#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qgw s MET 2 N 0.00 3.95 0.00 0.00 0.00 -1.26 -5.11 119.30 116.88 1qgw s MET 2 Ca 0.00 2.12 0.00 0.00 0.00 0.00 0.00 55.69 57.81 1qgw s MET 2 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 34.83 30.75 1qgw s MET 2 CO 0.00 -1.14 0.00 -0.40 0.00 0.00 0.00 175.02 173.48 1qgw n ASP 3 N 8.10 0.00 0.00 1.11 5.68 -1.26 -5.15 116.55 125.03 1qgw n ASP 3 Ca 0.20 0.05 0.00 0.00 -0.50 0.00 0.00 54.79 54.54 1qgw n ASP 3 Cb 0.43 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 1qgw n ASP 3 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1qgw n SER 5 N -2.39 0.00 -1.42 -1.12 3.41 -1.26 -5.10 113.62 105.75 1qgw n SER 5 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.42 1qgw n SER 5 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1qgw n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qgw n ALA 6 N 0.00 -0.28 -2.29 7.33 0.00 -1.26 -4.84 120.51 119.17 1qgw n ALA 6 Ca 0.00 0.30 -0.32 0.00 0.00 0.00 0.00 53.44 53.42 1qgw n ALA 6 Cb 0.00 -1.93 -0.05 0.00 0.00 0.00 0.00 19.45 17.46 1qgw n ALA 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1qgw s LYS 7 N -3.56 3.86 0.15 0.00 1.02 -1.26 -0.61 119.74 119.34 1qgw s LYS 7 Ca 0.00 0.43 -0.07 0.00 0.02 0.00 0.00 55.97 56.35 1qgw s LYS 7 Cb 0.00 -2.53 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 1qgw s LYS 7 CO 0.00 0.20 0.23 0.00 -0.92 0.00 0.00 175.35 174.86 1qgw s ALA 8 N -1.97 0.17 -0.43 5.17 0.00 -0.61 -4.90 121.76 119.20 1qgw s ALA 8 Ca 0.50 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 51.18 1qgw s ALA 8 Cb -0.11 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.87 1qgw s ALA 8 CO 0.22 -0.60 1.26 -1.25 0.00 0.00 0.00 175.76 175.39 1qgw s PRO 9 N -3.98 3.70 -0.31 0.00 0.04 -1.26 -1.92 135.00 131.27 1qgw s PRO 9 Ca 0.18 0.81 -0.21 0.00 0.04 0.00 0.00 61.00 61.82 1qgw s PRO 9 Cb 0.04 -3.94 -0.01 0.00 0.04 0.00 0.00 34.50 30.63 1qgw s PRO 9 CO -0.00 -1.41 0.66 0.08 0.04 0.00 0.00 177.00 176.36 1qgw s VAL 10 N 4.81 4.91 -0.17 -0.36 1.01 0.48 -4.92 120.40 126.17 1qgw s VAL 10 Ca 0.54 0.86 -0.07 0.00 0.00 0.00 0.00 61.98 63.32 1qgw s VAL 10 Cb -0.11 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1qgw s VAL 10 CO 0.30 -0.19 0.06 -0.63 0.00 0.00 0.00 175.10 174.65 1qgw s ILE 11 N 2.68 4.80 -0.15 2.22 1.01 -1.26 -1.59 121.20 128.91 1qgw s ILE 11 Ca 0.26 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.89 1qgw s ILE 11 Cb -0.15 -3.14 0.02 0.00 0.01 0.00 0.00 42.46 39.20 1qgw s ILE 11 CO 0.12 0.49 -0.17 -0.89 0.00 0.00 0.00 174.94 174.50 1qgw s THR 12 N 0.10 1.73 -0.48 2.92 2.01 -0.02 -4.99 115.64 116.91 1qgw s THR 12 Ca 0.05 -0.75 -0.17 0.00 0.31 0.00 0.00 61.69 61.13 1qgw s THR 12 Cb -0.12 -1.58 0.06 0.00 0.01 0.00 0.00 72.50 70.87 1qgw s THR 12 CO 0.01 0.49 0.48 -0.63 -0.69 0.00 0.00 174.62 174.27 1qgw s ILE 13 N 1.24 5.09 -0.86 1.82 -1.09 -1.26 -0.89 