02 -0.65 -0.14 0.00 0.41 0.00 0.00 173.24 172.88 2rq9 s ALA 43 N -3.93 2.54 -0.19 1.44 0.00 -1.26 0.21 121.76 120.57 2rq9 s ALA 43 Ca 0.09 -1.08 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 2rq9 s ALA 43 Cb 0.07 -1.31 -0.10 0.00 0.00 0.00 0.00 23.12 21.78 2rq9 s ALA 43 CO -0.08 -0.13 -0.21 -1.91 0.00 0.00 0.00 175.76 173.43 2rq9 n GLU 44 N 4.23 0.44 -4.39 0.00 2.13 -1.14 -4.98 120.64 116.93 2rq9 n GLU 44 Ca -0.19 0.15 -0.19 0.00 0.66 0.00 0.00 57.16 57.58 2rq9 n GLU 44 Cb 0.51 -1.28 -0.10 0.00 0.27 0.00 0.00 31.44 30.84 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 -6.33 2.23 0.05 4.31 0.01 -1.24 -5.04 113.70 107.70 2rq9 s SER 45 Ca -0.26 -1.26 -0.30 0.00 1.31 0.00 0.00 55.95 55.43 2rq9 s SER 45 Cb 0.09 -0.06 -0.09 0.00 0.21 0.00 0.00 66.02 66.16 2rq9 s SER 45 CO 0.38 -0.50 1.89 0.54 0.41 0.00 0.00 173.24 175.96 2rq9 s VAL 46 N -3.28 2.94 -0.34 3.43 0.11 -1.26 -0.30 120.40 121.70 2rq9 s VAL 46 Ca 0.31 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.48 2rq9 s VAL 46 Cb 0.06 -3.08 0.00 0.00 -1.53 0.00 0.00 36.38 31.84 2rq9 s VAL 46 CO 0.12 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.49 2rq9 n GLY 47 N 4.39 0.60 3.17 6.54 0.00 -1.26 -5.00 105.19 113.64 2rq9 n GLY 47 Ca 0.19 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.55 2.54 0.11 1.61 2.02 0.59 -2.70 118.70 121.32 2rq9 s GLU 48 Ca 0.00 -0.74 0.06 0.00 0.02 0.00 0.00 54.97 54.30 2rq9 s GLU 48 Cb 0.00 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.20 2rq9 s GLU 48 CO 0.00 0.17 -0.14 0.14 0.02 0.00 0.00 175.26 175.45 2rq9 s VAL 49 N 0.33 1.28 -0.08 2.63 -7.23 0.12 -2.88 120.40 114.56 2rq9 s VAL 49 Ca -0.15 -1.61 0.04 0.00 -1.81 0.00 0.00 61.98 58.46 2rq9 s VAL 49 Cb -0.16 -1.41 -0.00 0.00 0.56 0.00 0.00 36.38 35.36 2rq9 s VAL 49 CO 0.06 -0.36 -0.23 -0.31 -0.31 0.00 0.00 175.10 173.96 2rq9 s TYR 50 N -1.89 2.40 -0.16 2.82 2.02 0.55 -1.59 117.35 121.50 2rq9 s TYR 50 Ca 0.06 -0.91 -0.03 0.00 -0.37 0.00 0.00 57.07 55.82 2rq9 s TYR 50 Cb -0.06 -1.61 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 2rq9 s TYR 50 CO 0.03 -0.35 -0.06 0.42 -1.57 0.00 0.00 175.55 174.02 2rq9 s ILE 51 N 0.24 3.61 0.03 2.71 1.01 -1.25 -0.26 121.20 127.28 2rq9 s ILE 51 Ca -0.14 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 2rq9 s ILE 51 Cb -0.17 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 2rq9 s ILE 51 CO 0.07 0.49 0.01 -1.59 0.00 0.00 0.00 174.94 173.92 2rq9 s LYS 52 N 0.53 0.43 -0.14 2.79 -2.85 -0.18 -1.10 119.74 119.21 2rq9 s LYS 52 Ca -0.05 -0.71 -0.18 0.00 -1.00 0.00 0.00 55.97 54.03 2rq9 s LYS 52 Cb -0.15 0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 35.74 2rq9 s LYS 52 CO 0.03 -0.09 0.48 0.45 0.10 0.00 0.00 175.35 176.32 2rq9 s SER 53 N -1.82 6.64 0.00 0.03 0.15 0.21 0.19 113.70 119.09 2rq9 s SER 53 Ca -0.10 0.76 0.14 0.00 0.70 0.00 0.00 55.95 57.46 2rq9 s SER 53 Cb -0.05 -2.28 0.44 0.00 -1.71 0.00 0.00 66.02 62.42 2rq9 s SER 53 CO -0.03 -0.04 1.35 0.35 1.20 0.00 0.00 173.24 176.07 2rq9 n THR 54 N 3.89 0.44 -0.02 6.45 -2.24 -1.17 -2.40 114.28 119.23 2rq9 n THR 54 Ca -0.07 -0.48 -0.02 0.00 -2.27 0.00 0.00 64.05 61.21 2rq9 n THR 54 Cb 0.51 0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 69.04 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 0.58 0.13 0.10 -0.78 4.07 -1.26 -4.79 120.64 118.68 2rq9 n GLU 55 Ca 0.14 0.05 -0.23 0.00 -0.06 0.00 0.00 57.16 57.06 2rq9 n GLU 55 Cb 0.33 -0.67 -0.15 0.00 -0.06 0.00 0.00 31.44 30.89 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 -0.25 1.33 0.00 6.31 1.35 -1.87 -3.49 112.91 116.30 2rq9 h THR 56 Ca 0.00 -2.61 0.00 0.00 -0.55 0.00 0.00 66.41 63.25 2rq9 h THR 56 Cb 0.25 3.