#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 -7.72 -2.41 7.83 3.02 -1.26 -4.84 115.26 109.87 2rq9 n ASN 2 Ca 0.00 0.96 -0.00 0.00 -0.03 0.00 0.00 54.58 55.51 2rq9 n ASN 2 Cb 0.00 -4.40 0.05 0.00 -0.61 0.00 0.00 39.78 34.82 2rq9 n ASN 2 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2rq9 n TYR 3 N -4.08 0.15 0.00 3.10 4.01 -1.26 -4.97 117.16 114.12 2rq9 n TYR 3 Ca -0.04 -1.62 0.00 0.00 -0.16 0.00 0.00 57.90 56.08 2rq9 n TYR 3 Cb 0.66 0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.96 2rq9 n TYR 3 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2rq9 n LYS 4 N -0.58 0.00 -1.17 -0.72 5.02 -1.26 -5.15 118.16 114.29 2rq9 n LYS 4 Ca -0.02 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.39 2rq9 n LYS 4 Cb 0.87 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.82 2rq9 n LYS 4 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2rq9 n LYS 5 N -1.60 -2.79 -1.57 1.97 5.02 -1.26 -4.90 118.16 113.04 2rq9 n LYS 5 Ca 0.00 2.26 -0.31 0.00 -2.02 0.00 0.00 58.31 58.25 2rq9 n LYS 5 Cb 0.00 -3.15 0.06 0.00 -0.02 0.00 0.00 35.03 31.93 2rq9 n LYS 5 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2rq9 s PRO 6 N -4.24 2.68 0.24 1.97 0.04 -1.26 -4.78 135.00 129.65 2rq9 s PRO 6 Ca 0.00 0.86 -0.01 0.00 0.04 0.00 0.00 61.00 61.88 2rq9 s PRO 6 Cb 0.00 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 2rq9 s PRO 6 CO 0.00 -1.26 0.24 -1.59 0.04 0.00 0.00 177.00 174.43 2rq9 s LYS 7 N -5.08 1.41 0.05 4.56 0.00 -1.00 -3.09 119.74 116.59 2rq9 s LYS 7 Ca 0.59 -1.65 0.07 0.00 0.00 0.00 0.00 55.97 54.97 2rq9 s LYS 7 Cb -0.14 0.33 -0.03 0.00 0.00 0.00 0.00 37.83 37.98 2rq9 s LYS 7 CO 0.55 -0.51 -0.16 -0.51 0.00 0.00 0.00 175.35 174.72 2rq9 s LEU 8 N -3.18 2.74 -0.53 2.77 1.43 0.13 -3.60 118.68 118.44 2rq9 s LEU 8 Ca 0.36 -0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 52.86 2rq9 s LEU 8 Cb 0.04 -1.60 0.06 0.00 0.03 0.00 0.00 46.19 44.72 2rq9 s LEU 8 CO 0.15 0.24 0.73 -0.76 0.23 0.00 0.00 176.35 176.95 2rq9 s LEU 9 N -1.61 4.72 -0.38 1.79 2.01 -1.26 -0.60 118.68 123.35 2rq9 s LEU 9 Ca 0.16 -0.79 -0.25 0.00 0.01 0.00 0.00 54.13 53.26 2rq9 s LEU 9 Cb -0.11 -2.54 0.02 0.00 0.01 0.00 0.00 46.19 43.57 2rq9 s LEU 9 CO 0.07 -1.03 0.90 -0.47 1.01 0.00 0.00 176.35 176.84 2rq9 s TYR 10 N 3.07 3.06 -1.25 0.29 5.04 0.39 -3.50 117.35 124.45 2rq9 s TYR 10 Ca 0.19 0.68 -0.12 0.00 -2.44 0.00 0.00 57.07 55.38 2rq9 s TYR 10 Cb -0.18 -3.65 0.16 0.00 0.35 0.00 0.00 41.96 38.64 2rq9 s TYR 10 CO 0.13 -0.85 1.64 0.00 -1.34 0.00 0.00 175.55 175.14 2rq9 n SER 12 N 5.19 0.14 -0.31 0.00 3.41 -1.26 0.21 113.62 120.99 2rq9 n SER 12 Ca 0.39 1.04 -0.01 0.00 -0.26 0.00 0.00 58.87 60.03 2rq9 n SER 12 Cb 0.40 -0.51 0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2rq9 n SER 12 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2rq9 h ASN 13 N 0.00 -1.16 0.00 4.04 -1.24 -1.54 -3.31 115.58 112.37 2rq9 h ASN 13 Ca 0.70 0.27 0.00 0.00 0.71 0.00 0.00 56.30 57.98 2rq9 h ASN 13 Cb 2.36 0.64 0.00 0.00 0.73 0.00 0.00 38.32 42.05 2rq9 h ASN 13 CO -0.31 -0.29 -0.97 0.61 -1.29 0.00 0.00 177.43 175.19 2rq9 n GLY 14 N -1.49 0.00 0.20 1.57 0.00 0.35 -4.97 105.19 100.85 2rq9 n GLY 14 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 3.23 0.61 3.32 -0.02 0.00 0.55 -5.03 105.19 107.86 2rq9 n GLY 15 Ca 0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.33 0.01 -0.05 1.61 3.76 -1.26 -4.55 115.29 113.49 2rq9 s HIS 16 Ca 0.00 -0.37 -0.01 0.00 -0.15 0.00 0.00 55.06 54.52 2rq9 s HIS 16 Cb 0.00 0.14 -0.04 0.00 1.11 0.00 0.00 32.58 33.79 2rq9 s HIS 16 CO 0.00 -0.70 0.04 -0.06 -0.85 0.00 0.00 174.74 173.17 2rq9 s PHE 17 N -3.86 3.23 -0.07 1.40 0.08 0.44 -1.97 117.98 117.24 2rq9 s PHE 17 Ca 0.07 0.21 -0.30 0.00 0.12 0.00 0.00 56.93 57.04 2rq9 s PHE 17 Cb 0.02 -1.77 -0.02 0.00 -0.57 0.00 0.00 43.02 40.69 2rq9 s PHE 17 CO -0.08 0.52 1.09 -1.17 -0.10 0.00 0.00 175.22 175.48 2rq9 s LEU 18 N -1.31 4.28 0.13 -0.37 2.96 -1.23 0.66 118.68 123.80 2rq9 s LEU 18 Ca 0.18 1.68 0.07 0.00 -0.22 0.00 0.00 54.13 55.84 2rq9 s LEU 18 Cb -0.12 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 2rq9 s LEU 18 CO 0.08 -0.48 -0.18 0.00 -1.32 0.00 0.00 176.35 174.45 2rq9 s ARG 19 N 1.93 1.13 -0.16 1.98 1.70 -0.51 -4.54 118.95 120.49 2rq9 s ARG 19 Ca 0.52 -1.26 0.00 0.00 -0.47 0.00 0.00 55.73 54.53 2rq9 s ARG 19 Cb -0.22 -1.20 0.03 0.00 -0.57 0.00 0.00 34.95 32.99 2rq9 s ARG 19 CO 0.21 0.25 -0.13 0.42 -1.08 0.00 0.00 175.30 174.98 2rq9 s ILE 20 N -1.74 1.56 0.55 4.99 1.01 -1.14 -2.66 121.20 123.76 2rq9 s ILE 20 Ca 0.10 