#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gn5 s MET 1 N 0.00 4.05 0.36 -0.41 0.00 -1.26 -5.03 119.30 117.00 3gn5 s MET 1 Ca 0.00 -0.29 -0.25 0.00 0.00 0.00 0.00 55.69 55.15 3gn5 s MET 1 Cb 0.00 -3.38 -0.09 0.00 0.00 0.00 0.00 34.83 31.35 3gn5 s MET 1 CO 0.00 0.19 1.01 0.15 0.00 0.00 0.00 175.02 176.37 3gn5 s LYS 2 N 0.66 4.37 0.16 3.16 3.01 -1.26 -0.57 119.74 129.27 3gn5 s LYS 2 Ca 0.06 1.46 -0.31 0.00 -1.01 0.00 0.00 55.97 56.17 3gn5 s LYS 2 Cb -0.12 -2.69 -0.11 0.00 -1.01 0.00 0.00 37.83 33.90 3gn5 s LYS 2 CO 0.01 0.05 1.69 0.00 0.51 0.00 0.00 175.35 177.61 3gn5 n PRO 4 N 4.58 1.26 -0.08 0.00 -0.04 -1.26 -1.51 135.00 137.94 3gn5 n PRO 4 Ca 0.16 -0.39 -0.12 0.00 -0.04 0.00 0.00 63.50 63.10 3gn5 n PRO 4 Cb 0.38 -1.38 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 3gn5 n PRO 4 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3gn5 n VAL 5 N -0.43 1.44 0.50 0.52 0.31 -1.26 -4.74 118.33 114.67 3gn5 n VAL 5 Ca 0.17 0.06 0.12 0.00 -0.01 0.00 0.00 64.34 64.67 3gn5 n VAL 5 Cb 0.17 -2.17 0.11 0.00 -0.91 0.00 0.00 33.84 31.05 3gn5 n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gn5 n HIS 7 N -2.16 -0.60 0.04 0.00 -0.00 -0.57 -4.78 115.22 107.15 3gn5 n HIS 7 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 3gn5 n HIS 7 Cb 0.45 -3.37 0.00 0.00 -0.00 0.00 0.00 29.99 27.08 3gn5 n HIS 7 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 3gn5 n GLN 8 N -2.55 0.00 -1.32 -0.41 6.02 -1.26 -4.91 117.38 112.94 3gn5 n GLN 8 Ca -0.20 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.50 3gn5 n GLN 8 Cb 0.63 -0.26 0.15 0.00 1.02 0.00 0.00 30.24 31.77 3gn5 n GLN 8 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3gn5 s GLY 9 N -3.73 1.59 -0.03 1.08 0.00 -1.26 -4.77 107.32 100.19 3gn5 s GLY 9 Ca 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 44.72 44.30 3gn5 s GLY 9 CO 0.00 0.23 0.29 1.85 0.00 0.00 0.00 173.10 175.47 3gn5 s GLU 10 N -5.07 3.67 -0.28 2.90 2.56 -1.26 -0.64 118.70 120.58 3gn5 s GLU 10 Ca 0.64 0.10 -0.27 0.00 0.00 0.00 0.00 54.97 55.44 3gn5 s GLU 10 Cb -0.17 -3.16 0.01 0.00 2.00 0.00 0.00 34.13 32.81 3gn5 s GLU 10 CO 0.56 0.70 0.98 -1.64 -0.56 0.00 0.00 175.26 175.29 3gn5 s MET 11 N -1.29 4.12 -0.05 4.30 -1.94 0.27 -1.78 119.30 122.93 3gn5 s MET 11 Ca 0.23 1.06 0.06 0.00 -1.71 0.00 0.00 55.69 55.32 3gn5 s MET 11 Cb -0.14 -3.69 -0.01 0.00 2.01 0.00 0.00 34.83 33.00 3gn5 s MET 11 CO 0.11 -0.72 -0.24 0.14 -0.01 0.00 0.00 175.02 174.31 3gn5 s VAL 12 N 3.27 1.93 0.43 -6.03 -7.23 -0.26 -4.61 120.40 107.91 3gn5 s VAL 12 Ca 0.41 -1.01 -0.25 0.00 -1.81 0.00 0.00 61.98 59.32 3gn5 s VAL 12 Cb -0.14 -1.63 -0.08 0.00 0.56 0.00 0.00 36.38 35.09 3gn5 s VAL 12 CO 0.11 0.54 1.33 -0.55 -0.31 0.00 0.00 175.10 176.22 3gn5 s SER 13 N -0.19 6.13 0.11 4.85 0.15 -1.26 -0.83 113.70 122.65 3gn5 s SER 13 Ca -0.02 2.70 -0.16 0.00 0.70 0.00 0.00 55.95 59.18 3gn5 s SER 13 Cb -0.13 -2.64 0.06 0.00 -1.71 0.00 0.00 66.02 61.60 3gn5 s SER 13 CO 0.03 -0.98 0.75 0.61 1.20 0.00 0.00 173.24 174.84 3gn5 n GLY 14 N 0.64 0.74 2.81 9.45 0.00 -0.50 -4.89 105.19 113.44 3gn5 n GLY 14 Ca 0.05 -1.07 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 3gn5 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gn5 s ILE 15 N -2.19 0.64 0.08 -0.61 1.01 -1.26 -2.31 121.20 116.56 3gn5 s ILE 15 Ca 0.17 -0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.72 3gn5 s ILE 15 Cb -0.02 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 3gn5 s ILE 15 CO 0.03 0.22 -0.12 -0.54 0.00 0.00 0.00 174.94 174.53 3gn5 s LYS 16 N 1.86 0.83 -0.12 2.79 1.02 -0.31 -4.83 119.74 120.97 3gn5 s LYS 16 Ca 0.04 -1.04 -0.19 0.00 0.02 0.00 0.00 55.97 54.80 3gn5 s LYS 16 Cb -0.13 -0.70 -0.04 0.00 -0.52 0.00 0.00 37.83 36.44 3gn5 s LYS 16 CO -0.07 0.14 0.51 -0.51 -0.92 0.00 0.00 175.35 174.50 3gn5 s ASP 17 N -2.04 6.71 -0.21 2.83 1.01 -1.26 -0.42 116.67 123.29 3gn5 s ASP 17 Ca 0.01 0.84 -0.00 0.00 0.71 0.00 0.00 52.55 54.11 3gn5 s ASP 17 Cb -0.07 -2.30 0.02 0.00 1.01 0.00 0.00 42.92 41.58 3gn5 s ASP 17 CO 0.02 -0.03 -0.13 -0.63 0.21 0.00 0.00 175.17 174.61 3gn5 s ILE 18 N 0.74 2.54 0.39 0.77 1.01 0.84 -4.90 121.20 122.59 3gn5 s ILE 18 Ca 0.27 -0.92 -0.26 0.00 0.00 0.00 0.00 60.65 59.73 3gn5 s ILE 18 Cb -0.15 -2.18 -0.09 0.00 0.01 0.00 0.00 42.46 40.05 3gn5 s ILE 18 CO 0.11 0.39 1.28 -2.84 0.00 0.00 0.00 174.94 173.87 3gn5 s PRO 19 N 1.32 4.06 -0.12 2.79 0.02 -1.26 0.80 135.00 142.61 3gn5 s