#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gn5 s LYS 2 N 0.00 3.94 0.06 3.17 -0.14 -1.26 -1.30 119.74 124.21 3gn5 s LYS 2 Ca 0.00 1.60 -0.31 0.00 -1.36 0.00 0.00 55.97 55.90 3gn5 s LYS 2 Cb 0.00 -2.42 -0.08 0.00 -1.68 0.00 0.00 37.83 33.65 3gn5 s LYS 2 CO 0.00 -0.35 1.66 0.00 -0.76 0.00 0.00 175.35 175.90 3gn5 n PRO 4 N 5.74 0.79 -0.07 0.00 -0.04 -1.26 -1.32 135.00 138.85 3gn5 n PRO 4 Ca 0.16 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.49 3gn5 n PRO 4 Cb 0.41 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.94 1.10 0.11 0.52 0.31 -1.26 -4.77 118.33 113.39 3gn5 n VAL 5 Ca 0.17 -0.06 0.11 0.00 -0.01 0.00 0.00 64.34 64.55 3gn5 n VAL 5 Cb 0.08 -1.85 -0.07 0.00 -0.91 0.00 0.00 33.84 31.09 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 -2.42 0.00 -3.12 0.00 -0.00 -0.43 -4.83 115.22 104.42 3gn5 n HIS 7 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.54 3gn5 n HIS 7 Cb 0.55 -1.50 -0.01 0.00 -0.00 0.00 0.00 29.99 29.03 3gn5 n HIS 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3gn5 n GLN 8 N -0.18 0.98 0.00 -0.41 10.64 -1.26 -4.85 117.38 122.30 3gn5 n GLN 8 Ca -0.01 -3.22 0.00 0.00 -1.83 0.00 0.00 57.00 51.94 3gn5 n GLN 8 Cb 0.37 -1.61 0.00 0.00 -0.86 0.00 0.00 30.24 28.14 3gn5 n GLN 8 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3gn5 n GLY 9 N 0.27 1.20 3.82 2.61 0.00 -1.26 -4.67 105.19 107.16 3gn5 n GLY 9 Ca 0.22 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3gn5 n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gn5 s GLU 10 N -1.51 4.05 -0.12 1.61 2.02 -1.26 -0.01 118.70 123.48 3gn5 s GLU 10 Ca 0.00 0.55 -0.26 0.00 0.02 0.00 0.00 54.97 55.29 3gn5 s GLU 10 Cb 0.00 -3.24 -0.02 0.00 0.10 0.00 0.00 34.13 30.97 3gn5 s GLU 10 CO 0.00 0.65 0.83 -1.64 0.02 0.00 0.00 175.26 175.12 3gn5 s MET 11 N -1.03 4.37 0.01 1.61 -1.94 -0.42 -1.40 119.30 120.50 3gn5 s MET 11 Ca 0.26 1.06 0.06 0.00 -1.71 0.00 0.00 55.69 55.37 3gn5 s MET 11 Cb -0.18 -3.53 -0.02 0.00 2.01 0.00 0.00 34.83 33.12 3gn5 s MET 11 CO 0.16 -0.20 -0.20 0.14 -0.01 0.00 0.00 175.02 174.91 3gn5 s VAL 12 N 1.67 1.56 0.19 -6.03 -7.23 -0.00 -4.42 120.40 106.14 3gn5 s VAL 12 Ca 0.41 -0.97 -0.30 0.00 -1.81 0.00 0.00 61.98 59.31 3gn5 s VAL 12 Cb -0.17 -1.32 -0.09 0.00 0.56 0.00 0.00 36.38 35.36 3gn5 s VAL 12 CO 0.16 0.33 1.32 -0.55 -0.31 0.00 0.00 175.10 176.06 3gn5 s SER 13 N -0.74 6.88 0.00 4.85 0.15 -1.26 -0.25 113.70 123.33 3gn5 s SER 13 Ca 0.07 2.41 0.00 0.00 0.70 0.00 0.00 55.95 59.13 3gn5 s SER 13 Cb -0.08 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 3gn5 s SER 13 CO 0.00 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.51 3gn5 n GLY 14 N 2.45 1.08 2.94 9.45 0.00 -0.37 -4.93 105.19 115.80 3gn5 n GLY 14 Ca 0.07 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.30 0.52 0.01 -0.61 1.01 -1.26 -1.59 121.20 116.98 3gn5 s ILE 15 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 3gn5 s ILE 15 Cb 0.00 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.97 3gn5 s ILE 15 CO 0.00 0.18 0.03 -0.54 0.00 0.00 0.00 174.94 174.61 3gn5 s LYS 16 N 0.34 0.33 -0.21 2.79 1.02 -0.43 -4.90 119.74 118.68 3gn5 s LYS 16 Ca -0.04 -0.48 -0.23 0.00 0.02 0.00 0.00 55.97 55.24 3gn5 s LYS 16 Cb -0.08 0.13 -0.02 0.00 -0.52 0.00 0.00 37.83 37.34 3gn5 s LYS 16 CO -0.00 -0.06 0.74 -0.51 -0.92 0.00 0.00 175.35 174.59 3gn5 s ASP 17 N -1.28 6.78 -0.25 2.83 1.01 -1.26 -0.90 116.67 123.61 3gn5 s ASP 17 Ca -0.14 0.96 -0.04 0.00 0.71 0.00 0.00 52.55 54.05 3gn5 s ASP 17 Cb -0.08 -2.40 0.01 0.00 1.01 0.00 0.00 42.92 41.45 3gn5 s ASP 17 CO -0.00 -0.38 -0.02 -0.63 0.21 0.00 0.00 175.17 174.35 3gn5 s ILE 18 N 2.29 3.36 0.45 0.77 1.01 0.13 -4.90 121.20 124.31 3gn5 s ILE 18 Ca 0.33 -0.70 -0.23 0.00 0.00 0.00 0.00 60.65 60.04 3gn5 s ILE 18 Cb -0.16 -2.63 -0.08 0.00 0.01 0.00 0.00 42.46 39.60 3gn5 s ILE 18 CO 0.10 0.27 1.18 -2.16 0.00 0.00 0.00 174.94 174.33 3gn5 s PRO 19 N 1.44 3.80 -0.11 2.79 0.04 -1.26 0.29 135.00 141.99 3gn5 s PRO 19 Ca 0.03 1.83 -0.06 0.00 0.04 0.00 0.00 61.00 62.84 3gn5 s PRO 19 Cb -0.16 -2.47 0.04 0.00 0.04 0.00 0.00 34.50 31.95 3gn5 s PRO 19 CO -0.02 -0.53 0.26 -0.47 0.04 0.00 0.00 177.00 176.27 3gn5 s TYR 20 N -1.49 -0.34 -0.07 0.56 5.04 0.01 -4.86 117.35 116.21 3gn5 s TYR 20 Ca 