#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gb3 n GLY 3 N 0.00 -2.66 0.00 0.62 0.00 -1.26 -5.03 105.19 96.86 3gb3 n GLY 3 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 3gb3 n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gb3 n GLY 4 N -2.16 2.34 0.37 -0.02 0.00 -1.26 -4.81 105.19 99.65 3gb3 n GLY 4 Ca -0.01 -0.53 0.15 0.00 0.00 0.00 0.00 46.02 45.63 3gb3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gb3 h PRO 5 N 0.00 0.00 -0.33 1.61 0.13 -1.88 0.83 132.00 132.35 3gb3 h PRO 5 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 3gb3 h PRO 5 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 3gb3 h PRO 5 CO 0.00 0.00 -0.17 0.00 -0.23 0.00 0.00 178.00 177.60 3gb3 h ALA 6 N 1.03 1.09 -0.11 -0.56 0.00 -1.93 -2.80 119.26 115.97 3gb3 h ALA 6 Ca 0.11 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3gb3 h ALA 6 Cb 1.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3gb3 h ALA 6 CO -0.00 0.56 -0.24 -0.07 0.00 0.00 0.00 179.25 179.50 3gb3 h LEU 7 N 0.54 0.19 -0.20 0.00 3.38 -1.23 -2.99 115.31 115.00 3gb3 h LEU 7 Ca 0.09 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3gb3 h LEU 7 Cb 0.60 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3gb3 h LEU 7 CO 0.04 0.43 -0.01 0.49 0.09 0.00 0.00 178.44 179.49 3gb3 n PHE 8 N -4.19 0.00 0.37 1.13 3.72 -1.06 -3.13 117.46 114.30 3gb3 n PHE 8 Ca -0.01 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.47 3gb3 n PHE 8 Cb 0.34 -0.03 0.35 0.00 -0.94 0.00 0.00 39.48 39.19 3gb3 n PHE 8 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3gb3 n GLN 9 N -0.80 0.07 -2.33 -1.08 6.02 -1.13 -4.65 117.38 113.49 3gb3 n GLN 9 Ca 0.22 0.37 -0.28 0.00 -0.01 0.00 0.00 57.00 57.30 3gb3 n GLN 9 Cb 0.18 -1.65 0.01 0.00 1.02 0.00 0.00 30.24 29.80 3gb3 n GLN 9 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3gb3 s SER 10 N -3.47 6.01 0.41 1.08 1.04 -1.18 -4.71 113.70 112.88 3gb3 s SER 10 Ca 0.04 1.01 -0.24 0.00 0.48 0.00 0.00 55.95 57.25 3gb3 s SER 10 Cb 0.08 -2.14 -0.09 0.00 0.10 0.00 0.00 66.02 63.97 3gb3 s SER 10 CO 0.26 -0.84 1.07 -1.81 0.98 0.00 0.00 173.24 172.90 3gb3 s ASP 11 N -4.20 6.65 0.11 7.02 1.01 -1.26 -3.92 116.67 122.08 3gb3 s ASP 11 Ca 0.52 2.08 -0.01 0.00 0.71 0.00 0.00 52.55 55.85 3gb3 s ASP 11 Cb -0.11 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 3gb3 s ASP 11 CO 0.48 -0.57 0.04 -0.04 0.21 0.00 0.00 175.17 175.29 3gb3 s MET 12 N -2.55 0.85 0.38 8.23 -1.94 0.20 -4.96 119.30 119.51 3gb3 s MET 12 Ca 0.59 -1.38 0.05 0.00 -1.71 0.00 0.00 55.69 53.24 3gb3 s MET 12 Cb -0.23 0.24 -0.07 0.00 2.01 0.00 0.00 34.83 36.78 3gb3 s MET 12 CO 0.28 -0.23 0.03 0.95 -0.01 0.00 0.00 175.02 176.05 3gb3 s THR 13 N -4.01 1.56 0.06 2.05 -4.23 -0.02 -1.08 115.64 109.97 3gb3 s THR 13 Ca 0.20 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.53 3gb3 s THR 13 Cb 0.08 -2.83 0.04 0.00 1.34 0.00 0.00 72.50 71.12 3gb3 s THR 13 CO -0.01 0.00 0.42 0.72 -0.54 0.00 0.00 174.62 175.21 3gb3 s PHE 14 N -2.97 -0.27 -0.04 3.99 -0.71 -0.26 -1.62 117.98 116.11 3gb3 s PHE 14 Ca 0.33 0.19 -0.02 0.00 -1.04 0.00 0.00 56.93 56.38 3gb3 s PHE 14 Cb 0.09 0.24 0.02 0.00 -1.21 0.00 0.00 43.02 42.16 3gb3 s PHE 14 CO 0.16 -0.60 0.09 0.21 -1.34 0.00 0.00 175.22 173.74 3gb3 s LYS 15 N -2.72 0.08 -0.04 1.99 2.47 -0.66 -1.37 119.74 119.49 3gb3 s LYS 15 Ca -0.04 0.20 0.02 0.00 -1.56 0.00 0.00 55.97 54.59 3gb3 s LYS 15 Cb -0.00 -0.07 0.01 0.00 -1.46 0.00 0.00 37.83 36.32 3gb3 s LYS 15 CO -0.04 -0.08 -0.07 0.42 0.16 0.00 0.00 175.35 175.74 3gb3 s ILE 16 N 0.54 0.68 -0.21 5.43 1.01 0.48 -0.35 121.20 128.78 3gb3 s ILE 16 Ca -0.04 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.38 3gb3 s ILE 16 Cb -0.06 -0.65 0.03 0.00 0.01 0.00 0.00 42.46 41.79 3gb3 s ILE 16 CO -0.02 0.24 -0.17 -0.36 0.00 0.00 0.00 174.94 174.63 3gb3 s PHE 17 N 0.61 2.91 -0.18 3.97 0.40 -0.53 -0.98 117.98 124.20 3gb3 s PHE 17 Ca -0.09 -1.86 -0.01 0.00 -0.60 0.00 0.00 56.93 54.37 3gb3 s PHE 17 Cb -0.12 -1.91 -0.00 0.00 0.51 0.00 0.00 43.02 41.49 3gb3 s PHE 17 CO 0.01 -0.83 -0.12 0.42 0.70 0.00 0.00 175.22 175.40 3gb3 s ILE 18 N 1.24 2.90 -0.37 0.64 1.01 0.15 -0.61 121.20 126.15 3gb3 s ILE 18 Ca 0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 59.91 3gb3 s ILE 18 Cb -0.15 -2.26 0.06 0.00 0.01 0.00 0.00 42.46 40.12 3gb3 s ILE 18 CO -0.10 0.49 0.16 -0.62 0.00 0.00 0.00 174.94 174.87 3gb3 s ASP 19 N 1.03 5.39 0.31 3.58 2.15 0.29 -1.52 116.67 127.90 3gb3 s ASP 19 Ca -0.01 -1.39 0.04 0.00 0.43 0.00 0.00 52.55 51.62 3gb3 s ASP 19 Cb -0.15 -1.89 -0.06 0.00 -0.30 0.00 0.00 42.92 40.52 3gb3 s ASP 19 CO -0.02 -0.42 0.05 -0.83 -0.17 0.00 0.00 175.17 173.78 3gb3 s GLY 20 N 1.69 1.99 -0.00 2.66 0.00 -0.18 -1.84 107.32 111.63 3gb3 s GLY 20 Ca 0.01 -2.01 -0.12 0.00 0.00 0.00 0.00 44.72 42.60 3gb3 s GLY 20 CO 0.01 -1.79 0.24 -1.83 0.00 0.00 0.00 173.10 169.74 3gb3 s GLU 21 N -3.89 0.61 -0.11 2.90 -1.05 -0.62 -1.27 118.70 115.25 3gb3 s GLU 21 Ca 0.36 -0.29 -0.02 0.00 -0.15 0.00 0.00 54.97 54.87 3gb3 s GLU 21 Cb 0.08 0.26 0.04 0.00 -0.44 0.00 0.00 34.13 34.07 3gb3 s GLU 21 CO 0.15 -0.16 0.00 0.54 0.95 0.00 0.00 175.26 176.74 3gb3 s VAL 22 N -1.43 0.51 -1.45 1.83 0.11 -0.72 0.35 120.40 119.59 3gb3 s VAL 22 Ca -0.14 -0.13 -0.07 0.00 -2.93 0.00 0.00 61.98 58.72 3gb3 s VAL 22 Cb -0.06 -0.75 0.05 0.00 -1.53 0.00 0.00 36.38 34.09 3gb3 s VAL 22 CO 0.03 0.14 0.75 0.59 -3.33 0.00 0.00 175.10 173.28 3gb3 n ASN 23 N 5.09 -2.50 0.00 3.54 5.03 -0.61 -1.08 115.26 124.73 3gb3 n ASN 23 Ca -0.08 -0.87 0.00 0.00 0.87 0.00 0.00 54.58 54.50 3gb3 n ASN 23 Cb 0.49 -3.65 0.00 0.00 -1.02 0.00 0.00 39.78 35.61 3gb3 n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gb3 n GLY 24 N -1.68 0.31 3.36 7.41 0.00 -1.26 -5.02 105.19 108.31 3gb3 n GLY 24 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3gb3 n GLY 24 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gb3 s GLN 25 N -0.87 2.79 0.52 1.61 -0.21 -0.24 -5.10 119.66 118.17 3gb3 s GLN 25 Ca 0.00 -1.15 -0.22 0.00 0.02 0.00 0.00 55.36 54.01 3gb3 s GLN 25 Cb 0.00 -3.75 -0.06 0.00 1.00 0.00 0.00 33.01 30.20 3gb3 s GLN 25 CO 0.00 -0.75 1.33 0.15 -2.12 0.00 0.00 175.29 173.90 3gb3 s LYS 26 N 1.54 3.29 0.06 2.91 -0.14 -1.26 -1.76 119.74 124.37 3gb3 s LYS 26 Ca 0.02 2.18 -0.04 0.00 -1.36 0.00 0.00 55.97 56.77 3gb3 s LYS 26 Cb -0.20 -2.32 -0.03 0.00 -1.68 0.00 0.00 37.83 33.61 3gb3 s LYS 26 CO 0.06 -1.05 0.04 -0.59 -0.76 0.00 0.00 175.35 173.05 3gb3 s PHE 27 N -1.33 0.39 -0.05 3.18 -0.71 -0.40 -4.93 117.98 114.13 3gb3 s PHE 27 Ca 0.69 -0.89 0.02 0.00 -1.04 0.00 0.00 56.93 55.71 3gb3 s PHE 27 Cb -0.39 -0.27 0.02 0.00 -1.21 