#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qgw n MET 2 N 0.00 2.13 -0.02 0.00 1.56 -1.26 -5.12 117.12 114.42 1qgw n MET 2 Ca 0.00 0.74 -0.02 0.00 -0.27 0.00 0.00 57.70 58.15 1qgw n MET 2 Cb 0.00 -2.77 -0.01 0.00 2.15 0.00 0.00 33.22 32.59 1qgw n MET 2 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 1qgw n ASP 3 N 7.89 0.49 0.00 6.12 5.68 -1.26 -5.15 116.55 130.32 1qgw n ASP 3 Ca 0.25 0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.63 1qgw n ASP 3 Cb 0.33 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 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 -2.99 0.00 -0.48 -1.12 3.41 -1.26 -5.10 113.62 106.09 1qgw n SER 5 Ca -0.03 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.51 1qgw n SER 5 Cb 0.12 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 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 -0.09 -2.07 7.33 0.00 -1.26 -4.82 120.51 119.60 1qgw n ALA 6 Ca 0.00 0.10 -0.36 0.00 0.00 0.00 0.00 53.44 53.18 1qgw n ALA 6 Cb 0.00 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.13 4.30 0.05 0.00 1.02 -1.26 -0.65 119.74 121.07 1qgw s LYS 7 Ca 0.00 0.92 -0.17 0.00 0.02 0.00 0.00 55.97 56.75 1qgw s LYS 7 Cb 0.00 -2.89 0.03 0.00 -0.52 0.00 0.00 37.83 34.45 1qgw s LYS 7 CO 0.00 0.39 0.38 0.00 -0.92 0.00 0.00 175.35 175.21 1qgw s ALA 8 N -1.52 -0.92 0.15 5.17 0.00 -0.73 -4.93 121.76 118.99 1qgw s ALA 8 Ca 0.43 0.20 -0.33 0.00 0.00 0.00 0.00 51.96 52.26 1qgw s ALA 8 Cb -0.17 0.37 -0.12 0.00 0.00 0.00 0.00 23.12 23.20 1qgw s ALA 8 CO 0.21 -0.46 1.71 -2.30 0.00 0.00 0.00 175.76 174.92 1qgw n PRO 9 N 0.45 2.51 -3.75 0.00 -0.02 -1.26 -2.48 135.00 130.44 1qgw n PRO 9 Ca -0.18 0.91 -0.38 0.00 -2.02 0.00 0.00 63.50 61.83 1qgw n PRO 9 Cb 0.60 -2.74 -0.12 0.00 -0.02 0.00 0.00 33.50 31.22 1qgw n PRO 9 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1qgw s GLN 10 N 1.62 2.73 -0.16 -0.52 0.74 0.15 -4.94 119.66 119.28 1qgw s GLN 10 Ca 0.79 -1.10 -0.08 0.00 0.05 0.00 0.00 55.36 55.02 1qgw s GLN 10 Cb -0.58 -3.44 -0.04 0.00 1.10 0.00 0.00 33.01 30.05 1qgw s GLN 10 CO 0.37 -0.61 0.12 0.42 -0.55 0.00 0.00 175.29 175.03 1qgw s ILE 11 N 1.43 5.31 -0.13 -2.34 1.01 -1.26 -1.01 121.20 124.21 1qgw s ILE 11 Ca -0.01 0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.81 1qgw s ILE 11 Cb -0.19 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 38.93 1qgw s ILE 11 CO 0.03 0.52 -0.18 -0.89 0.00 0.00 0.00 174.94 174.42 1qgw s THR 12 N -0.23 1.72 -0.29 2.92 2.01 -0.04 -4.99 115.64 116.74 1qgw s THR 12 Ca 0.10 -0.77 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 1qgw s THR 12 Cb -0.12 -1.