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 59.91 2rq9 s ILE 20 Cb -0.07 -1.51 -0.06 0.00 0.01 0.00 0.00 42.46 40.83 2rq9 s ILE 20 CO 0.05 0.38 0.98 -0.76 0.00 0.00 0.00 174.94 175.59 2rq9 s LEU 21 N 1.48 3.48 0.00 2.97 1.43 0.54 -4.81 118.68 123.76 2rq9 s LEU 21 Ca 0.04 1.45 0.23 0.00 -1.03 0.00 0.00 54.13 54.81 2rq9 s LEU 21 Cb -0.14 -4.43 1.23 0.00 0.03 0.00 0.00 46.19 42.88 2rq9 s LEU 21 CO -0.10 -0.69 1.76 -0.81 0.23 0.00 0.00 176.35 176.74 2rq9 n PRO 22 N -2.07 0.44 0.07 1.29 -0.04 -1.26 -2.09 135.00 131.35 2rq9 n PRO 22 Ca 0.06 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 2rq9 n PRO 22 Cb 0.54 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.21 0.72 0.00 3.54 2.03 -1.26 -4.95 116.55 115.42 2rq9 n ASP 23 Ca 0.13 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.62 2rq9 n ASP 23 Cb 0.16 0.57 0.00 0.00 -0.72 0.00 0.00 41.12 41.13 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 1.25 0.97 3.37 0.27 0.00 -0.89 -5.00 105.19 105.16 2rq9 n GLY 24 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.89 2.21 -0.12 2.61 2.01 -1.24 -4.04 115.64 115.18 2rq9 s THR 25 Ca 0.00 -1.58 -0.01 0.00 0.31 0.00 0.00 61.69 60.41 2rq9 s THR 25 Cb 0.00 -1.92 0.03 0.00 0.01 0.00 0.00 72.50 70.62 2rq9 s THR 25 CO 0.00 0.23 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.43 2rq9 s VAL 26 N -0.94 0.75 0.13 3.82 1.01 -1.26 -0.34 120.40 123.57 2rq9 s VAL 26 Ca 0.13 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 2rq9 s VAL 26 Cb -0.10 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 2rq9 s VAL 26 CO 0.04 0.22 0.26 -1.81 0.00 0.00 0.00 175.10 173.81 2rq9 s ASP 27 N 1.81 0.04 0.20 3.32 1.01 -1.09 -4.32 116.67 117.65 2rq9 s ASP 27 Ca 0.04 -0.72 -0.12 0.00 0.71 0.00 0.00 52.55 52.46 2rq9 s ASP 27 Cb -0.13 0.40 -0.07 0.00 1.01 0.00 0.00 42.92 44.13 2rq9 s ASP 27 CO -0.07 -0.83 0.55 -0.83 0.21 0.00 0.00 175.17 174.21 2rq9 s GLY 28 N -2.91 2.35 -0.20 0.21 0.00 0.34 -1.42 107.32 105.69 2rq9 s GLY 28 Ca 0.11 -0.21 -0.16 0.00 0.00 0.00 0.00 44.72 44.46 2rq9 s GLY 28 CO -0.06 -0.02 0.51 -1.08 0.00 0.00 0.00 173.10 172.46 2rq9 s THR 29 N -1.69 -0.00 -0.72 0.90 -1.32 0.21 -4.72 115.64 108.29 2rq9 s THR 29 Ca 0.44 0.02 0.02 0.00 -1.21 0.00 0.00 61.69 60.95 2rq9 s THR 29 Cb -0.13 -0.72 0.36 0.00 -1.51 0.00 0.00 72.50 70.51 2rq9 s THR 29 CO 0.20 0.01 1.52 -1.14 -2.21 0.00 0.00 174.62 173.00 2rq9 n ARG 30 N 3.23 3.60 -3.52 7.08 0.63 -1.26 0.17 116.66 126.58 2rq9 n ARG 30 Ca -0.16 -4.29 -0.28 0.00 -0.92 0.00 0.00 57.85 52.19 2rq9 n ARG 30 Cb 0.56 -2.30 -0.12 0.00 0.45 0.00 0.00 32.46 31.06 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 -2.28 2.75 0.51 6.15 2.15 -1.26 -4.97 116.67 119.71 2rq9 s ASP 31 Ca 0.48 -2.64 0.42 0.00 0.43 0.00 0.00 52.55 51.24 2rq9 s ASP 31 Cb 0.35 -0.61 1.63 0.00 -0.30 0.00 0.00 42.92 43.99 2rq9 s ASP 31 CO -0.24 -0.25 1.58 0.03 -0.17 0.00 0.00 175.17 176.12 2rq9 h ARG 32 N 6.45 0.00 -0.91 4.34 -0.00 -2.03 0.40 114.38 122.63 2rq9 h ARG 32 Ca 0.11 -0.00 0.17 0.00 -0.50 0.00 0.00 59.98 59.76 2rq9 h ARG 32 Cb 0.93 -0.00 -0.17 0.00 0.00 0.00 0.00 29.97 30.73 2rq9 h ARG 32 CO 0.37 0.00 -0.28 1.03 0.00 0.00 0.00 179.97 181.09 2rq9 h SER 33 N 0.00 -1.04 -2.92 7.04 0.87 -2.00 -3.40 113.55 112.11 2rq9 h SER 33 Ca 0.91 0.28 -0.58 0.00 -1.23 0.00 0.00 61.79 61.17 2rq9 h SER 33 Cb 3.35 0.62 0.17 0.00 -0.44 0.00 0.00 62.40 66.09 2rq9 h SER 33 CO -0.22 -0.30 -0.37 -0.67 -0.53 0.00 0.00 176.83 174.73 2rq9 n ASP 34 N -5.54 -0.94 -0.00 6.23 -0.08 0.14 -4.91 116.55 111.44 2rq9 n ASP 34 Ca 0.12 0.76 0.02 0.00 -1.51 0.00 0.00 54.79 54.19 2rq9 n ASP 34 Cb 0.44 -1.17 -0.03 0.00 2.34 0.00 0.00 41.12 42.69 2rq9 n ASP 34 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2rq9 n GLN 35 N 0.00 3.78 0.09 -0.67 6.02 -1.26 -4.46 117.38 120.88 2rq9 n GLN 35 Ca 0.12 -0.01 0.12 0.00 -0.01 0.00 0.00 57.00 57.22 2rq9 n GLN 35 Cb 0.47 -0.85 0.45 0.00 1.02 0.00 0.00 30.24 31.33 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 -1.29 0.69 0.10 1.08 8.25 -1.26 -2.62 115.22 120.17 2rq9 n HIS 36 Ca 0.00 0.22 -0.04 0.00 -0.26 0.00 0.00 57.72 57.64 2rq9 n HIS 36 Cb 0.10 -0.86 0.01 0.00 1.12 0.00 0.00 29.99 30.36 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 1.57 -0.27 1.59 3.07 -1.80 -3.00 117.51 118.68 2rq9 h ILE 37 Ca 0.00 -2.82 -0.07 0.00 1.55 0.00 0.00 64.86 63.52 2rq9 h ILE 37 Cb 0.57 2.53 -0.02 0.00 -0.27 0.00 0.00 36.82 39.63 2rq9 h ILE 37 CO 0.00 0.80 0.41 0.00 -1.05 0.00 0.00 178.15 178.31 2rq9 n GLN 38 N -3.54 0.44 -3.75 0.16 6.02 -1.08 -4.72 117.38 110.91 2rq9 