0.00 0.00 43.02 41.16 3gb3 s PHE 27 CO 0.46 -0.43 -0.07 0.99 -1.34 0.00 0.00 175.22 174.83 3gb3 s THR 28 N -3.84 0.74 -0.06 -4.49 2.01 -1.26 -1.01 115.64 107.72 3gb3 s THR 28 Ca 0.06 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 61.84 3gb3 s THR 28 Cb 0.07 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.87 3gb3 s THR 28 CO -0.10 0.26 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.28 3gb3 s ILE 29 N 0.70 1.52 -0.03 1.82 1.01 -0.58 -0.04 121.20 125.60 3gb3 s ILE 29 Ca -0.11 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 59.86 3gb3 s ILE 29 Cb -0.14 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 3gb3 s ILE 29 CO 0.01 0.44 -0.23 -0.69 0.00 0.00 0.00 174.94 174.47 3gb3 s VAL 30 N 0.24 1.87 0.03 2.92 1.01 -0.66 0.32 120.40 126.12 3gb3 s VAL 30 Ca -0.09 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.85 3gb3 s VAL 30 Cb -0.14 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3gb3 s VAL 30 CO 0.04 0.53 0.08 0.00 0.00 0.00 0.00 175.10 175.74 3gb3 s ALA 31 N -0.34 -0.08 0.13 5.51 0.00 -0.15 -0.30 121.76 126.53 3gb3 s ALA 31 Ca 0.03 -0.47 -0.14 0.00 0.00 0.00 0.00 51.96 51.38 3gb3 s ALA 31 Cb -0.11 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.23 3gb3 s ALA 31 CO 0.01 -0.26 0.37 0.16 0.00 0.00 0.00 175.76 176.04 3gb3 s ASP 32 N -1.84 -0.14 0.00 0.00 -4.77 -0.77 -0.39 116.67 108.77 3gb3 s ASP 32 Ca -0.09 -0.48 0.00 0.00 -3.30 0.00 0.00 52.55 48.68 3gb3 s ASP 32 Cb -0.04 0.46 0.00 0.00 -1.09 0.00 0.00 42.92 42.25 3gb3 s ASP 32 CO -0.02 -0.87 0.00 0.61 0.70 0.00 0.00 175.17 175.59 3gb3 n GLY 33 N -0.21 0.91 3.40 2.12 0.00 -0.47 -1.45 105.19 109.48 3gb3 n GLY 33 Ca -0.14 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 3gb3 n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gb3 s SER 34 N 1.28 3.11 -0.15 1.61 0.01 -1.25 -1.10 113.70 117.20 3gb3 s SER 34 Ca 0.00 -0.96 -0.08 0.00 1.31 0.00 0.00 55.95 56.22 3gb3 s SER 34 Cb 0.00 -0.22 0.06 0.00 0.21 0.00 0.00 66.02 66.07 3gb3 s SER 34 CO 0.00 -0.01 0.36 -0.55 0.41 0.00 0.00 173.24 173.45 3gb3 s SER 35 N -3.11 -0.43 -0.07 2.44 0.15 -0.24 -4.13 113.70 108.31 3gb3 s SER 35 Ca 0.23 0.79 -0.03 0.00 0.70 0.00 0.00 55.95 57.65 3gb3 s SER 35 Cb -0.05 0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 64.92 3gb3 s SER 35 CO 0.10 -0.19 0.05 -0.54 1.20 0.00 0.00 173.24 173.86 3gb3 s LYS 36 N 1.42 3.10 0.31 5.44 1.02 -1.26 -0.63 119.74 129.13 3gb3 s LYS 36 Ca -0.09 -0.37 -0.29 0.00 0.02 0.00 0.00 55.97 55.24 3gb3 s LYS 36 Cb -0.09 -2.89 -0.13 0.00 -0.52 0.00 0.00 37.83 34.20 3gb3 s LYS 36 CO -0.12 0.70 1.21 0.34 -0.92 0.00 0.00 175.35 176.57 3gb3 n PHE 37 N 1.85 1.92 0.92 3.18 7.35 -1.25 0.46 117.46 131.89 3gb3 n PHE 37 Ca -0.17 0.59 0.04 0.00 -0.76 0.00 0.00 57.45 57.14 3gb3 n PHE 37 Cb 0.54 -2.37 0.13 0.00 0.35 0.00 0.00 39.48 38.13 3gb3 n PHE 37 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3gb3 n PRO 38 N 0.83 1.84 0.00 -7.13 -0.04 -1.26 -4.99 135.00 124.25 3gb3 n PRO 38 Ca 0.07 -1.03 0.00 0.00 -0.04 0.00 0.00 63.50 62.50 3gb3 n PRO 38 Cb 0.34 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 3gb3 n PRO 38 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3gb3 n HIS 39 N 0.29 -1.10 -0.46 0.54 8.25 0.17 -4.60 115.22 118.31 3gb3 n HIS 39 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3gb3 n HIS 39 Cb 0.32 0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.55 3gb3 n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gb3 n GLY 40 N 0.00 1.09 3.16 -1.41 0.00 0.93 -4.62 105.19 104.33 3gb3 n GLY 40 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3gb3 n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gb3 s ASP 41 N -3.06 -1.53 0.12 1.61 -1.08 -1.25 -1.00 116.67 110.47 3gb3 s ASP 41 Ca 0.00 -0.06 -0.07 0.00 -0.52 0.00 0.00 52.55 51.90 3gb3 s ASP 41 Cb 0.00 1.96 -0.01 0.00 -1.46 0.00 0.00 42.92 43.40 3gb3 s ASP 41 CO 0.00 -0.25 0.18 0.72 0.52 0.00 0.00 175.17 176.34 3gb3 s PHE 42 N 2.58 0.41 0.18 -5.34 -0.71 -0.49 -4.84 117.98 109.76 3gb3 s PHE 42 Ca 0.12 -0.82 0.09 0.00 -1.04 0.00 0.00 56.93 55.29 3gb3 s PHE 42 Cb -0.08 -0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.53 3gb3 s PHE 42 CO -0.21 -0.60 -0.09 -0.80 -1.34 0.00 0.00 175.22 172.18 3gb3 s ASN 43 N -2.94 4.27 0.01 1.98 0.02 -1.26 -0.78 114.94 116.24 3gb3 s ASN 43 Ca 0.13 -0.56 0.02 0.00 -1.02 0.00 0.00 52.86 51.43 3gb3 s ASN 43 Cb 0.05 -0.73 -0.01 0.00 0.02 0.00 0.00 41.25 40.58 3gb3 s ASN 43 CO -0.04 0.11 -0.08 0.54 0.02 0.00 0.00 177.10 177.65 3gb3 s VAL 44 N -1.68 0.59 -0.27 1.60 0.11 -0.06 -3.95 120.40 116.73 3gb3 s VAL 44 Ca 0.25 -0.50 -0.06 0.00 -2.93 0.00 0.00 61.98 58.74 3gb3 s VAL 44 Cb -0.09 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 3gb3 s VAL 44 CO 0.15 0.04 0.05 -2.28 -3.33 0.00 0.00 175.10 169.74 3gb3 s HIS 45 N -0.44 3.11 -0.07 1.54 2.46 -0.53 -0.82 115.29 120.54 3gb3 s HIS 45 Ca 0.00 -0.91 0.03 0.00 0.47 0.00 0.00 55.06 54.66 3gb3 s HIS 45 Cb -0.04 -2.22 -0.02 0.00 -0.13 0.00 0.00 32.58 30.16 3gb3 s HIS 45 CO -0.00 -0.54 -0.15 0.00 -2.47 0.00 0.00 174.74 171.58 3gb3 s ALA 46 N 1.51 2.60 -0.05 1.58 0.00 -0.01 -1.84 121.76 125.55 3gb3 s ALA 46 Ca 0.04 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.07 3gb3 s ALA 46 Cb -0.16 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 21.96 3gb3 s ALA 46 CO 0.02 0.46 -0.14 0.08 0.00 0.00 0.00 175.76 176.18 3gb3 s VAL 47 N -0.39 1.18 -0.38 0.00 1.01 0.59 -1.60 120.40 120.81 3gb3 s VAL 47 Ca 0.04 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.21 3gb3 s VAL 47 Cb -0.12 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.23 3gb3 s VAL 47 CO 0.02 0.35 0.92 0.00 0.00 0.00 0.00 175.10 176.40 3gb3 n GLU 49 N 6.80 0.37 -1.06 0.00 1.02 0.94 -3.81 120.64 124.90 3gb3 n GLU 49 Ca 0.07 -0.08 -0.15 0.00 -0.02 0.00 0.00 57.16 56.98 3gb3 n GLU 49 Cb 0.48 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.58 3gb3 n GLU 49 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3gb3 n THR 50 N -1.24 2.87 0.00 2.62 -2.24 -1.25 -4.97 114.28 110.08 3gb3 n THR 50 Ca 0.12 -2.56 0.00 0.00 -2.27 0.00 0.00 64.05 59.33 3gb3 n THR 50 Cb 0.29 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 3gb3 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gb3 n GLY 51 N -1.10 0.94 3.07 3.38 0.00 -1.25 -4.84 105.19 105.40 3gb3 n GLY 51 Ca 0.46 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 3gb3 n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gb3 s LYS 52 N 0.00 1.46 0.19 1.61 2.47 -1.26 -4.18 119.74 120.02 3gb3 s LYS 52 Ca 0.00 -0.47 -0.30 0.00 -1.56 0.00 0.00 55.97 53.64 3gb3 s LYS 52 Cb 0.00 -1.29 -0.08 0.00 -1.46 0.00 0.00 37.83 35.00 3gb3 s LYS 52 CO 0.00 0.17 1.23 -1.17 0.16 0.00 0.00 175.35 175.74 3gb3 s LEU 53 N 0.16 4.44 0.00 5.43 2.96 -1.26 -4.91 118.68 125.50 3gb3 s LEU 53 Ca -0.05 2.28 0.29 0.00 -0.22 0.00 0.00 54.13 56.44 3gb3 s LEU 53 Cb -0.11 -3.61 1.67 0.00 0.50 0.00 0.00 46.19 44.65 3gb3 s LEU 53 CO 0.02 -0.42 2.06 -2.65 -1.32 0.00 0.00 176.35 174.04 3gb3 n PRO 54 N 2.53 0.80 -4.18 0.98 -0.02 -1.26 -4.85 135.00 128.99 3gb3 n PRO 54 Ca 0.05 0.01 -0.13 0.00 -2.02 0.00 0.00 63.50 61.41 3gb3 n PRO 54 Cb 0.44 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.33 3gb3 n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gb3 s MET 55 N -2.13 1.32 0.30 -0.52 0.23 -1.26 -4.86 119.30 112.38 3gb3 s MET 55 Ca 0.40 -1.63 -0.28 0.00 -1.03 0.00 0.00 55.69 53.15 3gb3 s MET 55 Cb 0.20 0.30 -0.14 0.00 -1.53 0.00 0.00 34.83 33.67 3gb3 s MET 55 CO 0.36 -0.46 1.04 0.45 -2.03 0.00 0.00 175.02 174.39 3gb3 n SER 56 N -0.46 1.48 0.27 -1.18 2.88 0.02 -4.86 113.62 111.78 3gb3 n SER 56 Ca 0.02 1.18 0.18 0.00 -1.33 0.00 0.00 58.87 58.92 3gb3 n SER 56 Cb 0.65 -1.32 0.74 0.00 -0.75 0.00 0.00 64.21 63.54 3gb3 n SER 56 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 3gb3 h TRP 57 N 2.05 0.00 -0.22 0.66 4.06 -1.95 -3.35 115.95 117.19 3gb3 h TRP 57 Ca -0.40 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.54 3gb3 h TRP 57 Cb 1.33 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.48 3gb3 h TRP 57 CO 0.48 0.00 0.12 0.87 -3.56 0.00 0.00 178.44 176.35 3gb3 h LYS 58 N 0.00 0.31 0.00 0.49 1.79 -1.91 -1.48 116.57 115.76 3gb3 h LYS 58 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3gb3 h LYS 58 Cb 0.43 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 3gb3 h LYS 58 CO 0.00 0.28 0.00 -2.30 -1.08 0.00 0.00 179.45 176.35 3gb3 n PRO 59 N -4.88 0.39 0.02 3.15 -0.02 -1.26 -1.70 135.00 130.70 3gb3 n PRO 59 Ca -0.03 0.06 0.13 0.00 -2.02 0.00 0.00 63.50 61.64 3gb3 n PRO 59 Cb 0.07 -1.50 0.48 0.00 -0.02 0.00 0.00 33.50 32.53 3gb3 n PRO 59 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3gb3 n ILE 60 N -1.13 0.09 -0.34 4.25 2.08 -0.56 -4.26 119.36 119.49 3gb3 n ILE 60 Ca 0.10 -0.05 0.13 0.00 0.56 0.00 0.00 62.75 63.49 3gb3 n ILE 60 Cb 0.09 -0.32 0.33 0.00 -0.75 0.00 0.00 39.64 38.99 3gb3 n ILE 60 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3gb3 n HIS 62 N -4.71 0.00 0.08 0.00 1.44 -1.26 -3.25 115.22 107.51 3gb3 n HIS 62 Ca 0.22 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.73 3gb3 n HIS 62 Cb 0.55 -0.37 -0.15 0.00 0.12 0.00 0.00 29.99 30.14 3gb3 n HIS 62 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3gb3 h LEU 63 N 0.07 0.56 -5.66 2.39 3.38 -1.26 -3.44 115.31 111.35 3gb3 h LEU 63 Ca 0.00 -0.75 -0.72 0.00 0.09 0.00 0.00 57.88 56.50 3gb3 h LEU 63 Cb 0.48 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 3gb3 h LEU 63 CO 0.00 1.62 2.80 2.30 0.09 0.00 0.00 178.44 185.25 3gb3 n ILE 64 N -3.55 4.66 0.00 1.22 -5.35 -1.04 -5.08 119.36 110.22 3gb3 n ILE 64 Ca -0.19 -3.75 0.00 0.00 -0.27 0.00 0.00 62.75 58.53 3gb3 n ILE 64 Cb 1.07 -2.32 0.00 0.00 -1.74 0.00 0.00 39.64 36.64 3gb3 n ILE 64 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3gb3 n GLU 68 N 3.04 0.00 0.26 6.28 -0.58 -1.26 -4.96 120.64 123.43 3gb3 n GLU 68 Ca 0.61 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 57.48 3gb3 n GLU 68 Cb 0.28 0.00 0.73 0.00 -0.57 0.00 0.00 31.44 31.88 3gb3 n GLU 68 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3gb3 h PRO 69 N 0.00 0.00 0.00 3.49 0.13 -1.99 -0.94 132.00 132.70 3gb3 h PRO 69 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3gb3 h PRO 69 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3gb3 h PRO 69 CO 0.00 0.11 0.00 1.97 -0.23 0.00 0.00 178.00 179.85 3gb3 n PHE 70 N -3.77 0.00 -0.19 1.56 -1.74 -1.26 -2.03 117.46 110.04 3gb3 n PHE 70 Ca -0.02 0.00 0.10 0.00 -0.56 0.00 0.00 57.45 56.97 3gb3 n PHE 70 Cb 0.21 -0.38 0.26 0.00 1.52 0.00 0.00 39.48 41.09 3gb3 n PHE 70 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 3gb3 n PHE 71 N -1.38 0.75 -2.07 2.97 3.72 -0.36 -4.81 117.46 116.28 3gb3 n PHE 71 Ca 0.05 -0.44 -0.35 0.00 -0.05 0.00 0.00 57.45 56.66 3gb3 n PHE 71 Cb 0.14 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 38.69 3gb3 n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gb3 s ALA 72 N -1.08 2.58 -0.23 4.37 0.00 -0.86 -0.05 121.76 126.49 3gb3 s ALA 72 Ca 0.40 0.92 -0.18 0.00 0.00 0.00 0.00 51.96 53.11 3gb3 s ALA 72 Cb 0.21 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 3gb3 s ALA 72 CO 0.28 -1.05 0.49 0.50 0.00 0.00 0.00 175.76 175.98 3gb3 s ARG 73 N -3.36 4.13 -0.06 0.00 3.52 -0.07 -4.42 118.95 118.69 3gb3 s ARG 73 Ca 0.75 0.32 -0.02 0.00 -0.13 0.00 0.00 55.73 56.65 3gb3 s ARG 73 Cb -0.28 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.48 3gb3 s ARG 73 CO 0.32 -0.22 0.07 0.71 -0.81 0.00 0.00 175.30 175.36 3gb3 s TYR 74 N 1.88 3.32 0.62 5.12 1.51 -1.26 -1.27 117.35 127.27 3gb3 s TYR 74 Ca 0.21 0.28 -0.07 0.00 -1.01 0.00 0.00 57.07 56.49 3gb3 s TYR 74 Cb -0.15 -1.80 0.01 0.00 -0.11 0.00 0.00 41.96 39.91 3gb3 s TYR 74 CO 0.09 0.57 0.94 -1.25 -1.11 0.00 0.00 175.55 174.79 3gb3 s PRO 75 N -1.29 2.84 0.29 -1.71 0.04 -1.26 -5.00 135.00 128.92 3gb3 s PRO 75 Ca 0.18 0.03 -0.30 0.00 0.04 0.00 0.00 61.00 60.95 3gb3 s PRO 75 Cb -0.12 -2.23 -0.12 0.00 0.04 0.00 0.00 34.50 32.07 3gb3 s PRO 75 CO 0.08 -0.79 1.42 -3.47 0.04 0.00 0.00 177.00 174.27 3gb3 n ASP 76 N -2.67 3.09 0.00 6.66 2.03 -1.26 -2.44 116.55 121.96 3gb3 n ASP 76 Ca 0.05 1.17 0.00 0.00 0.52 0.00 0.00 54.79 56.53 3gb3 n ASP 76 Cb 0.58 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 3gb3 n ASP 76 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gb3 n GLY 77 N 1.61 1.82 3.05 0.27 0.00 -1.26 -5.05 105.19 105.63 3gb3 n GLY 77 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3gb3 n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gb3 s ILE 78 N -2.28 1.55 0.14 -0.61 1.01 -1.02 -5.07 121.20 114.91 3gb3 s ILE 78 Ca 0.00 -0.65 -0.31 0.00 0.00 0.00 0.00 60.65 59.69 3gb3 s ILE 78 Cb 0.00 -1.42 -0.08 0.00 0.01 0.00 0.00 42.46 40.97 3gb3 s ILE 78 CO 0.00 0.45 1.38 -0.55 0.00 0.00 0.00 174.94 176.23 3gb3 s SER 79 N 1.13 6.82 -1.13 3.58 0.15 -1.26 -4.68 113.70 118.30 3gb3 s SER 79 Ca -0.03 2.37 -0.16 0.00 0.70 0.00 0.00 55.95 58.83 3gb3 s SER 79 Cb -0.14 -2.59 0.14 0.00 -1.71 0.00 0.00 66.02 61.71 3gb3 s SER 79 CO -0.04 -0.64 1.39 -2.28 1.20 0.00 0.00 173.24 172.87 3gb3 s HIS 80 N 0.84 3.24 0.24 3.44 2.46 -1.26 -4.60 115.29 119.65 3gb3 s HIS 80 Ca 0.63 -1.78 -0.09 0.00 0.47 0.00 0.00 55.06 54.29 3gb3 s HIS 