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.82 1qgw s THR 12 CO 0.01 0.48 0.14 -0.63 -0.69 0.00 0.00 174.62 173.94 1qgw s ILE 13 N 0.99 4.71 -0.50 1.82 -1.09 -1.26 -0.84 121.20 125.04 1qgw s ILE 13 Ca -0.05 -0.23 -0.05 0.00 -2.23 0.00 0.00 60.65 58.09 1qgw s ILE 13 Cb -0.15 -3.32 0.13 0.00 -1.58 0.00 0.00 42.46 37.54 1qgw s ILE 13 CO -0.03 0.17 0.32 -0.36 -1.23 0.00 0.00 174.94 173.81 1qgw s PHE 14 N 1.65 3.51 -0.98 3.97 0.40 0.22 -4.99 117.98 121.75 1qgw s PHE 14 Ca 0.06 -2.33 -0.15 0.00 -0.60 0.00 0.00 56.93 53.90 1qgw s PHE 14 Cb -0.16 -3.32 0.18 0.00 0.51 0.00 0.00 43.02 40.23 1qgw s PHE 14 CO 0.07 -0.95 1.09 0.34 0.70 0.00 0.00 175.22 176.47 1qgw s ASP 15 N 1.79 6.83 -0.40 1.36 2.15 -1.26 -1.16 116.67 125.97 1qgw s ASP 15 Ca 0.10 -2.57 0.05 0.00 0.43 0.00 0.00 52.55 50.56 1qgw s ASP 15 Cb -0.23 -2.33 0.47 0.00 -0.30 0.00 0.00 42.92 40.53 1qgw s ASP 15 CO -0.03 -0.79 1.51 1.41 -0.17 0.00 0.00 175.17 177.10 1qgw n HIS 16 N 5.28 2.52 -1.69 -5.34 8.25 -0.96 -5.01 115.22 118.28 1qgw n HIS 16 Ca 0.24 -2.32 -0.45 0.00 -0.26 0.00 0.00 57.72 54.93 1qgw n HIS 16 Cb 0.46 -0.71 -0.04 0.00 1.12 0.00 0.00 29.99 30.83 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 -0.87 2.44 -0.50 -0.41 1.74 -1.15 -1.23 116.66 116.68 1qgw n ARG 17 Ca 0.47 0.88 0.00 0.00 -0.77 0.00 0.00 57.85 58.44 1qgw n ARG 17 Cb 0.90 -2.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 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 3.86 1.48 3.73 -0.13 0.00 -1.26 -5.02 105.19 107.84 1qgw n GLY 18 Ca 0.18 0.00 -0.42 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 n SER 20 N 3.27 0.09 -4.62 0.00 3.41 -1.26 -4.58 113.62 109.93 1qgw n SER 20 Ca 0.10 0.51 -0.43 0.00 -0.26 0.00 0.00 58.87 58.79 1qgw n SER 20 Cb 0.41 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.80 1qgw n SER 20 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1qgw s ARG 21 N -3.01 3.85 0.28 4.33 3.00 -1.26 -4.98 118.95 121.15 1qgw s ARG 21 Ca 0.13 1.14 -0.29 0.00 -1.00 0.00 0.00 55.73 55.71 1qgw s ARG 21 Cb 0.18 -3.90 -0.10 0.00 0.00 0.00 0.00 34.95 31.13 1qgw s ARG 21 CO 0.52 -1.21 1.26 0.00 0.00 0.00 0.00 175.30 175.88 1qgw s ALA 22 N 4.53 3.49 0.32 6.12 0.00 -1.26 -4.96 121.76 130.00 1qgw s ALA 22 Ca 0.56 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 53.36 1qgw s ALA 22 Cb -0.15 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 19.41 1qgw s ALA 22 CO 0.25 -0.50 1.54 -1.25 0.00 0.00 0.00 175.76 175.80 1qgw s PRO 23 N -1.21 4.13 0.00 0.00 0.05 -1.26 -4.91 135.00 131.79 1qgw s PRO 23 Ca 0.50 2.55 0.00 0.00 0.05 0.00 0.00 61.00 64.10 1qgw s PRO 23 Cb -0.37 -3.01 0.00 0.00 0.05 0.00 0.00 34.50 31.17 1qgw s PRO 23 CO 0.46 -0.57 0.31 0.36 0.05 0.00 0.00 177.00 177.61 1qgw n LYS 24 N 1.55 0.00 0.00 4.56 2.85 -1.26 -4.94 118.16 120.92 1qgw n LYS 24 Ca 0.05 -0.31 0.05 0.00 -1.05 0.00 0.00 58.31 57.05 1qgw n LYS 24 Cb 0.38 -0.40 -0.05 