n GLN 38 Ca -0.00 -0.70 -0.35 0.00 -0.01 0.00 0.00 57.00 55.94 2rq9 n GLN 38 Cb 0.79 -3.17 -0.05 0.00 1.02 0.00 0.00 30.24 28.83 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 11.99 4.37 -0.32 1.08 1.43 -1.24 -2.60 118.68 133.40 2rq9 s LEU 39 Ca 1.00 0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 54.59 2rq9 s LEU 39 Cb -0.27 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.27 2rq9 s LEU 39 CO 0.18 0.25 0.14 -1.10 0.23 0.00 0.00 176.35 176.05 2rq9 s GLN 40 N -1.75 3.15 -0.06 1.70 -1.52 0.15 -2.37 119.66 118.96 2rq9 s GLN 40 Ca 0.28 -0.84 -0.16 0.00 -1.95 0.00 0.00 55.36 52.69 2rq9 s GLN 40 Cb -0.13 -3.53 -0.05 0.00 -0.22 0.00 0.00 33.01 29.08 2rq9 s GLN 40 CO 0.16 -0.48 0.41 -0.51 -0.25 0.00 0.00 175.29 174.62 2rq9 s LEU 41 N 1.56 4.38 0.12 2.90 1.02 -1.26 -1.86 118.68 125.54 2rq9 s LEU 41 Ca 0.03 0.85 0.02 0.00 0.02 0.00 0.00 54.13 55.05 2rq9 s LEU 41 Cb -0.18 -2.59 -0.04 0.00 0.02 0.00 0.00 46.19 43.40 2rq9 s LEU 41 CO 0.05 0.19 -0.05 -0.94 0.02 0.00 0.00 176.35 175.61 2rq9 s SER 42 N -0.29 1.20 -0.09 2.29 1.04 -0.05 -4.94 113.70 112.86 2rq9 s SER 42 Ca 0.23 -1.04 0.03 0.00 0.48 0.00 0.00 55.95 55.65 2rq9 s SER 42 Cb -0.16 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.06 2rq9 s SER 42 CO 0.11 -0.48 -0.19 0.00 0.98 0.00 0.00 173.24 173.66 2rq9 s ALA 43 N -3.61 1.85 -0.07 5.32 0.00 -1.26 0.14 121.76 124.12 2rq9 s ALA 43 Ca 0.15 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.28 2rq9 s ALA 43 Cb 0.05 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 2rq9 s ALA 43 CO -0.02 0.18 -0.12 0.39 0.00 0.00 0.00 175.76 176.19 2rq9 n GLU 44 N 3.70 0.19 -4.44 0.00 1.02 -1.19 -5.01 120.64 114.91 2rq9 n GLU 44 Ca -0.20 0.08 -0.22 0.00 -0.02 0.00 0.00 57.16 56.80 2rq9 n GLU 44 Cb 0.52 -0.82 -0.10 0.00 -0.02 0.00 0.00 31.44 31.02 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 -5.86 3.06 -0.10 1.62 0.01 -1.26 -5.04 113.70 106.15 2rq9 s SER 45 Ca -0.12 -1.14 -0.29 0.00 1.31 0.00 0.00 55.95 55.71 2rq9 s SER 45 Cb 0.04 -0.22 -0.06 0.00 0.21 0.00 0.00 66.02 65.99 2rq9 s SER 45 CO 0.16 -0.22 1.99 0.54 0.41 0.00 0.00 173.24 176.12 2rq9 s VAL 46 N -2.84 3.14 0.00 3.43 0.11 -1.26 -0.36 120.40 122.62 2rq9 s VAL 46 Ca 0.29 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 2rq9 s VAL 46 Cb 0.01 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.73 2rq9 s VAL 46 CO 0.12 -0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 2rq9 n GLY 47 N 4.99 0.53 3.03 6.54 0.00 -1.26 -5.05 105.19 113.97 2rq9 n GLY 47 Ca 0.23 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.38 1.67 0.04 1.61 2.02 0.51 -2.84 118.70 120.34 2rq9 s GLU 48 Ca 0.00 -0.42 0.02 0.00 0.02 0.00 0.00 54.97 54.59 2rq9 s GLU 48 Cb 0.00 -1.39 -0.02 0.00 0.10 0.00 0.00 34.13 32.81 2rq9 s GLU 48 CO 0.00 0.05 -0.08 0.14 0.02 0.00 0.00 175.26 175.39 2rq9 s VAL 49 N 0.59 0.54 -0.07 2.63 -7.23 -0.34 -3.17 120.40 113.34 2rq9 s VAL 49 Ca -0.13 -1.08 0.05 0.00 -1.81 0.00 0.00 61.98 59.00 2rq9 s VAL 49 Cb -0.15 -0.61 -0.01 0.00 0.56 0.00 0.00 36.38 36.17 2rq9 s VAL 49 CO 0.03 -0.39 -0.22 -0.31 -0.31 0.00 0.00 175.10 173.90 2rq9 s TYR 50 N -1.39 2.53 -0.33 2.82 2.02 0.12 -2.22 117.35 120.90 2rq9 s TYR 50 Ca -0.10 -0.73 -0.02 0.00 -0.37 0.00 0.00 57.07 55.85 2rq9 s TYR 50 Cb -0.10 -1.65 0.06 0.00 -0.40 0.00 0.00 41.96 39.87 2rq9 s TYR 50 CO 0.00 -0.22 0.05 0.42 -1.57 0.00 0.00 175.55 174.23 2rq9 s ILE 51 N -0.05 3.04 0.16 2.71 1.01 -1.26 -0.87 121.20 125.93 2rq9 s ILE 51 Ca -0.06 -1.57 0.11 0.00 0.00 0.00 0.00 60.65 59.13 2rq9 s ILE 51 Cb -0.15 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 2rq9 s ILE 51 CO 0.05 -0.26 -0.23 -0.54 0.00 0.00 0.00 174.94 173.96 2rq9 s LYS 52 N 1.22 1.55 -0.08 2.79 1.02 -0.78 -0.91 119.74 124.55 2rq9 s LYS 52 Ca -0.01 -1.40 -0.22 0.00 0.02 0.00 0.00 55.97 54.35 2rq9 s LYS 52 Cb -0.20 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 2rq9 s LYS 52 CO -0.02 0.43 0.63 0.45 -0.92 0.00 0.00 175.35 175.93 2rq9 s SER 53 N -2.40 6.90 -0.02 2.83 0.15 -1.10 0.34 113.70 120.40 2rq9 s SER 53 Ca 0.18 1.08 0.12 0.00 0.70 0.00 0.00 55.95 58.03 2rq9 s SER 53 Cb -0.09 -2.38 0.38 0.00 -1.71 0.00 0.00 66.02 62.22 2rq9 s SER 53 CO 0.09 -0.08 1.28 0.35 1.20 0.00 0.00 173.24 176.08 2rq9 n THR 54 N 3.73 0.73 -0.05 6.45 -2.24 -1.07 -3.10 114.28 118.73 2rq9 n THR 54 Ca -0.03 -0.59 -0.06 0.00 -2.27 0.00 0.00 64.05 61.10 2rq9 n THR 54 Cb 0.51 0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.64 0.36 -0.04 -0.78 4.07 -1.26 -4.86 120.64 118.77 2rq9 n GLU 55 Ca 0.14 0.14 -0.03 0.00 -0.06 