#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 1.15 -0.02 6.12 3.84 -1.26 -5.11 114.94 119.65 2rq9 s ASN 2 Ca 0.00 0.06 -0.30 0.00 0.21 0.00 0.00 52.86 52.83 2rq9 s ASN 2 Cb 0.00 0.18 -0.09 0.00 -0.55 0.00 0.00 41.25 40.79 2rq9 s ASN 2 CO 0.00 -0.28 2.01 -1.22 -2.79 0.00 0.00 177.10 174.82 2rq9 n TYR 3 N 5.31 2.40 -3.67 0.43 4.01 -1.26 -4.91 117.16 119.48 2rq9 n TYR 3 Ca -0.05 -0.29 -0.02 0.00 -0.16 0.00 0.00 57.90 57.38 2rq9 n TYR 3 Cb 0.50 -2.78 -0.01 0.00 -0.31 0.00 0.00 39.34 36.74 2rq9 n TYR 3 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2rq9 s LYS 4 N 4.75 0.79 -0.09 -0.72 2.20 -1.26 -5.08 119.74 120.33 2rq9 s LYS 4 Ca 0.92 -0.42 -0.03 0.00 -0.36 0.00 0.00 55.97 56.08 2rq9 s LYS 4 Cb -0.46 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.15 2rq9 s LYS 4 CO 0.42 -0.36 0.12 1.17 -0.36 0.00 0.00 175.35 176.34 2rq9 n LYS 5 N -0.43 -0.44 -1.49 4.03 0.00 -1.26 -5.06 118.16 113.51 2rq9 n LYS 5 Ca -0.07 0.80 -0.30 0.00 0.00 0.00 0.00 58.31 58.74 2rq9 n LYS 5 Cb 0.61 -2.32 0.23 0.00 0.00 0.00 0.00 35.03 33.56 2rq9 n LYS 5 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2rq9 n PRO 6 N -0.55 -2.23 -3.94 1.64 -0.04 -1.26 -4.91 135.00 123.71 2rq9 n PRO 6 Ca 0.02 -1.93 -0.09 0.00 -0.04 0.00 0.00 63.50 61.47 2rq9 n PRO 6 Cb 0.14 -1.52 -0.08 0.00 -0.04 0.00 0.00 33.50 32.00 2rq9 n PRO 6 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2rq9 s LYS 7 N -5.73 0.87 -0.04 0.54 1.02 0.15 -3.73 119.74 112.82 2rq9 s LYS 7 Ca 0.74 -1.08 0.07 0.00 0.02 0.00 0.00 55.97 55.72 2rq9 s LYS 7 Cb -0.04 0.32 -0.01 0.00 -0.52 0.00 0.00 37.83 37.57 2rq9 s LYS 7 CO 0.54 -0.27 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.95 2rq9 s LEU 8 N -2.91 2.05 -0.44 3.17 1.43 -0.78 -1.61 118.68 119.60 2rq9 s LEU 8 Ca 0.09 -0.48 -0.21 0.00 -1.03 0.00 0.00 54.13 52.50 2rq9 s LEU 8 Cb 0.05 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.97 2rq9 s LEU 8 CO -0.08 0.26 0.67 -0.76 0.23 0.00 0.00 176.35 176.67 2rq9 s LEU 9 N -0.31 4.44 -0.10 1.79 2.01 -1.26 0.13 118.68 125.37 2rq9 s LEU 9 Ca 0.01 -0.27 -0.25 0.00 0.01 0.00 0.00 54.13 53.64 2rq9 s LEU 9 Cb -0.12 -2.78 -0.03 0.00 0.01 0.00 0.00 46.19 43.28 2rq9 s LEU 9 CO 0.02 -0.79 0.78 -0.47 1.01 0.00 0.00 176.35 176.89 2rq9 s TYR 10 N 2.90 3.52 -0.89 0.29 5.04 0.56 -3.44 117.35 125.33 2rq9 s TYR 10 Ca 0.24 1.29 -0.01 0.00 -2.44 0.00 0.00 57.07 56.15 2rq9 s TYR 10 Cb -0.14 -2.92 0.26 0.00 0.35 0.00 0.00 41.96 39.51 2rq9 s TYR 10 CO 0.19 -0.06 1.01 0.00 -1.34 0.00 0.00 175.55 175.36 2rq9 n SER 12 N 1.58 0.04 -0.16 0.00 2.88 -1.26 0.20 113.62 116.89 2rq9 n SER 12 Ca 0.26 0.97 -0.05 0.00 -1.33 0.00 0.00 58.87 58.72 2rq9 n SER 12 Cb 0.37 -0.48 -0.04 0.00 -0.75 0.00 0.00 64.21 63.30 2rq9 n SER 12 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2rq9 h ASN 13 N 0.00 -0.88 0.00 -3.46 -1.24 -1.88 -3.28 115.58 104.84 2rq9 h ASN 13 Ca 0.85 0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.99 2rq9 h ASN 13 Cb 3.30 0.39 0.00 0.00 0.73 0.00 0.00 38.32 42.74 2rq9 h ASN 13 CO -0.09 -0.10 -1.13 0.61 -1.29 0.00 0.00 177.43 175.43 2rq9 n GLY 14 N -1.11 -0.16 1.15 1.57 0.00 0.31 -5.03 105.19 101.92 2rq9 n GLY 14 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 2.07 -0.06 3.22 -0.02 0.00 0.52 -5.06 105.19 105.86 2rq9 n GLY 15 Ca -0.01 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.62 -0.08 -0.08 1.61 3.76 -1.25 -4.69 115.29 111.94 2rq9 s HIS 16 Ca 0.00 0.01 -0.05 0.00 -0.15 0.00 0.00 55.06 54.87 2rq9 s HIS 16 Cb 0.00 0.05 -0.04 0.00 1.11 0.00 0.00 32.58 33.71 2rq9 s HIS 16 CO 0.00 -0.43 0.14 -0.06 -0.85 0.00 0.00 174.74 173.54 2rq9 s PHE 17 N -2.02 3.55 -0.25 1.40 0.08 0.27 -2.33 117.98 118.68 2rq9 s PHE 17 Ca -0.09 0.45 -0.29 0.00 0.12 0.00 0.00 56.93 57.12 2rq9 s PHE 17 Cb -0.03 -1.89 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 2rq9 s PHE 17 CO -0.00 0.69 1.13 -1.17 -0.10 0.00 0.00 175.22 175.77 2rq9 s LEU 18 N -1.31 4.04 0.19 -0.37 2.96 -1.22 -0.81 118.68 122.15 2rq9 s LEU 18 Ca 0.19 1.32 0.11 0.00 -0.22 0.00 0.00 54.13 55.53 2rq9 s LEU 18 Cb -0.12 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 2rq9 s LEU 18 CO 0.08 -0.81 -0.24 0.00 -1.32 0.00 0.00 176.35 174.07 2rq9 s ARG 19 N 3.53 1.49 -0.21 1.98 1.70 -0.93 -4.64 118.95 121.87 2rq9 s ARG 19 Ca 0.48 -1.50 0.01 0.00 -0.47 0.00 0.00 55.73 54.25 2rq9 s ARG 19 Cb -0.16 -1.81 0.05 0.00 -0.57 0.00 0.00 34.95 32.47 2rq9 s ARG 19 CO 0.13 0.39 -0.09 0.42 -1.08 0.00 0.00 175.30 175.08 2rq9 s ILE 20 N -1.65 1.62 0.60 4.99 1.01 -1.26 -2.91 121.20 123.60 2rq9 s ILE 20 Ca 0.20 -1.10 -0.13 0.00 0.00 0.00 0.00 60.65 59.62 2rq9 s ILE 20 Cb -0.08 