0.00 -0.65 0.00 0.00 35.03 34.31 1qgw n LYS 24 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1qgw n GLU 25 N 0.00 3.47 -1.60 -1.58 4.71 -1.26 -5.00 120.64 119.38 1qgw n GLU 25 Ca 0.00 -0.10 -0.30 0.00 -0.01 0.00 0.00 57.16 56.75 1qgw n GLU 25 Cb 0.44 -0.99 0.08 0.00 -1.01 0.00 0.00 31.44 29.97 1qgw n GLU 25 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1qgw s SER 26 N -1.84 4.71 0.00 1.62 1.04 -1.26 -5.00 113.70 112.97 1qgw s SER 26 Ca 0.05 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.79 1qgw s SER 26 Cb 0.08 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 64.13 1qgw s SER 26 CO 0.38 -1.83 0.06 0.35 0.98 0.00 0.00 173.24 173.18 1qgw n THR 27 N -3.34 0.00 -0.79 2.02 -2.24 -1.26 -4.85 114.28 103.82 1qgw n THR 27 Ca 0.07 -0.16 0.08 0.00 -2.27 0.00 0.00 64.05 61.77 1qgw n THR 27 Cb 0.56 1.25 0.23 0.00 -2.10 0.00 0.00 70.33 70.27 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 0.20 3.73 5.44 3.38 0.00 -1.26 -5.09 105.19 111.59 1qgw n GLY 28 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1qgw n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qgw n GLY 29 N -0.27 -1.91 3.70 -0.02 0.00 -1.26 -4.97 105.19 100.46 1qgw n GLY 29 Ca 0.19 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 1qgw n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qgw s LYS 30 N 0.00 2.94 0.26 1.61 -0.14 -1.26 -4.99 119.74 118.16 1qgw s LYS 30 Ca 0.00 -0.47 0.24 0.00 -1.36 0.00 0.00 55.97 54.38 1qgw s LYS 30 Cb 0.00 -2.77 0.38 0.00 -1.68 0.00 0.00 37.83 33.76 1qgw s LYS 30 CO 0.00 0.68 1.46 0.00 -0.76 0.00 0.00 175.35 176.73 1qgw h ALA 31 N 4.78 0.80 -2.86 5.17 0.00 -1.93 -3.48 119.26 121.75 1qgw h ALA 31 Ca -0.50 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 1qgw h ALA 31 Cb 1.19 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.03 1qgw h ALA 31 CO 0.56 0.00 -0.29 0.41 0.00 0.00 0.00 179.25 179.93 1qgw n GLY 32 N 1.22 0.25 0.00 0.00 0.00 -1.26 -4.99 105.19 100.40 1qgw n GLY 32 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.14 1.18 0.11 -0.02 0.00 -1.26 -5.04 105.19 99.02 1qgw n GLY 33 Ca -0.01 -0.74 0.11 0.00 0.00 0.00 0.00 46.02 45.37 1qgw n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qgw n GLN 34 N 0.00 0.16 0.32 1.61 10.64 -1.26 -1.26 117.38 127.59 1qgw n GLN 34 Ca 0.00 0.41 0.20 0.00 -1.83 0.00 0.00 57.00 55.78 1qgw n GLN 34 Cb 0.00 -1.82 1.10 0.00 -0.86 0.00 0.00 30.24 28.66 1qgw n GLN 34 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 1qgw h ASP 35 N 0.00 0.00 0.39 2.61 3.32 -1.96 -1.59 116.42 119.19 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 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 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 -3.29 0.00 -0.07 6.45 8.00 -0.39 -2.49 116.55 