121.20 125.25 1qgw s ILE 13 Ca 0.01 -0.81 -0.14 0.00 -2.23 0.00 0.00 60.65 57.47 1qgw s ILE 13 Cb -0.14 -4.18 0.22 0.00 -1.58 0.00 0.00 42.46 36.77 1qgw s ILE 13 CO -0.08 -0.65 0.83 -0.36 -1.23 0.00 0.00 174.94 173.45 1qgw s PHE 14 N 2.03 3.74 -0.73 3.97 0.08 0.26 -4.97 117.98 122.35 1qgw s PHE 14 Ca 0.09 -1.99 -0.17 0.00 0.12 0.00 0.00 56.93 54.98 1qgw s PHE 14 Cb -0.22 -3.87 0.15 0.00 -0.57 0.00 0.00 43.02 38.52 1qgw s PHE 14 CO 0.09 -1.04 0.78 0.34 -0.10 0.00 0.00 175.22 175.30 1qgw s ASP 15 N 2.24 6.47 -0.36 1.36 2.15 -1.26 -0.35 116.67 126.92 1qgw s ASP 15 Ca 0.20 -2.04 0.05 0.00 0.43 0.00 0.00 52.55 51.20 1qgw s ASP 15 Cb -0.09 -2.28 0.46 0.00 -0.30 0.00 0.00 42.92 40.71 1qgw s ASP 15 CO -0.09 -0.88 1.35 1.41 -0.17 0.00 0.00 175.17 176.78 1qgw n HIS 16 N 5.42 2.81 -1.64 -5.34 8.25 -0.82 -5.03 115.22 118.87 1qgw n HIS 16 Ca 0.05 -2.36 -0.48 0.00 -0.26 0.00 0.00 57.72 54.66 1qgw n HIS 16 Cb 0.45 -0.54 -0.05 0.00 1.12 0.00 0.00 29.99 30.97 1qgw n HIS 16 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1qgw n ARG 17 N -0.75 1.76 -0.70 -0.41 1.74 -1.18 -1.85 116.66 115.27 1qgw n ARG 17 Ca 0.47 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 58.19 1qgw n ARG 17 Cb 0.91 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1qgw n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qgw n GLY 18 N 3.05 0.80 3.73 -0.13 0.00 -1.26 -5.02 105.19 106.36 1qgw n GLY 18 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1qgw n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qgw h SER 20 N 5.85 0.00 -3.02 0.00 4.64 -1.95 -3.42 113.55 115.65 1qgw h SER 20 Ca -0.43 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.32 1qgw h SER 20 Cb 1.21 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 1qgw h SER 20 CO 0.74 0.00 0.87 -0.60 -0.87 0.00 0.00 176.83 176.96 1qgw s ARG 21 N -3.30 4.21 0.32 4.77 3.00 -1.26 -4.99 118.95 121.69 1qgw s ARG 21 Ca 0.06 1.48 -0.28 0.00 -1.00 0.00 0.00 55.73 55.99 1qgw s ARG 21 Cb 0.09 -3.72 -0.09 0.00 0.00 0.00 0.00 34.95 31.22 1qgw s ARG 21 CO 0.57 -0.72 1.11 0.00 0.00 0.00 0.00 175.30 176.26 1qgw s ALA 22 N 3.46 3.33 0.44 6.12 0.00 -1.26 -4.99 121.76 128.86 1qgw s ALA 22 Ca 0.50 0.89 -0.24 0.00 0.00 0.00 0.00 51.96 53.12 1qgw s ALA 22 Cb -0.18 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 1qgw s ALA 22 CO 0.12 -0.24 1.05 -2.30 0.00 0.00 0.00 175.76 174.40 1qgw n PRO 23 N 0.83 1.41 0.00 0.00 -0.02 -1.26 -4.88 135.00 131.09 1qgw n PRO 23 Ca 0.01 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1qgw n PRO 23 Cb 0.46 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1qgw n PRO 23 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1qgw n LYS 24 N 0.03 1.11 -0.03 -0.52 2.85 -1.26 -4.99 118.16 115.35 1qgw n LYS 24 Ca 0.09 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.19 1qgw n LYS 24 Cb 0.40 -0.17 -0.07 0.00 -0.65 0.00 0.00 35.03 34.53 