0.00 0.00 57.16 57.35 2rq9 n GLU 55 Cb 0.42 -1.11 -0.01 0.00 -0.06 0.00 0.00 31.44 30.68 2rq9 n GLU 55 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2rq9 n THR 56 N -4.03 0.81 0.00 6.31 -2.24 -1.26 -5.05 114.28 108.81 2rq9 n THR 56 Ca -0.09 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 2rq9 n THR 56 Cb 0.35 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 66.58 2rq9 n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rq9 n GLY 57 N 1.64 0.71 3.37 3.38 0.00 -1.18 -5.07 105.19 108.05 2rq9 n GLY 57 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 2.68 0.18 1.61 -0.21 -1.26 -4.92 119.66 117.73 2rq9 s GLN 58 Ca 0.00 -0.78 -0.30 0.00 0.02 0.00 0.00 55.36 54.30 2rq9 s GLN 58 Cb 0.00 -2.34 -0.07 0.00 1.00 0.00 0.00 33.01 31.60 2rq9 s GLN 58 CO 0.00 0.45 1.05 0.71 -2.12 0.00 0.00 175.29 175.38 2rq9 s TYR 59 N -0.30 3.69 -0.38 0.91 2.02 -0.53 -2.73 117.35 120.03 2rq9 s TYR 59 Ca 0.02 1.69 -0.29 0.00 -0.37 0.00 0.00 57.07 58.12 2rq9 s TYR 59 Cb -0.13 -3.19 0.01 0.00 -0.40 0.00 0.00 41.96 38.26 2rq9 s TYR 59 CO 0.03 -0.29 1.23 -1.17 -1.57 0.00 0.00 175.55 173.78 2rq9 s LEU 60 N -0.46 3.76 0.05 -1.29 2.96 -0.09 -0.30 118.68 123.31 2rq9 s LEU 60 Ca 0.47 0.88 0.01 0.00 -0.22 0.00 0.00 54.13 55.27 2rq9 s LEU 60 Cb -0.28 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.84 2rq9 s LEU 60 CO 0.34 -1.16 -0.05 0.00 -1.32 0.00 0.00 176.35 174.16 2rq9 s ALA 61 N 4.46 0.52 0.00 5.97 0.00 -1.03 -4.25 121.76 127.43 2rq9 s ALA 61 Ca 0.53 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 2rq9 s ALA 61 Cb -0.12 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2rq9 s ALA 61 CO 0.26 -0.18 0.10 1.41 0.00 0.00 0.00 175.76 177.35 2rq9 s MET 62 N -2.52 3.14 0.35 0.00 1.75 -1.26 0.13 119.30 120.88 2rq9 s MET 62 Ca -0.03 -0.46 0.04 0.00 -1.25 0.00 0.00 55.69 53.98 2rq9 s MET 62 Cb -0.03 -2.90 -0.02 0.00 2.84 0.00 0.00 34.83 34.72 2rq9 s MET 62 CO -0.03 0.65 0.51 0.16 -0.65 0.00 0.00 175.02 175.65 2rq9 s ASP 63 N -1.83 6.06 0.47 1.11 1.47 0.36 -4.92 116.67 119.39 2rq9 s ASP 63 Ca 0.24 0.09 0.24 0.00 1.18 0.00 0.00 52.55 54.30 2rq9 s ASP 63 Cb -0.12 -1.57 1.27 0.00 -0.34 0.00 0.00 42.92 42.16 2rq9 s ASP 63 CO 0.16 -0.40 1.84 0.71 0.68 0.00 0.00 175.17 178.16 2rq9 h THR 64 N 0.81 0.58 0.00 2.11 1.35 -2.00 1.45 112.91 117.21 2rq9 h THR 64 Ca -0.48 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2rq9 h THR 64 Cb 1.24 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 2rq9 h THR 64 CO 0.57 0.04 0.00 0.44 -0.25 0.00 0.00 175.52 176.32 2rq9 h ASP 65 N 0.23 0.00 0.00 5.36 5.19 -2.04 -3.45 116.42 121.70 2rq9 h ASP 65 Ca 0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.90 2rq9 h ASP 65 Cb 1.53 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.04 2rq9 h ASP 65 CO -0.13 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.60 2rq9 n GLY 66 N -1.02 0.82 3.86 2.75 0.00 0.50 -4.59 105.19 107.50 2rq9 n GLY 66 Ca -0.02 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 3.82 -0.03 0.99 2.01 -1.22 0.49 118.68 124.75 2rq9 s LEU 67 Ca 0.00 -0.27 -0.08 0.00 0.01 0.00 0.00 54.13 53.78 2rq9 s LEU 67 Cb 0.00 -2.39 -0.05 0.00 0.01 0.00 0.00 46.19 43.76 2rq9 s LEU 67 CO 0.00 -0.14 0.26 -0.76 1.01 0.00 0.00 176.35 176.72 2rq9 s LEU 68 N -3.91 4.39 0.05 1.79 1.43 -1.26 0.14 118.68 121.30 2rq9 s LEU 68 Ca 0.36 0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 53.96 2rq9 s LEU 68 Cb -0.08 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.67 2rq9 s LEU 68 CO 0.26 0.31 0.23 -0.72 0.23 0.00 0.00 176.35 176.66 2rq9 s TYR 69 N -1.18 0.01 -0.40 0.29 -0.85 0.12 -4.15 117.35 111.18 2rq9 s TYR 69 Ca 0.23 -0.23 -0.29 0.00 -0.52 0.00 0.00 57.07 56.27 2rq9 s TYR 69 Cb -0.13 0.01 0.01 0.00 0.38 0.00 0.00 41.96 42.23 2rq9 s TYR 69 CO 0.12 -0.47 1.30 0.20 -1.52 0.00 0.00 175.55 175.18 2rq9 s GLY 70 N -2.16 1.24 -0.11 5.49 0.00 -1.26 -2.46 107.32 108.06 2rq9 s GLY 70 Ca -0.04 -0.18 -0.24 0.00 0.00 0.00 0.00 44.72 44.26 2rq9 s GLY 70 CO -0.05 2.61 0.75 -0.56 0.00 0.00 0.00 173.10 175.85 2rq9 s SER 71 N 3.16 6.96 0.07 1.64 0.01 0.59 -4.85 113.70 121.27 2rq9 s SER 71 Ca 0.56 1.16 -0.29 0.00 1.31 0.00 0.00 55.95 58.69 2rq9 s SER 71 Cb -0.12 -2.43 -0.18 0.00 0.21 0.00 0.00 66.02 63.51 2rq9 s SER 71 CO 0.29 -0.23 1.60 -0.61 0.41 0.00 0.00 173.24 174.70 2rq9 h GLN 72 N 7.03 -0.56 -6.17 12.44 4.15 -1.92 -1.39 115.11 128.68 2rq9 h GLN 72 Ca -0.36 0.04 -0.54 0.00 0.77 0.00 0.00 58.65 58.55 2rq9 h GLN 72 Cb 1.17 0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.93 2rq9 h GLN 72 CO 0.78 -0.35 -0.53 