PRO 19 Ca 0.03 2.11 -0.08 0.00 0.02 0.00 0.00 61.00 63.07 3gn5 s PRO 19 Cb -0.15 -2.81 0.04 0.00 0.02 0.00 0.00 34.50 31.61 3gn5 s PRO 19 CO -0.08 -0.39 0.30 -0.47 -0.33 0.00 0.00 177.00 176.03 3gn5 s TYR 20 N -1.26 -0.39 -0.06 6.54 5.04 -0.37 -4.85 117.35 121.99 3gn5 s TYR 20 Ca 0.55 0.91 0.06 0.00 -2.44 0.00 0.00 57.07 56.15 3gn5 s TYR 20 Cb -0.37 0.12 -0.01 0.00 0.35 0.00 0.00 41.96 42.05 3gn5 s TYR 20 CO 0.48 -0.23 -0.24 0.99 -1.34 0.00 0.00 175.55 175.20 3gn5 s THR 21 N 0.87 2.11 -0.12 4.34 2.01 -1.26 -0.66 115.64 122.93 3gn5 s THR 21 Ca -0.06 -1.04 -0.05 0.00 0.31 0.00 0.00 61.69 60.85 3gn5 s THR 21 Cb -0.07 -1.77 0.06 0.00 0.01 0.00 0.00 72.50 70.73 3gn5 s THR 21 CO -0.06 0.57 0.26 0.12 -0.69 0.00 0.00 174.62 174.82 3gn5 s PHE 22 N -0.15 -0.39 -1.52 4.92 5.36 0.12 -4.91 117.98 121.41 3gn5 s PHE 22 Ca -0.04 0.91 -0.09 0.00 -0.96 0.00 0.00 56.93 56.75 3gn5 s PHE 22 Cb -0.14 0.00 0.07 0.00 -0.34 0.00 0.00 43.02 42.61 3gn5 s PHE 22 CO 0.04 -0.31 0.69 0.54 -1.46 0.00 0.00 175.22 174.72 3gn5 n ARG 23 N 4.91 -3.93 -0.87 10.12 1.74 -1.26 -1.21 116.66 126.15 3gn5 n ARG 23 Ca -0.14 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 3gn5 n ARG 23 Cb 0.51 -4.99 0.00 0.00 -1.02 0.00 0.00 32.46 26.96 3gn5 n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gn5 n GLY 24 N -1.69 0.64 3.79 -0.13 0.00 -1.26 -4.91 105.19 101.62 3gn5 n GLY 24 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3gn5 n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gn5 s ARG 25 N -0.35 3.35 0.01 1.61 1.81 -0.35 -5.06 118.95 119.96 3gn5 s ARG 25 Ca 0.00 -0.24 0.03 0.00 -1.72 0.00 0.00 55.73 53.80 3gn5 s ARG 25 Cb 0.00 -3.06 -0.03 0.00 -0.45 0.00 0.00 34.95 31.40 3gn5 s ARG 25 CO 0.00 0.70 -0.04 0.15 -0.68 0.00 0.00 175.30 175.44 3gn5 s LYS 26 N -0.84 2.64 0.25 3.54 -0.14 -1.26 -0.70 119.74 123.22 3gn5 s LYS 26 Ca 0.13 -0.69 -0.08 0.00 -1.36 0.00 0.00 55.97 53.97 3gn5 s LYS 26 Cb -0.12 -2.57 -0.01 0.00 -1.68 0.00 0.00 37.83 33.45 3gn5 s LYS 26 CO 0.03 0.61 0.40 -0.08 -0.76 0.00 0.00 175.35 175.54 3gn5 s THR 27 N -1.04 0.00 -0.19 2.17 -1.32 0.16 -5.00 115.64 110.42 3gn5 s THR 27 Ca 0.18 -1.58 -0.00 0.00 -1.21 0.00 0.00 61.69 59.09 3gn5 s THR 27 Cb -0.11 -2.34 0.01 0.00 -1.51 0.00 0.00 72.50 68.55 3gn5 s THR 27 CO 0.09 0.00 -0.16 -0.69 -2.21 0.00 0.00 174.62 171.65 3gn5 s VAL 28 N -3.90 2.42 -0.46 5.08 1.01 -1.26 -1.24 120.40 122.05 3gn5 s VAL 28 Ca 0.28 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 3gn5 s VAL 28 Cb 0.01 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.38 3gn5 s VAL 28 CO 0.11 0.51 1.10 -0.76 0.00 0.00 0.00 175.10 176.06 3gn5 s LEU 29 N 1.32 3.71 0.09 3.92 1.43 0.24 -4.85 118.68 124.54 3gn5 s LEU 29 Ca 0.05 0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 53.43 3gn5 s LEU 29 Cb -0.13 -3.49 -0.07 0.00 0.03 0.00 0.00 46.19 42.52 3gn5 s LEU 29 CO -0.10 -1.19 0.55 -0.54 0.23 0.00 0.00 176.35 175.30 3gn5 s LYS 30 N 4.29 4.12 -1.20 1.70 -0.14 -1.26 -0.11 119.74 127.14 3gn5 s LYS 30 Ca 0.46 0.64 -0.06 0.00 -1.36 0.00 0.00 55.97 55.66 3gn5 s LYS 30 Cb -0.08 -3.14 0.01 0.00 -1.68 0.00 0.00 37.83 32.94 3gn5 s LYS 30 CO 0.30 0.59 1.03 0.41 -0.76 0.00 0.00 175.35 176.92 3gn5 n GLY 31 N 1.44 -0.38 3.61 -3.33 0.00 -1.22 -4.95 105.19 100.35 3gn5 n GLY 31 Ca -0.09 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3gn5 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gn5 s ILE 32 N -3.30 4.62 0.22 -0.61 -1.09 0.44 -4.77 121.20 116.71 3gn5 s ILE 32 Ca 0.38 1.20 -0.30 0.00 -2.23 0.00 0.00 60.65 59.70 3gn5 s ILE 32 Cb -0.17 -4.31 -0.08 0.00 -1.58 0.00 0.00 42.46 36.32 3gn5 s ILE 32 CO 0.67 -0.49 1.05 -1.00 -1.23 0.00 0.00 174.94 173.94 3gn5 s HIS 33 N 3.39 3.69 0.00 3.97 3.76 -1.26 -1.16 115.29 127.69 3gn5 s HIS 33 Ca 0.37 1.72 0.00 0.00 -0.15 0.00 0.00 55.06 57.00 3gn5 s HIS 33 Cb -0.12 -3.20 0.00 0.00 1.11 0.00 0.00 32.58 30.37 3gn5 s HIS 33 CO 0.18 -0.29 0.00 0.41 -0.85 0.00 0.00 174.74 174.18 3gn5 n GLY 34 N 1.65 -0.38 3.74 -2.22 0.00 -0.98 -4.85 105.19 102.15 3gn5 n GLY 34 Ca 0.00 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 3gn5 n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gn5 s LEU 35 N 0.00 4.47 -0.03 0.99 1.43 0.27 -1.40 118.68 124.41 3gn5 s LEU 35 Ca 0.00 1.57 0.05 0.00 -1.03 0.00 0.00 54.13 54.72 3gn5 s LEU 35 Cb 0.00 -3.35 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 3gn5 s LEU 35 CO 0.00 0.00 -0.18 -0.31 0.23 0.00 