0.62 0.80 0.05 0.00 -2.44 0.00 0.00 57.07 56.10 3gn5 s TYR 20 Cb -0.30 0.07 -0.01 0.00 0.35 0.00 0.00 41.96 42.07 3gn5 s TYR 20 CO 0.37 -0.22 -0.24 0.99 -1.34 0.00 0.00 175.55 175.11 3gn5 s THR 21 N 0.99 2.14 -0.09 4.34 2.01 -1.26 -0.61 115.64 123.16 3gn5 s THR 21 Ca -0.07 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 60.86 3gn5 s THR 21 Cb -0.08 -1.78 0.05 0.00 0.01 0.00 0.00 72.50 70.69 3gn5 s THR 21 CO -0.07 0.57 0.17 0.12 -0.69 0.00 0.00 174.62 174.72 3gn5 s PHE 22 N -0.09 -0.21 -1.49 4.92 5.36 0.05 -4.85 117.98 121.67 3gn5 s PHE 22 Ca -0.06 0.64 -0.10 0.00 -0.96 0.00 0.00 56.93 56.45 3gn5 s PHE 22 Cb -0.14 -0.18 0.07 0.00 -0.34 0.00 0.00 43.02 42.43 3gn5 s PHE 22 CO 0.04 -0.26 0.84 0.54 -1.46 0.00 0.00 175.22 174.93 3gn5 n ARG 23 N 5.03 -4.89 -0.54 10.12 1.74 -1.26 -1.35 116.66 125.51 3gn5 n ARG 23 Ca -0.11 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 3gn5 n ARG 23 Cb 0.50 -5.28 0.00 0.00 -1.02 0.00 0.00 32.46 26.66 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 -1.66 1.04 3.75 -0.13 0.00 -1.26 -5.00 105.19 101.92 3gn5 n GLY 24 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.25 4.21 -0.04 1.61 1.81 -0.46 -5.08 118.95 120.75 3gn5 s ARG 25 Ca 0.00 0.30 -0.02 0.00 -1.72 0.00 0.00 55.73 54.29 3gn5 s ARG 25 Cb 0.00 -3.39 -0.04 0.00 -0.45 0.00 0.00 34.95 31.08 3gn5 s ARG 25 CO 0.00 0.30 0.07 0.15 -0.68 0.00 0.00 175.30 175.15 3gn5 s LYS 26 N 0.20 3.12 0.24 3.54 1.02 -1.26 -0.77 119.74 125.82 3gn5 s LYS 26 Ca 0.22 -0.40 -0.09 0.00 0.02 0.00 0.00 55.97 55.72 3gn5 s LYS 26 Cb -0.15 -2.90 -0.02 0.00 -0.52 0.00 0.00 37.83 34.25 3gn5 s LYS 26 CO 0.08 0.68 0.37 -0.08 -0.92 0.00 0.00 175.35 175.49 3gn5 s THR 27 N -1.10 0.00 -0.13 2.17 -1.32 0.22 -5.00 115.64 110.48 3gn5 s THR 27 Ca 0.19 -1.60 0.02 0.00 -1.21 0.00 0.00 61.69 59.09 3gn5 s THR 27 Cb -0.12 -2.32 0.01 0.00 -1.51 0.00 0.00 72.50 68.57 3gn5 s THR 27 CO 0.10 0.00 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.62 3gn5 s VAL 28 N -4.02 1.90 -0.34 5.08 1.01 -1.26 -0.81 120.40 121.96 3gn5 s VAL 28 Ca 0.28 -0.88 -0.24 0.00 0.00 0.00 0.00 61.98 61.14 3gn5 s VAL 28 Cb 0.02 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.71 3gn5 s VAL 28 CO 0.10 0.52 0.82 -0.76 0.00 0.00 0.00 175.10 175.79 3gn5 s LEU 29 N 0.91 4.08 0.04 3.92 1.43 0.15 -4.87 118.68 124.34 3gn5 s LEU 29 Ca -0.06 0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 53.44 3gn5 s LEU 29 Cb -0.15 -3.11 -0.06 0.00 0.03 0.00 0.00 46.19 42.90 3gn5 s LEU 29 CO -0.03 -0.71 0.46 -0.54 0.23 0.00 0.00 176.35 175.76 3gn5 s LYS 30 N 3.13 3.97 -1.21 1.70 -0.14 -1.26 -0.69 119.74 125.24 3gn5 s LYS 30 Ca 0.34 0.47 -0.01 0.00 -1.36 0.00 0.00 55.97 55.41 3gn5 s LYS 30 Cb -0.13 -3.17 0.00 0.00 -1.68 0.00 0.00 37.83 32.85 3gn5 s LYS 30 CO 0.15 0.64 1.00 0.41 -0.76 0.00 0.00 175.35 176.80 3gn5 n GLY 31 N 1.59 -0.37 3.59 -3.33 0.00 -1.23 -4.96 105.19 100.49 3gn5 n GLY 31 Ca -0.12 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.36 4.76 0.26 -0.61 -1.09 -0.07 -4.82 121.20 116.26 3gn5 s ILE 32 Ca 0.04 0.93 -0.30 0.00 -2.23 0.00 0.00 60.65 59.09 3gn5 s ILE 32 Cb -0.02 -4.19 -0.09 0.00 -1.58 0.00 0.00 42.46 36.59 3gn5 s ILE 32 CO 0.73 -0.39 1.11 -1.00 -1.23 0.00 0.00 174.94 174.17 3gn5 s HIS 33 N 3.04 3.56 -0.02 3.97 3.76 -1.26 -1.31 115.29 127.03 3gn5 s HIS 33 Ca 0.31 1.66 -0.21 0.00 -0.15 0.00 0.00 55.06 56.66 3gn5 s HIS 33 Cb -0.13 -3.30 0.07 0.00 1.11 0.00 0.00 32.58 30.32 3gn5 s HIS 33 CO 0.16 -0.64 0.96 0.41 -0.85 0.00 0.00 174.74 174.78 3gn5 n GLY 34 N 1.39 0.31 3.75 -2.22 0.00 -0.62 -4.87 105.19 102.93 3gn5 n GLY 34 Ca -0.00 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.65 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 4.31 -0.04 0.99 1.43 -0.43 -1.24 118.68 123.69 3gn5 s LEU 35 Ca 0.23 0.75 0.05 0.00 -1.03 0.00 0.00 54.13 54.12 3gn5 s LEU 35 Cb -0.01 -2.56 -0.00 0.00 0.03 0.00 0.00 46.19 43.65 3gn5 s LEU 35 CO -0.01 0.11 -0.18 -0.31 0.23 0.00 0.00 176.35 176.19 3gn5 s TYR 36 N 0.19 1.82 0.11 0.29 2.02 0.66 -1.22 117.35 121.22 3gn5 s TYR 36 Ca 0.22 -0.52 -0.31 0.00 -0.37 0.00 0.00 57.07 56.09 3gn5 s TYR 36 Cb -0.15 -1.22 -0.08 0.00 -0.40 0.00 0.00 41.96 40.11 3gn5 s TYR 36 CO 0.09 -0.17 1.47 0.00 -1.57 0.00 0.00 175.55 175.37 