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.73 2rq9 h THR 56 CO 0.00 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 2rq9 n GLY 57 N 1.71 1.08 3.45 5.82 0.00 -1.01 -5.09 105.19 111.16 2rq9 n GLY 57 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.07 1.61 -0.11 1.61 -0.21 -1.24 -4.89 119.66 116.35 2rq9 s GLN 58 Ca 0.00 -1.60 -0.09 0.00 0.02 0.00 0.00 55.36 53.69 2rq9 s GLN 58 Cb 0.00 -1.83 -0.04 0.00 1.00 0.00 0.00 33.01 32.13 2rq9 s GLN 58 CO 0.00 0.38 0.19 0.71 -2.12 0.00 0.00 175.29 174.44 2rq9 s TYR 59 N -1.98 3.61 -0.21 0.91 2.02 -0.80 0.63 117.35 121.53 2rq9 s TYR 59 Ca 0.24 0.60 -0.29 0.00 -0.37 0.00 0.00 57.07 57.25 2rq9 s TYR 59 Cb -0.07 -2.02 -0.00 0.00 -0.40 0.00 0.00 41.96 39.48 2rq9 s TYR 59 CO 0.12 0.69 1.16 -1.17 -1.57 0.00 0.00 175.55 174.78 2rq9 s LEU 60 N -0.94 4.11 0.02 -1.29 2.96 -0.26 0.60 118.68 123.89 2rq9 s LEU 60 Ca 0.16 1.49 0.00 0.00 -0.22 0.00 0.00 54.13 55.56 2rq9 s LEU 60 Cb -0.13 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 2rq9 s LEU 60 CO 0.05 -0.75 -0.03 0.00 -1.32 0.00 0.00 176.35 174.30 2rq9 s ALA 61 N 3.43 0.15 -0.31 5.97 0.00 -0.24 -4.31 121.76 126.44 2rq9 s ALA 61 Ca 0.49 -0.58 -0.10 0.00 0.00 0.00 0.00 51.96 51.77 2rq9 s ALA 61 Cb -0.18 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 2rq9 s ALA 61 CO 0.11 -0.14 0.17 1.41 0.00 0.00 0.00 175.76 177.31 2rq9 s MET 62 N -1.42 3.43 1.17 0.00 1.75 -1.25 -0.10 119.30 122.89 2rq9 s MET 62 Ca -0.15 -0.66 -0.16 0.00 -1.25 0.00 0.00 55.69 53.47 2rq9 s MET 62 Cb -0.10 -3.61 0.27 0.00 2.84 0.00 0.00 34.83 34.24 2rq9 s MET 62 CO -0.01 -0.39 1.04 0.16 -0.65 0.00 0.00 175.02 175.17 2rq9 s ASP 63 N 1.65 1.04 0.27 1.11 1.47 0.81 -4.88 116.67 118.13 2rq9 s ASP 63 Ca 0.05 1.11 -0.00 0.00 1.18 0.00 0.00 52.55 54.89 2rq9 s ASP 63 Cb -0.17 -1.70 0.37 0.00 -0.34 0.00 0.00 42.92 41.08 2rq9 s ASP 63 CO 0.07 -4.10 1.74 0.71 0.68 0.00 0.00 175.17 174.27 2rq9 h THR 64 N -2.56 1.25 -0.63 2.11 1.35 -1.98 -2.18 112.91 110.26 2rq9 h THR 64 Ca -0.54 -1.11 0.15 0.00 -0.55 0.00 0.00 66.41 64.36 2rq9 h THR 64 Cb 1.33 1.10 -0.03 0.00 -1.73 0.00 0.00 68.15 68.81 2rq9 h THR 64 CO 0.46 0.37 0.44 0.44 -0.25 0.00 0.00 175.52 176.98 2rq9 h ASP 65 N 0.59 0.15 0.00 5.36 5.19 -2.04 -3.45 116.42 122.23 2rq9 h ASP 65 Ca 0.10 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2rq9 h ASP 65 Cb 0.55 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.04 2rq9 h ASP 65 CO 0.03 0.08 0.00 0.61 -3.12 0.00 0.00 179.24 176.84 2rq9 n GLY 66 N -1.60 1.10 3.96 2.75 0.00 -0.82 -4.58 105.19 106.00 2rq9 n GLY 66 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 4.05 -0.11 0.99 2.01 -1.26 0.14 118.68 124.49 2rq9 s LEU 67 Ca 0.00 0.24 -0.08 0.00 0.01 0.00 0.00 54.13 54.30 2rq9 s LEU 67 Cb 0.00 -3.10 -0.04 0.00 0.01 0.00 0.00 46.19 43.06 2rq9 s LEU 67 CO 0.00 -0.30 0.17 -0.76 1.01 