80 Cb -0.37 -4.39 0.38 0.00 -0.13 0.00 0.00 32.58 28.06 3gb3 s HIS 80 CO 0.33 -1.51 1.63 0.35 -2.47 0.00 0.00 174.74 173.06 3gb3 h PHE 81 N 7.84 -0.15 -0.60 3.88 3.57 -1.92 0.14 116.94 129.70 3gb3 h PHE 81 Ca 0.28 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.87 3gb3 h PHE 81 Cb 0.92 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 3gb3 h PHE 81 CO 1.17 -0.26 0.40 0.00 -2.23 0.00 0.00 178.31 177.39 3gb3 h ALA 82 N 1.70 1.66 -0.05 2.41 0.00 -1.91 -1.34 119.26 121.73 3gb3 h ALA 82 Ca 0.38 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.11 3gb3 h ALA 82 Cb 0.65 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.24 3gb3 h ALA 82 CO -0.68 0.29 -0.56 1.96 0.00 0.00 0.00 179.25 180.26 3gb3 h GLN 83 N 0.73 0.47 0.00 0.00 4.20 -1.70 -3.24 115.11 115.57 3gb3 h GLN 83 Ca 0.23 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.50 3gb3 h GLN 83 Cb 0.04 0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3gb3 h GLN 83 CO -0.06 1.08 0.20 0.93 -0.67 0.00 0.00 178.83 180.32 3gb3 h GLU 84 N 0.02 0.00 0.00 1.46 4.39 0.33 -2.07 114.58 118.71 3gb3 h GLU 84 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3gb3 h GLU 84 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3gb3 h GLU 84 CO 0.11 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 177.95 3gb3 s PHE 86 N -3.19 3.45 -0.72 0.00 0.08 -0.78 -0.42 117.98 116.40 3gb3 s PHE 86 Ca 0.08 0.75 0.26 0.00 0.12 0.00 0.00 56.93 58.13 3gb3 s PHE 86 Cb 0.07 -2.17 0.74 0.00 -0.57 0.00 0.00 43.02 41.09 3gb3 s PHE 86 CO 0.66 0.29 1.71 -0.35 -0.10 0.00 0.00 175.22 177.43 3gb3 n PRO 87 N -0.25 0.27 0.06 0.24 -0.04 -1.26 -4.22 135.00 129.80 3gb3 n PRO 87 Ca -0.01 0.20 0.03 0.00 -0.04 0.00 0.00 63.50 63.68 3gb3 n PRO 87 Cb 0.53 -1.79 0.41 0.00 -0.04 0.00 0.00 33.50 32.60 3gb3 n PRO 87 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gb3 h GLU 88 N 0.00 0.40 0.00 0.54 3.07 -1.86 -3.42 114.58 113.31 3gb3 h GLU 88 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3gb3 h GLU 88 Cb 0.74 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 3gb3 h GLU 88 CO 0.00 0.37 0.00 0.41 -1.40 0.00 0.00 179.01 178.39 3gb3 n GLY 89 N -1.19 -4.13 3.23 -3.84 0.00 0.44 -4.77 105.19 94.93 3gb3 n GLY 89 Ca 0.01 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.87 3gb3 n GLY 89 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3gb3 s LEU 90 N 0.00 1.45 0.24 0.99 2.34 -1.23 -0.99 118.68 121.48 3gb3 s LEU 90 Ca 0.00 -0.97 0.10 0.00 0.06 0.00 0.00 54.13 53.32 3gb3 s LEU 90 Cb 0.00 0.77 -0.05 0.00 -0.56 0.00 0.00 46.19 46.35 3gb3 s LEU 90 CO 0.00 -0.79 -0.18 -0.44 -1.06 0.00 0.00 176.35 173.88 3gb3 s SER 91 N -2.98 3.21 -0.02 1.48 0.01 -0.69 -2.14 113.70 112.58 3gb3 s SER 91 Ca 0.17 -1.01 0.04 0.00 1.31 0.00 0.00 55.95 56.46 3gb3 s SER 91 Cb 0.05 -0.24 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 3gb3 s SER 91 CO -0.02 -0.02 -0.13 -0.63 0.41 0.00 0.00 173.24 172.85 3gb3 s ILE 92 N -2.56 1.06 -0.12 1.44 1.01 -0.31 -1.10 121.20 120.61 3gb3 s ILE 92 Ca 0.26 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.38 3gb3 s ILE 92 Cb -0.04 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.55 3gb3 s ILE 92 CO 0.12 0.30 -0.19 -1.81 0.00 0.00 0.00 174.94 173.36 3gb3 s ASP 93 N -0.16 2.75 0.01 3.58 1.01 -0.74 0.41 116.67 123.53 3gb3 s ASP 93 Ca 0.02 -0.51 0.00 0.00 0.71 0.00 0.00 52.55 52.78 3gb3 s ASP 93 Cb -0.07 -1.26 -0.01 0.00 1.01 0.00 0.00 42.92 42.60 3gb3 s ASP 93 CO 0.00 0.06 -0.02 -0.60 0.21 0.00 0.00 175.17 174.82 3gb3 s ARG 94 N 0.83 0.15 -0.05 8.23 3.52 -0.62 -0.84 118.95 130.16 3gb3 s ARG 94 Ca -0.09 -0.18 0.04 0.00 -0.13 0.00 0.00 55.73 55.38 3gb3 s ARG 94 Cb -0.16 -0.06 -0.00 0.00 -1.56 0.00 0.00 34.95 33.18 3gb3 s ARG 94 CO -0.00 0.01 -0.17 0.95 -0.81 0.00 0.00 175.30 175.28 3gb3 s THR 95 N -0.36 1.43 -0.22 4.11 -4.23 -0.28 -0.82 115.64 115.28 3gb3 s THR 95 Ca -0.03 -0.71 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 3gb3 s THR 95 Cb -0.03 -1.24 0.05 0.00 1.34 0.00 0.00 72.50 72.63 3gb3 s THR 95 CO -0.00 0.41 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.73 3gb3 s VAL 96 N 0.11 1.58 -0.32 2.29 1.01 -0.01 -0.90 120.40 124.15 3gb3 s VAL 96 Ca -0.06 -1.13 -0.12 0.00 0.00 0.00 0.00 61.98 60.67 3gb3 s VAL 96 Cb -0.12 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 3gb3 s VAL 96 CO 0.03 0.01 0.22 -0.60 0.00 0.00 0.00 175.10 174.76 3gb3 s ARG 97 N 1.39 3.63 -0.07 2.72 3.52 -0.45 -0.76 118.95 128.94 3gb3 s ARG 97 Ca -0.04 -0.55 -0.21 0.00 -0.13 0.00 0.00 55.73 54.80 3gb3 s ARG 97 Cb -0.18 -3.75 -0.04 0.00 -1.56 0.00 0.00 34.95 29.42 3gb3 s ARG 97 CO -0.07 -0.36 0.62 -0.06 -0.81 0.00 0.00 175.30 174.62 3gb3 s PHE 98 N 1.73 3.57 0.20 5.12 0.40 -0.16 -0.25 117.98 128.60 3gb3 s PHE 98 Ca 0.06 1.14 -0.31 0.00 -0.60 0.00 0.00 56.93 57.22 3gb3 s PHE 98 Cb -0.17 -2.70 -0.11 0.00 0.51 0.00 0.00 43.02 40.55 3gb3 s PHE 98 CO 0.11 0.15 1.62 -1.21 0.70 0.00 0.00 175.22 176.58 3gb3 s GLU 99 N 0.60 4.17 -1.81 0.44 2.02 -0.57 -1.62 118.70 121.94 3gb3 s GLU 99 Ca 0.33 2.48 0.00 0.00 0.02 0.00 0.00 54.97 57.80 3gb3 s GLU 99 Cb -0.17 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 30.96 3gb3 s GLU 99 CO 0.16 -0.65 0.00 0.09 0.02 0.00 0.00 175.26 174.88 3gb3 n ASN 100 N 3.62 -5.73 0.00 -0.19 5.03 -1.26 -4.77 115.26 111.95 3gb3 n ASN 100 Ca 0.13 0.07 0.00 0.00 0.87 0.00 0.00 54.58 55.66 3gb3 n ASN 100 Cb 0.37 -4.82 0.00 0.00 -1.02 0.00 0.00 39.78 34.31 3gb3 n ASN 100 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3gb3 n ASP 101 N -1.90 0.00 -3.73 6.41 -0.08 -0.64 -4.86 116.55 111.76 3gb3 n ASP 101 Ca -0.24 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 52.82 3gb3 n ASP 101 Cb 0.68 0.00 0.14 0.00 2.34 0.00 0.00 41.12 44.28 3gb3 n ASP 101 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gb3 n GLY 102 N 0.00 -0.70 3.15 0.27 0.00 -1.17 -4.56 105.19 102.18 3gb3 n GLY 102 Ca 0.00 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 3gb3 n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gb3 s THR 103 N -3.05 1.68 -0.24 2.61 2.01 -0.04 -0.99 115.64 117.62 3gb3 s THR 103 Ca 0.59 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 61.67 3gb3 s THR 103 Cb -0.02 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.97 3gb3 s THR 103 CO 0.40 0.48 0.19 -0.04 -0.69 0.00 0.00 174.62 174.96 3gb3 s MET 104 N 0.39 4.07 -0.15 4.92 -1.94 0.06 -0.96 119.30 125.70 3gb3 s MET 104 Ca -0.15 -0.22 0.00 0.00 -1.71 0.00 0.00 55.69 53.61 3gb3 s MET 104 Cb -0.16 -3.55 -0.00 0.00 2.01 0.00 0.00 34.83 33.13 3gb3 s MET 104 CO 0.06 0.04 -0.16 0.99 -0.01 0.00 0.00 175.02 175.94 3gb3 s THR 105 N 