124.76 1qgw n ASP 36 Ca -0.03 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.53 1qgw n ASP 36 Cb 0.12 -0.29 0.08 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.29 2.12 -4.21 -1.24 1.02 -0.60 -4.88 120.64 111.56 1qgw n GLU 37 Ca 0.10 -2.09 -0.15 0.00 -0.02 0.00 0.00 57.16 54.99 1qgw n GLU 37 Cb 0.16 -1.28 -0.11 0.00 -0.02 0.00 0.00 31.44 30.20 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 -2.00 0.95 -0.16 3.49 -1.94 -1.04 -2.26 119.30 116.35 1qgw s MET 38 Ca 0.18 -1.25 -0.24 0.00 -1.71 0.00 0.00 55.69 52.67 1qgw s MET 38 Cb 0.15 -0.66 0.06 0.00 2.01 0.00 0.00 34.83 36.39 1qgw s MET 38 CO 0.02 0.11 0.61 1.41 -0.01 0.00 0.00 175.02 177.15 1qgw s MET 39 N -2.99 0.82 -0.20 2.03 0.00 -0.31 -4.94 119.30 113.70 1qgw s MET 39 Ca 0.09 0.57 -0.05 0.00 0.00 0.00 0.00 55.69 56.31 1qgw s MET 39 Cb -0.02 0.39 -0.02 0.00 0.00 0.00 0.00 34.83 35.18 1qgw s MET 39 CO 0.01 -0.17 -0.01 0.08 0.00 0.00 0.00 175.02 174.93 1qgw s VAL 40 N -0.30 3.85 -0.12 10.11 1.01 -1.26 -0.61 120.40 133.07 1qgw s VAL 40 Ca -0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 1qgw s VAL 40 Cb -0.03 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1qgw s VAL 40 CO 0.04 0.42 -0.04 -0.75 0.00 0.00 0.00 175.10 174.77 1qgw s LYS 41 N 1.09 3.35 -0.08 2.72 2.20 -0.02 -4.99 119.74 124.02 1qgw s LYS 41 Ca 0.02 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.14 1qgw s LYS 41 Cb -0.14 -2.81 0.01 0.00 -1.51 0.00 0.00 37.83 33.38 1qgw s LYS 41 CO 0.01 0.40 -0.13 0.08 -0.36 0.00 0.00 175.35 175.36 1qgw s VAL 42 N -0.09 1.23 0.24 4.02 1.01 -1.26 -0.86 120.40 124.69 1qgw s VAL 42 Ca 0.02 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1qgw s VAL 42 Cb -0.13 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1qgw s VAL 42 CO 0.03 0.38 -0.11 0.00 0.00 0.00 0.00 175.10 175.40 1qgw s ALA 43 N 0.78 2.18 -0.32 5.51 0.00 -0.18 -4.95 121.76 124.77 1qgw s ALA 43 Ca -0.12 -1.77 -0.05 0.00 0.00 0.00 0.00 51.96 50.02 1qgw s ALA 43 Cb -0.16 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.04 1qgw s ALA 43 CO 0.02 0.01 0.07 0.45 0.00 0.00 0.00 175.76 176.32 1qgw s SER 44 N -3.38 5.16 0.05 0.00 0.15 -1.26 0.30 113.70 114.72 1qgw s SER 44 Ca 0.26 -1.14 0.04 0.00 0.70 0.00 0.00 55.95 55.80 1qgw s SER 44 Cb 0.01 -1.82 -0.03 0.00 -1.71 0.00 0.00 66.02 62.47 1qgw s SER 44 CO 0.09 -0.29 -0.11 0.42 1.20 0.00 0.00 173.24 174.55 1qgw s THR 45 N 1.37 0.80 0.16 6.45 -4.23 -1.04 -4.91 115.64 114.24 1qgw s THR 45 Ca -0.02 -1.17 -0.30 0.00 -1.18 0.00 0.00 61.69 59.01 1qgw s THR 45 Cb -0.19 -0.82 -0.07 0.00 1.34 0.00 0.00 72.50 72.75 1qgw s THR 45 CO 0.02 -0.30 1.19 -0.75 -0.54 0.00 0.00 174.62 174.24 1qgw s LYS 46 N -1.63 4.48 -0.12 3.99 2.20 -1.26 -1.77 119.74 125.63 1qgw s LYS 46 Ca -0.06 1.84 -0.20 0.00 -0.36 0.00 0.00 55.97 57.19 1qgw s LYS 46 Cb -0.10 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 1qgw s LYS 46 CO 0.01 -0.12 0.56 0.08 -0.36 0.00 0.00 175.35 175.52 1qgw s VAL 47 N 0.21 5.12 0.00 4.02 1.01 0.18 -4.94 120.40 125.99 1qgw s VAL 47 Ca 0.54 1.10 0.01 0.00 0.00 0.00 0.00 61.98 63.63 1qgw s VAL 47 Cb -0.32 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 1qgw s VAL 47 CO 0.35 0.26 -0.03 0.42 0.00 0.00 0.00 175.10 176.10 1qgw s THR 48 N 0.94 0.22 -0.10 3.92 -4.23 -1.26 -4.91 115.64 110.23 1qgw s THR 48 Ca 0.29 -0.19 0.02 0.00 -1.18 0.00 0.00 61.69 60.62 1qgw s THR 48 Cb -0.16 -0.21 0.02 0.00 1.34 0.00 0.00 72.50 73.49 1qgw s THR 48 CO 0.12 0.02 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.39 1qgw s VAL 49 N -0.18 1.34 0.66 2.29 1.01 -1.26 -5.14 120.40 119.11 1qgw s VAL 49 Ca -0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 1qgw s VAL 49 Cb -0.02 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1qgw s VAL 49 CO -0.00 0.41 1.06 -0.94 0.00 0.00 0.00 175.10 175.63 1qgw s SER 50 N 1.00 5.49 0.29 3.32 1.04 -1.26 -4.90 113.70 118.67 1qgw s SER 50 Ca -0.07 1.73 -0.01 0.00 0.48 0.00 0.00 55.95 58.08 1qgw s SER 50 Cb -0.15 -2.51 0.44 0.00 0.10 0.00 0.00 66.02 63.90 1qgw s SER 50 CO -0.01 -1.37 1.86 -0.33 0.98 0.00 0.00 173.24 174.37 1qgw h GLU 51 N -0.23 0.83 -0.46 4.02 5.08 -2.00 -1.30 114.58 120.51 1qgw h GLU 51 Ca -0.45 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 57.67 1qgw h GLU 51 Cb 1.22 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1qgw h GLU 51 CO 0.57 0.71 -0.08 0.66 -1.00 0.00 0.00 179.01 179.86 1qgw h SER 52 N 0.81 0.81 -0.57 1.42 4.64 -2.00 -0.68 113.55 117.99 1qgw h SER 52 Ca 0.19 -0.24 -0.11 0.00 -0.47 0.00 0.00 61.79 61.16 1qgw h SER 52 Cb 0.23 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1qgw h SER 52 CO -0.01 0.92 -0.06 0.44 -0.87 0.00 0.00 176.83 177.25 1qgw h ASP 53 N 0.75 1.04 -0.65 4.97 3.32 -1.85 -2.04 116.42 121.96 1qgw h ASP 53 Ca 0.13 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 56.87 1qgw h ASP 53 Cb 0.57 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1qgw h ASP 53 CO 0.03 1.12 0.43 0.00 -1.72 0.00 0.00 179.24 179.10 1qgw h ALA 54 N 0.97 1.55 -0.64 3.45 0.00 -0.85 -1.81 119.26 121.93 1qgw h ALA 54 Ca 0.16 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1qgw h ALA 54 Cb 0.62 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1qgw h ALA 54 CO 0.04 0.41 0.13 0.00 0.00 0.00 0.00 179.25 179.83 1qgw h ALA 55 N 1.60 1.01 -0.89 0.00 0.00 -0.76 -0.80 119.26 119.42 1qgw h ALA 55 Ca 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qgw h ALA 55 Cb -0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 1qgw h ALA 55 CO -0.05 0.64 0.56 0.87 0.00 0.00 0.00 