1qgw n LYS 24 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1qgw h GLU 25 N 0.00 0.70 -6.21 -1.58 3.07 -2.03 -3.41 114.58 105.12 1qgw h GLU 25 Ca 0.00 -0.56 -0.56 0.00 -0.50 0.00 0.00 59.36 57.74 1qgw h GLU 25 Cb 0.00 0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 27.98 1qgw h GLU 25 CO 0.00 1.17 0.72 -0.47 -1.40 0.00 0.00 179.01 179.04 1qgw s TYR 26 N -3.76 3.25 -0.24 4.33 5.04 -1.26 -4.92 117.35 119.79 1qgw s TYR 26 Ca -0.11 1.35 0.05 0.00 -2.44 0.00 0.00 57.07 55.92 1qgw s TYR 26 Cb 0.08 -3.33 0.13 0.00 0.35 0.00 0.00 41.96 39.18 1qgw s TYR 26 CO 0.87 -0.87 1.09 0.25 -1.34 0.00 0.00 175.55 175.56 1qgw n THR 27 N 4.91 1.16 -0.72 4.34 -2.24 -1.26 -5.04 114.28 115.42 1qgw n THR 27 Ca 0.11 -1.18 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 1qgw n THR 27 Cb 0.47 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1qgw n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qgw n GLY 28 N -0.37 -1.68 3.77 3.38 0.00 -1.26 -5.00 105.19 104.03 1qgw n GLY 28 Ca 0.05 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 1qgw n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qgw s ALA 29 N -3.56 2.64 0.32 4.61 0.00 -1.26 -5.01 121.76 119.50 1qgw s ALA 29 Ca 0.00 0.84 -0.12 0.00 0.00 0.00 0.00 51.96 52.68 1qgw s ALA 29 Cb 0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 1qgw s ALA 29 CO 0.00 -0.91 0.69 0.15 0.00 0.00 0.00 175.76 175.70 1qgw s LYS 30 N -3.37 3.87 0.09 0.00 1.02 -1.26 -5.01 119.74 115.07 1qgw s LYS 30 Ca 0.73 0.48 0.16 0.00 0.02 0.00 0.00 55.97 57.36 1qgw s LYS 30 Cb -0.25 -2.48 -0.12 0.00 -0.52 0.00 0.00 37.83 34.46 1qgw s LYS 30 CO 0.30 0.14 0.91 0.00 -0.92 0.00 0.00 175.35 175.77 1qgw h ALA 31 N 2.00 0.65 -2.23 5.17 0.00 -1.95 -3.49 119.26 119.42 1qgw h ALA 31 Ca -0.47 -0.83 -0.10 0.00 0.00 0.00 0.00 54.91 53.51 1qgw h ALA 31 Cb 1.18 0.23 0.04 0.00 0.00 0.00 0.00 17.79 19.24 1qgw h ALA 31 CO 0.66 0.92 -0.17 0.41 0.00 0.00 0.00 179.25 181.07 1qgw n GLY 32 N 1.38 0.58 0.00 0.00 0.00 -1.26 -5.00 105.19 100.89 1qgw n GLY 32 Ca -0.08 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1qgw n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qgw n GLY 33 N -0.88 1.37 0.30 -0.02 0.00 -1.26 -5.03 105.19 99.66 1qgw n GLY 33 Ca 0.00 -0.63 0.19 0.00 0.00 0.00 0.00 46.02 45.58 1qgw n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qgw h LYS 34 N 0.00 0.00 0.00 1.61 1.57 -2.01 -0.73 116.57 117.02 1qgw h LYS 34 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qgw h LYS 34 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1qgw h LYS 34 CO 0.00 0.03 0.00 -0.44 -0.57 0.00 0.00 179.45 178.47 1qgw h ASP 35 N 0.00 0.00 0.49 0.86 3.32 -1.96 -0.39 116.42 118.74 1qgw h ASP 35 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qgw h ASP 35 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1qgw h ASP 35 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 