1.13 2.63 0.05 2.05 2.01 -0.09 -0.83 115.64 122.58 3gb3 s THR 105 Ca 0.09 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.34 3gb3 s THR 105 Cb -0.14 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 3gb3 s THR 105 CO 0.05 0.52 -0.12 -0.94 -0.69 0.00 0.00 174.62 173.44 3gb3 s SER 106 N 0.81 1.43 -0.14 3.53 1.04 -0.00 -0.75 113.70 119.62 3gb3 s SER 106 Ca -0.05 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 55.89 3gb3 s SER 106 Cb -0.15 -0.05 0.01 0.00 0.10 0.00 0.00 66.02 65.92 3gb3 s SER 106 CO -0.00 -0.05 -0.22 -2.28 0.98 0.00 0.00 173.24 171.67 3gb3 s HIS 107 N -1.06 2.64 0.01 5.02 2.46 0.01 -1.59 115.29 122.77 3gb3 s HIS 107 Ca -0.02 -1.33 0.06 0.00 0.47 0.00 0.00 55.06 54.24 3gb3 s HIS 107 Cb -0.09 -1.80 -0.03 0.00 -0.13 0.00 0.00 32.58 30.54 3gb3 s HIS 107 CO 0.01 -0.61 -0.18 -1.01 -2.47 0.00 0.00 174.74 170.48 3gb3 s HIS 108 N 0.82 2.56 0.00 3.88 0.09 0.17 -1.90 115.29 120.91 3gb3 s HIS 108 Ca -0.07 -0.26 0.05 0.00 -0.00 0.00 0.00 55.06 54.78 3gb3 s HIS 108 Cb -0.15 -1.51 -0.02 0.00 -0.00 0.00 0.00 32.58 30.90 3gb3 s HIS 108 CO -0.02 0.19 -0.16 0.95 -0.00 0.00 0.00 174.74 175.70 3gb3 s THR 109 N -0.83 1.25 -0.10 1.30 -4.23 0.50 -1.17 115.64 112.37 3gb3 s THR 109 Ca 0.13 -0.78 0.02 0.00 -1.18 0.00 0.00 61.69 59.88 3gb3 s THR 109 Cb -0.10 -1.06 0.01 0.00 1.34 0.00 0.00 72.50 72.69 3gb3 s THR 109 CO 0.03 0.27 -0.16 -0.31 -0.54 0.00 0.00 174.62 173.91 3gb3 s TYR 110 N -0.50 1.96 -0.01 3.99 2.02 -0.91 -0.84 117.35 123.06 3gb3 s TYR 110 Ca 0.05 -0.88 0.03 0.00 -0.37 0.00 0.00 57.07 55.91 3gb3 s TYR 110 Cb -0.07 -1.40 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 3gb3 s TYR 110 CO -0.00 -0.44 -0.11 -1.21 -1.57 0.00 0.00 175.55 172.22 3gb3 s GLU 111 N 0.85 0.99 -0.23 -0.62 0.41 0.04 -3.52 118.70 116.62 3gb3 s GLU 111 Ca -0.10 -0.40 -0.16 0.00 -0.41 0.00 0.00 54.97 53.91 3gb3 s GLU 111 Cb -0.15 -0.95 -0.04 0.00 -1.78 0.00 0.00 34.13 31.21 3gb3 s GLU 111 CO 0.01 0.22 0.40 -1.17 -0.49 0.00 0.00 175.26 174.23 3gb3 s LEU 112 N -0.15 4.10 -0.78 1.80 2.96 -1.26 -0.66 118.68 124.69 3gb3 s LEU 112 Ca 0.02 0.44 0.03 0.00 -0.22 0.00 0.00 54.13 54.40 3gb3 s LEU 112 Cb -0.06 -2.50 0.19 0.00 0.50 0.00 0.00 46.19 44.32 3gb3 s LEU 112 CO -0.00 -0.14 0.62 -0.67 -1.32 0.00 0.00 176.35 174.84 3gb3 n ASP 113 N 4.88 3.52 0.00 3.68 2.03 0.70 -4.99 116.55 126.36 3gb3 n ASP 113 Ca -0.08 -3.19 0.00 0.00 0.52 0.00 0.00 54.79 52.04 3gb3 n ASP 113 Cb 0.51 -0.87 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 3gb3 n ASP 113 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3gb3 n ASP 114 N 2.04 0.00 -0.15 1.67 2.03 -1.26 -2.42 116.55 118.47 3gb3 n ASP 114 Ca 0.21 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.61 3gb3 n ASP 114 Cb 0.36 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.89 3gb3 n ASP 114 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3gb3 n THR 115 N 0.00 1.76 -4.99 5.18 -2.24 -1.26 -4.98 114.28 107.75 3gb3 n THR 115 Ca 0.00 -2.16 -0.32 0.00 -2.27 0.00 0.00 64.05 59.29 3gb3 n THR 115 Cb 0.00 -0.18 -0.15 0.00 -2.10 0.00 0.00 70.33 67.90 3gb3 n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gb3 s VAL 117 N -0.04 5.14 -0.17 0.00 1.01 -0.64 -0.22 120.40 125.48 3gb3 s VAL 117 Ca -0.05 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 3gb3 s VAL 117 Cb -0.14 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3gb3 s VAL 117 CO 0.04 0.42 -0.04 -0.69 0.00 0.00 0.00 175.10 174.83 3gb3 s VAL 118 N 0.60 3.73 -0.10 2.92 1.01 0.16 -1.66 120.40 127.07 3gb3 s VAL 118 Ca 0.06 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3gb3 s VAL 118 Cb -0.12 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 3gb3 s VAL 118 CO 0.01 0.47 -0.11 -0.55 0.00 0.00 0.00 175.10 174.92 3gb3 s SER 119 N 0.68 4.24 -0.10 3.32 0.15 0.52 -0.78 113.70 121.74 3gb3 s SER 119 Ca -0.02 -0.21 0.02 0.00 0.70 0.00 0.00 55.95 56.45 3gb3 s SER 119 Cb -0.14 -1.34 0.01 0.00 -1.71 0.00 0.00 66.02 62.84 3gb3 s SER 119 CO 0.02 0.25 -0.16 -0.13 1.20 0.00 0.00 173.24 174.42 3gb3 s ARG 120 N -0.17 2.28 -0.06 5.44 0.52 -0.02 -1.45 118.95 125.48 3gb3 s ARG 120 Ca 0.01 -0.60 0.02 0.00 -0.52 0.00 0.00 55.73 54.64 3gb3 s ARG 120 Cb -0.13 -1.87 0.01 0.00 0.52 0.00 0.00 34.95 33.48 3gb3 s ARG 120 CO 0.03 0.01 -0.12 0.42 0.02 0.00 0.00 175.30 175.66 3gb3 s ILE 121 N 0.77 1.11 -0.08 1.52 1.01 0.22 -0.37 121.20 125.39 3gb3 s ILE 121 Ca -0.11 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.10 3gb3 s ILE 121 Cb -0.16 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 3gb3 s ILE 121 CO 0.02 0.35 -0.14 0.42 0.00 0.00 0.00 174.94 175.58 3gb3 s THR 122 N 0.66 3.02 -0.03 2.92 -4.23 -0.80 -0.54 115.64 116.65 3gb3 s THR 122 Ca -0.14 -0.72 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 3gb3 s THR 122 Cb -0.16 -2.21 0.02 0.00 1.34 0.00 0.00 72.50 71.50 3gb3 s THR 122 CO 0.04 0.57 -0.01 0.54 -0.54 0.00 0.00 174.62 175.21 3gb3 s VAL 123 N -0.37 0.23 -0.21 2.29 0.11 -0.77 -0.81 120.40 120.88 3gb3 s VAL 123 Ca 0.04 0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 59.07 3gb3 s VAL 123 Cb -0.12 -0.30 -0.01 0.00 -1.53 0.00 0.00 36.38 34.42 3gb3 s VAL 123 CO 0.02 0.14 -0.05 0.20 -3.33 0.00 0.00 175.10 172.09 3gb3 s ASN 124 N 0.81 4.31 -0.39 3.54 -0.87 0.07 -1.59 114.94 120.81 3gb3 s ASN 124 Ca -0.08 -0.37 -0.03 0.00 -1.57 0.00 0.00 52.86 50.80 3gb3 s ASN 124 Cb -0.12 -1.73 0.10 0.00 -0.02 0.00 0.00 41.25 39.48 3gb3 s ASN 124 CO -0.01 -0.00 0.17 0.00 -2.57 0.00 0.00 177.10 174.69 3gb3 s ASP 126 N 1.75 3.23 -1.40 0.00 1.01 -0.13 -1.58 116.67 119.56 3gb3 s ASP 126 Ca 0.06 -0.86 -0.00 0.00 0.71 0.00 0.00 52.55 52.46 3gb3 s ASP 126 Cb -0.22 -0.23 0.00 0.00 1.01 0.00 0.00 42.92 43.48 3gb3 s ASP 126 CO -0.03 0.09 0.01 0.61 0.21 0.00 0.00 175.17 176.05 3gb3 n GLY 127 N 0.32 -0.31 3.78 0.21 0.00 -1.26 -0.86 105.19 107.07 3gb3 n GLY 127 Ca -0.13 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 3gb3 n GLY 127 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gb3 s PHE 128 N -2.82 3.75 -0.35 1.61 0.08 -1.26 -3.03 117.98 115.96 3gb3 s PHE 128 Ca 0.00 1.74 -0.28 0.00 0.12 0.00 0.00 56.93 58.50 3gb3 s PHE 128 Cb -0.00 -2.87 0.02 0.00 -0.57 0.00 0.00 43.02 39.59 3gb3 s PHE 128 CO 0.00 0.29 1.06 -0.65 -0.10 0.00 0.00 175.22 175.83 3gb3 s GLN 129 N -1.83 3.97 0.55 0.44 -1.52 -1.26 -4.88 119.66 115.13 3gb3 s GLN 129 Ca 0.47 0.91 0.22 0.00 -1.95 0.00 0.00 55.36 55.00 3gb3 s GLN 129 Cb -0.20 -3.78 1.48 0.00 -0.22 0.00 0.00 33.01 30.30 3gb3 s GLN 129 CO 0.25 -0.99 2.16 -1.35 -0.25 0.00 0.00 175.29 175.11 3gb3 h PRO 130 N 8.34 0.00 -0.63 2.91 0.11 -1.98 -0.67 132.00 