179.25 181.26 1qgw h LYS 56 N 0.98 1.19 -0.38 0.00 1.57 -0.92 -2.35 116.57 116.65 1qgw h LYS 56 Ca 0.20 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 1qgw h LYS 56 Cb 0.39 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1qgw h LYS 56 CO 0.01 0.82 -0.32 0.87 -0.57 0.00 0.00 179.45 180.25 1qgw h LYS 57 N 1.21 0.89 -0.98 3.15 1.79 -0.99 -2.89 116.57 118.74 1qgw h LYS 57 Ca 0.32 -0.45 0.05 0.00 -2.18 0.00 0.00 60.65 58.39 1qgw h LYS 57 Cb -0.09 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.51 1qgw h LYS 57 CO -0.06 1.10 0.64 1.25 -1.08 0.00 0.00 179.45 181.29 1qgw h LEU 58 N 0.70 1.05 -1.64 2.94 5.85 -1.00 0.14 115.31 123.35 1qgw h LEU 58 Ca 0.07 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1qgw h LEU 58 Cb 0.91 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1qgw h LEU 58 CO 0.08 0.70 -0.19 -0.61 -0.34 0.00 0.00 178.44 178.08 1qgw h GLN 59 N 1.20 0.00 -0.03 1.25 -0.00 -1.25 -0.64 115.11 115.65 1qgw h GLN 59 Ca 0.41 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.99 1qgw h GLN 59 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.56 1qgw h GLN 59 CO -0.14 0.19 -0.23 0.93 0.00 0.00 0.00 178.83 179.57 1qgw h GLU 60 N 0.00 0.20 -0.17 1.69 5.08 -1.14 -3.38 114.58 116.86 1qgw h GLU 60 Ca -0.00 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1qgw h GLU 60 Cb 0.33 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1qgw h GLU 60 CO 0.02 0.87 -0.25 0.74 -1.00 0.00 0.00 179.01 179.39 1qgw h PHE 61 N -0.39 0.34 0.00 4.33 0.04 -0.11 -3.24 116.94 117.91 1qgw h PHE 61 Ca -0.02 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1qgw h PHE 61 Cb 0.93 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.99 1qgw h PHE 61 CO 0.16 0.55 0.00 1.51 -0.60 0.00 0.00 178.31 179.92 1qgw n ILE 62 N -4.15 0.76 1.01 -0.55 3.06 -0.31 -2.11 119.36 117.08 1qgw n ILE 62 Ca -0.01 0.19 0.11 0.00 -2.50 0.00 0.00 62.75 60.55 1qgw n ILE 62 Cb 0.38 -0.90 0.04 0.00 0.54 0.00 0.00 39.64 39.70 1qgw n ILE 62 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1qgw n THR 63 N -1.45 0.00 -3.45 9.51 -2.24 -1.22 -4.99 114.28 110.44 1qgw n THR 63 Ca 0.05 -0.35 -0.19 0.00 -2.27 0.00 0.00 64.05 61.29 1qgw n THR 63 Cb 0.18 1.34 0.08 0.00 -2.10 0.00 0.00 70.33 69.83 1qgw n THR 63 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1qgw n PHE 64 N 0.50 -2.41 -2.98 4.78 3.72 -0.90 -5.03 117.46 115.14 1qgw n PHE 64 Ca 0.11 0.93 -0.20 0.00 -0.05 0.00 0.00 57.45 58.24 1qgw n PHE 64 Cb 0.52 -4.88 0.07 0.00 -0.94 0.00 0.00 39.48 34.25 1qgw n PHE 64 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1qgw s GLU 65 N -5.76 2.17 0.28 -1.08 0.41 -1.26 -4.99 118.70 108.46 1qgw s GLU 65 Ca 0.28 -1.62 -0.03 0.00 -0.41 0.00 0.00 54.97 53.18 1qgw s GLU 65 Cb -0.12 -2.60 -0.01 