1qgw n ASP 36 N -2.80 0.00 -0.66 6.45 8.00 -0.28 -2.80 116.55 124.46 1qgw n ASP 36 Ca -0.02 -0.18 0.06 0.00 0.71 0.00 0.00 54.79 55.35 1qgw n ASP 36 Cb 0.08 -0.26 0.17 0.00 -0.02 0.00 0.00 41.12 41.09 1qgw n ASP 36 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1qgw n GLU 37 N -1.26 2.89 -4.06 -1.24 1.02 -0.16 -4.85 120.64 112.98 1qgw n GLU 37 Ca 0.14 -2.18 -0.11 0.00 -0.02 0.00 0.00 57.16 54.99 1qgw n GLU 37 Cb 0.21 -1.37 -0.11 0.00 -0.02 0.00 0.00 31.44 30.16 1qgw n GLU 37 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1qgw s MET 38 N -1.34 0.53 -0.12 3.49 -1.94 -1.12 -1.95 119.30 116.86 1qgw s MET 38 Ca 0.26 -0.85 -0.25 0.00 -1.71 0.00 0.00 55.69 53.14 1qgw s MET 38 Cb 0.16 -0.16 0.06 0.00 2.01 0.00 0.00 34.83 36.90 1qgw s MET 38 CO 0.14 0.01 0.61 0.00 -0.01 0.00 0.00 175.02 175.77 1qgw s MET 39 N -2.06 0.88 -0.23 2.03 0.23 0.52 -4.93 119.30 115.74 1qgw s MET 39 Ca -0.07 0.45 -0.09 0.00 -1.03 0.00 0.00 55.69 54.95 1qgw s MET 39 Cb -0.06 0.42 -0.04 0.00 -1.53 0.00 0.00 34.83 33.61 1qgw s MET 39 CO -0.01 -0.21 0.12 0.08 -2.03 0.00 0.00 175.02 172.96 1qgw s VAL 40 N -0.59 5.01 -0.08 5.16 1.01 -1.26 -0.58 120.40 129.07 1qgw s VAL 40 Ca -0.07 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1qgw s VAL 40 Cb -0.02 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1qgw s VAL 40 CO 0.06 0.37 -0.03 -0.75 0.00 0.00 0.00 175.10 174.75 1qgw s LYS 41 N 1.03 2.93 0.03 2.72 2.20 -0.07 -4.99 119.74 123.60 1qgw s LYS 41 Ca 0.06 -0.46 0.02 0.00 -0.36 0.00 0.00 55.97 55.22 1qgw s LYS 41 Cb -0.14 -2.72 -0.02 0.00 -1.51 0.00 0.00 37.83 33.44 1qgw s LYS 41 CO 0.04 0.67 -0.07 0.00 -0.36 0.00 0.00 175.35 175.63 1qgw s ALA 42 N -0.79 0.46 -0.20 3.13 0.00 -1.26 -0.84 121.76 122.26 1qgw s ALA 42 Ca 0.12 -0.68 -0.15 0.00 0.00 0.00 0.00 51.96 51.25 1qgw s ALA 42 Cb -0.11 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.12 1qgw s ALA 42 CO 0.02 -0.04 0.51 -1.14 0.00 0.00 0.00 175.76 175.11 1qgw s GLN 43 N -1.42 0.55 -0.28 0.00 0.74 -0.62 -4.97 119.66 113.66 1qgw s GLN 43 Ca -0.10 0.81 -0.29 0.00 0.05 0.00 0.00 55.36 55.83 1qgw s GLN 43 Cb -0.09 0.17 -0.00 0.00 1.10 0.00 0.00 33.01 34.19 1qgw s GLN 43 CO 0.00 -0.11 1.34 0.45 -0.55 0.00 0.00 175.29 176.42 1qgw s SER 44 N 0.81 6.66 -0.03 6.67 0.15 -1.26 -0.39 113.70 126.32 1qgw s SER 44 Ca -0.04 1.30 0.02 0.00 0.70 0.00 0.00 55.95 57.93 1qgw s SER 44 Cb -0.05 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.72 1qgw s SER 44 CO -0.06 -1.07 -0.09 -0.69 1.20 0.00 0.00 173.24 172.53 1qgw s VAL 45 N 4.38 0.79 -0.07 4.45 1.01 -0.81 -4.95 120.40 125.21 1qgw s VAL 45 Ca 0.58 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 1qgw s VAL 45 Cb -0.18 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 1qgw s VAL 45 CO 0.23 0.25 1.59 -0.75 0.00 0.00 0.00 175.10 176.42 1qgw s LYS 46 N 0.27 4.19 -0.10 2.72 2.20 -1.26 -1.57 119.74 126.18 1qgw s LYS 