0.00 176.35 176.09 3gn5 s TYR 36 N -0.11 1.72 0.01 0.29 2.02 -0.01 -0.57 117.35 120.69 3gn5 s TYR 36 Ca 0.41 -0.41 -0.30 0.00 -0.37 0.00 0.00 57.07 56.39 3gn5 s TYR 36 Cb -0.22 -1.13 -0.05 0.00 -0.40 0.00 0.00 41.96 40.16 3gn5 s TYR 36 CO 0.25 -0.10 1.33 0.00 -1.57 0.00 0.00 175.55 175.46 3gn5 h VAL 38 N 4.81 0.89 0.00 0.00 -1.51 -1.68 -0.82 116.25 117.94 3gn5 h VAL 38 Ca -0.38 -0.38 -0.15 0.00 -1.23 0.00 0.00 66.70 64.56 3gn5 h VAL 38 Cb 1.18 1.21 -0.02 0.00 -2.13 0.00 0.00 31.29 31.53 3gn5 h VAL 38 CO 0.88 0.10 -0.88 -0.74 -1.23 0.00 0.00 177.57 175.70 3gn5 h HIS 39 N 0.00 0.00 -0.01 5.19 -0.00 -1.91 -3.42 115.15 115.00 3gn5 h HIS 39 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3gn5 h HIS 39 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.61 3gn5 h HIS 39 CO 0.00 1.16 -0.00 0.00 -0.00 0.00 0.00 177.93 179.08 3gn5 n GLU 41 N 0.49 -1.17 -1.72 0.00 1.02 -0.31 -4.96 120.64 113.99 3gn5 n GLU 41 Ca 0.05 0.53 -0.42 0.00 -0.02 0.00 0.00 57.16 57.30 3gn5 n GLU 41 Cb 0.22 -4.53 -0.01 0.00 -0.02 0.00 0.00 31.44 27.11 3gn5 n GLU 41 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3gn5 n GLU 42 N -1.14 2.28 -4.35 3.49 4.07 -1.26 -4.56 120.64 119.16 3gn5 n GLU 42 Ca -0.04 0.80 -0.33 0.00 -0.06 0.00 0.00 57.16 57.53 3gn5 n GLU 42 Cb 0.36 -2.43 -0.09 0.00 -0.06 0.00 0.00 31.44 29.21 3gn5 n GLU 42 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 3gn5 s SER 43 N -0.20 5.05 -0.12 4.31 1.04 -1.26 -1.05 113.70 121.47 3gn5 s SER 43 Ca 0.56 0.01 -0.00 0.00 0.48 0.00 0.00 55.95 57.00 3gn5 s SER 43 Cb -0.55 -1.33 0.03 0.00 0.10 0.00 0.00 66.02 64.27 3gn5 s SER 43 CO 0.62 0.31 -0.08 -0.63 0.98 0.00 0.00 173.24 174.44 3gn5 s ILE 44 N -1.01 1.05 -0.08 -1.02 1.01 0.26 -4.98 121.20 116.43 3gn5 s ILE 44 Ca 0.17 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.53 3gn5 s ILE 44 Cb -0.11 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 3gn5 s ILE 44 CO 0.07 0.34 -0.24 -0.04 0.00 0.00 0.00 174.94 175.08 3gn5 s MET 45 N 1.69 2.84 0.86 2.79 -1.94 -1.26 -0.57 119.30 123.71 3gn5 s MET 45 Ca 0.05 -0.88 -0.15 0.00 -1.71 0.00 0.00 55.69 53.00 3gn5 s MET 45 Cb -0.13 -2.26 0.21 0.00 2.01 0.00 0.00 34.83 34.66 3gn5 s MET 45 CO -0.08 0.28 0.92 0.27 -0.01 0.00 0.00 175.02 176.39 3gn5 n ASN 46 N 3.25 -1.02 -0.17 3.03 0.23 -1.26 -4.61 115.26 114.71 3gn5 n ASN 46 Ca -0.18 -1.17 -0.02 0.00 -0.53 0.00 0.00 54.58 52.68 3gn5 n ASN 46 Cb 0.53 -0.78 0.07 0.00 -2.08 0.00 0.00 39.78 37.52 3gn5 n ASN 46 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3gn5 h LYS 47 N 0.00 0.38 -0.15 -3.83 3.64 -2.00 0.91 116.57 115.52 3gn5 h LYS 47 Ca -0.32 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 58.94 3gn5 h LYS 47 Cb 0.94 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3gn5 h LYS 47 CO 0.22 0.25 -0.28 0.93 -2.27 0.00 0.00 179.45 178.30 3gn5 h GLU 48 N 0.39 0.46 -0.78 1.90 3.07 -1.99 -1.96 114.58 115.67 3gn5 h GLU 48 Ca 0.26 -0.29 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 3gn5 h GLU 48 Cb 0.27 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.18 3gn5 h GLU 48 CO -0.25 0.89 0.39 0.93 -1.40 0.00 0.00 179.01 179.57 3gn5 h GLU 49 N 0.08 1.10 -0.42 2.33 5.08 -1.85 -1.79 114.58 119.11 3gn5 h GLU 49 Ca 0.01 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 3gn5 h GLU 49 Cb 0.86 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3gn5 h GLU 49 CO 0.06 0.83 -0.20 0.77 -1.00 0.00 0.00 179.01 179.47 3gn5 h SER 50 N 1.10 0.84 -0.09 1.42 0.02 -0.71 -0.78 113.55 115.35 3gn5 h SER 50 Ca 0.27 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3gn5 h SER 50 Cb 0.08 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 3gn5 h SER 50 CO -0.04 1.02 0.06 0.44 -1.14 0.00 0.00 176.83 177.17 3gn5 h ASP 51 N 0.72 0.10 0.20 3.07 3.32 -1.17 0.32 116.42 123.00 3gn5 h ASP 51 Ca 0.10 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3gn5 h ASP 51 Cb 0.73 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3gn5 h ASP 51 CO 0.06 0.08 -0.15 0.00 -1.72 0.00 0.00 179.24 177.51 3gn5 h ALA 52 N 1.03 -0.34 -0.08 3.45 0.00 -1.11 -1.91 119.26 120.30 3gn5 h ALA 52 Ca 0.03 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3gn5 h ALA 52 Cb -0.01 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3gn5 h ALA 52 CO -0.01 -0.70 -0.19 0.35 0.00 0.00 0.00 179.25 178.70 3gn5 h PHE 53 N -0.35 -0.50 -0.22 0.00 3.57 -1.13 -2.47 116.94 115.83 3gn5 h PHE 53 Ca -0.01 