0.00 0.00 176.35 176.47 2rq9 s LEU 68 N -4.24 4.38 0.04 1.79 1.43 -1.26 -0.14 118.68 120.69 2rq9 s LEU 68 Ca 0.40 0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 53.87 2rq9 s LEU 68 Cb -0.09 -2.14 0.02 0.00 0.03 0.00 0.00 46.19 44.01 2rq9 s LEU 68 CO 0.34 0.38 0.31 -0.72 0.23 0.00 0.00 176.35 176.88 2rq9 s TYR 69 N -0.89 -0.11 -0.14 0.29 -0.85 0.86 -3.65 117.35 112.84 2rq9 s TYR 69 Ca 0.16 -0.02 -0.24 0.00 -0.52 0.00 0.00 57.07 56.45 2rq9 s TYR 69 Cb -0.13 0.10 -0.02 0.00 0.38 0.00 0.00 41.96 42.30 2rq9 s TYR 69 CO 0.05 -0.51 0.77 0.20 -1.52 0.00 0.00 175.55 174.54 2rq9 s GLY 70 N -2.06 2.26 0.05 5.49 0.00 -1.26 -1.08 107.32 110.72 2rq9 s GLY 70 Ca -0.05 0.03 -0.18 0.00 0.00 0.00 0.00 44.72 44.51 2rq9 s GLY 70 CO -0.03 1.48 0.53 -0.45 0.00 0.00 0.00 173.10 174.62 2rq9 s SER 71 N 1.07 6.99 0.25 1.64 0.15 0.20 -4.80 113.70 119.20 2rq9 s SER 71 Ca 0.37 1.18 -0.02 0.00 0.70 0.00 0.00 55.95 58.18 2rq9 s SER 71 Cb -0.17 -2.33 0.30 0.00 -1.71 0.00 0.00 66.02 62.11 2rq9 s SER 71 CO 0.14 0.28 1.72 -0.61 1.20 0.00 0.00 173.24 175.97 2rq9 h GLN 72 N 4.63 0.75 -5.96 5.44 4.15 -1.92 -2.11 115.11 120.09 2rq9 h GLN 72 Ca -0.50 -0.24 -0.54 0.00 0.77 0.00 0.00 58.65 58.14 2rq9 h GLN 72 Cb 1.21 -0.07 -0.15 0.00 0.21 0.00 0.00 27.48 28.69 2rq9 h GLN 72 CO 0.63 0.82 -0.76 0.95 -1.93 0.00 0.00 178.83 178.54 2rq9 s THR 73 N -4.82 2.11 -0.59 2.39 -4.23 -1.26 -4.86 115.64 104.37 2rq9 s THR 73 Ca -0.09 -2.25 -0.27 0.00 -1.18 0.00 0.00 61.69 57.90 2rq9 s THR 73 Cb 0.14 -2.13 0.01 0.00 1.34 0.00 0.00 72.50 71.85 2rq9 s THR 73 CO 0.81 -0.45 1.51 -2.16 -0.54 0.00 0.00 174.62 173.80 2rq9 s PRO 74 N -3.42 3.12 0.23 3.99 0.04 -1.26 -4.81 135.00 132.89 2rq9 s PRO 74 Ca 0.25 0.42 0.10 0.00 0.04 0.00 0.00 61.00 61.80 2rq9 s PRO 74 Cb -0.04 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 2rq9 s PRO 74 CO 0.10 -2.16 -0.09 -0.80 0.04 0.00 0.00 177.00 174.09 2rq9 s ASN 75 N 5.25 4.17 0.42 6.66 0.01 -1.26 -5.00 114.94 125.19 2rq9 s ASN 75 Ca 0.54 -0.71 0.23 0.00 -0.71 0.00 0.00 52.86 52.21 2rq9 s ASN 75 Cb -0.11 -0.65 1.23 0.00 0.41 0.00 0.00 41.25 42.12 2rq9 s ASN 75 CO 0.23 0.06 1.74 -0.08 -1.51 0.00 0.00 177.10 177.54 2rq9 h GLU 76 N 2.45 0.27 -0.04 -0.60 4.81 -1.93 1.61 114.58 121.16 2rq9 h GLU 76 Ca -0.45 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 2rq9 h GLU 76 Cb 1.23 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2rq9 h GLU 76 CO 0.57 0.18 0.14 0.93 -0.73 0.00 0.00 179.01 180.10 2rq9 h GLU 77 N 0.28 0.00 0.00 1.92 5.08 -1.95 1.19 114.58 121.09 2rq9 h GLU 77 Ca 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.00 2rq9 h GLU 77 Cb 1.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.08 2rq9 h GLU 77 CO -0.29 0.00 -0.44 0.00 -1.00 0.00 0.00 179.01 177.28 2rq9 s LEU 79 N -4.91 4.26 0.27 0.00 2.96 0.41 -3.95 118.68 117.72 2rq9 s LEU 79 Ca 0.06 1.08 0.05 0.00 -0.22 0.00 0.00 54.13 55.10 2rq9 s LEU 79 Cb 0.11 -3.02 -0.06 0.00 0.50 0.00 0.00 46.19 43.72 2rq9 s LEU 79 CO 0.70 -0.16 -0.02 -0.36 -1.32 0.00 0.00 176.35 175.19 2rq9 s PHE 80 N 1.13 1.82 -0.21 5.38 0.40 -0.62 -1.04 117.98 124.84 2rq9 s PHE 80 Ca 0.35 -0.83 -0.08 0.00 -0.60 0.00 0.00 56.93 55.76 2rq9 s PHE 80 Cb -0.17 -1.07 -0.04 0.00 0.51 0.00 0.00 43.02 42.24 2rq9 s PHE 80 CO 0.15 