46 Ca -0.04 2.11 -0.28 0.00 -0.36 0.00 0.00 55.97 57.40 1qgw s LYS 46 Cb -0.09 -3.94 -0.02 0.00 -1.51 0.00 0.00 37.83 32.27 1qgw s LYS 46 CO 0.01 -0.82 0.92 0.42 -0.36 0.00 0.00 175.35 175.52 1qgw s ILE 47 N 3.90 4.85 0.02 5.43 -1.09 0.22 -4.96 121.20 129.57 1qgw s ILE 47 Ca 0.71 1.86 0.05 0.00 -2.23 0.00 0.00 60.65 61.04 1qgw s ILE 47 Cb -0.32 -4.23 -0.02 0.00 -1.58 0.00 0.00 42.46 36.31 1qgw s ILE 47 CO 0.27 0.06 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.29 1qgw s GLU 48 N 1.77 1.09 -0.04 2.79 2.02 -1.26 -4.93 118.70 120.13 1qgw s GLU 48 Ca 0.45 -0.68 0.04 0.00 0.02 0.00 0.00 54.97 54.80 1qgw s GLU 48 Cb -0.18 -1.09 -0.00 0.00 0.10 0.00 0.00 34.13 32.96 1qgw s GLU 48 CO 0.18 0.28 -0.16 0.08 0.02 0.00 0.00 175.26 175.66 1qgw s VAL 49 N -0.63 1.37 0.56 2.63 1.01 -1.26 -5.14 120.40 118.93 1qgw s VAL 49 Ca 0.04 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 1qgw s VAL 49 Cb -0.07 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 1qgw s VAL 49 CO 0.01 0.40 0.88 -0.94 0.00 0.00 0.00 175.10 175.44 1qgw s SER 50 N 0.08 5.96 0.28 3.32 1.04 -1.26 -4.94 113.70 118.18 1qgw s SER 50 Ca -0.04 0.93 -0.02 0.00 0.48 0.00 0.00 55.95 57.30 1qgw s SER 50 Cb -0.11 -2.06 0.43 0.00 0.10 0.00 0.00 66.02 64.37 1qgw s SER 50 CO 0.02 -0.85 1.91 0.71 0.98 0.00 0.00 173.24 176.02 1qgw h THR 51 N -0.06 1.13 -0.42 2.02 1.35 -2.01 -1.50 112.91 113.42 1qgw h THR 51 Ca -0.46 -0.40 -0.02 0.00 -0.55 0.00 0.00 66.41 64.98 1qgw h THR 51 Cb 1.22 -0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.49 1qgw h THR 51 CO 0.61 0.21 0.17 1.23 -0.25 0.00 0.00 175.52 177.50 1qgw h GLY 52 N 1.16 0.67 0.98 5.82 0.00 -1.99 0.12 103.07 109.83 1qgw h GLY 52 Ca 0.39 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.37 1qgw h GLY 52 CO -0.14 0.34 0.31 -0.84 0.00 0.00 0.00 176.54 176.22 1qgw h THR 53 N 0.54 1.11 -0.79 4.70 2.02 -1.90 -0.27 112.91 118.31 1qgw h THR 53 Ca 0.14 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1qgw h THR 53 Cb 0.18 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1qgw h THR 53 CO -0.01 0.12 0.42 0.00 0.37 0.00 0.00 175.52 176.41 1qgw h ALA 54 N 1.18 1.02 -0.63 6.16 0.00 -0.91 -1.03 119.26 125.06 1qgw h ALA 54 Ca 0.18 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1qgw h ALA 54 Cb -0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 1qgw h ALA 54 CO -0.05 0.54 0.14 0.93 0.00 0.00 0.00 179.25 180.82 1qgw h GLU 55 N 1.10 0.99 -0.66 0.00 5.08 -0.52 -1.45 114.58 119.12 1qgw h GLU 55 Ca 0.28 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1qgw h GLU 55 Cb 0.06 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1qgw h GLU 55 CO -0.04 0.88 0.11 0.78 -1.00 0.00 0.00 179.01 179.74 1qgw h GLY 56 N 1.04 1.17 1.31 -3.84 0.00 -0.33 -1.19 103.07 101.23 1qgw h GLY 56 Ca 0.20 -0.78 -0.14 0.00 0.00 0.00 0.00 47.33 46.61 1qgw h GLY 56 CO 0.00 0.72 -0.36 -2.08 0.00 0.00 0.00 176.54 