3gn5 h VAL 38 N 4.31 0.99 0.00 0.00 -1.51 -1.56 -2.56 116.25 115.93 3gn5 h VAL 38 Ca -0.42 -0.76 -0.14 0.00 -1.23 0.00 0.00 66.70 64.15 3gn5 h VAL 38 Cb 1.20 1.43 -0.02 0.00 -2.13 0.00 0.00 31.29 31.77 3gn5 h VAL 38 CO 0.89 0.21 -0.82 -0.74 -1.23 0.00 0.00 177.57 175.87 3gn5 h HIS 39 N 0.00 0.00 -0.00 5.19 -0.00 -1.83 -3.43 115.15 115.08 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 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.82 3gn5 h HIS 39 CO 0.00 1.08 -0.12 0.00 -0.00 0.00 0.00 177.93 178.89 3gn5 n GLU 41 N -0.48 -0.87 -1.64 0.00 1.02 -0.96 -4.99 120.64 112.71 3gn5 n GLU 41 Ca 0.02 0.38 -0.44 0.00 -0.02 0.00 0.00 57.16 57.10 3gn5 n GLU 41 Cb 0.10 -4.14 -0.02 0.00 -0.02 0.00 0.00 31.44 27.36 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 -1.52 1.75 -4.71 3.49 4.07 -1.26 -4.66 120.64 117.80 3gn5 n GLU 42 Ca -0.02 0.62 -0.33 0.00 -0.06 0.00 0.00 57.16 57.36 3gn5 n GLU 42 Cb 0.26 -2.14 -0.12 0.00 -0.06 0.00 0.00 31.44 29.38 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 -0.22 4.34 -0.17 4.31 1.04 -1.26 -1.22 113.70 120.51 3gn5 s SER 43 Ca 0.61 -0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.91 3gn5 s SER 43 Cb -0.66 -0.99 0.02 0.00 0.10 0.00 0.00 66.02 64.50 3gn5 s SER 43 CO 0.57 0.34 -0.17 -0.63 0.98 0.00 0.00 173.24 174.33 3gn5 s ILE 44 N -0.82 1.85 -0.14 -1.02 1.01 -0.36 -4.99 121.20 116.74 3gn5 s ILE 44 Ca 0.13 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.93 3gn5 s ILE 44 Cb -0.11 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.63 3gn5 s ILE 44 CO 0.02 0.45 -0.19 -0.04 0.00 0.00 0.00 174.94 175.18 3gn5 s MET 45 N 1.36 3.12 1.23 2.79 -1.94 -1.26 -1.32 119.30 123.28 3gn5 s MET 45 Ca 0.04 -0.81 -0.18 0.00 -1.71 0.00 0.00 55.69 53.03 3gn5 s MET 45 Cb -0.14 -2.50 0.30 0.00 2.01 0.00 0.00 34.83 34.51 3gn5 s MET 45 CO -0.11 0.05 1.03 0.54 -0.01 0.00 0.00 175.02 176.52 3gn5 s ASN 46 N 0.70 0.58 0.14 3.03 2.20 -1.26 -4.59 114.94 115.74 3gn5 s ASN 46 Ca -0.09 0.98 -0.22 0.00 -0.94 0.00 0.00 52.86 52.59 3gn5 s ASN 46 Cb -0.16 -1.46 -0.00 0.00 -2.00 0.00 0.00 41.25 37.63 3gn5 s ASN 46 CO 0.01 -4.37 1.66 0.50 -2.94 0.00 0.00 177.10 171.96 3gn5 h LYS 47 N -2.75 -0.19 -0.40 3.55 1.63 -2.00 0.12 116.57 116.54 3gn5 h LYS 47 Ca -0.50 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 3gn5 h LYS 47 Cb 1.33 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.98 3gn5 h LYS 47 CO 0.40 -0.12 0.26 0.93 -3.45 0.00 0.00 179.45 177.47 3gn5 h GLU 48 N -0.19 0.53 -0.71 1.90 3.07 -2.00 -1.58 114.58 115.60 3gn5 h GLU 48 Ca 0.11 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.88 3gn5 h GLU 48 Cb 0.35 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 3gn5 h GLU 48 CO -0.28 0.36 0.25 0.93 -1.40 0.00 0.00 179.01 178.87 3gn5 h GLU 49 N 0.54 1.08 -0.90 2.33 5.08 -1.82 -2.96 114.58 117.92 3gn5 h GLU 49 Ca 0.15 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3gn5 h GLU 49 Cb -0.05 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 3gn5 h GLU 49 CO -0.03 0.91 0.51 0.77 -1.00 0.00 0.00 179.01 180.18 3gn5 h SER 50 N 1.02 1.11 -0.56 1.42 0.02 -0.49 -1.60 113.55 114.47 3gn5 h SER 50 Ca 0.23 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3gn5 h SER 50 Cb 0.26 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 3gn5 h SER 50 CO -0.01 0.87 0.30 0.44 -1.14 0.00 0.00 176.83 177.29 3gn5 h ASP 51 N 1.25 0.71 -0.13 3.07 3.32 -1.17 0.18 116.42 123.65 3gn5 h ASP 51 Ca 0.32 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 3gn5 h ASP 51 Cb -0.01 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3gn5 h ASP 51 CO -0.06 0.61 0.08 0.00 -1.72 0.00 0.00 179.24 178.15 3gn5 h ALA 52 N 1.13 0.16 0.35 3.45 0.00 -1.45 -1.06 119.26 121.84 3gn5 h ALA 52 Ca 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3gn5 h ALA 52 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3gn5 h ALA 52 CO -0.03 -0.32 -0.17 0.35 0.00 0.00 0.00 179.25 179.08 3gn5 h PHE 53 N 0.14 -0.43 -0.18 0.00 3.57 -1.08 -2.84 116.94 116.12 3gn5 h PHE 53 Ca 0.05 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 3gn5 h PHE 53 Cb 0.03 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3gn5 h PHE 53 CO -0.05 -0.24 -0.05 0.52 -2.23 0.00 0.00 178.31 176.26 3gn5 h MET 54 N -0.51 