0.95 -1.93 0.00 0.00 178.83 177.75 2rq9 s THR 73 N -5.89 4.64 -0.25 2.39 -4.23 -1.26 -4.73 115.64 106.32 2rq9 s THR 73 Ca -0.16 -1.10 -0.29 0.00 -1.18 0.00 0.00 61.69 58.96 2rq9 s THR 73 Cb 0.04 -3.42 -0.01 0.00 1.34 0.00 0.00 72.50 70.46 2rq9 s THR 73 CO 0.62 -0.18 1.32 -2.16 -0.54 0.00 0.00 174.62 173.68 2rq9 s PRO 74 N -3.35 4.00 0.17 3.99 0.04 -1.26 -4.83 135.00 133.76 2rq9 s PRO 74 Ca 0.32 1.41 0.08 0.00 0.04 0.00 0.00 61.00 62.85 2rq9 s PRO 74 Cb -0.10 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.54 2rq9 s PRO 74 CO 0.25 -1.02 -0.17 -0.80 0.04 0.00 0.00 177.00 175.30 2rq9 s ASN 75 N 2.69 2.62 0.60 6.66 0.01 -1.26 -5.00 114.94 121.26 2rq9 s ASN 75 Ca 0.57 -0.90 0.29 0.00 -0.71 0.00 0.00 52.86 52.11 2rq9 s ASN 75 Cb -0.19 -0.15 1.32 0.00 0.41 0.00 0.00 41.25 42.64 2rq9 s ASN 75 CO 0.21 -0.07 1.71 -0.08 -1.51 0.00 0.00 177.10 177.36 2rq9 h GLU 76 N 3.09 0.00 0.00 -0.60 4.81 -1.94 1.52 114.58 121.46 2rq9 h GLU 76 Ca -0.41 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.78 2rq9 h GLU 76 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2rq9 h GLU 76 CO 0.54 0.00 -0.18 0.93 -0.73 0.00 0.00 179.01 179.57 2rq9 h GLU 77 N 0.00 0.00 0.00 1.92 5.08 -1.95 0.57 114.58 120.20 2rq9 h GLU 77 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2rq9 h GLU 77 Cb 1.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.03 2rq9 h GLU 77 CO -0.00 0.18 0.00 0.00 -1.00 0.00 0.00 179.01 178.19 2rq9 s LEU 79 N -5.24 4.11 0.34 0.00 2.96 0.19 -4.31 118.68 116.74 2rq9 s LEU 79 Ca 0.08 0.57 0.09 0.00 -0.22 0.00 0.00 54.13 54.65 2rq9 s LEU 79 Cb 0.09 -2.98 -0.06 0.00 0.50 0.00 0.00 46.19 43.74 2rq9 s LEU 79 CO 0.58 -0.57 0.01 -0.36 -1.32 0.00 0.00 176.35 174.69 2rq9 s PHE 80 N 2.83 2.53 -0.18 5.38 0.40 -0.94 -2.30 117.98 125.71 2rq9 s PHE 80 Ca 0.30 -0.45 -0.08 0.00 -0.60 0.00 0.00 56.93 56.10 2rq9 s PHE 80 Cb -0.14 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 2rq9 s PHE 80 CO 0.12 0.48 0.07 -0.51 0.70 0.00 0.00 175.22 176.08 2rq9 s LEU 81 N -3.71 3.84 0.09 -0.37 1.43 0.54 -1.20 118.68 119.30 2rq9 s LEU 81 Ca 0.35 0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.59 2rq9 s LEU 81 Cb 0.01 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2rq9 s LEU 81 CO 0.19 0.18 0.00 -0.70 0.23 0.00 0.00 176.35 176.25 2rq9 s GLU 82 N 0.36 2.56 0.01 1.70 -6.30 -1.13 -1.36 118.70 114.54 2rq9 s GLU 82 Ca 0.03 -0.84 -0.26 0.00 -2.50 0.00 0.00 54.97 51.41 2rq9 s GLU 82 Cb -0.12 -2.55 0.06 0.00 0.00 0.00 0.00 34.13 31.52 2rq9 s GLU 82 CO -0.00 0.54 0.58 0.50 0.02 0.00 0.00 175.26 176.90 2rq9 s ARG 83 N -2.33 1.04 -0.17 4.30 3.00 -1.04 -4.77 118.95 118.98 2rq9 s ARG 83 Ca 0.26 -0.03 -0.14 0.00 -1.00 0.00 0.00 55.73 54.82 2rq9 s ARG 83 Cb -0.12 0.48 -0.04 0.00 0.00 0.00 0.00 34.95 35.27 2rq9 s ARG 83 CO 0.19 -0.36 0.32 -1.17 0.00 0.00 0.00 175.30 174.27 2rq9 s LEU 84 N -1.65 4.22 0.26 -0.88 1.98 -1.26 -2.16 118.68 119.18 2rq9 s LEU 84 Ca -0.08 0.51 0.03 0.00 -2.89 0.00 0.00 54.13 51.70 2rq9 s LEU 84 Cb -0.01 -2.41 -0.03 0.00 0.66 0.00 0.00 46.19 44.40 2rq9 s LEU 84 CO 0.03 0.06 0.40 -1.61 -1.89 0.00 0.00 176.35 173.34 2rq9 s GLU 85 N 0.67 3.46 -0.99 1.98 0.41 -1.09 -5.00 118.70 118.15 2rq9 s GLU 85 Ca 0.17 -0.61 -0.24 0.00 -0.41 0.00 0.00 54.97 53.89 2rq9 s GLU 85 Cb -0.13 -2.84 -0.03 0.00 -1.78 0.00 0.00 34.13 29.35 2rq9 s GLU 85 CO 0.05 0.37 1.83 -2.00 -0.49 0.00 0.00 175.26 175.01 2rq9 s GLU 86 N -3.95 2.83 0.00 1.61 -6.30 -1.26 -4.03 118.70 107.61 2rq9 s GLU 86 Ca 0.36 -0.67 0.00 0.00 -2.50 0.00 0.00 54.97 52.16 2rq9 s GLU 86 Cb -0.09 -5.17 0.00 0.00 0.00 0.00 0.00 34.13 28.86 2rq9 s GLU 86 CO 0.31 -3.16 0.00 0.09 0.02 0.00 0.00 175.26 172.52 2rq9 n ASN 87 N 12.69 0.00 0.00 -1.70 4.13 -1.26 -5.00 115.26 124.12 2rq9 n ASN 87 Ca 0.40 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.66 2rq9 n ASN 87 Cb 0.48 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.72 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 0.00 0.00 -4.23 3.10 -0.00 -1.26 -5.17 115.22 107.67 2rq9 n HIS 88 Ca 0.00 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.04 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 1.31 0.17 1.57 2.02 -1.26 -4.80 117.35 116.37 2rq9 s TYR 89 Ca 0.00 -1.42 0.08 0.00 -0.37 0.00 0.00 57.07 55.36 2rq9 s TYR 89 Cb 0.00 -0.62 -0.04 0.00 -0.40 0.00 0.00 41.96 40.90 2rq9 s TYR 89 CO 0.00 -0.66 -0.17 -0.80 -1.57 0.00 0.00 175.55 172.35 2rq9 s ASN 90 N -3.22 2.58 0.03 2.29 -0.87 0.22 -2.67 114.94 113.31 2rq9 s ASN 90 Ca 0.39 -0.91 0.06 0.00 -1.57 0.00 0.00 52.86 50.84 2rq9 s