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 3gn5 h PHE 53 Cb 0.31 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 3gn5 h PHE 53 CO -0.10 -0.27 -0.14 0.52 -2.23 0.00 0.00 178.31 176.08 3gn5 h MET 54 N -0.27 0.36 -0.67 1.11 2.86 -0.94 -0.24 114.93 117.14 3gn5 h MET 54 Ca 0.08 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3gn5 h MET 54 Cb 0.39 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 3gn5 h MET 54 CO -0.24 0.51 0.44 0.00 1.06 0.00 0.00 176.91 178.69 3gn5 h ALA 55 N 1.51 0.85 -0.32 6.32 0.00 -1.19 0.17 119.26 126.60 3gn5 h ALA 55 Ca 0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3gn5 h ALA 55 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3gn5 h ALA 55 CO 0.03 0.28 -0.07 0.37 0.00 0.00 0.00 179.25 179.85 3gn5 h GLN 56 N 0.91 0.62 -0.12 0.00 4.15 -0.90 -0.29 115.11 119.48 3gn5 h GLN 56 Ca 0.25 -0.24 0.01 0.00 0.77 0.00 0.00 58.65 59.43 3gn5 h GLN 56 Cb -0.10 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 3gn5 h GLN 56 CO -0.05 0.80 0.06 0.28 -1.93 0.00 0.00 178.83 177.99 3gn5 h VAL 57 N 0.40 1.01 -0.06 2.39 2.07 -0.89 -1.88 116.25 119.29 3gn5 h VAL 57 Ca 0.08 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.44 3gn5 h VAL 57 Cb 0.57 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3gn5 h VAL 57 CO 0.03 0.02 -0.49 0.11 0.02 0.00 0.00 177.57 177.26 3gn5 h LYS 58 N 0.13 0.15 -0.58 1.57 1.57 -0.59 -1.16 116.57 117.66 3gn5 h LYS 58 Ca 0.05 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 3gn5 h LYS 58 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3gn5 h LYS 58 CO -0.03 0.61 0.05 0.00 -0.57 0.00 0.00 179.45 179.51 3gn5 h ALA 59 N 1.37 0.98 -0.23 3.86 0.00 -0.91 -1.12 119.26 123.22 3gn5 h ALA 59 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3gn5 h ALA 59 Cb 0.92 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3gn5 h ALA 59 CO 0.07 0.63 0.03 0.35 0.00 0.00 0.00 179.25 180.33 3gn5 h PHE 60 N 0.91 0.41 -0.54 0.00 3.57 -0.79 -2.37 116.94 118.12 3gn5 h PHE 60 Ca 0.18 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.64 3gn5 h PHE 60 Cb 0.47 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 3gn5 h PHE 60 CO 0.03 0.52 0.33 0.00 -2.23 0.00 0.00 178.31 176.96 3gn5 h ARG 61 N 0.17 0.64 -0.78 1.11 3.08 -1.10 -1.28 114.38 116.22 3gn5 h ARG 61 Ca 0.07 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.11 3gn5 h ARG 61 Cb 0.34 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 3gn5 h ARG 61 CO 0.01 0.42 0.50 0.00 -1.07 0.00 0.00 179.97 179.83 3gn5 h ALA 62 N 1.24 1.03 -0.19 0.04 0.00 -1.17 -0.27 119.26 119.93 3gn5 h ALA 62 Ca 0.22 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 3gn5 h ALA 62 Cb 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3gn5 h ALA 62 CO -0.09 0.31 -0.34 0.66 0.00 0.00 0.00 179.25 179.79 3gn5 h SER 63 N 0.97 0.63 -0.30 0.00 4.64 -1.12 -1.53 113.55 116.86 3gn5 h SER 63 Ca 0.31 -0.54 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3gn5 h SER 63 Cb 0.01 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 3gn5 h SER 63 CO -0.11 1.05 0.19 0.58 -0.87 0.00 0.00 176.83 177.67 3gn5 h VAL 64 N 0.24 1.09 -0.90 0.95 2.07 -1.00 -1.33 116.25 117.37 3gn5 h VAL 64 Ca 0.01 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3gn5 h VAL 64 Cb 0.94 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 3gn5 h VAL 64 CO 0.08 0.09 0.60 0.78 0.02 0.00 0.00 177.57 179.13 3gn5 h ASN 65 N 0.39 1.02 -0.14 0.57 2.35 -1.04 0.23 115.58 118.96 3gn5 h ASN 65 Ca 0.11 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 3gn5 h ASN 65 Cb -0.02 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 3gn5 h ASN 65 CO -0.02 0.74 -0.25 0.00 -1.65 0.00 0.00 177.43 176.25 3gn5 h ALA 66 N 1.34 1.00 0.06 -0.83 0.00 -1.04 -3.20 119.26 116.60 3gn5 h ALA 66 Ca 0.33 -0.36 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 3gn5 h ALA 66 Cb -0.12 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.55 3gn5 h ALA 66 CO -0.08 0.59 -1.09 1.49 0.00 0.00 0.00 179.25 180.16 3gn5 h GLU 67 N 0.52 0.44 -6.98 0.00 4.81 -0.92 -3.46 114.58 108.99 3gn5 h GLU 67 Ca 0.07 -0.55 -0.52 0.00 -0.13 0.00 0.00 59.36 58.23 3gn5 h GLU 67 Cb 0.70 0.18 0.08 0.00 0.63 0.00 0.00 28.75 30.34 3gn5 h GLU 67 CO 0.05 1.21 0.54 0.99 -0.73 0.00 0.00 179.01 181.07 3gn5 s THR 68 N -3.05 2.84 0.16 0.32 2.01 0.04 -4.98 115.64 112.97 3gn5 s THR 68 Ca -0.06 0.68 0.09 0.00 0.31 0.00 0.00 61.69 62.71 3gn5 s THR 68 Cb 0.08 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 