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 2rq9 s ILE 20 CO 0.09 0.07 1.03 -0.76 0.00 0.00 0.00 174.94 175.37 2rq9 s LEU 21 N 1.39 3.36 0.00 2.97 1.43 0.11 -4.80 118.68 123.14 2rq9 s LEU 21 Ca -0.03 1.55 0.22 0.00 -1.03 0.00 0.00 54.13 54.84 2rq9 s LEU 21 Cb -0.17 -4.49 1.01 0.00 0.03 0.00 0.00 46.19 42.56 2rq9 s LEU 21 CO -0.07 -0.93 1.71 -0.81 0.23 0.00 0.00 176.35 176.48 2rq9 n PRO 22 N -2.38 0.12 -0.16 1.29 -0.04 -1.26 -2.16 135.00 130.40 2rq9 n PRO 22 Ca 0.07 0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.71 2rq9 n PRO 22 Cb 0.54 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.42 2.01 -1.40 3.54 2.03 -1.26 -4.89 116.55 115.16 2rq9 n ASP 23 Ca 0.07 -1.91 -0.06 0.00 0.52 0.00 0.00 54.79 53.41 2rq9 n ASP 23 Cb 0.23 -0.21 0.02 0.00 -0.72 0.00 0.00 41.12 40.44 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 1.14 0.47 3.31 0.27 0.00 -0.92 -5.06 105.19 104.40 2rq9 n GLY 24 Ca 0.14 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 2rq9 n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rq9 s THR 25 N -3.09 1.89 -0.12 2.61 2.01 -1.23 -4.48 115.64 113.24 2rq9 s THR 25 Ca 0.11 -1.48 -0.01 0.00 0.31 0.00 0.00 61.69 60.62 2rq9 s THR 25 Cb -0.05 -1.67 0.03 0.00 0.01 0.00 0.00 72.50 70.82 2rq9 s THR 25 CO 0.19 0.11 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.50 2rq9 s VAL 26 N -0.98 0.86 0.10 3.82 1.01 -1.26 0.10 120.40 124.04 2rq9 s VAL 26 Ca 0.09 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 2rq9 s VAL 26 Cb -0.10 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.31 2rq9 s VAL 26 CO 0.04 0.25 0.21 -1.81 0.00 0.00 0.00 175.10 173.79 2rq9 s ASP 27 N 1.77 0.08 0.48 3.32 1.01 -1.15 -4.07 116.67 118.11 2rq9 s ASP 27 Ca 0.04 -0.64 -0.13 0.00 0.71 0.00 0.00 52.55 52.53 2rq9 s ASP 27 Cb -0.13 0.36 -0.07 0.00 1.01 0.00 0.00 42.92 44.09 2rq9 s ASP 27 CO -0.07 -0.75 0.89 -0.83 0.21 0.00 0.00 175.17 174.61 2rq9 s GLY 28 N -2.86 1.95 -0.19 0.21 0.00 0.30 -2.18 107.32 104.55 2rq9 s GLY 28 Ca 0.06 -0.04 -0.27 0.00 0.00 0.00 0.00 44.72 44.46 2rq9 s GLY 28 CO -0.10 0.19 0.74 -1.08 0.00 0.00 0.00 173.10 172.85 2rq9 s THR 29 N -2.58 0.00 -0.03 0.90 -1.32 0.01 -4.64 115.64 107.98 2rq9 s THR 29 Ca 0.55 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 61.07 2rq9 s THR 29 Cb -0.10 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.95 2rq9 s THR 29 CO 0.34 0.00 0.95 -2.11 -2.21 0.00 0.00 174.62 171.59 2rq9 n ARG 30 N 1.94 1.84 0.27 7.08 1.85 -1.26 0.94 116.66 129.31 2rq9 n ARG 30 Ca -0.15 -1.53 0.16 0.00 -1.00 0.00 0.00 57.85 55.32 2rq9 n ARG 30 Cb 0.56 -0.99 0.70 0.00 -1.05 0.00 0.00 32.46 31.68 2rq9 n ARG 30 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 2rq9 h ASP 31 N 0.00 0.00 0.00 2.89 3.58 -1.97 -3.46 116.42 117.47 2rq9 h ASP 31 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2rq9 h ASP 31 Cb 0.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.82 2rq9 h ASP 31 CO 0.00 0.06 0.00 0.54 -2.88 0.00 0.00 179.24 176.96 2rq9 n ARG 32 N -3.22 0.00 -0.66 0.28 1.74 -1.26 -4.31 116.66 109.23 2rq9 n ARG 32 Ca -0.00 0.00 0.50 0.00 -0.77 0.00 0.00 57.85 57.58 2rq9 n ARG 32 Cb 0.30 0.00 0.76 0.00 -1.02 0.00 0.00 32.46 32.51 2rq9 n ARG 32 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2rq9 n SER 33 N 1.24 0.00 -4.74 0.55 2.88 -1.26 -4.44 113.62 107.86 2rq9 n SER 33 Ca 0.00 0.93 -0.64 0.00 -1.33 0.00 0.00 58.87 57.83 2rq9 n SER 33 Cb 0.00 -0.47 -0.09 0.00 -0.75 0.00 0.00 64.21 62.90 2rq9 n SER 33 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2rq9 n ASP 34 N -3.80 1.66 -2.10 -3.46 2.03 -1.26 -4.78 116.55 104.83 2rq9 n ASP 34 Ca 0.42 1.15 -0.23 0.00 0.52 0.00 0.00 54.79 56.64 2rq9 n ASP 34 Cb 1.88 -0.98 0.04 0.00 -0.72 0.00 0.00 41.12 41.34 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 4.53 2.14 0.00 -0.67 1.13 -1.26 -3.96 117.38 119.29 2rq9 n GLN 35 Ca 0.29 -2.19 0.00 0.00 -1.94 0.00 0.00 57.00 53.17 2rq9 n GLN 35 Cb 0.01 -1.87 0.00 0.00 0.11 0.00 0.00 30.24 28.49 2rq9 n GLN 35 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2rq9 n HIS 36 N 0.01 -0.00 -0.59 1.08 8.25 -1.26 -4.79 115.22 117.91 2rq9 n HIS 36 Ca 0.42 0.00 0.47 0.00 -0.26 0.00 0.00 57.72 58.34 2rq9 n HIS 36 Cb 0.59 0.34 0.74 0.00 1.12 0.00 0.00 29.99 32.78 2rq9 n HIS 36 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2rq9 n ILE 37 N -2.17 -0.11 -1.52 1.59 -5.35 -1.25 -3.94 119.36 106.60 2rq9 n ILE 37 Ca 0.00 1.60 -0.14 0.00 -0.27 0.00 0.00 62.75 63.94 2rq9 n ILE 37 Cb 0.00 -2.65 -0.11 0.00 -1.74 0.00 0.00 39.64 35.14 2rq9 n ILE 37 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2rq9 n GLN 38 N -4.24 