0.26 -0.57 1.11 2.86 -0.67 -0.99 114.93 116.42 3gn5 h MET 54 Ca -0.05 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 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 0.08 0.33 0.28 0.00 1.06 0.00 0.00 176.91 178.66 3gn5 h ALA 55 N 1.70 1.42 -0.05 6.32 0.00 -1.10 0.23 119.26 127.78 3gn5 h ALA 55 Ca 0.06 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3gn5 h ALA 55 Cb 0.26 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3gn5 h ALA 55 CO 0.01 0.46 -0.34 1.96 0.00 0.00 0.00 179.25 181.34 3gn5 h GLN 56 N 0.80 0.32 -0.35 0.00 4.20 -1.06 -1.92 115.11 117.11 3gn5 h GLN 56 Ca 0.20 -0.28 0.07 0.00 0.06 0.00 0.00 58.65 58.71 3gn5 h GLN 56 Cb 0.08 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.85 3gn5 h GLN 56 CO -0.03 0.93 -0.11 0.28 -0.67 0.00 0.00 178.83 179.23 3gn5 h VAL 57 N -0.20 0.60 -0.21 -0.54 2.07 -1.07 -1.62 116.25 115.29 3gn5 h VAL 57 Ca -0.03 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 3gn5 h VAL 57 Cb 1.01 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3gn5 h VAL 57 CO 0.07 0.00 -0.38 0.11 0.02 0.00 0.00 177.57 177.39 3gn5 h LYS 58 N -0.03 0.47 -0.40 1.57 1.57 -0.61 -0.59 116.57 118.54 3gn5 h LYS 58 Ca 0.17 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 3gn5 h LYS 58 Cb 0.29 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3gn5 h LYS 58 CO -0.38 0.78 -0.19 0.00 -0.57 0.00 0.00 179.45 179.09 3gn5 h ALA 59 N 1.20 0.92 -0.19 3.86 0.00 -1.11 -1.21 119.26 122.73 3gn5 h ALA 59 Ca 0.04 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3gn5 h ALA 59 Cb 0.85 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3gn5 h ALA 59 CO 0.07 0.62 -0.09 0.35 0.00 0.00 0.00 179.25 180.20 3gn5 h PHE 60 N 0.68 0.45 -0.39 0.00 3.57 -1.04 -2.30 116.94 117.90 3gn5 h PHE 60 Ca 0.10 -0.11 0.06 0.00 3.53 0.00 0.00 57.97 61.55 3gn5 h PHE 60 Cb 0.68 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 3gn5 h PHE 60 CO 0.04 0.69 0.09 0.00 -2.23 0.00 0.00 178.31 176.89 3gn5 h ARG 61 N 0.08 0.21 -0.84 1.11 3.08 -1.02 -1.99 114.38 115.00 3gn5 h ARG 61 Ca 0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3gn5 h ARG 61 Cb 0.58 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 3gn5 h ARG 61 CO 0.03 0.14 0.54 0.00 -1.07 0.00 0.00 179.97 179.61 3gn5 h ALA 62 N 1.29 1.07 -0.21 0.04 0.00 -1.22 -0.11 119.26 120.13 3gn5 h ALA 62 Ca 0.19 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 3gn5 h ALA 62 Cb 0.22 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3gn5 h ALA 62 CO -0.24 0.49 -0.58 0.66 0.00 0.00 0.00 179.25 179.59 3gn5 h SER 63 N 1.15 0.75 0.09 0.00 4.64 -1.22 -1.69 113.55 117.27 3gn5 h SER 63 Ca 0.31 -0.41 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3gn5 h SER 63 Cb -0.11 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.77 3gn5 h SER 63 CO -0.06 1.16 -0.04 0.58 -0.87 0.00 0.00 176.83 177.59 3gn5 h VAL 64 N 0.50 0.96 -0.84 0.95 2.07 -1.10 -3.08 116.25 115.71 3gn5 h VAL 64 Ca 0.00 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.41 3gn5 h VAL 64 Cb 1.15 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 3gn5 h VAL 64 CO 0.12 0.04 0.55 0.78 0.02 0.00 0.00 177.57 179.07 3gn5 h ASN 65 N -0.19 0.85 0.81 0.57 2.35 -1.00 -2.46 115.58 116.50 3gn5 h ASN 65 Ca -0.01 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3gn5 h ASN 65 Cb 0.16 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3gn5 h ASN 65 CO 0.02 0.56 0.00 0.00 -1.65 0.00 0.00 177.43 176.36 3gn5 n ALA 66 N -2.41 1.82 0.27 -0.83 0.00 -0.64 -2.27 120.51 116.45 3gn5 n ALA 66 Ca 0.12 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.70 3gn5 n ALA 66 Cb 0.17 -1.37 0.79 0.00 0.00 0.00 0.00 19.45 19.04 3gn5 n ALA 66 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3gn5 h GLU 67 N 0.00 0.00 -6.86 0.00 5.08 -1.36 -3.43 114.58 108.02 3gn5 h GLU 67 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 3gn5 h GLU 67 Cb 0.