0.12 0.10 -0.51 0.70 0.00 0.00 175.22 175.77 2rq9 s LEU 81 N -3.40 3.89 0.05 -0.37 2.01 0.41 -0.70 118.68 120.56 2rq9 s LEU 81 Ca 0.30 0.07 0.03 0.00 0.01 0.00 0.00 54.13 54.55 2rq9 s LEU 81 Cb 0.05 -2.01 -0.04 0.00 0.01 0.00 0.00 46.19 44.21 2rq9 s LEU 81 CO 0.11 0.12 -0.01 -0.70 1.01 0.00 0.00 176.35 176.88 2rq9 s GLU 82 N 0.69 2.62 0.06 1.70 -6.30 -1.10 -1.45 118.70 114.93 2rq9 s GLU 82 Ca 0.05 -0.74 -0.24 0.00 -2.50 0.00 0.00 54.97 51.54 2rq9 s GLU 82 Cb -0.13 -2.58 0.06 0.00 0.00 0.00 0.00 34.13 31.48 2rq9 s GLU 82 CO 0.02 0.58 0.56 0.50 0.02 0.00 0.00 175.26 176.94 2rq9 s ARG 83 N -1.91 1.10 -0.25 4.30 3.52 -1.06 -4.82 118.95 119.83 2rq9 s ARG 83 Ca 0.22 -0.23 -0.18 0.00 -0.13 0.00 0.00 55.73 55.41 2rq9 s ARG 83 Cb -0.12 0.51 -0.03 0.00 -1.56 0.00 0.00 34.95 33.75 2rq9 s ARG 83 CO 0.14 -0.41 0.51 -1.17 -0.81 0.00 0.00 175.30 173.55 2rq9 s LEU 84 N -2.07 4.07 0.42 -0.88 1.98 -1.26 -1.95 118.68 118.99 2rq9 s LEU 84 Ca -0.04 0.54 0.05 0.00 -2.89 0.00 0.00 54.13 51.79 2rq9 s LEU 84 Cb -0.01 -2.66 0.01 0.00 0.66 0.00 0.00 46.19 44.19 2rq9 s LEU 84 CO -0.03 -0.26 0.59 -1.61 -1.89 0.00 0.00 176.35 173.15 2rq9 s GLU 85 N 2.18 2.89 0.89 1.98 0.41 0.83 -5.01 118.70 122.87 2rq9 s GLU 85 Ca 0.21 -0.98 -0.12 0.00 -0.41 0.00 0.00 54.97 53.67 2rq9 s GLU 85 Cb -0.16 -2.70 0.09 0.00 -1.78 0.00 0.00 34.13 29.58 2rq9 s GLU 85 CO 0.09 -0.26 0.03 0.39 -0.49 0.00 0.00 175.26 175.02 2rq9 n GLU 86 N -1.92 -1.43 0.00 1.61 -0.58 -1.26 -3.56 120.64 113.50 2rq9 n GLU 86 Ca 0.05 -0.42 0.00 0.00 -0.42 0.00 0.00 57.16 56.36 2rq9 n GLU 86 Cb 0.59 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 2rq9 n GLU 86 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2rq9 n ASN 87 N 0.25 0.00 0.00 1.62 3.02 -1.26 -3.01 115.26 115.89 2rq9 n ASN 87 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2rq9 n ASN 87 Cb 0.32 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 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 0.00 0.00 -4.38 3.10 -0.00 -1.24 -5.17 115.22 107.53 2rq9 n HIS 88 Ca 0.00 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.99 2rq9 n HIS 88 Cb 0.00 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 29.77 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 0.00 1.75 0.14 1.57 2.02 -1.16 -4.95 117.35 116.71 2rq9 s TYR 89 Ca 0.00 -0.80 0.10 0.00 -0.37 0.00 0.00 57.07 56.00 2rq9 s TYR 89 Cb 0.00 -1.00 -0.04 0.00 -0.40 0.00 0.00 41.96 40.52 2rq9 s TYR 89 CO 0.00 0.13 -0.23 -0.80 -1.57 0.00 0.00 175.55 173.08 2rq9 s ASN 90 N -3.37 3.03 0.10 2.29 -0.87 0.12 -0.12 114.94 116.11 2rq9 s ASN 90 Ca 0.28 -0.77 0.07 0.00 -1.57 0.00 0.00 52.86 50.88 2rq9 s ASN 90 Cb 0.05 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.25 41.05 2rq9 s ASN 90 CO 0.10 0.10 -0.19 0.42 -2.57 0.00 0.00 177.10 174.96 2rq9 s THR 91 N -1.33 1.57 -0.04 1.60 -4.23 -0.82 0.17 115.64 112.55 2rq9 s THR 91 Ca 0.13 -1.51 0.02 0.00 -1.18 0.00 0.00 61.69 59.16 2rq9 s THR 91 Cb -0.09 -1.46 0.01 0.00 1.34 0.00 0.00 72.50 72.30 2rq9 s THR 91 CO 0.06 -0.11 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.61 2rq9 s TYR 92 N -1.24 1.19 0.02 3.99 2.02 -1.25 -2.56 117.35 119.52 2rq9 s TYR 92 Ca 0.05 -0.37 0.04 0.00 -0.37 0.00 0.00 57.07 56.42 2rq9 s TYR 92 Cb -0.10 -0.87 -0.02 