ASN 90 Cb 0.06 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.25 41.13 2rq9 s ASN 90 CO 0.15 -0.09 -0.18 0.42 -2.57 0.00 0.00 177.10 174.84 2rq9 s THR 91 N -2.35 1.42 -0.06 1.60 -4.23 -0.92 0.20 115.64 111.29 2rq9 s THR 91 Ca 0.17 -1.04 0.03 0.00 -1.18 0.00 0.00 61.69 59.67 2rq9 s THR 91 Cb -0.04 -1.24 0.00 0.00 1.34 0.00 0.00 72.50 72.57 2rq9 s THR 91 CO 0.06 0.17 -0.16 -0.31 -0.54 0.00 0.00 174.62 173.85 2rq9 s TYR 92 N -0.74 1.68 0.02 3.99 2.02 -1.25 -2.50 117.35 120.57 2rq9 s TYR 92 Ca 0.05 -0.57 0.02 0.00 -0.37 0.00 0.00 57.07 56.21 2rq9 s TYR 92 Cb -0.08 -1.17 -0.01 0.00 -0.40 0.00 0.00 41.96 40.30 2rq9 s TYR 92 CO 0.01 -0.24 -0.07 0.42 -1.57 0.00 0.00 175.55 174.10 2rq9 s ILE 93 N 0.33 0.53 0.27 2.71 1.01 -0.46 -2.88 121.20 122.71 2rq9 s ILE 93 Ca -0.10 -0.69 -0.29 0.00 0.00 0.00 0.00 60.65 59.57 2rq9 s ILE 93 Cb -0.14 -0.52 -0.09 0.00 0.01 0.00 0.00 42.46 41.71 2rq9 s ILE 93 CO 0.04 -0.13 1.19 -0.55 0.00 0.00 0.00 174.94 175.49 2rq9 s SER 94 N -0.89 7.07 -0.07 3.58 0.15 -1.24 0.20 113.70 122.50 2rq9 s SER 94 Ca -0.04 2.40 -0.27 0.00 0.70 0.00 0.00 55.95 58.74 2rq9 s SER 94 Cb -0.06 -2.63 -0.22 0.00 -1.71 0.00 0.00 66.02 61.39 2rq9 s SER 94 CO 0.00 -0.32 1.05 0.50 1.20 0.00 0.00 173.24 175.68 2rq9 h LYS 95 N 4.03 -0.01 0.00 5.44 1.63 -1.69 1.57 116.57 127.54 2rq9 h LYS 95 Ca -0.47 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 2rq9 h LYS 95 Cb 1.22 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 2rq9 h LYS 95 CO 0.68 0.68 0.05 -0.22 -3.45 0.00 0.00 179.45 177.20 2rq9 h LYS 96 N -0.71 0.00 0.00 1.90 3.64 -1.80 0.14 116.57 119.75 2rq9 h LYS 96 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2rq9 h LYS 96 Cb 0.69 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.45 2rq9 h LYS 96 CO 0.00 0.00 -0.42 0.72 -2.27 0.00 0.00 179.45 177.48 2rq9 n HIS 97 N -2.59 0.00 0.03 1.91 -0.00 -1.12 -4.83 115.22 108.62 2rq9 n HIS 97 Ca -0.02 -0.69 -0.10 0.00 -0.00 0.00 0.00 57.72 56.91 2rq9 n HIS 97 Cb 0.10 -0.14 -0.04 0.00 -0.00 0.00 0.00 29.99 29.92 2rq9 n HIS 97 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2rq9 h ALA 98 N 0.34 -0.18 0.00 -1.41 0.00 0.52 0.15 119.26 118.69 2rq9 h ALA 98 Ca -0.04 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2rq9 h ALA 98 Cb 1.28 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 2rq9 h ALA 98 CO 0.02 -0.66 -0.02 0.93 0.00 0.00 0.00 179.25 179.51 2rq9 h GLU 99 N -0.27 0.00 0.00 0.00 5.08 -1.82 0.34 114.58 117.91 2rq9 h GLU 99 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2rq9 h GLU 99 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2rq9 h GLU 99 CO -0.22 0.02 0.00 1.63 -1.00 0.00 0.00 179.01 179.44 2rq9 n LYS 100 N -3.75 0.12 -3.56 2.33 5.02 0.47 -4.92 118.16 113.88 2rq9 n LYS 100 Ca -0.03 0.26 -0.22 0.00 -2.02 0.00 0.00 58.31 56.30 2rq9 n LYS 100 Cb 0.11 -1.68 0.02 0.00 -0.02 0.00 0.00 35.03 33.46 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 -1.90 -5.82 -4.45 4.39 4.13 0.12 -4.82 115.26 106.92 2rq9 n ASN 101 Ca 0.04 -0.78 -0.33 0.00 1.68 0.00 0.00 54.58 55.19 2rq9 n ASN 101 Cb 0.27 -3.40 -0.13 0.00 -1.54 0.00 0.00 39.78 34.97 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 -3.23 2.91 0.09 3.10 0.51 -1.25 -4.69 118.94 116.39 2rq9 s TRP 102 Ca 0.24 -0.42 0.07 0.00 -2.12 0.00 0.00 56.10 53.87 2rq9 s TRP 102 Cb -0.09 -1.87 -0.04 0.00 -0.81 0.00 0.00 33.47 30.66 2rq9 s TRP 102 CO 0.84 -0.07 -0.11 -0.06 -0.51 0.00 0.00 176.95 177.04 2rq9 s PHE 103 N 0.22 2.73 0.00 -1.98 0.40 -1.23 -3.66 117.98 114.46 2rq9 s PHE 103 Ca -0.05 -0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.12 2rq9 s PHE 103 Cb -0.15 -1.44 0.00 0.00 0.51 0.00 0.00 43.02 41.94 2rq9 s PHE 103 CO 0.04 0.41 0.02 0.28 0.70 0.00 0.00 175.22 176.67 2rq9 n VAL 104 N 0.82 0.00 -0.96 -0.44 0.31 -1.14 -4.31 118.33 112.62 2rq9 n VAL 104 Ca -0.14 0.25 0.11 0.00 -0.01 0.00 0.00 64.34 64.55 2rq9 n VAL 104 Cb 0.52 -0.72 -0.03 0.00 -0.91 0.00 0.00 33.84 32.70 2rq9 n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2rq9 n GLY 105 N 1.55 -1.33 2.83 2.92 0.00 -1.26 -3.49 105.19 106.40 2rq9 n GLY 105 Ca 0.00 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 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 -5.06 1.29 0.00 0.99 1.43 -1.26 -2.82 118.68 113.25 2rq9 s LEU 106 Ca 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 2rq9 s LEU 106 Cb 0.00 -0.18 0.00 0.00 0.03 0.00 0.00 46.19 46.04 2rq9 s LEU 106 CO 0.00 -0.08 0.00 0.29 0.23 0.00 0.00 176.35 176.79 2rq9 n LYS 107 N 3.97 -0.46 0.03 1.70 5.02 0.56 -4.63 118.16 124.34 