140.09 3gb3 h PRO 130 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3gb3 h PRO 130 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gb3 h PRO 130 CO 1.04 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.43 3gb3 n ASP 131 N -4.25 3.78 -4.76 -2.05 5.75 -1.26 -4.48 116.55 109.27 3gb3 n ASP 131 Ca -0.01 -2.00 -0.29 0.00 -0.01 0.00 0.00 54.79 52.48 3gb3 n ASP 131 Cb 0.16 -0.42 0.11 0.00 -1.03 0.00 0.00 41.12 39.94 3gb3 n ASP 131 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3gb3 s GLY 132 N -1.15 1.64 0.19 6.12 0.00 -0.26 -4.90 107.32 108.96 3gb3 s GLY 132 Ca 0.46 -0.79 0.24 0.00 0.00 0.00 0.00 44.72 44.63 3gb3 s GLY 132 CO 0.33 -0.26 1.73 -1.55 0.00 0.00 0.00 173.10 173.35 3gb3 n PRO 133 N -3.35 0.18 -0.01 2.90 -0.04 -1.26 -1.31 135.00 132.11 3gb3 n PRO 133 Ca 0.09 0.30 -0.08 0.00 -0.04 0.00 0.00 63.50 63.77 3gb3 n PRO 133 Cb 0.61 -1.78 -0.06 0.00 -0.04 0.00 0.00 33.50 32.22 3gb3 n PRO 133 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3gb3 h ILE 134 N 0.00 0.78 0.00 0.52 2.04 -1.94 0.03 117.51 118.94 3gb3 h ILE 134 Ca 0.00 -1.39 -0.04 0.00 1.00 0.00 0.00 64.86 64.43 3gb3 h ILE 134 Cb 0.49 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 3gb3 h ILE 134 CO 0.00 0.24 -0.17 0.24 0.00 0.00 0.00 178.15 178.46 3gb3 h MET 135 N -0.96 0.00 -0.25 2.37 2.86 -1.72 0.18 114.93 117.40 3gb3 h MET 135 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3gb3 h MET 135 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 3gb3 h MET 135 CO 0.02 0.17 0.00 0.54 1.06 0.00 0.00 176.91 178.70 3gb3 n ARG 136 N -3.59 2.19 -3.50 1.72 1.74 -0.42 -4.70 116.66 110.09 3gb3 n ARG 136 Ca -0.01 -1.78 -0.20 0.00 -0.77 0.00 0.00 57.85 55.09 3gb3 n ARG 136 Cb 0.31 -1.47 0.09 0.00 -1.02 0.00 0.00 32.46 30.37 3gb3 n ARG 136 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3gb3 n ASP 137 N 1.02 -3.79 -0.45 0.55 2.03 -1.03 -4.90 116.55 109.97 3gb3 n ASP 137 Ca 0.18 -0.59 0.09 0.00 0.52 0.00 0.00 54.79 54.98 3gb3 n ASP 137 Cb 0.50 -5.09 0.19 0.00 -0.72 0.00 0.00 41.12 36.00 3gb3 n ASP 137 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gb3 n GLN 138 N -4.49 1.94 -3.39 -0.67 6.02 -0.03 -4.98 117.38 111.78 3gb3 n GLN 138 Ca -0.17 -2.74 -0.38 0.00 -0.01 0.00 0.00 57.00 53.70 3gb3 n GLN 138 Cb 0.63 -1.65 -0.06 0.00 1.02 0.00 0.00 30.24 30.17 3gb3 n GLN 138 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3gb3 s LEU 139 N -2.90 4.33 -0.10 1.08 1.43 -1.23 -0.65 118.68 120.64 3gb3 s LEU 139 Ca 0.37 0.82 0.12 0.00 -1.03 0.00 0.00 54.13 54.41 3gb3 s LEU 139 Cb 0.31 -2.63 -0.16 0.00 0.03 0.00 0.00 46.19 43.74 3gb3 s LEU 139 CO 0.05 0.11 0.09 0.52 0.23 0.00 0.00 176.35 177.35 3gb3 n VAL 140 N 3.11 0.69 -3.95 -1.59 0.31 0.91 -4.92 118.33 112.88 3gb3 n VAL 140 Ca -0.10 -0.49 -0.09 0.00 -0.01 0.00 0.00 64.34 63.66 3gb3 n VAL 140 Cb 0.52 -0.50 -0.04 0.00 -0.91 0.00 0.00 33.84 32.90 3gb3 n VAL 140 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 3gb3 s ASP 141 N -4.35 -0.12 -0.18 4.52 1.47 -1.24 -4.98 116.67 111.79 3gb3 s ASP 141 Ca -0.06 -0.85 -0.01 0.00 1.18 0.00 0.00 52.55 52.81 3gb3 s ASP 141 Cb 0.05 0.64 -0.00 0.00 -0.34 0.00 0.00 42.92 43.27 3gb3 s ASP 141 CO 0.52 -1.22 -0.13 -0.63 0.68 0.00 0.00 175.17 174.39 3gb3 s ILE 142 N -3.92 2.80 0.08 2.11 1.01 -1.26 -2.26 121.20 119.76 3gb3 s ILE 142 Ca 0.19 -0.71 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 3gb3 s ILE 142 Cb -0.02 -2.21 -0.06 0.00 0.01 0.00 0.00 42.46 40.17 3gb3 s ILE 142 CO 0.09 0.49 1.17 -0.76 0.00 0.00 0.00 174.94 175.93 3gb3 s LEU 143 N 1.09 4.39 0.48 2.97 1.43 0.40 -4.73 118.68 124.71 3gb3 s LEU 143 Ca 0.00 2.02 -0.24 0.00 -1.03 0.00 0.00 54.13 54.88 3gb3 s LEU 143 Cb -0.14 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 3gb3 s LEU 143 CO -0.03 -0.41 1.33 -2.65 0.23 0.00 0.00 176.35 174.82 3gb3 n PRO 144 N 3.59 1.92 -3.85 1.29 -0.02 -1.26 -4.57 135.00 132.10 3gb3 n PRO 144 Ca 0.07 0.69 -0.09 0.00 -2.02 0.00 0.00 63.50 62.15 3gb3 n PRO 144 Cb 0.47 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.37 3gb3 n PRO 144 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gb3 s ASN 145 N -0.65 -0.04 -0.89 2.55 2.20 -0.84 -5.00 114.94 112.27 3gb3 s ASN 145 Ca 0.65 -0.66 -0.13 0.00 -0.94 0.00 0.00 52.86 51.77 3gb3 s ASN 145 Cb -0.46 0.45 0.23 0.00 -2.00 0.00 0.00 41.25 39.47 3gb3 s ASN 145 CO 0.55 -0.88 0.85 -1.61 -2.94 0.00 0.00 177.10 173.07 3gb3 s GLU 146 N -3.90 3.74 0.47 3.55 0.41 -1.26 -1.19 118.70 120.52 3gb3 s GLU 146 Ca 0.11 -2.62 -0.23 0.00 -0.41 0.00 0.00 54.97 51.82 3gb3 s GLU 146 Cb 0.03 -4.47 -0.07 0.00 -1.78 0.00 0.00 34.13 27.84 3gb3 s GLU 146 CO -0.05 -1.29 1.18 0.95 -0.49 0.00 0.00 175.26 175.56 3gb3 s THR 147 N -0.11 3.02 -0.17 3.63 -4.23 -0.48 -4.85 115.64 112.44 3gb3 s THR 147 Ca 0.21 0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 61.44 3gb3 s THR 147 Cb -0.10 -3.38 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 3gb3 s THR 147 CO -0.09 -0.02 -0.02 -1.00 -0.54 0.00 0.00 174.62 172.96 3gb3 s HIS 148 N -1.54 3.05 -0.16 3.99 3.76 0.13 -1.18 115.29 123.33 3gb3 s HIS 148 Ca 0.65 -0.34 -0.05 0.00 -0.15 0.00 0.00 55.06 55.17 3gb3 s HIS 148 Cb -0.29 -2.01 -0.03 0.00 1.11 0.00 0.00 32.58 31.35 3gb3 s HIS 148 CO 0.35 -0.10 -0.01 -1.64 -0.85 0.00 0.00 174.74 172.49 3gb3 s MET 149 N 0.61 3.76 0.06 1.40 -1.94 0.44 -0.80 119.30 122.82 3gb3 s MET 149 Ca -0.01 -0.47 0.06 0.00 -1.71 0.00 0.00 55.69 53.56 3gb3 s MET 149 Cb -0.14 -3.01 -0.03 0.00 2.01 0.00 0.00 34.83 33.67 3gb3 s MET 149 CO 0.02 0.25 -0.16 -0.06 -0.01 0.00 0.00 175.02 175.06 3gb3 s PHE 150 N 0.37 1.38 0.52 -0.03 0.08 0.53 -1.30 117.98 119.53 3gb3 s PHE 150 Ca -0.02 -0.39 -0.22 0.00 0.12 0.00 0.00 56.93 56.41 3gb3 s PHE 150 Cb -0.14 -0.80 -0.06 0.00 -0.57 0.00 0.00 43.02 41.46 3gb3 s PHE 150 CO 0.02 0.07 1.32 -1.25 -0.10 0.00 0.00 175.22 175.29 3gb3 s PRO 151 N -1.42 3.34 -0.47 0.24 0.04 -1.26 -0.74 135.00 134.72 3gb3 s PRO 151 Ca 0.02 2.15 0.05 0.00 0.04 0.00 0.00 61.00 63.26 3gb3 s PRO 151 Cb -0.09 -2.33 0.18 0.00 0.04 0.00 0.00 34.50 32.30 3gb3 s PRO 151 CO 0.02 -1.01 0.40 1.58 0.04 0.00 0.00 177.00 178.03 3gb3 n HIS 152 N -0.81 0.04 -4.52 0.56 -0.00 -0.48 -4.66 115.22 105.36 3gb3 n HIS 152 Ca 0.09 -3.54 0.00 0.00 0.46 0.00 0.00 57.72 54.73 3gb3 n HIS 152 Cb 0.45 0.02 0.00 0.00 -0.12 0.00 0.00 29.99 30.34 3gb3 n HIS 152 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3gb3 n GLY 153 N 2.48 -1.07 0.10 1.57 0.00 -1.26 -3.64 105.19 103.37 3gb3 n GLY 153 Ca 0.27 -1.16 0.13 0.00 0.00 0.00 0.00 46.02 45.27 3gb3 n GLY 153 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gb3 n PRO 