0.00 -1.78 0.00 0.00 34.13 29.61 1qgw s GLU 65 CO 0.69 -1.00 0.36 -1.59 -0.49 0.00 0.00 175.26 173.23 1qgw s LYS 66 N -4.76 1.62 0.12 1.61 -2.85 -1.26 -5.05 119.74 109.18 1qgw s LYS 66 Ca 0.63 -1.64 -0.01 0.00 -1.00 0.00 0.00 55.97 53.95 1qgw s LYS 66 Cb -0.05 0.39 0.03 0.00 -2.06 0.00 0.00 37.83 36.13 1qgw s LYS 66 CO 0.40 -0.63 0.17 0.41 0.10 0.00 0.00 175.35 175.80 1qgw n GLY 67 N -0.45 -0.26 0.14 0.59 0.00 -1.26 -5.01 105.19 98.93 1qgw n GLY 67 Ca 0.02 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 1qgw n GLY 67 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qgw h ILE 68 N -0.78 1.32 -4.19 -0.61 1.08 -2.03 -3.45 117.51 108.85 1qgw h ILE 68 Ca -0.06 -1.18 -0.51 0.00 -0.39 0.00 0.00 64.86 62.73 1qgw h ILE 68 Cb 0.17 1.74 0.10 0.00 -3.07 0.00 0.00 36.82 35.77 1qgw h ILE 68 CO 0.05 0.35 0.38 -1.81 -0.69 0.00 0.00 178.15 176.42 1qgw s ASP 69 N -6.05 5.10 0.00 1.72 1.01 -1.26 -4.92 116.67 112.27 1qgw s ASP 69 Ca -0.14 2.02 0.00 0.00 0.71 0.00 0.00 52.55 55.14 1qgw s ASP 69 Cb 0.06 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.43 1qgw s ASP 69 CO 0.75 -1.64 0.00 0.61 0.21 0.00 0.00 175.17 175.10 1qgw n GLY 70 N -0.46 -0.37 3.77 0.21 0.00 -1.26 -4.95 105.19 102.13 1qgw n GLY 70 Ca 0.11 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 1qgw n GLY 70 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qgw s PRO 71 N -3.12 3.30 -0.36 1.61 0.04 -1.26 -5.02 135.00 130.20 1qgw s PRO 71 Ca 0.00 1.60 -0.28 0.00 0.04 0.00 0.00 61.00 62.37 1qgw s PRO 71 Cb 0.00 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.56 1qgw s PRO 71 CO 0.00 -0.89 1.02 0.12 0.04 0.00 0.00 177.00 177.28 1qgw s PHE 72 N -1.81 3.08 -0.33 0.56 5.36 -1.26 -4.90 117.98 118.68 1qgw s PHE 72 Ca 0.72 0.96 0.03 0.00 -0.96 0.00 0.00 56.93 57.68 1qgw s PHE 72 Cb -0.24 -3.76 0.01 0.00 -0.34 0.00 0.00 43.02 38.69 1qgw s PHE 72 CO 0.28 -0.85 0.45 0.25 -1.46 0.00 0.00 175.22 173.89 1qgw n THR 73 N 6.03 0.00 -1.98 0.12 -2.24 -1.26 -5.02 114.28 109.93 1qgw n THR 73 Ca 0.10 -0.48 -0.38 0.00 -2.27 0.00 0.00 64.05 61.02 1qgw n THR 73 Cb 0.48 1.05 0.02 0.00 -2.10 0.00 0.00 70.33 69.78 1qgw n THR 73 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1qgw s SER 74 N -0.60 5.61 0.00 3.42 0.15 -1.26 -4.93 113.70 116.10 1qgw s SER 74 Ca 0.03 2.57 0.18 0.00 0.70 0.00 0.00 55.95 59.43 1qgw s SER 74 Cb 0.03 -2.62 0.42 0.00 -1.71 0.00 0.00 66.02 62.14 1qgw s SER 74 CO 0.07 -1.32 1.35 1.17 1.20 0.00 0.00 173.24 175.70 1qgw n LYS 75 N -0.84 2.49 0.00 5.44 4.81 -1.26 -5.22 118.16 123.57 1qgw n LYS 75 Ca 0.09 -2.23 0.00 0.00 -0.87 0.00 0.00 58.31 55.30 1qgw n LYS 75 Cb 0.46 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 34.08 1qgw n LYS 75 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66