2rq9 n LYS 107 Ca -0.25 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.16 2rq9 n LYS 107 Cb 0.52 0.00 0.17 0.00 -0.02 0.00 0.00 35.03 35.69 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 -1.16 0.19 -0.09 1.97 4.81 -1.26 -3.47 118.16 119.14 2rq9 n LYS 108 Ca 0.00 0.04 0.07 0.00 -0.87 0.00 0.00 58.31 57.55 2rq9 n LYS 108 Cb 0.00 -1.60 0.27 0.00 0.02 0.00 0.00 35.03 33.72 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 -1.86 1.26 -0.86 3.14 3.02 -1.26 -4.86 115.26 113.84 2rq9 n ASN 109 Ca 0.04 -1.81 -0.08 0.00 -0.03 0.00 0.00 54.58 52.70 2rq9 n ASN 109 Cb 0.40 -0.12 -0.01 0.00 -0.61 0.00 0.00 39.78 39.44 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 0.96 0.14 3.45 7.41 0.00 -1.23 -4.95 105.19 110.98 2rq9 n GLY 110 Ca 0.12 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.67 3.35 0.25 1.61 0.01 -1.26 0.13 113.70 115.11 2rq9 s SER 111 Ca 0.00 -1.06 -0.30 0.00 1.31 0.00 0.00 55.95 55.91 2rq9 s SER 111 Cb 0.00 -0.26 -0.10 0.00 0.21 0.00 0.00 66.02 65.87 2rq9 s SER 111 CO 0.00 -0.05 1.37 0.00 0.41 0.00 0.00 173.24 174.97 2rq9 s LYS 113 N -0.63 4.27 0.17 0.00 2.20 -1.13 -4.62 119.74 120.00 2rq9 s LYS 113 Ca 0.56 0.61 -0.25 0.00 -0.36 0.00 0.00 55.97 56.53 2rq9 s LYS 113 Cb -0.40 -3.53 -0.15 0.00 -1.51 0.00 0.00 37.83 32.24 2rq9 s LYS 113 CO 0.44 -0.12 0.48 0.54 -0.36 0.00 0.00 175.35 176.33 2rq9 n ARG 114 N 4.60 0.00 0.25 4.03 3.00 -1.26 -4.73 116.66 122.55 2rq9 n ARG 114 Ca -0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.85 57.67 2rq9 n ARG 114 Cb 0.50 -0.90 -0.08 0.00 0.00 0.00 0.00 32.46 31.98 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 0.94 -0.66 -2.34 -0.13 0.00 -0.15 -2.84 103.07 97.89 2rq9 h GLY 115 Ca -0.26 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2rq9 h GLY 115 CO 0.51 -0.24 0.00 -1.55 0.00 0.00 0.00 176.54 175.26 2rq9 n PRO 116 N -5.28 0.75 -0.69 4.80 -0.04 -1.26 -2.35 135.00 130.94 2rq9 n PRO 116 Ca -0.11 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.36 2rq9 n PRO 116 Cb 0.30 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.90 0.00 -4.46 0.54 5.12 -1.07 -5.10 116.66 112.59 2rq9 n ARG 117 Ca 0.00 -1.10 -0.24 0.00 -1.93 0.00 0.00 57.85 54.57 2rq9 n ARG 117 Cb 0.38 -0.36 -0.10 0.00 -1.16 0.00 0.00 32.46 31.22 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 2.49 0.15 0.55 -4.23 -0.99 -4.86 115.64 108.74 2rq9 s THR 118 Ca 0.06 -2.35 -0.25 0.00 -1.18 0.00 0.00 61.69 57.97 2rq9 s THR 118 Cb 0.07 -2.29 0.06 0.00 1.34 0.00 0.00 72.50 71.68 2rq9 s THR 118 CO -0.03 -0.36 0.86 -1.00 -0.54 0.00 0.00 174.62 173.54 2rq9 s HIS 119 N -2.40 -0.23 0.14 3.99 3.76 -1.26 -4.86 115.29 114.43 2rq9 s HIS 119 Ca 0.29 -0.06 -0.30 0.00 -0.15 0.00 0.00 55.06 54.83 2rq9 s HIS 119 Cb -0.05 0.62 -0.08 0.00 1.11 0.00 0.00 32.58 34.18 2rq9 s HIS 119 CO 0.14 -0.86 1.27 0.71 -0.85 0.00 0.00 174.74 175.16 2rq9 s TYR 120 N -3.43 3.35 0.00 1.40 2.02 -1.26 -3.28 117.35 116.14 2rq9 s TYR 120 Ca 0.09 1.24 0.00 0.00 -0.37 0.00 0.00 57.07 58.03 2rq9 s TYR 120 Cb -0.02 -3.53 0.00 0.00 -0.40 0.00 0.00 41.96 38.01 2rq9 s TYR 120 CO -0.01 -1.66 0.00 0.41 -1.57 0.00 0.00 175.55 172.73 2rq9 n GLY 121 N 2.76 1.58 3.80 0.71 0.00 -1.26 -5.10 105.19 107.68 2rq9 n GLY 121 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 3.97 -0.22 1.61 -0.21 -1.20 -4.93 119.66 118.68 2rq9 s GLN 122 Ca 0.00 1.34 0.04 0.00 0.02 0.00 0.00 55.36 56.77 2rq9 s GLN 122 Cb 0.00 -2.21 0.43 0.00 1.00 0.00 0.00 33.01 32.23 2rq9 s GLN 122 CO 0.00 -0.28 1.44 1.17 -2.12 0.00 0.00 175.29 175.50 2rq9 n LYS 123 N -0.69 2.31 -0.08 2.91 4.81 -1.26 -4.11 118.16 122.05 2rq9 n LYS 123 Ca 0.08 -1.82 -0.10 0.00 -0.87 0.00 0.00 58.31 55.60 2rq9 n LYS 123 Cb 0.52 -1.79 -0.03 0.00 0.02 0.00 0.00 35.03 33.75 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 -0.18 1.12 -0.36 3.14 0.00 -1.26 -1.51 120.51 121.47 2rq9 n ALA 124 Ca 0.29 -0.76 0.26 0.00 0.00 0.00 0.00 53.44 53.22 2rq9 n ALA 124 Cb 1.07 0.06 0.52 0.00 0.00 0.00 0.00 19.45 21.10 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 -0.90 0.38 -2.27 0.00 3.07 -1.91 -3.38 117.51 112.51 2rq9 h ILE 125 Ca -0.06 -0.11 -0.57 0.00 1.55 0.00 0.00 64.86 65.67 2rq9 h ILE 125 Cb 0.96 0.02 0.00 0.00 -0.27 0.00 0.00 36.82 37.54 2rq9 h ILE 125 CO -0.04 0.06 1.34 -0.76 -1.05 0.00 0.00 178.15 177.71 2rq9 s LEU 126 N -9.86 3.84 -0.01 0.16 1.43 -1.26 -4.20 118.68 108.77 2rq9 s LEU 126 Ca -0.09 2.08 0.08 0.00 -1.03 0.00 0.00 54.13 55.17 2rq9 s LEU 126 Cb 0.28 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.95 2rq9 s LEU 126 CO 0.80 -1.55 -0.26 -0.36 0.23 0.00 0.00 176.35 175.21 2rq9 s PHE 127 N 6.52 2.33 -0.33 0.29 0.08 0.13 -4.07 117.98 122.93 2rq9 s PHE 127 Ca 0.91 -0.44 -0.03 0.00 0.12 0.00 0.00 56.93 57.49 2rq9 s PHE 127 Cb -0.34 -1.49 0.06 0.00 -0.57 0.00 0.00 43.02 40.68 2rq9 s PHE 127 CO 0.36 -0.03 0.06 -1.17 -0.10 0.00 0.00 175.22 174.35 2rq9 s LEU 128 N -0.67 4.25 -0.49 -0.37 0.20 -0.28 0.71 118.68 122.03 2rq9 s LEU 128 Ca 0.10 -1.39 -0.28 0.00 0.69 0.00 0.00 54.13 53.25 2rq9 s LEU 128 Cb -0.10 -1.77 0.01 0.00 -0.43 0.00 0.00 46.19 43.90 2rq9 s LEU 128 CO -0.01 -0.33 1.46 -2.16 -0.29 0.00 0.00 176.35 175.02 2rq9 s PRO 129 N 1.26 3.38 0.02 0.98 0.04 -1.25 -0.46 135.00 138.97 2rq9 s PRO 129 Ca -0.02 0.71 -0.04 0.00 0.04 0.00 0.00 61.00 61.69 2rq9 s PRO 129 Cb -0.20 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.19 2rq9 s PRO 129 CO -0.01 -1.83 0.23 -0.51 0.04 0.00 0.00 177.00 174.92 2rq9 s LEU 130 N 6.02 4.36 0.40 -3.56 1.43 0.23 -4.83 118.68 122.73 2rq9 s LEU 130 Ca 0.58 0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 53.87 2rq9 s LEU 130 Cb -0.13 -2.75 -0.09 0.00 0.03 0.00 0.00 46.19 43.26 2rq9 s LEU 130 CO 0.28 0.23 1.05 -2.16 0.23 0.00 0.00 176.35 175.98 2rq9 s PRO 131 N -2.03 4.14 0.16 1.29 0.04 -1.26 0.21 135.00 137.54 2rq9 s PRO 131 Ca 0.30 1.52 -0.09 0.00 0.04 0.00 0.00 61.00 62.77 2rq9 s PRO 131 Cb -0.13 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.88 2rq9 s PRO 131 CO 0.20 -0.17 0.27 0.54 0.04 0.00 0.00 177.00 177.89 2rq9 s VAL 132 N -1.67 0.07 0.53 -0.36 0.11 -1.18 -4.83 120.40 113.08 2rq9 s VAL 132 Ca 0.58 -1.38 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 2rq9 s VAL 132 Cb -0.22 -1.82 0.00 0.00 -1.53 0.00 0.00 36.38 32.81 2rq9 s VAL 132 CO 0.28 -0.32 0.00 -0.24 -3.33 0.00 0.00 175.10 171.49 2rq9 n SER 133 N -0.20 -7.61 -4.02 3.54 2.88 -1.26 -4.55 113.62 102.39 2rq9 n SER 133 Ca -0.08 1.66 -0.16 0.00 -1.33 0.00 0.00 58.87 58.96 2rq9 n SER 133 Cb 0.63 -4.44 -0.13 0.00 -0.75 0.00 0.00 64.21 59.51 2rq9 n SER 133 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2rq9 s SER 134 N -5.05 0.87 -0.11 -3.46 1.04 -1.26 -4.99 113.70 100.74 2rq9 s SER 134 Ca 0.00 -0.29 -0.08 0.00 0.48 0.00 0.00 55.95 56.07 2rq9 s SER 134 Cb 0.00 -0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.10 2rq9 s SER 134 CO 0.00 -0.02 0.15 0.47 0.98 0.00 0.00 173.24 174.83 2rq9 n ASP 135 N 2.35 -3.09 -4.05 7.02 8.00 -1.26 -4.85 116.55 120.68 2rq9 n ASP 135 Ca -0.17 1.32 -0.36 0.00 0.71 0.00 0.00 54.79 56.29 2rq9 n ASP 135 Cb 0.56 -4.25 0.05 0.00 -0.02 0.00 0.00 41.12 37.46 2rq9 n ASP 135 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2rq9 n LEU 136 N 1.95 -4.97 0.00 0.64 7.94 -1.26 -4.79 117.00 116.50 2rq9 n LEU 136 Ca -0.26 0.17 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 2rq9 n LEU 136 Cb 0.40 -0.78 0.00 0.00 0.53 0.00 0.00 43.42 43.58 2rq9 n LEU 136 CO 0.24 -5.29 0.00 -0.62 -1.11 0.00 0.00 177.39 170.62 2rq9 n GLU 137 N 1.96 0.00 -1.44 1.96 1.02 -1.26 -5.16 120.64 117.73 2rq9 n GLU 137 Ca -0.01 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.32 2rq9 n GLU 137 Cb 0.58 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.94 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 -3.67 -3.49 -0.32 8.25 -1.26 -4.75 115.22 109.99 2rq9 n HIS 138 Ca 0.00 1.90 -0.37 0.00 -0.26 0.00 0.00 57.72 58.99 2rq9 n HIS 138 Cb 0.00 -3.33 -0.07 0.00 1.12 0.00 0.00 29.99 27.71 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 -3.01 3.48 0.46 4.41 2.46 -1.26 -4.93 115.29 116.90 2rq9 s HIS 139 Ca 0.00 0.67 0.00 0.00 0.47 0.00 0.00 55.06 56.20 2rq9 s HIS 139 Cb 0.00 -2.39 0.00 0.00 -0.13 0.00 0.00 32.58 30.06 2rq9 s HIS 139 CO 0.00 0.23 0.00 0.72 -2.47 0.00 0.00 174.74 173.22 2rq9 n HIS 140 N 3.57 -3.18 -4.10 3.88 8.25 -1.26 -5.05 115.22 117.33 2rq9 n HIS 140 Ca -0.11 1.71 -0.14 0.00 -0.26 0.00 0.00 57.72 58.92 2rq9 n HIS 140 Cb 0.52 -2.89 -0.05 0.00 1.12 0.00 0.00 29.99 28.69 2rq9 n HIS 140 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2rq9 s HIS 141 N -3.49 1.03 0.13 4.41 -3.43 -1.26 -5.11 115.29 107.57 2rq9 s HIS 141 Ca 0.00 -1.25 0.07 0.00 -0.80 0.00 0.00 55.06 53.08 2rq9 s HIS 141 Cb 0.00 -0.13 -0.04 0.00 -1.43 0.00 0.00 32.58 30.98 2rq9 s HIS 141 CO 0.00 -1.05 -0.17 -1.58 -2.00 0.00 0.00 174.74 169.93 2rq9 s HIS 142 N -3.31 1.63 -0.99 0.38 2.46 -1.26 -5.29 115.29 108.91 2rq9 s HIS 142 Ca 0.31 -0.48 0.08 0.00 0.47 0.00 0.00 55.06 55.44 2rq9 s HIS 142 Cb 0.00 -0.85 0.06 0.00 -0.13 0.00 0.00 32.58 31.67 2rq9 s HIS 142 CO 0.19 0.22 0.75 1.58 -2.47 0.00 0.00 174.74 175.00