0.00 -0.40 0.00 0.00 41.96 40.57 2rq9 s TYR 92 CO 0.04 -0.19 -0.13 0.42 -1.57 0.00 0.00 175.55 174.13 2rq9 s ILE 93 N 0.46 1.01 0.28 2.71 1.01 -0.53 -2.31 121.20 123.82 2rq9 s ILE 93 Ca -0.09 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 2rq9 s ILE 93 Cb -0.13 -0.89 -0.10 0.00 0.01 0.00 0.00 42.46 41.36 2rq9 s ILE 93 CO 0.02 0.10 1.23 -0.55 0.00 0.00 0.00 174.94 175.73 2rq9 s SER 94 N -0.79 6.99 0.00 3.58 0.15 -1.25 0.16 113.70 122.54 2rq9 s SER 94 Ca 0.02 2.46 0.00 0.00 0.70 0.00 0.00 55.95 59.13 2rq9 s SER 94 Cb -0.07 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2rq9 s SER 94 CO 0.00 -0.39 0.41 1.17 1.20 0.00 0.00 173.24 175.64 2rq9 n LYS 95 N 1.43 0.00 -0.67 5.44 4.81 -0.20 0.94 118.16 129.90 2rq9 n LYS 95 Ca 0.01 0.14 0.51 0.00 -0.87 0.00 0.00 58.31 58.11 2rq9 n LYS 95 Cb 0.43 -0.96 0.81 0.00 0.02 0.00 0.00 35.03 35.33 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 -1.64 1.64 1.57 -1.80 1.46 116.57 117.79 2rq9 h LYS 96 Ca 0.00 -0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 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 -4.05 3.44 -0.07 -1.35 8.25 -1.18 -4.76 115.22 115.49 2rq9 n HIS 97 Ca 0.44 -3.27 -0.20 0.00 -0.26 0.00 0.00 57.72 54.42 2rq9 n HIS 97 Cb 1.95 -0.17 -0.12 0.00 1.12 0.00 0.00 29.99 32.77 2rq9 n HIS 97 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2rq9 h ALA 98 N 2.67 0.21 -0.01 -1.41 0.00 0.88 -3.33 119.26 118.28 2rq9 h ALA 98 Ca 0.25 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2rq9 h ALA 98 Cb 0.85 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 2rq9 h ALA 98 CO 0.83 0.65 0.06 0.93 0.00 0.00 0.00 179.25 181.72 2rq9 h GLU 99 N -0.77 0.00 0.00 0.00 5.08 -1.82 0.58 114.58 117.65 2rq9 h GLU 99 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2rq9 h GLU 99 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2rq9 h GLU 99 CO -0.09 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.55 2rq9 n LYS 100 N -3.13 0.49 -3.73 2.33 5.02 -1.25 -4.90 118.16 112.99 2rq9 n LYS 100 Ca -0.03 0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 2rq9 n LYS 100 Cb 0.13 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.19 -5.21 -4.43 4.39 3.02 0.20 -4.81 115.26 107.23 2rq9 n ASN 101 Ca 0.14 -0.96 -0.33 0.00 -0.03 0.00 0.00 54.58 53.40 2rq9 n ASN 101 Cb 0.16 -2.68 -0.13 0.00 -0.61 0.00 0.00 39.78 36.51 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 2.89 0.10 3.10 0.51 -1.26 -4.59 118.94 116.42 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 -0.12 -1.87 -0.04 0.00 -0.81 0.00 0.00 33.47 30.63 2rq9 s TRP 102 CO 0.89 -0.10 -0.18 -0.06 -0.51 0.00 0.00 176.95 176.98 2rq9 s PHE 103 N 0.24 2.54 -0.29 -1.98 0.40 -1.26 -3.75 117.98 113.89 2rq9 s PHE 103 Ca -0.06 -0.26 -0.24 0.00 -0.60 0.00 0.00 56.93 55.76 2rq9 s PHE 103 Cb -0.15 -1.37 0.00 0.00 0.51 0.00 0.00 43.02 42.01 2rq9 s PHE 103 CO 0.04 0.35 0.83 0.08 0.70 0.00 0.00 175.22 177.23 2rq9 s VAL 104 N -1.09 4.78 0.17 -0.44 1.01 -0.98 -4.70 120.40 119.15 2rq9 s VAL 104 Ca 0.17 1.36 -0.21 0.00 0.00 0.00 0.00 61.98 63.31 2rq9 s VAL 104 Cb -0.11 -4.16 0.05 0.00 0.00 0.00 0.00 36.38 32.17 2rq9 s VAL 104 CO 0.09 -0.21 0.57 -0.83 0.00 0.00 0.00 175.10 174.72 2rq9 s GLY 105 N 1.53 -0.45 0.18 4.51 0.00 -1.26 -4.48 107.32 