0.34 -3.85 6.28 6.02 -1.26 -4.73 117.38 115.94 2rq9 n GLN 38 Ca 0.42 -0.74 -0.33 0.00 -0.01 0.00 0.00 57.00 56.34 2rq9 n GLN 38 Cb 1.78 -3.00 -0.05 0.00 1.02 0.00 0.00 30.24 30.00 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 11.19 4.36 -0.28 1.08 1.43 -0.63 -3.56 118.68 132.26 2rq9 s LEU 39 Ca 0.95 0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 54.39 2rq9 s LEU 39 Cb -0.27 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 2rq9 s LEU 39 CO 0.20 0.22 0.10 -1.10 0.23 0.00 0.00 176.35 175.99 2rq9 s GLN 40 N -2.09 3.43 -0.01 1.70 -1.52 -0.11 0.33 119.66 121.39 2rq9 s GLN 40 Ca 0.30 -0.64 -0.19 0.00 -1.95 0.00 0.00 55.36 52.89 2rq9 s GLN 40 Cb -0.13 -3.40 -0.05 0.00 -0.22 0.00 0.00 33.01 29.20 2rq9 s GLN 40 CO 0.21 -0.32 0.53 -0.51 -0.25 0.00 0.00 175.29 174.95 2rq9 s LEU 41 N 1.59 4.43 0.11 2.90 1.02 -1.26 -2.31 118.68 125.16 2rq9 s LEU 41 Ca 0.05 1.07 0.02 0.00 0.02 0.00 0.00 54.13 55.29 2rq9 s LEU 41 Cb -0.16 -2.80 -0.04 0.00 0.02 0.00 0.00 46.19 43.21 2rq9 s LEU 41 CO 0.04 0.17 -0.06 -0.44 0.02 0.00 0.00 176.35 176.08 2rq9 s SER 42 N -0.42 1.19 -0.11 2.29 0.01 0.13 -4.93 113.70 111.86 2rq9 s SER 42 Ca 0.28 -1.03 0.02 0.00 1.31 0.00 0.00 55.95 56.53 2rq9 s SER 42 Cb -0.18 0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.16 2rq9 s SER 42 CO 0.15 -0.47 -0.18 0.00 0.41 0.00 0.00 173.24 173.15 2rq9 s ALA 43 N -3.61 1.85 -0.14 1.44 0.00 -1.26 0.19 121.76 120.22 2rq9 s ALA 43 Ca 0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 2rq9 s ALA 43 Cb 0.05 -0.84 -0.07 0.00 0.00 0.00 0.00 23.12 22.27 2rq9 s ALA 43 CO -0.03 0.01 -0.16 -1.91 0.00 0.00 0.00 175.76 173.68 2rq9 n GLU 44 N 4.02 0.31 -4.44 0.00 2.13 -1.24 -4.98 120.64 116.44 2rq9 n GLU 44 Ca -0.20 0.11 -0.22 0.00 0.66 0.00 0.00 57.16 57.52 2rq9 n GLU 44 Cb 0.52 -1.09 -0.10 0.00 0.27 0.00 0.00 31.44 31.03 2rq9 n GLU 44 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2rq9 s SER 45 N -5.90 2.79 0.02 4.31 1.04 -1.26 -5.04 113.70 109.66 2rq9 s SER 45 Ca -0.19 -1.21 -0.30 0.00 0.48 0.00 0.00 55.95 54.73 2rq9 s SER 45 Cb 0.06 -0.17 -0.08 0.00 0.10 0.00 0.00 66.02 65.93 2rq9 s SER 45 CO 0.27 -0.37 1.77 0.54 0.98 0.00 0.00 173.24 176.43 2rq9 s VAL 46 N -3.02 3.17 0.00 5.02 0.11 -1.26 -0.58 120.40 123.84 2rq9 s VAL 46 Ca 0.30 0.37 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 2rq9 s VAL 46 Cb 0.04 -3.24 0.00 0.00 -1.53 0.00 0.00 36.38 31.66 2rq9 s VAL 46 CO 0.13 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.48 2rq9 n GLY 47 N 4.24 0.66 3.45 6.54 0.00 -1.26 -5.01 105.19 113.80 2rq9 n GLY 47 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2rq9 n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rq9 s GLU 48 N -0.04 2.21 0.04 1.61 2.02 0.25 0.46 118.70 125.25 2rq9 s GLU 48 Ca 0.00 -0.89 -0.02 0.00 0.02 0.00 0.00 54.97 54.08 2rq9 s GLU 48 Cb 0.00 -2.23 -0.02 0.00 0.10 0.00 0.00 34.13 31.98 2rq9 s GLU 48 CO 0.00 0.57 0.01 0.14 0.02 0.00 0.00 175.26 176.00 2rq9 s VAL 49 N -0.83 0.15 -0.06 2.63 -7.23 -0.68 -3.60 120.40 110.79 2rq9 s VAL 49 Ca 0.13 -1.28 0.05 0.00 -1.81 0.00 0.00 61.98 59.07 2rq9 s VAL 49 Cb -0.10 -0.90 -0.00 0.00 0.56 0.00 0.00 36.38 35.93 2rq9 s VAL 49 CO 0.03 -0.70 -0.20 -0.31 -0.31 0.00 0.00 175.10 173.61 2rq9 s TYR 50 N -2.69 1.99 -0.24 2.82 2.02 0.51 -2.50 117.35 119.26 2rq9 s TYR 50 Ca -0.04 -0.62 -0.01 0.00 -0.37 0.00 0.00 57.07 56.03 2rq9 s TYR 50 Cb -0.01 -1.33 0.03 0.00 -0.40 0.00 0.00 41.96 40.25 2rq9 s TYR 50 CO -0.05 -0.22 -0.09 0.42 -1.57 0.00 0.00 175.55 174.04 2rq9 s ILE 51 N 0.07 2.68 0.05 2.71 1.01 -1.26 0.20 121.20 126.66 2rq9 s ILE 51 Ca -0.06 -1.06 0.04 0.00 0.00 0.00 0.00 60.65 59.56 2rq9 s ILE 51 Cb -0.13 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 2rq9 s ILE 51 CO 0.03 0.23 -0.12 -0.75 0.00 0.00 0.00 174.94 174.34 2rq9 s LYS 52 N 1.30 0.75 0.17 2.79 2.36 -0.98 -0.17 119.74 125.96 2rq9 s LYS 52 Ca 0.00 -0.80 -0.30 0.00 -2.55 0.00 0.00 55.97 52.32 2rq9 s LYS 52 Cb -0.16 -0.69 -0.07 0.00 -1.05 0.00 0.00 37.83 35.85 2rq9 s LYS 52 CO -0.06 0.16 0.96 -1.12 1.55 0.00 0.00 175.35 176.84 2rq9 s SER 53 N -1.42 7.56 0.00 1.43 0.01 -0.76 -0.94 113.70 119.58 2rq9 s SER 53 Ca -0.03 1.88 0.25 0.00 1.31 0.00 0.00 55.95 59.36 2rq9 s SER 53 Cb -0.09 -2.60 0.54 0.00 0.21 0.00 0.00 66.02 64.08 2rq9 s SER 53 CO 0.01 0.03 1.44 0.35 0.41 0.00 0.00 173.24 175.48 2rq9 n THR 54 N 2.17 0.00 -0.02 1.44 -2.24 -1.23 -3.42 114.28 110.98 2rq9 n THR 54 Ca 0.00 -0.23 -0.02 0.00 -2.27 0.00 0.00 64.05 61.53 2rq9 n THR 54 Cb 0.48 0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.06 0.13 0.16 -0.78 4.07 -1.26 -4.84 120.64 118.06 2rq9 n GLU 