3gn5 s THR 68 CO 0.89 0.04 -0.14 0.68 -0.69 0.00 0.00 174.62 175.40 3gn5 s VAL 69 N -1.40 2.98 0.43 3.82 -7.23 -1.26 -4.94 120.40 112.80 3gn5 s VAL 69 Ca 0.61 -1.63 -0.24 0.00 -1.81 0.00 0.00 61.98 58.91 3gn5 s VAL 69 Cb -0.33 -2.43 -0.08 0.00 0.56 0.00 0.00 36.38 34.09 3gn5 s VAL 69 CO 0.41 -0.03 1.14 0.00 -0.31 0.00 0.00 175.10 176.31 3gn5 s ALA 70 N -1.49 3.04 0.33 1.32 0.00 -1.26 -4.93 121.76 118.77 3gn5 s ALA 70 Ca 0.22 0.88 0.10 0.00 0.00 0.00 0.00 51.96 53.17 3gn5 s ALA 70 Cb -0.09 -3.35 0.98 0.00 0.00 0.00 0.00 23.12 20.65 3gn5 s ALA 70 CO 0.13 -0.52 1.64 -1.35 0.00 0.00 0.00 175.76 175.66 3gn5 h PRO 71 N 2.29 0.20 -0.62 0.00 0.11 -1.89 -1.48 132.00 130.61 3gn5 h PRO 71 Ca -0.49 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3gn5 h PRO 71 Cb 1.24 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3gn5 h PRO 71 CO 0.61 0.13 0.30 0.93 -0.21 0.00 0.00 178.00 179.76 3gn5 h GLU 72 N 0.21 0.87 -0.39 1.05 3.07 -1.91 -1.73 114.58 115.74 3gn5 h GLU 72 Ca 0.68 -0.11 -0.06 0.00 -0.50 0.00 0.00 59.36 59.38 3gn5 h GLU 72 Cb 1.54 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 29.27 3gn5 h GLU 72 CO -0.68 0.67 0.02 0.35 -1.40 0.00 0.00 179.01 177.98 3gn5 h PHE 73 N 0.87 0.73 -0.32 4.33 3.57 -1.65 -2.08 116.94 122.40 3gn5 h PHE 73 Ca 0.22 -0.12 0.02 0.00 3.53 0.00 0.00 57.97 61.62 3gn5 h PHE 73 Cb 0.09 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 3gn5 h PHE 73 CO 0.01 0.74 0.16 0.82 -2.23 0.00 0.00 178.31 177.81 3gn5 h ILE 74 N 0.51 0.99 -0.53 1.41 2.04 -1.10 -0.57 117.51 120.26 3gn5 h ILE 74 Ca 0.11 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3gn5 h ILE 74 Cb 0.43 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3gn5 h ILE 74 CO 0.02 0.06 0.34 0.58 0.00 0.00 0.00 178.15 179.14 3gn5 h VAL 75 N 0.33 1.15 -0.36 1.67 2.07 -1.29 -0.97 116.25 118.85 3gn5 h VAL 75 Ca 0.13 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3gn5 h VAL 75 Cb 0.05 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3gn5 h VAL 75 CO -0.09 0.14 0.13 0.50 0.02 0.00 0.00 177.57 178.27 3gn5 h LYS 76 N 0.71 0.54 -0.44 1.57 3.64 -0.98 0.13 116.57 121.74 3gn5 h LYS 76 Ca 0.19 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3gn5 h LYS 76 Cb -0.05 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3gn5 h LYS 76 CO -0.04 0.55 0.07 0.28 -2.27 0.00 0.00 179.45 178.04 3gn5 h VAL 77 N 0.42 1.24 -0.53 2.00 2.07 -0.98 -0.07 116.25 120.42 3gn5 h VAL 77 Ca 0.12 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 66.78 3gn5 h VAL 77 Cb 0.22 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3gn5 h VAL 77 CO -0.01 0.31 0.29 -0.09 0.02 0.00 0.00 177.57 178.09 3gn5 h ARG 78 N 0.58 0.55 -0.20 1.57 2.43 -0.90 -2.65 114.38 115.76 3gn5 h ARG 78 Ca 0.13 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 3gn5 h ARG 78 Cb 0.38 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3gn5 h ARG 78 CO 0.01 0.36 -0.47 0.87 -1.51 0.00 0.00 179.97 179.23 3gn5 h LYS 79 N 0.57 0.52 -0.37 0.20 1.57 -0.50 -2.06 116.57 116.49 3gn5 h LYS 79 Ca 0.22 -0.29 0.11 0.00 -1.87 0.00 0.00 60.65 58.82 3gn5 h LYS 79 Cb 0.09 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3gn5 h LYS 79 CO -0.13 0.88 0.30 -0.22 -0.57 0.00 0.00 179.45 179.71 3gn5 h LYS 80 N 0.41 0.00 -0.26 3.15 3.64 -0.78 -0.29 116.57 122.44 3gn5 h LYS 80 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3gn5 h LYS 80 Cb 0.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3gn5 h LYS 80 CO 0.09 0.00 0.00 1.28 -2.27 0.00 0.00 179.45 178.55 3gn5 n LEU 81 N -4.20 2.98 -3.99 5.20 4.77 -0.81 -4.98 117.00 115.97 3gn5 n LEU 81 Ca 0.06 -1.21 -0.28 0.00 -0.03 0.00 0.00 56.01 54.55 3gn5 n LEU 81 Cb 0.48 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 3gn5 n LEU 81 CO 0.33 0.61 -0.16 -1.20 -1.33 0.00 0.00 177.39 175.64 3gn5 n SER 82 N 1.21 -1.30 -4.61 -1.43 7.64 -0.12 -4.99 113.62 110.01 3gn5 n SER 82 Ca 0.18 -0.98 -0.32 0.00 1.01 0.00 0.00 58.87 58.76 3gn5 n SER 82 Cb 0.55 -3.12 -0.10 0.00 -1.01 0.00 0.00 64.21 60.53 3gn5 n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gn5 s LEU 83 N -7.04 3.22 0.90 -3.43 1.43 -1.02 -5.04 118.68 107.70 3gn5 s LEU 83 Ca 0.20 -0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 3gn5 s LEU 83 Cb -0.11 -1.85 0.13 0.00 0.03 0.00 0.00 46.19 44.40 3gn5 s LEU 83 CO 0.89 0.28 1.15 0.42 0.23 0.00 0.00 176.35 179.31 3gn5 s THR 84 N -1.02 1.99 0.34 5.49 -4.23 -1.26 -4.62 115.64 112.33 3gn5 s THR 84 Ca 0.18 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.73 3gn5 s THR 84 Cb -0.11 -2.79 0.17 0.00 1.34 0.00 0.00 72.50 71.12 3gn5 s THR 84 CO 0.08 0.00 1.90 1.56 -0.54 0.00 0.00 174.62 177.62 3gn5 h GLN 85 N -1.46 0.56 -0.32 3.99 4.20 -1.98 -2.18 115.11 117.92 3gn5 h GLN 85 Ca -0.50 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.00 3gn5 h GLN 85 Cb 1.33 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 3gn5 h GLN 85 CO 0.61 0.54 -0.22 -0.22 -0.67 0.00 0.00 178.83 178.88 3gn5 h LYS 86 N 0.54 0.71 -0.48 1.46 3.64 -1.99 -1.60 116.57 118.85 3gn5 h LYS 86 Ca 0.12 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 59.09 3gn5 h LYS 86 Cb 0.26 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3gn5 h LYS 86 CO 0.00 0.94 0.01 0.93 -2.27 0.00 0.00 179.45 179.07 3gn5 h GLU 87 N 0.47 0.84 -0.48 1.90 5.08 -1.90 -2.07 114.58 118.41 3gn5 h GLU 87 Ca 0.06 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3gn5 h GLU 87 Cb 0.77 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3gn5 h GLU 87 CO 0.06 0.88 0.24 0.00 -1.00 0.00 0.00 179.01 179.19 3gn5 h ALA 88 N 0.93 0.62 -0.51 3.43 0.00 -1.36 0.26 119.26 122.62 3gn5 h ALA 88 Ca 0.14 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3gn5 h ALA 88 Cb 0.49 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3gn5 h ALA 88 CO 0.02 0.17 0.26 0.77 0.00 0.00 0.00 179.25 180.47 3gn5 h SER 89 N 0.63 0.37 -0.36 0.00 0.02 -1.17 0.13 113.55 113.18 3gn5 h SER 89 Ca 0.17 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3gn5 h SER 89 Cb 0.10 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3gn5 h SER 89 CO -0.02 0.26 0.15 -0.33 -1.14 0.00 0.00 176.83 175.74 3gn5 h GLU 90 N 0.51 0.53 -0.06 3.45 5.08 -1.05 0.38 114.58 123.42 3gn5 h GLU 90 Ca 0.23 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 3gn5 h GLU 90 Cb 0.14 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.31 3gn5 h GLU 90 CO -0.16 0.51 -0.55 0.82 -1.00 0.00 0.00 179.01 178.63 3gn5 h ILE 91 N 0.43 1.39 0.09 3.13 2.04 -0.15 -3.36 117.51 121.09 3gn5 h ILE 91 Ca 0.12 -1.94 -0.33 0.00 1.00 0.00 0.00 64.86 63.71 3gn5 h ILE 91 Cb 0.17 2.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 3gn5 h ILE 91 CO -0.01 0.57 -1.79 -0.26 0.00 0.00 0.00 178.15 176.66 3gn5 h PHE 92 N 0.02 0.36 0.00 1.37 0.04 -0.84 -3.45 116.94 114.45 3gn5 h PHE 92 Ca -0.05 -0.26 0.00 0.00 2.80 0.00 0.00 57.97 60.45 3gn5 h PHE 92 Cb 1.22 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.36 3gn5 h PHE 92 CO 0.13 1.47 0.00 0.41 -0.60 0.00 0.00 178.31 179.72 3gn5 n GLY 93 N 1.79 2.96 0.00 -1.45 0.00 0.12 -4.77 105.19 103.84 3gn5 n GLY 93 Ca -0.24 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.80 3gn5 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gn5 n GLY 94 N -0.43 1.28 0.00 -0.02 0.00 -1.25 -4.74 105.19 100.03 3gn5 n GLY 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gn5 n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gn5 n GLY 95 N 0.00 0.83 3.74 -0.02 0.00 -1.26 -4.61 105.19 103.87 3gn5 n GLY 95 Ca 0.00 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 3gn5 n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gn5 s VAL 96 N -1.40 2.19 -0.30 1.61 1.01 -1.26 -1.76 120.40 120.49 3gn5 s VAL 96 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 3gn5 s VAL 96 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3gn5 s VAL 96 CO 0.00 0.02 0.00 0.59 0.00 0.00 0.00 175.10 175.71 3gn5 n ASN 97 N 2.48 -4.77 0.13 3.32 3.02 -1.26 -4.91 115.26 113.26 3gn5 n ASN 97 Ca 0.09 0.07 -0.13 0.00 -0.03 0.00 0.00 54.58 54.58 3gn5 n ASN 97 Cb 0.38 -2.52 -0.06 0.00 -0.61 0.00 0.00 39.78 36.96 3gn5 n ASN 97 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gn5 h ALA 98 N 0.00 -0.39 -0.02 5.41 0.00 -1.60 -2.23 119.26 120.44 3gn5 h ALA 98 Ca -0.06 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3gn5 h ALA 98 Cb 0.66 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3gn5 h ALA 98 CO 0.09 -0.75 -0.53 0.74 0.00 0.00 0.00 179.25 178.79 3gn5 h PHE 99 N -0.42 0.08 -0.93 0.00 -1.00 -1.83 0.54 116.94 113.37 3gn5 h PHE 99 Ca 0.02 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 3gn5 h PHE 99 Cb 0.43 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.93 3gn5 h PHE 99 CO -0.18 0.58 0.54 0.66 -1.61 0.00 0.00 178.31 178.30 3gn5 h SER 100 N 0.05 1.14 -0.16 2.17 4.64 -1.82 -1.07 113.55 118.50 3gn5 h SER 100 Ca -0.00 