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 3gn5 h GLU 67 CO 0.00 0.06 0.42 0.99 -1.00 0.00 0.00 179.01 179.48 3gn5 s THR 68 N -4.51 3.74 -0.08 1.13 2.01 -0.96 -5.04 115.64 111.93 3gn5 s THR 68 Ca -0.04 1.58 -0.04 0.00 0.31 0.00 0.00 61.69 63.50 3gn5 s THR 68 Cb 0.15 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3gn5 s THR 68 CO 0.59 0.25 0.10 0.54 -0.69 0.00 0.00 174.62 175.40 3gn5 s VAL 69 N -1.38 5.05 0.15 3.82 0.11 -1.26 -5.07 120.40 121.82 3gn5 s VAL 69 Ca 0.49 -0.06 -0.32 0.00 -2.93 0.00 0.00 61.98 59.16 3gn5 s VAL 69 Cb -0.26 -3.22 -0.12 0.00 -1.53 0.00 0.00 36.38 31.25 3gn5 s VAL 69 CO 0.33 0.54 1.76 0.00 -3.33 0.00 0.00 175.10 174.40 3gn5 n ALA 70 N 1.77 2.23 -0.23 1.54 0.00 -1.26 -4.89 120.51 119.67 3gn5 n ALA 70 Ca -0.17 0.37 0.18 0.00 0.00 0.00 0.00 53.44 53.81 3gn5 n ALA 70 Cb 0.54 -2.52 0.51 0.00 0.00 0.00 0.00 19.45 17.97 3gn5 n ALA 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3gn5 h PRO 71 N 7.51 0.40 -0.73 0.00 0.11 -1.91 0.56 132.00 137.94 3gn5 h PRO 71 Ca -0.45 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.74 3gn5 h PRO 71 Cb 1.22 -0.09 -0.08 0.00 0.11 0.00 0.00 31.00 32.16 3gn5 h PRO 71 CO 0.94 0.27 0.34 0.93 -0.21 0.00 0.00 178.00 180.27 3gn5 h GLU 72 N 0.41 0.55 -0.40 1.05 3.07 -1.90 -1.82 114.58 115.54 3gn5 h GLU 72 Ca 0.45 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.24 3gn5 h GLU 72 Cb 1.09 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.85 3gn5 h GLU 72 CO -0.16 0.36 0.12 0.35 -1.40 0.00 0.00 179.01 178.28 3gn5 h PHE 73 N 0.56 0.58 -0.30 4.33 3.57 -1.26 -1.58 116.94 122.85 3gn5 h PHE 73 Ca 0.37 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.72 3gn5 h PHE 73 Cb 0.44 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3gn5 h PHE 73 CO -0.12 0.49 -0.31 0.82 -2.23 0.00 0.00 178.31 176.96 3gn5 h ILE 74 N 0.57 1.28 -0.12 1.41 2.04 -1.05 -1.71 117.51 119.93 3gn5 h ILE 74 Ca 0.14 -1.43 -0.06 0.00 1.00 0.00 0.00 64.86 64.51 3gn5 h ILE 74 Cb 0.18 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3gn5 h ILE 74 CO -0.01 0.46 -0.17 0.58 0.00 0.00 0.00 178.15 179.01 3gn5 h VAL 75 N 0.54 1.37 -0.29 1.67 2.07 -1.18 -1.93 116.25 118.50 3gn5 h VAL 75 Ca 0.06 -1.39 0.06 0.00 0.82 0.00 0.00 66.70 66.26 3gn5 h VAL 75 Cb 0.80 1.98 -0.08 0.00 -1.52 0.00 0.00 31.29 32.47 3gn5 h VAL 75 CO 0.07 0.40 -0.34 0.50 0.02 0.00 0.00 177.57 178.22 3gn5 h LYS 76 N -0.07 -0.32 -0.54 1.57 3.64 -1.17 0.47 116.57 120.15 3gn5 h LYS 76 Ca 0.01 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3gn5 h LYS 76 Cb 0.73 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 3gn5 h LYS 76 CO 0.04 -0.21 0.14 0.28 -2.27 0.00 0.00 179.45 177.43 3gn5 h VAL 77 N -0.33 1.24 0.11 2.00 2.07 -1.34 -1.51 116.25 118.48 3gn5 h VAL 77 Ca 0.13 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 3gn5 h VAL 77 Cb 0.55 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3gn5 h VAL 77 CO -0.47 0.31 -0.05 -0.09 0.02 0.00 0.00 177.57 177.29 3gn5 h ARG 78 N 0.76 -0.14 -0.49 1.57 2.43 -0.91 -1.09 114.38 116.52 3gn5 h ARG 78 Ca 0.17 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.42 3gn5 h ARG 78 Cb 0.32 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.85 3gn5 h ARG 78 CO -0.00 0.02 0.18 0.87 -1.51 0.00 0.00 179.97 179.52 3gn5 h LYS 79 N -0.27 0.34 -0.95 0.20 1.57 -0.93 -1.98 116.57 114.56 3gn5 h LYS 79 Ca -0.01 -0.02 0.19 0.00 -1.87 0.00 0.00 60.65 58.93 3gn5 h LYS 79 Cb 0.22 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.37 3gn5 h LYS 79 CO 0.02 0.23 0.60 -0.22 -0.57 0.00 0.00 179.45 179.51 3gn5 h LYS 80 N 0.35 0.59 -0.12 3.15 3.64 -0.94 -0.16 116.57 123.08 3gn5 h LYS 80 Ca 0.24 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3gn5 h LYS 80 Cb 0.25 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3gn5 h LYS 80 CO -0.24 0.39 0.00 1.28 -2.27 0.00 0.00 179.45 178.61 3gn5 n LEU 81 N -4.61 1.41 -3.64 5.20 4.77 -0.44 -4.94 117.00 114.75 3gn5 n LEU 81 Ca 0.20 -0.57 -0.26 0.00 -0.03 0.00 0.00 56.01 55.35 3gn5 n LEU 81 Cb 0.60 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.66 3gn5 n LEU 81 CO 0.27 0.29 0.15 -1.20 -1.33 0.00 0.00 177.39 175.56 3gn5 n SER 82 N 0.14 -5.59 -4.64 -1.43 7.64 -0.07 -5.00 113.62 104.67 3gn5 n SER 82 Ca 0.16 -0.60 -0.31 0.00 1.01 0.00 0.00 58.87 59.14 3gn5 n SER 82 Cb 0.30 -4.44 -0.09 0.00 -1.01 0.00 0.00 64.21 58.96 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 -7.18 3.31 0.71 -3.43 1.43 -1.05 -5.06 118.68 107.42 3gn5 s LEU 83 Ca 0.58 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.46 3gn5 s LEU 83 Cb -0.27 -2.01 0.11 0.00 0.03 0.00 0.00 