55 Ca 0.13 0.05 -0.07 0.00 -0.06 0.00 0.00 57.16 57.22 2rq9 n GLU 55 Cb 0.41 -0.67 -0.03 0.00 -0.06 0.00 0.00 31.44 31.09 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 0.00 0.00 6.31 1.35 -1.87 -3.49 112.91 114.95 2rq9 h THR 56 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 2rq9 h THR 56 Cb 0.25 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.67 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 -0.02 0.84 3.00 5.82 0.00 -1.22 -5.07 105.19 108.55 2rq9 n GLY 57 Ca -0.05 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 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 0.21 0.59 0.15 1.61 -0.21 -1.26 -4.92 119.66 115.84 2rq9 s GLN 58 Ca 0.00 -0.32 -0.25 0.00 0.02 0.00 0.00 55.36 54.82 2rq9 s GLN 58 Cb 0.00 -0.56 -0.08 0.00 1.00 0.00 0.00 33.01 33.37 2rq9 s GLN 58 CO 0.00 0.15 0.76 0.71 -2.12 0.00 0.00 175.29 174.79 2rq9 s TYR 59 N -0.29 3.89 -0.23 0.91 2.02 -0.99 -1.83 117.35 120.83 2rq9 s TYR 59 Ca 0.02 1.59 -0.29 0.00 -0.37 0.00 0.00 57.07 58.02 2rq9 s TYR 59 Cb -0.04 -2.75 0.00 0.00 -0.40 0.00 0.00 41.96 38.78 2rq9 s TYR 59 CO -0.00 0.50 1.19 -1.17 -1.57 0.00 0.00 175.55 174.50 2rq9 s LEU 60 N -1.06 4.06 0.02 -1.29 2.96 0.76 -0.22 118.68 123.91 2rq9 s LEU 60 Ca 0.35 1.41 0.00 0.00 -0.22 0.00 0.00 54.13 55.68 2rq9 s LEU 60 Cb -0.23 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.90 2rq9 s LEU 60 CO 0.25 -0.83 -0.04 0.00 -1.32 0.00 0.00 176.35 174.42 2rq9 s ALA 61 N 3.65 0.20 -0.26 5.97 0.00 -0.65 -4.21 121.76 126.46 2rq9 s ALA 61 Ca 0.51 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.75 2rq9 s ALA 61 Cb -0.17 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2rq9 s ALA 61 CO 0.15 -0.15 0.10 1.41 0.00 0.00 0.00 175.76 177.27 2rq9 s MET 62 N -1.58 3.71 1.02 0.00 1.75 -1.26 -0.12 119.30 122.81 2rq9 s MET 62 Ca -0.14 -0.45 -0.15 0.00 -1.25 0.00 0.00 55.69 53.70 2rq9 s MET 62 Cb -0.09 -3.41 0.20 0.00 2.84 0.00 0.00 34.83 34.37 2rq9 s MET 62 CO -0.01 -0.20 1.15 0.16 -0.65 0.00 0.00 175.02 175.47 2rq9 s ASP 63 N 1.65 2.54 0.54 1.11 1.47 0.58 -4.90 116.67 119.66 2rq9 s ASP 63 Ca 0.06 0.80 0.35 0.00 1.18 0.00 0.00 52.55 54.94 2rq9 s ASP 63 Cb -0.15 -1.21 1.52 0.00 -0.34 0.00 0.00 42.92 42.74 2rq9 s ASP 63 CO 0.05 -3.14 2.03 0.71 0.68 0.00 0.00 175.17 175.50 2rq9 h THR 64 N -1.91 0.00 0.00 2.11 1.35 -1.99 -1.26 112.91 111.22 2rq9 h THR 64 Ca -0.49 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2rq9 h THR 64 Cb 1.31 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 2rq9 h THR 64 CO 0.50 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.24 2rq9 n ASP 65 N -3.00 0.00 0.00 5.36 9.92 -1.26 -4.82 116.55 122.75 2rq9 n ASP 65 Ca 0.00 0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 2rq9 n ASP 65 Cb 0.25 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 2rq9 n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rq9 n GLY 66 N 0.25 0.67 4.00 0.44 0.00 -0.47 -4.76 105.19 105.32 2rq9 n GLY 66 Ca 0.07 0.00 -0.18 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 3.83 -0.06 0.99 1.02 -1.25 0.78 118.68 123.99 2rq9 s LEU 67 Ca 0.00 -0.27 -0.02 0.00 0.02 0.00 0.00 54.13 53.86 2rq9 s LEU 67 Cb 0.00 -2.72 -0.04 0.00 0.02 0.00 0.00 46.19 43.45 2rq9 s LEU 67 CO 0.00 -0.58 0.06 -0.76 0.02 0.00 0.00 176.35 175.09 2rq9 s LEU 68 N -4.26 3.85 -0.02 1.79 1.43 -1.26 -0.31 118.68 119.90 2rq9 s LEU 68 Ca 0.49 0.20 -0.20 0.00 -1.03 0.00 0.00 54.13 53.59 2rq9 s LEU 68 Cb -0.10 -2.04 0.04 0.00 0.03 0.00 0.00 46.19 44.12 2rq9 s LEU 68 CO 0.32 0.34 0.43 -0.72 0.23 0.00 0.00 176.35 176.96 2rq9 s TYR 69 N -1.04 -0.34 -0.16 0.29 -0.85 0.82 -4.16 117.35 111.92 2rq9 s TYR 69 Ca 0.17 0.54 -0.28 0.00 -0.52 0.00 0.00 57.07 56.98 2rq9 s TYR 69 Cb -0.12 0.21 -0.01 0.00 0.38 0.00 0.00 41.96 42.42 2rq9 s TYR 69 CO 0.07 -0.47 0.94 0.20 -1.52 0.00 0.00 175.55 174.77 2rq9 s GLY 70 N -1.34 2.09 0.09 5.49 0.00 -1.26 -1.63 107.32 110.76 2rq9 s GLY 70 Ca -0.12 0.19 -0.20 0.00 0.00 0.00 0.00 44.72 44.58 2rq9 s GLY 70 CO 0.06 1.89 0.60 -0.45 0.00 0.00 0.00 173.10 175.19 2rq9 s SER 71 N 1.15 7.10 0.26 1.64 0.15 0.70 -4.80 113.70 119.90 2rq9 s SER 71 Ca 0.43 1.31 -0.03 0.00 0.70 0.00 0.00 55.95 58.37 2rq9 s SER 71 Cb -0.17 -2.38 0.34 0.00 -1.71 0.00 0.00 66.02 62.11 2rq9 s SER 71 CO 0.13 0.26 1.81 -0.61 1.20 0.00 0.00 173.24 176.02 2rq9 h GLN 72 N 4.47 0.90 -5.77 5.44 4.15 -1.91 -2.63 115.11 119.77 2rq9 h GLN 72 Ca -0.49 -0.19 -0.51 0.00 0.77 0.00 0.00 58.65 58.23 2rq9 h GLN 72 Cb 1.21 -0.13 -0.14 0.00 0.21 0.00 0.00 27.48 28.63 2rq9 h GLN 72 CO 0.64 0.80 -0.73 0.95 -1.93 0.00 0.00 178.83 178.56 2rq9 s THR 73 N -5.24 1.97 -0.43 2.39 -4.23 -1.26 -4.88 115.64 103.96 2rq9 s THR 73 Ca -0.10 -2.26 -0.29 0.00 -1.18 0.00 0.00 61.69 57.86 2rq9 s THR 73 Cb 0.15 -2.20 0.01 0.00 1.34 0.00 0.00 72.50 71.81 2rq9 s THR 73 CO 0.81 -0.48 1.42 -2.16 -0.54 0.00 0.00 174.62 173.67 2rq9 s PRO 74 N -3.61 3.53 0.23 3.99 0.04 -1.26 -4.81 135.00 133.11 2rq9 s PRO 74 Ca 0.26 0.88 0.12 0.00 0.04 0.00 0.00 61.00 62.30 2rq9 s PRO 74 Cb -0.01 -4.04 -0.05 0.00 0.04 0.00 0.00 34.50 30.44 2rq9 s PRO 74 CO 0.10 -1.63 -0.22 -0.80 0.04 0.00 0.00 177.00 174.50 2rq9 s ASN 75 N 4.06 3.47 0.55 6.66 0.01 -1.26 -5.00 114.94 123.44 2rq9 s ASN 75 Ca 0.61 -0.95 0.37 0.00 -0.71 0.00 0.00 52.86 52.17 2rq9 s ASN 75 Cb -0.13 -0.27 1.55 0.00 0.41 0.00 0.00 41.25 42.80 2rq9 s ASN 75 CO 0.32 0.07 1.80 -0.33 -1.51 0.00 0.00 177.10 177.45 2rq9 h GLU 76 N 2.74 0.00 0.00 -0.60 5.08 -1.94 1.48 114.58 121.34 2rq9 h GLU 76 Ca -0.43 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 2rq9 h GLU 76 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2rq9 h GLU 76 CO 0.54 0.00 -0.03 0.93 -1.00 0.00 0.00 179.01 179.45 2rq9 h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.95 0.45 114.58 120.49 2rq9 h GLU 77 Ca 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.92 2rq9 h GLU 77 Cb 2.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.52 2rq9 h GLU 77 CO -0.01 0.03 -0.09 0.00 -1.00 0.00 0.00 179.01 177.94 2rq9 s LEU 79 N -4.70 4.08 0.34 0.00 2.96 0.16 -4.36 118.68 117.16 2rq9 s LEU 79 Ca 0.09 0.82 0.09 0.00 -0.22 0.00 0.00 54.13 54.92 2rq9 s LEU 79 Cb 0.12 -3.08 -0.06 0.00 0.50 0.00 0.00 46.19 43.67 2rq9 s LEU 79 CO 0.62 -0.53 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.73 2rq9 s PHE 80 N 2.83 2.49 -0.22 5.38 0.40 -1.04 -1.60 117.98 126.21 2rq9 s PHE 80 Ca 0.32 -0.47 -0.08 0.00 -0.60 0.00 0.00 56.93 56.10 2rq9 s PHE 80 Cb -0.15 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 2rq9 s PHE 80 CO 0.10 0.52 0.09 -0.51 0.70 0.00 0.00 175.22 176.11 2rq9 s LEU 81 N -3.67 3.74 -0.03 -0.37 2.01 0.40 -1.69 118.68 119.07 2rq9 s LEU 81 Ca 0.34 -0.02 0.01 0.00 0.01 0.00 0.00 54.13 54.47 2rq9 s LEU 81 Cb 0.01 -1.98 -0.03 0.00 0.01 0.00 0.00 46.19 44.20 2rq9 s LEU 81 CO 0.18 0.07 -0.03 -0.70 1.01 0.00 0.00 176.35 176.88 2rq9 s GLU 82 N 1.02 2.75 0.18 1.70 -6.30 0.17 -1.46 118.70 116.76 2rq9 s GLU 82 Ca 0.05 -0.58 -0.08 0.00 -2.50 0.00 0.00 54.97 51.85 2rq9 s GLU 82 Cb -0.14 -2.63 -0.01 0.00 0.00 0.00 0.00 34.13 31.35 2rq9 s GLU 82 CO 0.03 0.64 0.28 1.03 0.02 0.00 0.00 175.26 177.26 2rq9 s ARG 83 N -1.21 1.20 -0.42 4.30 1.81 -1.21 -4.65 118.95 118.76 2rq9 s ARG 83 Ca 0.16 -1.25 -0.20 0.00 -1.72 0.00 0.00 55.73 52.72 2rq9 s ARG 83 Cb -0.11 0.37 0.02 0.00 -0.45 0.00 0.00 34.95 34.78 2rq9 s ARG 83 CO 0.06 -0.44 0.60 -1.17 -0.68 0.00 0.00 175.30 173.67 2rq9 s LEU 84 N -3.00 4.53 -0.01 2.53 1.98 -1.26 -2.70 118.68 120.75 2rq9 s LEU 84 Ca 0.21 -0.34 0.01 0.00 -2.89 0.00 0.00 54.13 51.12 2rq9 s LEU 84 Cb 0.03 -2.66 -0.04 0.00 0.66 0.00 0.00 46.19 44.19 2rq9 s LEU 84 CO 0.03 -0.71 0.01 -1.61 -1.89 0.00 0.00 176.35 172.17 2rq9 s GLU 85 N 2.66 2.84 1.03 1.98 2.02 -0.39 -5.03 118.70 123.80 2rq9 s GLU 85 Ca 0.21 -0.57 -0.20 0.00 0.02 0.00 0.00 54.97 54.42 2rq9 s GLU 85 Cb -0.15 -2.70 0.01 0.00 0.10 0.00 0.00 34.13 31.39 2rq9 s GLU 85 CO 0.17 0.64 -0.47 0.39 0.02 0.00 0.00 175.26 176.01 2rq9 n GLU 86 N 1.48 -1.11 -0.84 1.61 1.02 -1.26 -2.17 120.64 119.36 2rq9 n GLU 86 Ca -0.15 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.67 2rq9 n GLU 86 Cb 0.53 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 2rq9 n GLU 86 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2rq9 n ASN 87 N 0.37 0.00 -1.97 1.62 2.85 -1.26 -3.42 115.26 113.45 2rq9 n ASN 87 Ca 0.01 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.36 2rq9 n ASN 87 Cb 0.59 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.65 2rq9 n ASN 87 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 2rq9 n HIS 88 N -2.00 -1.37 -4.34 1.20 -0.00 -1.21 -5.03 115.22 102.46 2rq9 n HIS 88 Ca 0.00 0.48 -0.17 0.00 -0.00 0.00 0.00 57.72 58.03 2rq9 n HIS 88 Cb 0.00 -2.92 -0.10 0.00 -0.00 0.00 0.00 29.99 26.96 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 -3.15 1.61 0.46 1.57 2.02 -0.92 -4.95 117.35 113.99 2rq9 s TYR 89 Ca 0.28 -1.03 0.06 0.00 -0.37 0.00 0.00 57.07 56.01 2rq9 s TYR 89 Cb -0.12 -0.96 -0.02 0.00 -0.40 0.00 0.00 41.96 40.45 2rq9 s TYR 89 CO 0.34 -0.15 0.22 -0.80 -1.57 0.00 0.00 175.55 173.60 2rq9 s ASN 90 N -3.33 4.46 0.15 2.29 -0.87 0.23 -1.27 114.94 116.60 2rq9 s ASN 90 Ca 0.33 -1.20 -0.01 0.00 -1.57 0.00 0.00 52.86 50.41 2rq9 s ASN 90 Cb 0.07 