107.35 2rq9 s GLY 105 Ca 0.34 0.24 0.08 0.00 0.00 0.00 0.00 44.72 45.38 2rq9 s GLY 105 CO 0.11 0.01 -0.17 1.08 0.00 0.00 0.00 173.10 174.13 2rq9 s LEU 106 N -2.79 2.48 0.00 0.66 1.43 -1.26 -0.25 118.68 118.95 2rq9 s LEU 106 Ca 0.03 -0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 52.19 2rq9 s LEU 106 Cb -0.01 -0.78 0.04 0.00 0.03 0.00 0.00 46.19 45.47 2rq9 s LEU 106 CO -0.10 -0.08 0.27 0.29 0.23 0.00 0.00 176.35 176.96 2rq9 n LYS 107 N 0.05 -0.11 0.22 1.70 5.02 0.49 -4.41 118.16 121.12 2rq9 n LYS 107 Ca -0.11 -0.47 0.12 0.00 -2.02 0.00 0.00 58.31 55.83 2rq9 n LYS 107 Cb 0.58 -0.26 0.25 0.00 -0.02 0.00 0.00 35.03 35.59 2rq9 n LYS 107 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2rq9 h LYS 108 N 0.00 0.00 -0.11 1.97 3.64 -1.90 -2.69 116.57 117.47 2rq9 h LYS 108 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2rq9 h LYS 108 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2rq9 h LYS 108 CO 0.07 0.06 0.00 -1.71 -2.27 0.00 0.00 179.45 175.60 2rq9 n ASN 109 N -3.12 1.16 -1.06 4.20 2.85 -1.26 -4.88 115.26 113.15 2rq9 n ASN 109 Ca 0.03 -1.62 -0.07 0.00 -0.11 0.00 0.00 54.58 52.81 2rq9 n ASN 109 Cb 0.51 -0.07 0.01 0.00 1.24 0.00 0.00 39.78 41.47 2rq9 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2rq9 n GLY 110 N 1.03 0.29 3.59 8.20 0.00 -1.01 -4.93 105.19 112.35 2rq9 n GLY 110 Ca 0.15 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 2rq9 n GLY 110 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rq9 s SER 111 N -2.89 4.55 0.25 1.61 1.04 -1.26 -0.89 113.70 116.11 2rq9 s SER 111 Ca 0.08 -0.23 -0.30 0.00 0.48 0.00 0.00 55.95 55.98 2rq9 s SER 111 Cb -0.04 -0.99 -0.10 0.00 0.10 0.00 0.00 66.02 64.99 2rq9 s SER 111 CO 0.10 0.24 1.41 0.00 0.98 0.00 0.00 173.24 175.98 2rq9 s LYS 113 N -0.51 4.26 -0.01 0.00 2.20 0.65 -4.78 119.74 121.56 2rq9 s LYS 113 Ca 0.58 0.57 -0.39 0.00 -0.36 0.00 0.00 55.97 56.36 2rq9 s LYS 113 Cb -0.41 -3.53 -0.19 0.00 -1.51 0.00 0.00 37.83 32.19 2rq9 s LYS 113 CO 0.44 -0.10 1.19 0.54 -0.36 0.00 0.00 175.35 177.05 2rq9 n ARG 114 N 4.57 0.35 -0.06 4.03 3.00 -1.26 -4.65 116.66 122.64 2rq9 n ARG 114 Ca -0.03 0.13 -0.07 0.00 -0.01 0.00 0.00 57.85 57.86 2rq9 n ARG 114 Cb 0.50 -1.67 -0.01 0.00 0.00 0.00 0.00 32.46 31.28 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 3.64 0.15 -2.45 -0.13 0.00 -0.55 -0.85 103.07 102.88 2rq9 h GLY 115 Ca -0.50 0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2rq9 h GLY 115 CO 0.71 -0.12 0.00 -1.55 0.00 0.00 0.00 176.54 175.58 2rq9 n PRO 116 N -5.25 0.75 -0.75 4.80 -0.04 -1.26 -2.38 135.00 130.87 2rq9 n PRO 116 Ca -0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.46 2rq9 n PRO 116 Cb 0.17 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.98 0.00 -4.31 0.54 5.12 -0.32 -5.10 116.66 113.56 2rq9 n ARG 117 Ca 0.00 -1.11 -0.23 0.00 -1.93 0.00 0.00 57.85 54.57 2rq9 n ARG 117 Cb 0.37 -0.29 -0.08 0.00 -1.16 0.00 0.00 32.46 31.31 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 3.21 0.01 0.55 -4.23 -1.00 -4.89 115.64 109.28 2rq9 s THR 118 Ca 0.08 -1.98 -0.28 0.00 -1.18 0.00 0.00 61.69 58.33 2rq9 s THR 118 Cb 0.09 -2.76 0.09 0.00 1.34 0.00 0.00 72.50 71.26 2rq9 s THR 118 CO -0.04 -0.35 1.25 -1.00 -0.54 0.00 0.00 174.62 173.94 2rq9 s HIS 119 N -2.38 