46.19 44.05 3gn5 s LEU 83 CO 0.71 0.21 0.99 0.42 0.23 0.00 0.00 176.35 178.92 3gn5 s THR 84 N -1.19 2.22 0.17 5.49 -4.23 -1.26 -4.57 115.64 112.27 3gn5 s THR 84 Ca 0.22 -0.52 0.01 0.00 -1.18 0.00 0.00 61.69 60.22 3gn5 s THR 84 Cb -0.11 -2.70 -0.13 0.00 1.34 0.00 0.00 72.50 70.90 3gn5 s THR 84 CO 0.14 0.00 1.41 1.56 -0.54 0.00 0.00 174.62 177.19 3gn5 h GLN 85 N -0.54 0.28 -0.72 3.99 4.20 -1.99 -1.81 115.11 118.53 3gn5 h GLN 85 Ca -0.39 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.05 3gn5 h GLN 85 Cb 1.27 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 29.09 3gn5 h GLN 85 CO 0.44 0.95 0.41 -0.22 -0.67 0.00 0.00 178.83 179.74 3gn5 h LYS 86 N 0.17 1.00 0.02 1.46 1.63 -1.96 -0.33 116.57 118.56 3gn5 h LYS 86 Ca -0.04 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 59.65 3gn5 h LYS 86 Cb 1.40 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 3gn5 h LYS 86 CO 0.13 0.73 -0.01 0.93 -3.45 0.00 0.00 179.45 177.78 3gn5 h GLU 87 N 0.99 -0.03 -0.41 1.90 5.08 -1.93 -2.33 114.58 117.85 3gn5 h GLU 87 Ca 0.26 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.70 3gn5 h GLU 87 Cb 0.01 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.19 3gn5 h GLU 87 CO -0.04 0.50 -0.08 0.00 -1.00 0.00 0.00 179.01 178.39 3gn5 h ALA 88 N 0.38 0.30 -0.74 3.43 0.00 -1.32 0.26 119.26 121.57 3gn5 h ALA 88 Ca -0.00 0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.18 3gn5 h ALA 88 Cb 0.54 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 3gn5 h ALA 88 CO 0.01 -0.44 0.33 0.77 0.00 0.00 0.00 179.25 179.92 3gn5 h SER 89 N 0.02 0.38 -0.07 0.00 0.02 -1.06 0.71 113.55 113.56 3gn5 h SER 89 Ca 0.20 0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 61.09 3gn5 h SER 89 Cb 0.30 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3gn5 h SER 89 CO -0.41 0.19 -0.42 -0.33 -1.14 0.00 0.00 176.83 174.72 3gn5 h GLU 90 N 0.53 0.60 0.02 3.45 5.08 -0.76 -0.73 114.58 122.76 3gn5 h GLU 90 Ca 0.38 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3gn5 h GLU 90 Cb 0.50 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3gn5 h GLU 90 CO -0.34 0.92 -0.01 0.82 -1.00 0.00 0.00 179.01 179.40 3gn5 h ILE 91 N 0.49 1.47 0.00 3.13 2.04 0.54 -3.39 117.51 121.80 3gn5 h ILE 91 Ca 0.04 -1.93 -0.23 0.00 1.00 0.00 0.00 64.86 63.74 3gn5 h ILE 91 Cb 0.94 2.70 -0.04 0.00 -0.74 0.00 0.00 36.82 39.68 3gn5 h ILE 91 CO 0.08 0.47 -1.55 0.49 0.00 0.00 0.00 178.15 177.64 3gn5 n PHE 92 N -4.69 1.00 -0.05 1.37 3.72 0.24 -5.04 117.46 114.00 3gn5 n PHE 92 Ca -0.09 0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 3gn5 n PHE 92 Cb 0.38 -1.14 0.00 0.00 -0.94 0.00 0.00 39.48 37.78 3gn5 n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gn5 n GLY 93 N 1.47 -2.84 0.00 1.37 0.00 -0.28 -4.89 105.19 100.02 3gn5 n GLY 93 Ca -0.13 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.01 2.36 0.00 -0.02 0.00 -1.26 -4.73 105.19 101.52 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 -0.15 2.63 0.29 -0.02 0.00 -1.26 -4.69 105.19 101.98 3gn5 n GLY 95 Ca 0.00 -2.08 -0.01 0.00 0.00 0.00 0.00 46.02 43.93 3gn5 n GLY 95 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3gn5 h VAL 96 N 0.21 0.26 -0.57 1.61 -1.51 -1.95 -1.48 116.25 112.82 3gn5 h VAL 96 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3gn5 h VAL 96 Cb 0.00 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 29.42 3gn5 h VAL 96 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.93 3gn5 n ASN 97 N -5.46 4.01 -0.04 4.19 3.02 -1.26 -4.75 115.26 114.97 3gn5 n ASN 97 Ca 0.08 -2.31 -0.02 0.00 -0.03 0.00 0.00 54.58 52.30 3gn5 n ASN 97 Cb 0.36 -0.51 -0.01 0.00 -0.61 0.00 0.00 39.78 39.00 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 3.98 -0.22 0.00 5.41 0.00 -1.54 -2.96 119.26 123.93 3gn5 h ALA 98 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3gn5 h ALA 98 Cb 1.20 0.92 -0.00 0.00 0.00 0.00 0.00 17.79 19.90 3gn5 h ALA 98 CO 0.16 -0.26 -0.11 0.74 0.00 0.00 0.00 179.25 179.78 3gn5 h PHE 99 N -0.03 0.00 -0.58 0.00 -1.00 -1.84 -2.16 116.94 111.33 3gn5 h PHE 99 Ca 0.02 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.69 3gn5 h PHE 99 Cb 0.07 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.61 3gn5 h PHE 99 CO -0.79 0.11 -0.05 0.66 -1.61 0.00 