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.25 41.16 2rq9 s ASN 90 CO 0.11 -0.74 0.08 0.42 -2.57 0.00 0.00 177.10 174.40 2rq9 s THR 91 N -2.68 0.07 -0.11 1.60 -4.23 -1.10 0.19 115.64 109.38 2rq9 s THR 91 Ca 0.34 -1.93 -0.07 0.00 -1.18 0.00 0.00 61.69 58.85 2rq9 s THR 91 Cb 0.02 -2.18 0.04 0.00 1.34 0.00 0.00 72.50 71.72 2rq9 s THR 91 CO 0.19 -0.33 0.27 -0.31 -0.54 0.00 0.00 174.62 173.90 2rq9 s TYR 92 N -4.08 -0.34 -0.02 3.99 2.02 -1.25 -3.35 117.35 114.33 2rq9 s TYR 92 Ca 0.28 0.80 0.01 0.00 -0.37 0.00 0.00 57.07 57.80 2rq9 s TYR 92 Cb 0.07 0.08 0.01 0.00 -0.40 0.00 0.00 41.96 41.73 2rq9 s TYR 92 CO 0.05 -0.21 -0.03 0.42 -1.57 0.00 0.00 175.55 174.21 2rq9 s ILE 93 N 0.92 0.29 0.33 2.71 1.01 -0.53 -3.29 121.20 122.65 2rq9 s ILE 93 Ca -0.06 -0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.21 2rq9 s ILE 93 Cb -0.08 -0.30 -0.11 0.00 0.01 0.00 0.00 42.46 41.99 2rq9 s ILE 93 CO -0.06 0.12 1.42 -0.55 0.00 0.00 0.00 174.94 175.87 2rq9 s SER 94 N 0.37 6.57 0.00 3.58 0.15 -1.25 0.15 113.70 123.28 2rq9 s SER 94 Ca -0.04 2.84 -0.06 0.00 0.70 0.00 0.00 55.95 59.39 2rq9 s SER 94 Cb -0.07 -2.65 -0.03 0.00 -1.71 0.00 0.00 66.02 61.56 2rq9 s SER 94 CO -0.01 -0.71 0.83 0.50 1.20 0.00 0.00 173.24 175.05 2rq9 h LYS 95 N 3.64 -0.20 -0.92 5.44 3.64 -1.52 0.45 116.57 127.11 2rq9 h LYS 95 Ca -0.49 0.01 0.27 0.00 -1.27 0.00 0.00 60.65 59.17 2rq9 h LYS 95 Cb 1.23 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.06 2rq9 h LYS 95 CO 0.68 -0.13 0.68 -0.22 -2.27 0.00 0.00 179.45 178.18 2rq9 h LYS 96 N -0.26 0.00 -2.23 1.90 3.64 -1.82 -0.49 116.57 117.32 2rq9 h LYS 96 Ca -0.02 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.77 2rq9 h LYS 96 Cb 0.16 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 31.56 2rq9 h LYS 96 CO 0.03 0.00 -0.66 0.72 -2.27 0.00 0.00 179.45 177.27 2rq9 n HIS 97 N -4.20 3.91 -0.12 1.91 8.25 -1.12 -4.76 115.22 119.09 2rq9 n HIS 97 Ca 0.19 -3.93 -0.24 0.00 -0.26 0.00 0.00 57.72 53.48 2rq9 n HIS 97 Cb 1.00 -0.46 -0.08 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.25 1.34 0.26 -1.41 0.00 0.16 -3.75 120.51 116.85 2rq9 n ALA 98 Ca 0.31 -0.96 0.18 0.00 0.00 0.00 0.00 53.44 52.97 2rq9 n ALA 98 Cb 0.42 0.16 0.87 0.00 0.00 0.00 0.00 19.45 20.89 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 -0.90 0.00 0.00 0.00 3.07 -1.83 1.27 114.58 116.19 2rq9 h GLU 99 Ca -0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.32 2rq9 h GLU 99 Cb 1.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.37 2rq9 h GLU 99 CO -0.33 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 178.91 2rq9 n LYS 100 N -3.31 0.91 -3.77 2.33 5.02 -1.26 -4.90 118.16 113.18 2rq9 n LYS 100 Ca 0.01 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.00 2rq9 n LYS 100 Cb 0.37 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.89 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 -1.00 -5.10 -4.45 4.39 3.02 0.44 -4.84 115.26 107.72 2rq9 n ASN 101 Ca 0.22 -0.98 -0.33 0.00 -0.03 0.00 0.00 54.58 53.46 2rq9 n ASN 101 Cb 0.10 -2.49 -0.13 0.00 -0.61 0.00 0.00 39.78 36.65 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 -3.26 2.89 0.02 3.10 0.51 -1.26 -4.76 118.94 116.19 2rq9 s TRP 102 Ca 0.26 -0.41 0.06 0.00 -2.12 0.00 0.00 56.10 53.89 2rq9 s TRP 102 Cb -0.12 -1.85 -0.03 0.00 -0.81 0.00 0.00 33.47 30.65 2rq9 s TRP 102 CO 0.89 -0.06 -0.14 -0.06 -0.51 0.00 0.00 176.95 177.08 2rq9 s PHE 103 N 0.14 2.68 0.00 -1.98 0.08 -1.20 -4.16 117.98 113.54 2rq9 s PHE 103 Ca -0.04 -0.18 0.00 0.00 0.12 0.00 0.00 56.93 56.83 2rq9 s PHE 103 Cb -0.14 -1.52 0.00 0.00 -0.57 0.00 0.00 43.02 40.78 2rq9 s PHE 103 CO 0.04 0.29 0.22 0.28 -0.10 0.00 0.00 175.22 175.94 2rq9 n VAL 104 N 1.61 0.00 -0.97 -0.44 0.31 -1.21 -4.34 118.33 113.28 2rq9 n VAL 104 Ca -0.16 0.66 0.11 0.00 -0.01 0.00 0.00 64.34 64.94 2rq9 n VAL 104 Cb 0.52 -1.53 -0.04 0.00 -0.91 0.00 0.00 33.84 31.89 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 0.12 -1.36 2.83 2.92 0.00 -1.26 -3.67 105.19 104.77 2rq9 n GLY 105 Ca 0.00 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 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 -5.11 1.35 0.00 0.99 1.43 -1.26 -2.59 118.68 113.49 2rq9 s LEU 106 Ca 0.00 -0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2rq9 s LEU 106 Cb 0.00 -0.15 0.01 0.00 0.03 0.00 0.00 46.19 46.08 2rq9 s LEU 106 CO 0.00 -0.08 0.02 0.29 0.23 0.00 0.00 176.35 176.81 2rq9 n LYS 107 N 3.87 -0.98 0.00 1.70 5.02 0.59 -4.63 118.16 123.73 2rq9 n LYS 107 Ca -0.24 -0.03 0.11 0.00 -2.02 0.00 0.00 58.31 56.13 2rq9 n LYS 107 Cb 0.52 -0.04 0.02 0.00 -0.02 0.00 0.00 35.03 35.51 2rq9 n LYS 107 