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.13 3gn5 h SER 100 Cb 0.96 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3gn5 h SER 100 CO 0.07 0.89 -0.31 0.03 -0.87 0.00 0.00 176.83 176.64 3gn5 h ARG 101 N 1.29 0.49 -0.66 4.77 3.08 -0.83 -3.03 114.38 119.50 3gn5 h ARG 101 Ca 0.33 -0.32 0.02 0.00 0.07 0.00 0.00 59.98 60.09 3gn5 h ARG 101 Cb -0.02 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 3gn5 h ARG 101 CO -0.06 0.92 0.44 1.88 -1.07 0.00 0.00 179.97 182.08 3gn5 h TYR 102 N 0.13 0.78 0.00 3.04 0.05 -0.76 -0.61 116.97 119.59 3gn5 h TYR 102 Ca 0.01 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 3gn5 h TYR 102 Cb 0.91 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 38.38 3gn5 h TYR 102 CO 0.10 0.47 -0.29 0.93 -1.05 0.00 0.00 178.16 178.32 3gn5 h GLU 103 N 0.82 0.00 -0.00 4.88 5.08 -1.25 -2.81 114.58 121.31 3gn5 h GLU 103 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3gn5 h GLU 103 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3gn5 h GLU 103 CO -0.07 0.02 -0.08 1.63 -1.00 0.00 0.00 179.01 179.51 3gn5 n LYS 104 N -2.99 0.67 -1.34 2.33 5.02 -1.09 -4.80 118.16 115.96 3gn5 n LYS 104 Ca 0.03 -0.18 -0.03 0.00 -2.02 0.00 0.00 58.31 56.11 3gn5 n LYS 104 Cb 0.54 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.05 3gn5 n LYS 104 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gn5 n GLY 105 N 1.26 0.53 0.79 0.72 0.00 -1.06 -4.94 105.19 102.49 3gn5 n GLY 105 Ca 0.15 -0.89 0.12 0.00 0.00 0.00 0.00 46.02 45.40 3gn5 n GLY 105 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gn5 n ASN 106 N 1.47 2.57 -3.52 1.61 3.02 -0.26 -4.95 115.26 115.20 3gn5 n ASN 106 Ca -0.03 -1.81 -0.16 0.00 -0.03 0.00 0.00 54.58 52.55 3gn5 n ASN 106 Cb 0.21 0.09 -0.05 0.00 -0.61 0.00 0.00 39.78 39.42 3gn5 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gn5 s ALA 107 N -2.10 -1.78 -0.13 5.41 0.00 -1.21 -4.93 121.76 117.01 3gn5 s ALA 107 Ca 0.27 1.26 -0.20 0.00 0.00 0.00 0.00 51.96 53.30 3gn5 s ALA 107 Cb 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 3gn5 s ALA 107 CO 0.36 -0.42 0.58 -0.65 0.00 0.00 0.00 175.76 175.63 3gn5 s GLN 108 N -1.54 4.33 0.79 0.00 -1.52 -1.26 -4.42 119.66 116.04 3gn5 s GLN 108 Ca -0.07 0.61 -0.12 0.00 -1.95 0.00 0.00 55.36 53.83 3gn5 s GLN 108 Cb -0.00 -3.48 0.07 0.00 -0.22 0.00 0.00 33.01 29.38 3gn5 s GLN 108 CO 0.05 0.01 1.13 -2.14 -0.25 0.00 0.00 175.29 174.10 3gn5 s PRO 109 N 1.05 1.93 0.46 2.91 0.02 -1.26 -4.99 135.00 135.13 3gn5 s PRO 109 Ca 0.30 1.42 -0.25 0.00 0.02 0.00 0.00 61.00 62.49 3gn5 s PRO 109 Cb -0.16 -1.84 -0.08 0.00 0.02 0.00 0.00 34.50 32.44 3gn5 s PRO 109 CO 0.12 -1.93 1.38 1.58 -0.33 0.00 0.00 177.00 177.82 3gn5 n HIS 110 N -3.45 2.47 -0.39 6.54 -0.00 -1.26 -4.81 115.22 114.32 3gn5 n HIS 110 Ca 0.11 0.45 0.31 0.00 -0.00 0.00 0.00 57.72 58.59 3gn5 n HIS 110 Cb 0.52 -2.42 0.61 0.00 -0.00 0.00 0.00 29.99 28.70 3gn5 n HIS 110 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3gn5 h PRO 111 N 2.06 0.19 -0.02 1.57 0.11 -2.00 -0.39 132.00 133.53 3gn5 h PRO 111 Ca -0.50 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 3gn5 h PRO 111 Cb 1.28 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3gn5 h PRO 111 CO 0.60 0.13 -0.71 0.77 -0.21 0.00 0.00 178.00 178.58 3gn5 h SER 112 N 0.20 0.11 -0.30 -2.05 0.02 -1.99 -1.94 113.55 107.60 3gn5 h SER 112 Ca 0.69 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.52 3gn5 h SER 112 Cb 2.12 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 64.62 3gn5 h SER 112 CO -0.29 0.78 0.03 0.74 -1.14 0.00 0.00 176.83 176.96 3gn5 h THR 113 N 0.06 1.24 -0.23 -2.27 2.02 -1.39 -0.14 112.91 112.20 3gn5 h THR 113 Ca -0.01 -0.85 0.02 0.00 0.77 0.00 0.00 66.41 66.34 3gn5 h THR 113 Cb 1.25 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 3gn5 h THR 113 CO 0.10 0.28 0.10 0.40 0.37 0.00 0.00 175.52 176.76 3gn5 h ILE 114 N 0.33 0.97 -0.58 3.11 2.04 -1.37 0.18 117.51 122.18 3gn5 h ILE 114 Ca 0.09 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 3gn5 h ILE 114 Cb 0.37 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3gn5 h ILE 114 CO 0.01 0.04 0.07 0.11 0.00 0.00 0.00 178.15 178.38 3gn5 h LYS 115 N 0.22 0.98 -0.74 2.37 1.57 -1.33 -0.53 116.57 119.12 3gn5 h LYS 115 Ca 0.10 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3gn5 h LYS 115 Cb 0.05 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 3gn5 h LYS 115 CO -0.09 0.94 0.47 1.25 -0.57 0.00 