0.00 178.31 176.64 3gn5 h SER 100 N 0.00 1.04 0.32 2.17 4.64 -1.83 -3.00 113.55 116.89 3gn5 h SER 100 Ca -0.00 -0.32 -0.25 0.00 -0.47 0.00 0.00 61.79 60.76 3gn5 h SER 100 Cb 0.51 -0.28 0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3gn5 h SER 100 CO 0.01 1.12 -1.03 0.03 -0.87 0.00 0.00 176.83 176.09 3gn5 h ARG 101 N 0.95 0.45 -0.66 4.77 3.08 -1.28 -3.03 114.38 118.66 3gn5 h ARG 101 Ca 0.16 -0.52 0.05 0.00 0.07 0.00 0.00 59.98 59.73 3gn5 h ARG 101 Cb 0.61 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 3gn5 h ARG 101 CO 0.04 1.18 0.39 1.88 -1.07 0.00 0.00 179.97 182.38 3gn5 h TYR 102 N 0.23 0.72 0.00 3.04 0.05 -1.46 0.27 116.97 119.81 3gn5 h TYR 102 Ca -0.10 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.70 3gn5 h TYR 102 Cb 1.68 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 39.20 3gn5 h TYR 102 CO 0.07 0.37 -0.24 0.93 -1.05 0.00 0.00 178.16 178.24 3gn5 h GLU 103 N 0.73 0.00 0.00 4.88 5.08 -1.57 -1.85 114.58 121.86 3gn5 h GLU 103 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3gn5 h GLU 103 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3gn5 h GLU 103 CO -0.15 0.00 -0.26 1.63 -1.00 0.00 0.00 179.01 179.23 3gn5 n LYS 104 N -2.49 0.08 -0.93 2.33 5.02 -1.15 -4.78 118.16 116.23 3gn5 n LYS 104 Ca 0.04 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3gn5 n LYS 104 Cb 0.47 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 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 1.45 0.50 0.12 0.72 0.00 -0.69 -4.94 105.19 102.36 3gn5 n GLY 105 Ca 0.06 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 0.47 0.55 0.00 1.61 3.02 0.87 -4.98 115.26 116.80 3gn5 n ASN 106 Ca 0.00 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 54.02 3gn5 n ASN 106 Cb 0.00 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 3gn5 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gn5 n ALA 107 N -0.98 0.00 -2.55 5.41 0.00 -1.03 -4.92 120.51 116.44 3gn5 n ALA 107 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.33 3gn5 n ALA 107 Cb 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.66 3gn5 n ALA 107 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3gn5 s PRO 109 N 4.18 1.98 0.55 0.00 0.02 -1.26 -4.19 135.00 136.29 3gn5 s PRO 109 Ca 0.00 -1.55 -0.21 0.00 0.02 0.00 0.00 61.00 59.26 3gn5 s PRO 109 Cb 0.00 -1.98 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 3gn5 s PRO 109 CO 0.00 0.36 1.18 1.58 -0.33 0.00 0.00 177.00 179.79 3gn5 n HIS 110 N -0.63 1.64 -0.30 6.54 -0.00 -1.26 -4.79 115.22 116.43 3gn5 n HIS 110 Ca -0.07 0.45 0.15 0.00 -0.00 0.00 0.00 57.72 58.25 3gn5 n HIS 110 Cb 0.59 -2.27 0.40 0.00 -0.00 0.00 0.00 29.99 28.71 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 1.08 0.62 -0.29 1.57 0.11 -2.00 -1.26 132.00 131.83 3gn5 h PRO 111 Ca -0.49 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.49 3gn5 h PRO 111 Cb 1.33 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3gn5 h PRO 111 CO 0.55 0.41 -0.22 0.77 -0.21 0.00 0.00 178.00 179.30 3gn5 h SER 112 N 0.63 0.55 -0.37 -2.05 0.02 -1.99 -1.93 113.55 108.41 3gn5 h SER 112 Ca 0.51 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 61.21 3gn5 h SER 112 Cb 0.94 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 3gn5 h SER 112 CO -0.26 0.77 -0.01 0.74 -1.14 0.00 0.00 176.83 176.93 3gn5 h THR 113 N 0.49 1.26 -0.03 -2.27 2.02 -1.60 0.21 112.91 112.99 3gn5 h THR 113 Ca 0.08 -1.01 0.03 0.00 0.77 0.00 0.00 66.41 66.28 3gn5 h THR 113 Cb 0.65 1.19 -0.05 0.00 -1.74 0.00 0.00 68.15 68.20 3gn5 h THR 113 CO 0.05 0.34 -0.24 0.40 0.37 0.00 0.00 175.52 176.43 3gn5 h ILE 114 N 0.47 0.44 -0.66 3.11 2.04 -1.26 0.18 117.51 121.83 3gn5 h ILE 114 Ca 0.10 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.03 3gn5 h ILE 114 Cb 0.48 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 3gn5 h ILE 114 CO 0.02 0.00 0.34 0.11 0.00 0.00 0.00 178.15 178.62 3gn5 h LYS 115 N -0.36 0.60 -0.69 2.37 1.57 -1.30 0.19 116.57 118.94 3gn5 h LYS 115 Ca 0.07 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3gn5 h LYS 115 Cb 0.46 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 3gn5 h LYS 115 CO -0.24 0.40 0.16 1.25 -0.57 0.00 0.00 179.45 180.45 3gn5 h LEU 116 N 0.62 1.06 -0.69 2.94 5.85 -0.56 -0.64 115.31 