0.03 0.33 3.99 3.76 -1.26 -4.88 115.29 114.88 2rq9 s HIS 119 Ca 0.32 -0.18 -0.26 0.00 -0.15 0.00 0.00 55.06 54.78 2rq9 s HIS 119 Cb -0.05 0.58 -0.10 0.00 1.11 0.00 0.00 32.58 34.12 2rq9 s HIS 119 CO 0.19 -0.35 0.96 0.71 -0.85 0.00 0.00 174.74 175.40 2rq9 s TYR 120 N -2.04 3.66 0.00 1.40 2.02 -1.26 -3.73 117.35 117.41 2rq9 s TYR 120 Ca 0.29 1.77 0.00 0.00 -0.37 0.00 0.00 57.07 58.76 2rq9 s TYR 120 Cb -0.01 -2.95 0.00 0.00 -0.40 0.00 0.00 41.96 38.60 2rq9 s TYR 120 CO 0.00 0.13 0.00 0.41 -1.57 0.00 0.00 175.55 174.52 2rq9 n GLY 121 N 0.57 2.42 3.82 0.71 0.00 -1.26 -5.07 105.19 106.38 2rq9 n GLY 121 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.29 4.19 -0.22 1.61 -0.21 -1.24 -4.95 119.66 118.55 2rq9 s GLN 122 Ca 0.00 1.03 0.07 0.00 0.02 0.00 0.00 55.36 56.48 2rq9 s GLN 122 Cb 0.00 -2.27 0.52 0.00 1.00 0.00 0.00 33.01 32.27 2rq9 s GLN 122 CO 0.00 0.03 1.46 1.17 -2.12 0.00 0.00 175.29 175.83 2rq9 n LYS 123 N -0.52 2.99 -0.10 2.91 4.81 -1.26 -4.15 118.16 122.86 2rq9 n LYS 123 Ca 0.06 -2.12 -0.14 0.00 -0.87 0.00 0.00 58.31 55.24 2rq9 n LYS 123 Cb 0.54 -1.95 -0.05 0.00 0.02 0.00 0.00 35.03 33.59 2rq9 n LYS 123 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rq9 n ALA 124 N 0.03 0.81 -0.32 3.14 0.00 -1.26 -2.16 120.51 120.75 2rq9 n ALA 124 Ca 0.27 -0.72 0.16 0.00 0.00 0.00 0.00 53.44 53.15 2rq9 n ALA 124 Cb 1.05 -0.04 0.35 0.00 0.00 0.00 0.00 19.45 20.82 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 0.48 -1.87 0.00 3.07 -1.79 -3.37 117.51 113.02 2rq9 h ILE 125 Ca -0.20 -0.16 -0.56 0.00 1.55 0.00 0.00 64.86 65.50 2rq9 h ILE 125 Cb 1.04 -0.02 0.00 0.00 -0.27 0.00 0.00 36.82 37.57 2rq9 h ILE 125 CO -0.12 0.08 1.53 0.18 -1.05 0.00 0.00 178.15 178.77 2rq9 n LEU 126 N -4.99 3.01 -4.37 0.16 4.77 -1.26 -4.25 117.00 110.07 2rq9 n LEU 126 Ca 0.25 0.03 -0.33 0.00 -0.03 0.00 0.00 56.01 55.93 2rq9 n LEU 126 Cb 0.72 -1.56 -0.15 0.00 -2.33 0.00 0.00 43.42 40.10 2rq9 n LEU 126 CO 0.14 -0.91 -0.48 -0.36 -1.33 0.00 0.00 177.39 174.45 2rq9 s PHE 127 N 9.28 2.70 -0.36 -1.77 0.40 0.45 -4.18 117.98 124.51 2rq9 s PHE 127 Ca 1.01 -0.56 -0.02 0.00 -0.60 0.00 0.00 56.93 56.76 2rq9 s PHE 127 Cb -0.30 -1.74 0.08 0.00 0.51 0.00 0.00 43.02 41.57 2rq9 s PHE 127 CO 0.33 -0.13 0.10 -1.17 0.70 0.00 0.00 175.22 175.06 2rq9 s LEU 128 N -0.01 4.63 -0.18 -0.37 2.96 -1.19 -0.70 118.68 123.81 2rq9 s LEU 128 Ca -0.05 -1.73 -0.29 0.00 -0.22 0.00 0.00 54.13 51.84 2rq9 s LEU 128 Cb -0.14 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 2rq9 s LEU 128 CO 0.04 -0.41 1.28 -2.16 -1.32 0.00 0.00 176.35 173.79 2rq9 s PRO 129 N 1.16 4.18 -0.20 0.98 0.04 -1.26 -1.93 135.00 137.97 2rq9 s PRO 129 Ca 0.03 1.62 -0.13 0.00 0.04 0.00 0.00 61.00 62.56 2rq9 s PRO 129 Cb -0.21 -3.79 -0.05 0.00 0.04 0.00 0.00 34.50 30.49 2rq9 s PRO 129 CO -0.03 -0.77 0.26 -0.51 0.04 0.00 0.00 177.00 175.98 2rq9 s LEU 130 N 3.66 4.17 0.01 -3.56 2.01 0.25 -4.88 118.68 120.35 2rq9 s LEU 130 Ca 0.56 0.35 -0.30 0.00 0.01 0.00 0.00 54.13 54.74 2rq9 s LEU 130 Cb -0.21 -2.29 -0.04 0.00 0.01 0.00 0.00 46.19 43.65 2rq9 s LEU 130 CO 0.16 0.05 1.19 -2.16 1.01 0.00 0.00 176.35 176.60 2rq9 s PRO 131 N 0.87 4.41 -0.08 1.29 0.04 -1.26 0.37 135.00 140.63 2rq9 s PRO 131 Ca 0.13 1.71 0.18 0.00 0.04 0.00 0.00 61.00 