0.00 179.45 181.46 3gn5 h LEU 116 N 0.88 0.78 -0.68 2.94 5.85 -0.86 -1.49 115.31 122.73 3gn5 h LEU 116 Ca 0.17 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.90 3gn5 h LEU 116 Cb 0.45 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3gn5 h LEU 116 CO 0.02 0.55 0.45 -0.07 -0.34 0.00 0.00 178.44 179.04 3gn5 h LEU 117 N 0.92 0.77 -0.89 2.25 3.38 -0.57 -0.21 115.31 120.97 3gn5 h LEU 117 Ca 0.29 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.25 3gn5 h LEU 117 Cb -0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3gn5 h LEU 117 CO -0.10 0.56 0.58 0.03 0.09 0.00 0.00 178.44 179.60 3gn5 h ARG 118 N 0.91 1.18 -0.25 1.13 3.08 -0.69 -0.48 114.38 119.26 3gn5 h ARG 118 Ca 0.25 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 60.07 3gn5 h ARG 118 Cb -0.09 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.70 3gn5 h ARG 118 CO -0.06 0.79 -0.48 0.28 -1.07 0.00 0.00 179.97 179.43 3gn5 h VAL 119 N 1.21 1.30 0.00 2.04 2.07 -0.97 -3.16 116.25 118.74 3gn5 h VAL 119 Ca 0.32 -1.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.09 3gn5 h VAL 119 Cb -0.13 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3gn5 h VAL 119 CO -0.07 0.54 -0.38 -0.07 0.02 0.00 0.00 177.57 177.61 3gn5 h LEU 120 N 0.49 0.00 -0.33 2.57 3.38 -0.92 0.34 115.31 120.84 3gn5 h LEU 120 Ca 0.01 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3gn5 h LEU 120 Cb 1.08 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 3gn5 h LEU 120 CO 0.11 0.38 0.08 -0.78 0.09 0.00 0.00 178.44 178.31 3gn5 h ASP 121 N 0.00 0.05 1.11 -0.43 3.58 -1.09 -1.92 116.42 117.73 3gn5 h ASP 121 Ca -0.00 0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.38 3gn5 h ASP 121 Cb 0.67 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.76 3gn5 h ASP 121 CO 0.05 0.06 -0.94 0.11 -2.88 0.00 0.00 179.24 175.65 3gn5 h LYS 122 N 0.21 0.00 -2.13 0.28 1.57 -1.46 -3.39 116.57 111.64 3gn5 h LYS 122 Ca 0.15 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.36 3gn5 h LYS 122 Cb 0.15 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.06 3gn5 h LYS 122 CO -0.19 0.33 -0.82 0.72 -0.57 0.00 0.00 179.45 178.92 3gn5 n HIS 123 N -3.01 2.16 0.23 -1.35 8.25 0.12 -4.94 115.22 116.67 3gn5 n HIS 123 Ca -0.03 -3.92 0.12 0.00 -0.26 0.00 0.00 57.72 53.63 3gn5 n HIS 123 Cb 0.75 -0.47 0.61 0.00 1.12 0.00 0.00 29.99 32.00 3gn5 n HIS 123 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3gn5 h PRO 124 N 3.79 0.00 0.00 -0.41 0.13 -1.57 -1.77 132.00 132.17 3gn5 h PRO 124 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3gn5 h PRO 124 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3gn5 h PRO 124 CO 0.69 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.51 3gn5 h GLU 125 N 0.00 0.00 0.00 0.86 9.09 -1.92 -2.98 114.58 119.63 3gn5 h GLU 125 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3gn5 h GLU 125 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 3gn5 h GLU 125 CO 0.00 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.34 3gn5 n LEU 126 N -2.94 0.00 -0.32 3.06 4.77 -0.67 -4.05 117.00 116.85 3gn5 n LEU 126 Ca 0.00 0.37 0.08 0.00 -0.03 0.00 0.00 56.01 56.44 3gn5 n LEU 126 Cb 0.27 -0.37 0.25 0.00 -2.33 0.00 0.00 43.42 41.23 3gn5 n LEU 126 CO 0.25 -0.07 1.16 0.25 -1.33 0.00 0.00 177.39 177.65 3gn5 h LEU 127 N 0.00 0.69 -2.00 2.23 5.85 -1.73 -0.41 115.31 119.94 3gn5 h LEU 127 Ca 0.00 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.86 3gn5 h LEU 127 Cb 0.30 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3gn5 h LEU 127 CO 0.00 0.31 0.15 -0.55 -0.34 0.00 0.00 178.44 178.01 3gn5 h ASN 128 N 0.75 0.00 1.11 1.25 7.08 -1.86 -2.06 115.58 121.85 3gn5 h ASN 128 Ca 0.50 0.00 -0.08 0.00 -3.08 0.00 0.00 56.30 53.63 3gn5 h ASN 128 Cb 0.66 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.89 3gn5 h ASN 128 CO -0.34 0.00 -0.39 -0.33 -2.08 0.00 0.00 177.43 174.29 3gn5 h GLU 129 N 0.00 0.00 -0.01 4.14 5.08 -1.36 -3.30 114.58 119.14 3gn5 h GLU 129 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3gn5 h GLU 129 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3gn5 h GLU 129 CO -0.00 0.39 -0.41 0.44 -1.00 0.00 0.00 179.01 178.42 3gn5 n ILE 130 N -3.38 0.00 1.00 3.13 -5.35 -0.86 -5.19 119.36 108.71 3gn5 n ILE 130 Ca 0.01 -0.29 0.12 0.00 -0.27 0.00 0.00 62.75 62.31 3gn5 n ILE 130 Cb 0.58 1.12 0.10 0.00 -1.74 0.00 0.00 39.64 39.70 3gn5 n ILE 130 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68