123.89 3gn5 h LEU 116 Ca 0.31 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 3gn5 h LEU 116 Cb 0.25 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3gn5 h LEU 116 CO -0.21 1.02 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.49 3gn5 h LEU 117 N 1.05 0.65 -0.42 2.25 3.38 -0.08 -0.34 115.31 121.80 3gn5 h LEU 117 Ca 0.22 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3gn5 h LEU 117 Cb 0.39 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3gn5 h LEU 117 CO 0.00 0.94 -0.01 0.03 0.09 0.00 0.00 178.44 179.50 3gn5 h ARG 118 N 0.52 0.74 -0.46 1.13 3.08 -0.48 -0.67 114.38 118.24 3gn5 h ARG 118 Ca 0.05 -0.24 0.03 0.00 0.07 0.00 0.00 59.98 59.89 3gn5 h ARG 118 Cb 0.85 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 3gn5 h ARG 118 CO 0.07 0.82 0.26 0.28 -1.07 0.00 0.00 179.97 180.33 3gn5 h VAL 119 N 0.57 1.02 0.00 2.04 2.07 -1.04 -2.98 116.25 117.94 3gn5 h VAL 119 Ca 0.12 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.35 3gn5 h VAL 119 Cb 0.49 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3gn5 h VAL 119 CO 0.02 0.09 -0.52 -0.07 0.02 0.00 0.00 177.57 177.12 3gn5 h LEU 120 N 0.52 0.00 -0.91 2.57 3.38 -0.92 -0.62 115.31 119.32 3gn5 h LEU 120 Ca 0.19 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.22 3gn5 h LEU 120 Cb 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 3gn5 h LEU 120 CO -0.10 0.52 0.58 -0.78 0.09 0.00 0.00 178.44 178.75 3gn5 h ASP 121 N 0.00 0.92 0.75 -0.43 3.58 -0.97 -0.06 116.42 120.21 3gn5 h ASP 121 Ca -0.01 0.01 -0.25 0.00 0.42 0.00 0.00 57.03 57.20 3gn5 h ASP 121 Cb 0.92 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 3gn5 h ASP 121 CO 0.07 0.59 -1.23 0.11 -2.88 0.00 0.00 179.24 175.90 3gn5 h LYS 122 N 1.06 0.11 -2.10 0.28 6.56 -1.34 -3.40 116.57 117.74 3gn5 h LYS 122 Ca 0.39 -0.20 -0.57 0.00 -1.06 0.00 0.00 60.65 59.21 3gn5 h LYS 122 Cb 0.15 0.07 -0.40 0.00 -0.57 0.00 0.00 32.23 31.49 3gn5 h LYS 122 CO -0.17 1.02 -0.96 0.72 -2.06 0.00 0.00 179.45 178.00 3gn5 n HIS 123 N -3.38 0.61 0.32 -1.35 8.25 -0.29 -4.98 115.22 114.40 3gn5 n HIS 123 Ca -0.07 -3.70 0.20 0.00 -0.26 0.00 0.00 57.72 53.89 3gn5 n HIS 123 Cb 0.99 -0.35 1.06 0.00 1.12 0.00 0.00 29.99 32.81 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 4.21 0.00 0.00 -0.41 0.13 -1.24 -2.57 132.00 132.13 3gn5 h PRO 124 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 3gn5 h PRO 124 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 3gn5 h PRO 124 CO 0.55 0.01 -0.05 1.05 -0.23 0.00 0.00 178.00 179.33 3gn5 h GLU 125 N 0.00 0.00 0.00 0.86 9.09 -1.94 -3.09 114.58 119.50 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 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 3gn5 h GLU 125 CO 0.00 0.05 0.00 -0.07 0.05 0.00 0.00 179.01 179.04 3gn5 h LEU 126 N 0.00 0.00 -0.88 3.06 3.38 -1.83 -2.93 115.31 116.11 3gn5 h LEU 126 Ca -0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 3gn5 h LEU 126 Cb 0.38 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.02 3gn5 h LEU 126 CO 0.01 0.00 0.44 0.25 0.09 0.00 0.00 178.44 179.23 3gn5 h LEU 127 N 0.00 0.49 -2.62 1.67 5.85 -1.77 0.70 115.31 119.63 3gn5 h LEU 127 Ca 0.00 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3gn5 h LEU 127 Cb 0.33 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 3gn5 h LEU 127 CO 0.00 0.15 0.03 0.78 -0.34 0.00 0.00 178.44 179.06 3gn5 h ASN 128 N 0.56 0.00 -0.22 1.25 2.35 -1.79 0.28 115.58 118.02 3gn5 h ASN 128 Ca 0.51 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.10 3gn5 h ASN 128 Cb 0.83 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 3gn5 h ASN 128 CO -0.42 0.00 -0.45 -0.33 -1.65 0.00 0.00 177.43 174.57 3gn5 h GLU 129 N 0.00 0.78 -0.13 0.81 5.08 -1.06 -3.35 114.58 116.70 3gn5 h GLU 129 Ca 0.01 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3gn5 h GLU 129 Cb 0.07 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3gn5 h GLU 129 CO -0.00 1.07 0.00 0.44 -1.00 0.00 0.00 179.01 179.52 3gn5 n ILE 130 N -4.02 0.53 1.19 3.13 -6.64 -0.02 -5.19 119.36 108.34 3gn5 n ILE 130 Ca -0.03 -0.77 0.10 0.00 -1.77 0.00 0.00 62.75 60.28 3gn5 n ILE 130 Cb 0.57 0.81 0.56 0.00 -1.44 0.00 0.00 39.64 40.14 3gn5 n ILE 130 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64