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2rq9 n LYS 108 N -1.52 0.31 -0.28 1.97 5.02 -1.26 -3.88 118.16 118.52 2rq9 n LYS 108 Ca 0.00 -0.24 0.05 0.00 -2.02 0.00 0.00 58.31 56.11 2rq9 n LYS 108 Cb 0.01 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.70 2rq9 n LYS 108 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2rq9 n ASN 109 N -1.14 2.47 -2.09 4.39 5.15 -1.26 -4.87 115.26 117.90 2rq9 n ASN 109 Ca 0.06 -2.16 -0.12 0.00 -0.60 0.00 0.00 54.58 51.76 2rq9 n ASN 109 Cb 0.36 -0.37 0.04 0.00 -0.53 0.00 0.00 39.78 39.28 2rq9 n ASN 109 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rq9 n GLY 110 N 0.83 0.17 3.22 8.20 0.00 -1.25 -4.92 105.19 111.44 2rq9 n GLY 110 Ca 0.13 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.15 0.92 0.21 1.61 0.01 -1.26 0.11 113.70 112.15 2rq9 s SER 111 Ca 0.30 -1.21 -0.30 0.00 1.31 0.00 0.00 55.95 56.05 2rq9 s SER 111 Cb -0.13 0.18 -0.09 0.00 0.21 0.00 0.00 66.02 66.19 2rq9 s SER 111 CO 0.37 -0.64 1.24 0.00 0.41 0.00 0.00 173.24 174.63 2rq9 s LYS 113 N -0.40 4.22 0.51 0.00 2.20 -1.07 -4.52 119.74 120.68 2rq9 s LYS 113 Ca 0.53 0.56 -0.14 0.00 -0.36 0.00 0.00 55.97 56.56 2rq9 s LYS 113 Cb -0.35 -3.56 -0.12 0.00 -1.51 0.00 0.00 37.83 32.29 2rq9 s LYS 113 CO 0.39 -0.18 -0.24 0.54 -0.36 0.00 0.00 175.35 175.50 2rq9 n ARG 114 N 4.83 0.00 -0.04 4.03 3.00 -1.26 -4.73 116.66 122.50 2rq9 n ARG 114 Ca -0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.68 2rq9 n ARG 114 Cb 0.50 -0.81 -0.11 0.00 0.00 0.00 0.00 32.46 32.04 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 -0.21 0.02 0.49 -0.13 0.00 0.17 -3.15 103.07 100.26 2rq9 h GLY 115 Ca -0.34 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2rq9 h GLY 115 CO 0.30 0.03 0.00 -1.55 0.00 0.00 0.00 176.54 175.32 2rq9 n PRO 116 N -4.71 0.75 -1.84 4.80 -0.04 -1.26 -2.95 135.00 129.75 2rq9 n PRO 116 Ca -0.09 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.11 2rq9 n PRO 116 Cb 0.38 -1.25 0.04 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.75 3.37 -4.48 0.54 5.12 -1.19 -5.01 116.66 114.25 2rq9 n ARG 117 Ca 0.09 -3.95 -0.23 0.00 -1.93 0.00 0.00 57.85 51.83 2rq9 n ARG 117 Cb 0.04 -2.27 -0.11 0.00 -1.16 0.00 0.00 32.46 28.97 2rq9 n ARG 117 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2rq9 s THR 118 N -4.62 1.52 0.08 0.55 -4.23 -1.15 -4.73 115.64 103.05 2rq9 s THR 118 Ca 0.54 -2.04 -0.10 0.00 -1.18 0.00 0.00 61.69 58.91 2rq9 s THR 118 Cb 0.43 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 71.53 2rq9 s THR 118 CO 0.03 -0.09 0.21 -1.00 -0.54 0.00 0.00 174.62 173.23 2rq9 s HIS 119 N -3.07 0.09 -0.36 3.99 3.76 -1.26 -4.95 115.29 113.49 2rq9 s HIS 119 Ca 0.34 -0.44 -0.21 0.00 -0.15 0.00 0.00 55.06 54.60 2rq9 s HIS 119 Cb 0.08 -0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.75 2rq9 s HIS 119 CO 0.15 -0.52 0.65 -0.47 -0.85 0.00 0.00 174.74 173.70 2rq9 s TYR 120 N -3.46 3.14 0.00 1.40 5.04 -1.26 -3.74 117.35 118.47 2rq9 s TYR 120 Ca 0.02 0.36 0.00 0.00 -2.44 0.00 0.00 57.07 55.00 2rq9 s TYR 120 Cb 0.03 -3.18 0.00 0.00 0.35 0.00 0.00 41.96 39.16 2rq9 s TYR 120 CO -0.09 -0.65 0.00 0.41 -1.34 0.00 0.00 175.55 173.88 2rq9 n GLY 121 N 4.67 0.50 3.88 8.97 0.00 -1.26 -5.13 105.19 116.82 2rq9 n GLY 121 Ca -0.01 0.00 -0.30 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 0.00 3.77 0.00 1.61 -0.21 -1.24 -4.96 119.66 118.63 2rq9 s GLN 122 Ca 0.00 0.44 0.30 0.00 0.02 0.00 0.00 55.36 56.13 2rq9 s GLN 122 Cb 0.00 -2.41 1.53 0.00 1.00 0.00 0.00 33.01 33.13 2rq9 s GLN 122 CO 0.00 -0.02 2.05 1.17 -2.12 0.00 0.00 175.29 176.37 2rq9 n LYS 123 N -1.25 0.52 0.05 2.91 4.81 -1.26 -3.79 118.16 120.14 2rq9 n LYS 123 Ca 0.02 -0.03 -0.03 0.00 -0.87 0.00 0.00 58.31 57.40 2rq9 n LYS 123 Cb 0.54 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.08 2rq9 n LYS 123 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rq9 h ALA 124 N 3.51 -0.27 -0.99 3.14 0.00 -1.93 -3.22 119.26 119.50 2rq9 h ALA 124 Ca 0.00 -0.04 0.29 0.00 0.00 0.00 0.00 54.91 55.16 2rq9 h ALA 124 Cb 0.26 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2rq9 h ALA 124 CO 0.00 -0.26 0.95 -0.84 0.00 0.00 0.00 179.25 179.10 2rq9 h ILE 125 N -0.64 0.18 -3.01 0.00 3.07 -1.87 -3.39 117.51 111.85 2rq9 h ILE 125 Ca -0.02 0.00 -0.54 0.00 1.55 0.00 0.00 64.86 65.86 2rq9 h ILE 125 Cb 0.14 0.27 0.01 0.00 -0.27 0.00 0.00 36.82 36.96 2rq9 h ILE 125 CO 0.03 0.00 0.73 -0.76 -1.05 0.00 0.00 178.15 177.10 2rq9 s LEU 126 N -7.24 4.35 0.01 0.16 1.43 -1.21 -4.26 118.68 111.92 2rq9 s LEU 126 Ca -0.04 2.17 0.03 0.00 -1.03 0.00 0.00 54.13 55.26 2rq9 s LEU 126 Cb 0.18 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 