63.06 2rq9 s PRO 131 Cb -0.13 -3.44 0.65 0.00 0.04 0.00 0.00 34.50 31.61 2rq9 s PRO 131 CO 0.04 -0.32 1.56 1.55 0.04 0.00 0.00 177.00 179.87 2rq9 n VAL 132 N 4.21 1.60 -3.66 -0.36 3.14 -0.89 -4.93 118.33 117.44 2rq9 n VAL 132 Ca 0.10 -1.18 -0.10 0.00 -2.96 0.00 0.00 64.34 60.19 2rq9 n VAL 132 Cb 0.47 0.23 -0.03 0.00 -1.06 0.00 0.00 33.84 33.44 2rq9 n VAL 132 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2rq9 s SER 133 N -1.01 -0.32 -0.17 6.55 0.15 -1.24 0.12 113.70 117.78 2rq9 s SER 133 Ca 0.47 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2rq9 s SER 133 Cb 0.29 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 2rq9 s SER 133 CO 0.24 -1.02 -0.16 -0.55 1.20 0.00 0.00 173.24 172.96 2rq9 s SER 134 N -2.84 3.55 0.02 5.45 0.15 -1.26 -4.88 113.70 113.89 2rq9 s SER 134 Ca 0.07 -0.52 -0.28 0.00 0.70 0.00 0.00 55.95 55.92 2rq9 s SER 134 Cb -0.01 -1.55 0.10 0.00 -1.71 0.00 0.00 66.02 62.85 2rq9 s SER 134 CO -0.06 0.05 0.94 -1.81 1.20 0.00 0.00 173.24 173.57 2rq9 s ASP 135 N 0.99 -0.29 1.00 5.45 1.01 -1.26 -5.04 116.67 118.52 2rq9 s ASP 135 Ca -0.02 -0.10 -0.12 0.00 0.71 0.00 0.00 52.55 53.02 2rq9 s ASP 135 Cb -0.15 0.38 0.19 0.00 1.01 0.00 0.00 42.92 44.35 2rq9 s ASP 135 CO -0.03 -0.64 0.43 0.18 0.21 0.00 0.00 175.17 175.32 2rq9 n LEU 136 N -0.29 0.00 0.00 1.23 7.99 -1.26 -5.04 117.00 119.63 2rq9 n LEU 136 Ca -0.07 -0.43 0.00 0.00 -0.01 0.00 0.00 56.01 55.49 2rq9 n LEU 136 Cb 0.61 -0.69 0.00 0.00 -0.11 0.00 0.00 43.42 43.24 2rq9 n LEU 136 CO 0.11 -2.34 0.00 -0.62 -1.51 0.00 0.00 177.39 173.03 2rq9 n GLU 137 N -1.85 0.00 -1.28 3.23 1.02 -1.26 -5.17 120.64 115.33 2rq9 n GLU 137 Ca 0.07 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.91 2rq9 n GLU 137 Cb 0.30 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 31.96 2rq9 n GLU 137 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2rq9 n HIS 138 N 0.00 -3.94 -3.90 -0.32 8.25 -1.26 -5.08 115.22 108.98 2rq9 n HIS 138 Ca 0.00 -1.06 -0.25 0.00 -0.26 0.00 0.00 57.72 56.15 2rq9 n HIS 138 Cb 0.00 -1.13 -0.02 0.00 1.12 0.00 0.00 29.99 29.95 2rq9 n HIS 138 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2rq9 s HIS 139 N -3.25 1.97 1.01 4.41 -3.43 -1.26 -5.13 115.29 109.61 2rq9 s HIS 139 Ca 0.73 -0.75 -0.16 0.00 -0.80 0.00 0.00 55.06 54.08 2rq9 s HIS 139 Cb -0.06 -1.96 0.21 0.00 -1.43 0.00 0.00 32.58 29.35 2rq9 s HIS 139 CO 0.55 -0.29 1.25 -3.38 -2.00 0.00 0.00 174.74 170.88 2rq9 s HIS 140 N -2.70 1.43 0.43 0.38 -3.43 -1.26 -5.09 115.29 105.05 2rq9 s HIS 140 Ca 0.37 0.41 0.06 0.00 -0.80 0.00 0.00 55.06 55.10 2rq9 s HIS 140 Cb -0.01 -3.89 -0.06 0.00 -1.43 0.00 0.00 32.58 27.19 2rq9 s HIS 140 CO 0.22 -2.91 0.07 -1.58 -2.00 0.00 0.00 174.74 168.55 2rq9 s HIS 141 N -3.62 2.40 0.66 0.38 2.46 -1.26 -5.15 115.29 111.17 2rq9 s HIS 141 Ca 0.72 -0.70 -0.04 0.00 0.47 0.00 0.00 55.06 55.51 2rq9 s HIS 141 Cb -0.06 -1.81 0.06 0.00 -0.13 0.00 0.00 32.58 30.63 2rq9 s HIS 141 CO 0.54 0.30 0.94 -1.01 -2.47 0.00 0.00 174.74 173.04 2rq9 s HIS 142 N -2.71 2.83 -1.40 3.88 3.76 -1.26 -5.24 115.29 115.16 2rq9 s HIS 142 Ca 0.32 0.27 0.00 0.00 -0.15 0.00 0.00 55.06 55.50 2rq9 s HIS 142 Cb 0.06 -3.06 0.00 0.00 1.11 0.00 0.00 32.58 30.69 2rq9 s HIS 142 CO 0.17 -1.27 0.35 -2.39 -0.85 0.00 0.00 174.74 170.75