174.82 1qgw h VAL 57 N 1.01 1.28 -0.28 4.60 2.07 -1.06 -1.30 116.25 122.58 1qgw h VAL 57 Ca 0.20 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.20 1qgw h VAL 57 Cb 0.44 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1qgw h VAL 57 CO 0.01 0.50 0.17 0.25 0.02 0.00 0.00 177.57 178.52 1qgw h LEU 58 N 0.63 0.27 -0.66 2.57 5.85 -1.05 -0.14 115.31 122.78 1qgw h LEU 58 Ca 0.06 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1qgw h LEU 58 Cb 0.91 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 1qgw h LEU 58 CO 0.08 0.20 0.38 0.00 -0.34 0.00 0.00 178.44 178.76 1qgw h ALA 59 N 1.12 0.84 -0.27 1.25 0.00 -1.03 -0.76 119.26 120.41 1qgw h ALA 59 Ca 0.11 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1qgw h ALA 59 Cb -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1qgw h ALA 59 CO -0.05 0.34 0.14 1.15 0.00 0.00 0.00 179.25 180.84 1qgw h THR 60 N 0.90 1.01 -0.64 0.00 2.02 -1.03 -1.89 112.91 113.29 1qgw h THR 60 Ca 0.23 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 1qgw h THR 60 Cb 0.01 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1qgw h THR 60 CO -0.04 0.05 0.30 0.28 0.37 0.00 0.00 175.52 176.48 1qgw h SER 61 N 0.30 0.84 -0.70 4.18 0.02 -0.66 -0.69 113.55 116.85 1qgw h SER 61 Ca 0.11 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 1qgw h SER 61 Cb 0.02 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 1qgw h SER 61 CO -0.07 0.74 0.25 -0.07 -1.14 0.00 0.00 176.83 176.55 1qgw h LEU 62 N 0.88 1.01 -0.64 5.07 3.38 -1.05 -0.43 115.31 123.53 1qgw h LEU 62 Ca 0.22 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1qgw h LEU 62 Cb 0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1qgw h LEU 62 CO -0.03 0.92 -0.57 0.00 0.09 0.00 0.00 178.44 178.85 1qgw h ALA 63 N 1.22 0.87 0.00 1.53 0.00 -0.96 -3.26 119.26 118.66 1qgw h ALA 63 Ca 0.24 -0.52 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 1qgw h ALA 63 Cb 0.26 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1qgw h ALA 63 CO -0.01 0.72 -1.58 1.63 0.00 0.00 0.00 179.25 180.01 1qgw n LYS 64 N -3.59 0.63 -1.51 0.00 5.02 -0.30 -4.92 118.16 113.49 1qgw n LYS 64 Ca -0.00 0.17 -0.31 0.00 -2.02 0.00 0.00 58.31 56.15 1qgw n LYS 64 Cb 0.63 -1.76 0.06 0.00 -0.02 0.00 0.00 35.03 33.95 1qgw n LYS 64 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qgw s MET 65 N -2.90 2.69 0.21 1.97 0.23 -0.19 -4.99 119.30 116.32 1qgw s MET 65 Ca -0.04 0.95 0.00 0.00 -1.03 0.00 0.00 55.69 55.56 1qgw s MET 65 Cb 0.09 -1.96 0.00 0.00 -1.53 0.00 0.00 34.83 31.42 1qgw s MET 65 CO 0.82 -1.27 0.00 0.25 -2.03 0.00 0.00 175.02 172.79 1qgw n THR 66 N -3.24 0.49 -1.62 3.16 -2.24 -1.26 -4.97 114.28 104.59 1qgw n THR 66 Ca 0.08 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 1qgw n THR 66 Cb 0.54 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1qgw n THR 66 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79