2rq9 s LEU 126 CO 0.60 -0.64 -0.09 -0.36 0.23 0.00 0.00 176.35 176.10 2rq9 s PHE 127 N 1.58 0.78 -0.14 0.29 0.08 0.50 -4.61 117.98 116.47 2rq9 s PHE 127 Ca 0.63 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 57.43 2rq9 s PHE 127 Cb -0.33 -0.48 0.04 0.00 -0.57 0.00 0.00 43.02 41.68 2rq9 s PHE 127 CO 0.28 -0.02 -0.01 -1.17 -0.10 0.00 0.00 175.22 174.21 2rq9 s LEU 128 N -0.61 1.10 -0.23 -0.37 1.98 -1.05 0.78 118.68 120.28 2rq9 s LEU 128 Ca 0.00 -0.47 -0.29 0.00 -2.89 0.00 0.00 54.13 50.48 2rq9 s LEU 128 Cb -0.05 -0.66 -0.01 0.00 0.66 0.00 0.00 46.19 46.13 2rq9 s LEU 128 CO 0.00 -0.21 1.31 -2.16 -1.89 0.00 0.00 176.35 173.40 2rq9 s PRO 129 N 1.82 4.06 0.10 0.98 0.04 -1.25 -0.32 135.00 140.43 2rq9 s PRO 129 Ca 0.02 1.49 -0.17 0.00 0.04 0.00 0.00 61.00 62.37 2rq9 s PRO 129 Cb -0.14 -3.84 -0.07 0.00 0.04 0.00 0.00 34.50 30.49 2rq9 s PRO 129 CO -0.07 -0.93 0.56 -0.51 0.04 0.00 0.00 177.00 176.09 2rq9 s LEU 130 N 4.01 4.45 -0.18 -3.56 1.43 0.34 -4.85 118.68 120.32 2rq9 s LEU 130 Ca 0.57 1.19 -0.29 0.00 -1.03 0.00 0.00 54.13 54.57 2rq9 s LEU 130 Cb -0.20 -3.04 -0.01 0.00 0.03 0.00 0.00 46.19 42.97 2rq9 s LEU 130 CO 0.20 0.21 1.28 -2.16 0.23 0.00 0.00 176.35 176.11 2rq9 s PRO 131 N -1.43 4.20 0.04 1.29 0.04 -1.26 -1.87 135.00 136.00 2rq9 s PRO 131 Ca 0.32 1.64 0.07 0.00 0.04 0.00 0.00 61.00 63.07 2rq9 s PRO 131 Cb -0.18 -3.79 -0.02 0.00 0.04 0.00 0.00 34.50 30.55 2rq9 s PRO 131 CO 0.19 -0.76 -0.20 0.54 0.04 0.00 0.00 177.00 176.81 2rq9 s VAL 132 N 3.62 1.59 0.00 -0.36 0.11 -1.24 -4.86 120.40 119.25 2rq9 s VAL 132 Ca 0.56 -1.17 0.00 0.00 -2.93 0.00 0.00 61.98 58.44 2rq9 s VAL 132 Cb -0.22 -1.38 0.00 0.00 -1.53 0.00 0.00 36.38 33.25 2rq9 s VAL 132 CO 0.16 0.18 0.00 -0.24 -3.33 0.00 0.00 175.10 171.87 2rq9 n SER 133 N 1.86 0.00 -2.52 3.54 2.88 -1.26 -4.15 113.62 113.96 2rq9 n SER 133 Ca -0.17 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.34 2rq9 n SER 133 Cb 0.53 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.98 2rq9 n SER 133 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2rq9 n SER 134 N 3.60 -4.41 -3.69 -3.46 2.88 -1.26 -5.05 113.62 102.23 2rq9 n SER 134 Ca 0.00 1.42 -0.12 0.00 -1.33 0.00 0.00 58.87 58.84 2rq9 n SER 134 Cb 0.00 -4.20 -0.09 0.00 -0.75 0.00 0.00 64.21 59.17 2rq9 n SER 134 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2rq9 s ASP 135 N -0.46 -0.59 0.27 -3.46 -1.08 -1.26 -5.12 116.67 104.98 2rq9 s ASP 135 Ca -0.12 1.07 0.00 0.00 -0.52 0.00 0.00 52.55 52.98 2rq9 s ASP 135 Cb 0.01 1.03 0.00 0.00 -1.46 0.00 0.00 42.92 42.49 2rq9 s ASP 135 CO 0.31 -0.19 0.00 -0.11 0.52 0.00 0.00 175.17 175.70 2rq9 n LEU 136 N 3.40 0.00 0.00 -1.34 7.94 -1.26 -4.89 117.00 120.85 2rq9 n LEU 136 Ca -0.17 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 2rq9 n LEU 136 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 2rq9 n LEU 136 CO 0.08 -0.38 0.00 -0.62 -1.11 0.00 0.00 177.39 175.36 2rq9 n GLU 137 N -0.48 0.00 -0.78 1.96 1.02 -1.26 -5.13 120.64 115.98 2rq9 n GLU 137 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2rq9 n GLU 137 Cb 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 31.55 2rq9 n GLU 137 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2rq9 n HIS 138 N 0.00 -1.51 -3.58 -0.32 -0.00 -1.26 -5.02 115.22 103.52 2rq9 n HIS 138 Ca 0.00 0.21 -0.06 0.00 -0.00 0.00 0.00 57.72 57.88 2rq9 n HIS 138 Cb 0.00 -1.74 -0.02 0.00 -0.00 0.00 0.00 29.99 28.23 2rq9 n HIS 138 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2rq9 s HIS 139 N -2.36 -0.18 0.02 1.57 -0.00 -1.26 -5.18 115.29 107.90 2rq9 s HIS 139 Ca 0.56 0.16 0.01 0.00 -0.00 0.00 0.00 55.06 55.79 2rq9 s HIS 139 Cb -0.19 0.51 -0.02 0.00 -0.00 0.00 0.00 32.58 32.88 2rq9 s HIS 139 CO 0.67 -0.26 -0.04 -3.38 -0.00 0.00 0.00 174.74 171.73 2rq9 s HIS 140 N -2.29 0.35 -0.06 0.38 -3.43 -1.26 -5.08 115.29 103.89 2rq9 s HIS 140 Ca 0.07 -0.40 -0.03 0.00 -0.80 0.00 0.00 55.06 53.90 2rq9 s HIS 140 Cb -0.01 -0.23 -0.01 0.00 -1.43 0.00 0.00 32.58 30.90 2rq9 s HIS 140 CO -0.05 -0.12 0.13 1.12 -2.00 0.00 0.00 174.74 173.82 2rq9 h HIS 141 N 4.95 -0.09 -3.47 0.38 2.07 -2.06 -3.50 115.15 113.44 2rq9 h HIS 141 Ca -0.31 -0.00 0.37 0.00 -2.85 0.00 0.00 60.37 57.58 2rq9 h HIS 141 Cb 1.21 0.03 -0.16 0.00 2.57 0.00 0.00 27.41 31.05 2rq9 h HIS 141 CO 0.60 -0.05 -1.01 1.58 -3.07 0.00 0.00 177.93 175.97 2rq9 n HIS 142 N -4.09 -3.85 0.00 6.12 -0.00 -1.26 -5.39 115.22 106.75 2rq9 n HIS 142 Ca -0.01 2.05 0.00 0.00 -0.00 0.00 0.00 57.72 59.76 2rq9 n HIS 142 Cb 0.04 -3.50 0.00 0.00 -0.00 0.00 0.00 29.99 26.52 2rq9 n HIS 142 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06