154 N -0.69 0.41 -0.19 1.61 -0.04 -1.26 -4.21 135.00 130.64 3gb3 n PRO 154 Ca 0.00 -0.20 0.01 0.00 -0.04 0.00 0.00 63.50 63.27 3gb3 n PRO 154 Cb 0.00 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 3gb3 n PRO 154 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3gb3 n ASN 155 N -1.12 0.36 -3.93 3.54 3.02 -1.26 -4.61 115.26 111.27 3gb3 n ASN 155 Ca 0.10 -1.61 -0.09 0.00 -0.03 0.00 0.00 54.58 52.95 3gb3 n ASN 155 Cb 0.32 -0.10 -0.08 0.00 -0.61 0.00 0.00 39.78 39.31 3gb3 n ASN 155 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gb3 s ALA 156 N -0.31 -0.02 0.04 5.41 0.00 -1.24 -0.15 121.76 125.49 3gb3 s ALA 156 Ca 0.02 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.22 3gb3 s ALA 156 Cb 0.02 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 3gb3 s ALA 156 CO 0.00 -0.53 -0.12 0.14 0.00 0.00 0.00 175.76 175.25 3gb3 s VAL 157 N -3.91 0.91 -0.12 0.00 -7.23 -0.22 -1.38 120.40 108.44 3gb3 s VAL 157 Ca 0.10 -0.97 -0.02 0.00 -1.81 0.00 0.00 61.98 59.27 3gb3 s VAL 157 Cb 0.05 -0.85 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 3gb3 s VAL 157 CO -0.07 -0.10 -0.04 -0.60 -0.31 0.00 0.00 175.10 173.98 3gb3 s ARG 158 N -1.21 3.36 -0.24 4.82 3.52 0.08 -0.31 118.95 128.97 3gb3 s ARG 158 Ca -0.01 -0.51 -0.04 0.00 -0.13 0.00 0.00 55.73 55.03 3gb3 s ARG 158 Cb -0.08 -2.82 -0.00 0.00 -1.56 0.00 0.00 34.95 30.48 3gb3 s ARG 158 CO 0.01 0.41 -0.01 -1.14 -0.81 0.00 0.00 175.30 173.76 3gb3 s GLN 159 N -0.10 3.27 -0.01 5.12 0.74 0.53 -0.34 119.66 128.87 3gb3 s GLN 159 Ca 0.02 -0.70 0.03 0.00 0.05 0.00 0.00 55.36 54.76 3gb3 s GLN 159 Cb -0.13 -3.10 -0.03 0.00 1.10 0.00 0.00 33.01 30.85 3gb3 s GLN 159 CO 0.03 -0.27 -0.08 -0.51 -0.55 0.00 0.00 175.29 173.91 3gb3 s LEU 160 N 1.47 3.11 0.11 3.68 1.43 0.02 -0.97 118.68 127.53 3gb3 s LEU 160 Ca 0.04 -0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 52.82 3gb3 s LEU 160 Cb -0.15 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.36 3gb3 s LEU 160 CO -0.02 0.30 0.47 0.00 0.23 0.00 0.00 176.35 177.33 3gb3 s ALA 161 N -0.94 -1.15 -0.32 4.21 0.00 -0.77 -0.69 121.76 122.10 3gb3 s ALA 161 Ca 0.16 0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.30 3gb3 s ALA 161 Cb -0.11 0.65 0.06 0.00 0.00 0.00 0.00 23.12 23.72 3gb3 s ALA 161 CO 0.06 -0.63 0.04 -0.06 0.00 0.00 0.00 175.76 175.16 3gb3 s PHE 162 N -3.44 3.30 -0.30 0.00 0.08 -1.26 -1.36 117.98 115.00 3gb3 s PHE 162 Ca 0.00 -1.88 -0.07 0.00 0.12 0.00 0.00 56.93 55.11 3gb3 s PHE 162 Cb 0.01 -2.26 0.01 0.00 -0.57 0.00 0.00 43.02 40.21 3gb3 s PHE 162 CO -0.10 -0.81 0.08 0.42 -0.10 0.00 0.00 175.22 174.71 3gb3 s ILE 163 N 1.26 3.91 0.10 0.64 1.01 -0.16 -4.86 121.20 123.10 3gb3 s ILE 163 Ca -0.03 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.82 3gb3 s ILE 163 Cb -0.20 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 3gb3 s ILE 163 CO -0.01 0.05 0.31 -0.83 0.00 0.00 0.00 174.94 174.46 3gb3 s GLY 164 N 1.48 2.23 -0.06 6.18 0.00 -1.26 0.95 107.32 116.84 3gb3 s GLY 164 Ca 0.02 -0.64 0.01 0.00 0.00 0.00 0.00 44.72 44.10 3gb3 s GLY 164 CO 0.02 -0.57 -0.04 -1.36 0.00 0.00 0.00 173.10 171.15 3gb3 s PHE 165 N -1.57 0.83 0.27 1.90 0.08 0.06 -0.45 117.98 119.10 3gb3 s PHE 165 Ca 0.37 -0.26 -0.29 0.00 0.12 0.00 0.00 56.93 56.87 3gb3 s PHE 165 Cb -0.13 -0.76 -0.09 0.00 -0.57 0.00 0.00 43.02 41.47 3gb3 s PHE 165 CO 0.24 -0.25 1.11 0.99 -0.10 0.00 0.00 175.22 177.21 3gb3 s THR 166 N 1.16 3.51 0.49 0.64 2.01 -0.96 -0.73 115.64 121.75 3gb3 s THR 166 Ca -0.07 1.49 0.04 0.00 0.31 0.00 0.00 61.69 63.46 3gb3 s THR 166 Cb -0.14 -3.95 0.02 0.00 0.01 0.00 0.00 72.50 68.44 3gb3 s THR 166 CO -0.01 0.34 0.68 0.42 -0.69 0.00 0.00 174.62 175.36 3gb3 s THR 167 N -1.04 2.87 0.38 -0.82 -4.23 -0.10 -0.06 115.64 112.63 3gb3 s THR 167 Ca 0.45 -0.82 0.09 0.00 -1.18 0.00 0.00 61.69 60.23 3gb3 s THR 167 Cb -0.32 -3.02 0.15 0.00 1.34 0.00 0.00 72.50 70.66 3gb3 s THR 167 CO 0.40 -0.01 1.90 0.00 -0.54 0.00 0.00 174.62 176.37 3gb3 h ALA 168 N 0.35 1.47 -0.06 3.99 0.00 -1.22 -1.68 119.26 122.12 3gb3 h ALA 168 Ca -0.41 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3gb3 h ALA 168 Cb 1.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3gb3 h ALA 168 CO 0.49 0.37 0.00 -0.40 0.00 0.00 0.00 179.25 179.71 3gb3 n ASP 169 N -4.26 0.69 0.00 0.00 5.68 -1.26 -4.89 116.55 112.51 3gb3 n ASP 169 Ca -0.01 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.81 3gb3 n ASP 169 Cb 0.28 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 3gb3 n ASP 169 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gb3 n GLY 170 N 0.96 0.64 0.00 6.12 0.00 -0.63 -5.08 105.19 107.21 3gb3 n GLY 170 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3gb3 n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gb3 n GLY 171 N -2.03 -0.97 2.88 -0.02 0.00 -1.26 -4.79 105.19 99.01 3gb3 n GLY 171 Ca 0.00 -1.69 -0.18 0.00 0.00 0.00 0.00 46.02 44.15 3gb3 n GLY 171 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gb3 s LEU 172 N 0.00 1.43 -0.20 0.99 0.20 -1.26 -0.92 118.68 118.92 3gb3 s LEU 172 Ca 0.00 -0.08 -0.04 0.00 0.69 0.00 0.00 54.13 54.69 3gb3 s LEU 172 Cb 0.00 -0.33 -0.02 0.00 -0.43 0.00 0.00 46.19 45.42 3gb3 s LEU 172 CO 0.00 -0.04 -0.03 -0.32 -0.29 0.00 0.00 176.35 175.67 3gb3 s MET 173 N 0.70 3.51 -0.21 1.98 -2.45 0.09 -4.94 119.30 117.97 3gb3 s MET 173 Ca -0.08 -0.58 -0.07 0.00 -1.25 0.00 0.00 55.69 53.72 3gb3 s MET 173 Cb -0.11 -3.00 -0.03 0.00 1.25 0.00 0.00 34.83 32.93 3gb3 s MET 173 CO -0.00 -0.04 0.04 1.41 1.05 0.00 0.00 175.02 177.48 3gb3 s MET 174 N 1.10 3.72 -0.09 4.11 1.75 -1.26 -0.76 119.30 127.86 3gb3 s MET 174 Ca 0.02 -0.46 -0.05 0.00 -1.25 0.00 0.00 55.69 53.95 3gb3 s MET 174 Cb -0.15 -3.21 -0.04 0.00 2.84 0.00 0.00 34.83 34.28 3gb3 s MET 174 CO 0.00 0.00 0.12 0.20 -0.65 0.00 0.00 175.02 174.69 3gb3 s GLY 175 N 1.08 2.10 -0.41 2.11 0.00 0.27 -1.51 107.32 110.95 3gb3 s GLY 175 Ca 0.03 -0.70 -0.15 0.00 0.00 0.00 0.00 44.72 43.91 3gb3 s GLY 175 CO 0.03 -0.47 0.30 0.30 0.00 0.00 0.00 173.10 173.26 3gb3 s HIS 176 N -1.05 3.24 -0.17 1.90 3.76 0.66 -0.99 115.29 122.64 3gb3 s HIS 176 Ca 0.17 -0.66 -0.08 0.00 -0.15 0.00 0.00 55.06 54.34 3gb3 s HIS 176 Cb -0.12 -2.64 -0.04 0.00 1.11 0.00 0.00 32.58 30.88 3gb3 s HIS 176 CO 0.06 -0.62 0.10 0.12 -0.85 0.00 0.00 174.74 173.55 3gb3 s PHE 177 N 1.67 3.38 -0.20 1.40 5.36 -0.47 -1.34 117.98 127.78 3gb3 s PHE 177 Ca 0.05 0.28 -0.04 0.00 -0.96 0.00 0.00 56.93 56.25 3gb3 s PHE 177 Cb -0.20 -2.06 0.10 0.00 -0.34 0.00 0.00 43.02 40.53 3gb3 s PHE 177 CO 0.09 0.35 0.30 0.34 -1.46 0.00 0.00 175.22 174.85 3gb3 s ASP 178 N -0.02 0.65 -0.06 6.13 -1.08 -0.08 -1.86 116.67 120.34 3gb3 s ASP 178 Ca 0.08 0.19 0.00 0.00 -0.52 0.00 0.00 52.55 52.30 3gb3 s ASP 178 Cb -0.12 0.78 0.02 0.00 -1.46 0.00 0.00 42.92 42.15 3gb3 s ASP 178 CO 0.00 -0.29 -0.03 -0.55 0.52 0.00 0.00 175.17 174.82 3gb3 s SER 179 N 2.45 1.36 -0.20 -0.34 0.15 -0.14 -1.12 113.70 115.85 3gb3 s SER 179 Ca 0.07 -0.14 -0.05 0.00 0.70 0.00 0.00 55.95 56.53 3gb3 s SER 179 Cb -0.15 -0.51 -0.03 0.00 -1.71 0.00 0.00 66.02 63.63 3gb3 s SER 179 CO -0.13 -0.11 0.01 -0.75 1.20 0.00 0.00 173.24 173.47 3gb3 s LYS 180 N 1.39 3.68 -0.23 5.44 2.20 -0.02 -0.35 119.74 131.84 3gb3 s LYS 180 Ca -0.03 -0.49 -0.06 0.00 -0.36 0.00 0.00 55.97 55.02 3gb3 s LYS 180 Cb -0.13 -3.11 -0.02 0.00 -1.51 0.00 0.00 37.83 33.05 3gb3 s LYS 180 CO -0.03 0.04 0.04 -1.64 -0.36 0.00 0.00 175.35 173.40 3gb3 s MET 181 N 0.93 3.61 -0.06 4.03 -1.94 0.58 -1.79 119.30 124.67 3gb3 s MET 181 Ca 0.02 -0.51 0.06 0.00 -1.71 0.00 0.00 55.69 53.55 3gb3 s MET 181 Cb -0.14 -3.21 -0.01 0.00 2.01 0.00 0.00 34.83 33.47 3gb3 s MET 181 CO 0.02 -0.13 -0.25 0.99 -0.01 0.00 0.00 175.02 175.64 3gb3 s THR 182 N 1.42 2.06 0.13 2.05 2.01 -0.26 -1.06 115.64 121.99 3gb3 s THR 182 Ca 0.05 -1.06 -0.30 0.00 0.31 0.00 0.00 61.69 60.69 3gb3 s THR 182 Cb -0.15 -1.74 -0.07 0.00 0.01 0.00 0.00 72.50 70.55 3gb3 s THR 182 CO 0.02 0.57 1.19 0.12 -0.69 0.00 0.00 174.62 175.83 3gb3 s PHE 183 N -0.15 3.45 -0.33 4.92 5.36 0.79 -1.70 117.98 130.33 3gb3 s PHE 183 Ca -0.04 1.38 0.02 0.00 -0.96 0.00 0.00 56.93 57.33 3gb3 s PHE 183 Cb -0.14 -3.41 0.42 0.00 -0.34 0.00 0.00 43.02 39.56 3gb3 s PHE 183 CO 0.04 -1.17 1.70 0.09 -1.46 0.00 0.00 175.22 174.41 3gb3 n ASN 184 N 3.16 4.16 -3.90 6.13 3.02 -0.16 -4.91 115.26 122.75 3gb3 n ASN 184 Ca 0.06 -3.13 -0.18 0.00 -0.03 0.00 0.00 54.58 51.30 3gb3 n ASN 184 Cb 0.46 -0.79 -0.09 0.00 -0.61 0.00 0.00 39.78 38.75 3gb3 n ASN 184 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3gb3 s GLY 185 N -0.56 2.06 0.02 7.41 0.00 -1.26 -4.80 107.32 110.19 3gb3 s GLY 185 Ca 0.39 -1.79 0.20 0.00 0.00 0.00 0.00 44.72 43.53 3gb3 s GLY 185 CO 0.06 -1.55 0.63 -1.14 0.00 0.00 0.00 173.10 171.10 3gb3 n SER 186 N -0.98 0.41 -4.75 1.64 3.41 -1.26 -4.98 113.62 107.10 3gb3 n SER 186 Ca 0.02 0.17 -0.30 0.00 -0.26 0.00 0.00 58.87 58.50 3gb3 n SER 186 Cb 0.64 1.04 0.12 0.00 -0.26 0.00 0.00 64.21 65.75 3gb3 n SER 186 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gb3 s ARG 187 N -3.18 1.61 -0.23 4.33 1.70 -1.26 -4.98 118.95 116.94 3gb3 s ARG 187 Ca -0.05 0.78 -0.29 0.00 -0.47 0.00 0.00 55.73 55.70 3gb3 s ARG 187 Cb 0.10 -1.85 -0.00 0.00 -0.57 0.00 0.00 34.95 32.63 3gb3 s ARG 187 CO 0.85 -1.99 1.20 0.00 -1.08 0.00 0.00 175.30 174.27 3gb3 s ALA 188 N -3.01 3.58 -0.03 7.88 0.00 -1.26 -5.01 121.76 123.91 3gb3 s ALA 188 Ca 0.62 0.24 -0.02 0.00 0.00 0.00 0.00 51.96 52.81 3gb3 s ALA 188 Cb -0.17 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 3gb3 s ALA 188 CO 0.56 -1.33 0.10 -1.50 0.00 0.00 0.00 175.76 173.59 3gb3 s ILE 189 N 3.65 4.91 -0.02 0.00 2.07 -1.26 -5.05 121.20 125.50 3gb3 s ILE 189 Ca 0.51 -0.27 -0.30 0.00 -1.41 0.00 0.00 60.65 59.18 3gb3 s ILE 189 Cb -0.18 -3.23 -0.04 0.00 0.13 0.00 0.00 42.46 39.15 3gb3 s ILE 189 CO 0.15 0.40 1.16 -0.70 -1.91 0.00 0.00 174.94 174.03 3gb3 s GLU 190 N -1.61 4.41 -0.22 3.50 2.56 -1.26 -4.92 118.70 121.16 3gb3 s GLU 190 Ca 0.22 1.64 -0.07 0.00 0.00 0.00 0.00 54.97 56.76 3gb3 s GLU 190 Cb -0.12 -3.48 -0.03 0.00 2.00 0.00 0.00 34.13 32.49 3gb3 s GLU 190 CO 0.12 -0.33 0.07 0.42 -0.56 0.00 0.00 175.26 174.98 3gb3 s ILE 191 N 1.71 4.51 0.66 -3.70 1.01 -1.26 -4.78 121.20 119.35 3gb3 s ILE 191 Ca 0.56 -0.12 -0.16 0.00 0.00 0.00 0.00 60.65 60.93 3gb3 s ILE 191 Cb -0.25 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.15 3gb3 s ILE 191 CO 0.24 0.38 1.15 -2.16 0.00 0.00 0.00 174.94 174.56 3gb3 s PRO 192 N 1.17 2.65 0.91 2.79 0.04 -1.26 -5.02 135.00 136.28 3gb3 s PRO 192 Ca 0.04 1.58 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 3gb3 s PRO 192 Cb -0.14 -1.91 0.14 0.00 0.04 0.00 0.00 34.50 32.62 3gb3 s PRO 192 CO 0.03 -1.40 1.10 0.20 0.04 0.00 0.00 177.00 176.97 3gb3 s GLY 193 N -2.22 1.60 0.25 0.56 0.00 -1.26 -3.98 107.32 102.28 3gb3 s GLY 193 Ca 0.71 -0.19 -0.30 0.00 0.00 0.00 0.00 44.72 44.93 3gb3 s GLY 193 CO 0.40 0.33 1.28 -1.05 0.00 0.00 0.00 173.10 174.06 3gb3 n PRO 194 N -3.90 1.79 -0.45 2.90 -0.02 -1.26 -4.75 135.00 129.32 3gb3 n PRO 194 Ca 0.06 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3gb3 n PRO 194 Cb 0.56 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3gb3 n PRO 194 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3gb3 n HIS 195 N 1.32 -0.36 -4.09 6.00 1.44 -0.42 -4.88 115.22 114.23 3gb3 n HIS 195 Ca 0.11 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.69 3gb3 n HIS 195 Cb 0.31 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.31 3gb3 n HIS 195 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3gb3 s PHE 196 N -4.98 0.75 -0.20 -1.40 0.08 -0.62 -0.42 117.98 111.20 3gb3 s PHE 196 Ca 0.00 -0.58 -0.01 0.00 0.12 0.00 0.00 56.93 56.45 3gb3 s PHE 196 Cb 0.00 -0.44 0.06 0.00 -0.57 0.00 0.00 43.02 42.06 3gb3 s PHE 196 CO 0.00 -0.09 -0.00 0.08 -0.10 0.00 0.00 175.22 175.11 3gb3 s VAL 197 N -1.83 0.88 0.04 -0.44 1.01 -0.33 -1.11 120.40 118.62 3gb3 s VAL 197 Ca -0.05 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 3gb3 s VAL 197 Cb -0.07 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 3gb3 s VAL 197 CO -0.01 -0.11 1.13 -0.89 0.00 0.00 0.00 175.10 175.23 3gb3 s THR 198 N 1.70 4.29 -0.13 3.92 2.01 -0.13 -1.38 115.64 125.93 3gb3 s THR 198 Ca -0.02 1.64 -0.00 0.00 0.31 0.00 0.00 61.69 63.62 3gb3 s THR 198 Cb -0.17 -4.05 0.02 0.00 0.01 0.00 0.00 72.50 68.31 3gb3 s THR 198 CO -0.07 0.12 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.25 3gb3 s ILE 199 N 1.09 1.23 -0.12 1.82 1.01 -0.34 -1.98 121.20 123.92 3gb3 s ILE 199 Ca 0.57 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.83 3gb3 s ILE 199 Cb -0.27 -1.21 0.01 0.00 0.01 0.00 0.00 42.46 41.00 3gb3 s ILE 199 CO 0.28 0.40 -0.22 -0.63 0.00 0.00 0.00 174.94 174.78 3gb3 s ILE 200 N 1.61 1.97 -0.00 2.92 1.01 0.33 -1.98 121.20 127.05 3gb3 s ILE 200 Ca 0.05 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.78 3gb3 s ILE 200 Cb -0.13 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 3gb3 s ILE 200 CO -0.09 0.54 -0.09 -0.89 0.00 0.00 0.00 174.94 174.41 3gb3 s THR 201 N 0.67 0.70 -0.08 2.92 2.01 -1.26 -1.04 115.64 119.57 3gb3 s THR 201 Ca -0.11 -0.41 -0.03 0.00 0.31 0.00 0.00 61.69 61.45 3gb3 s THR 201 Cb -0.16 -0.59 0.04 0.00 0.01 0.00 0.00 72.50 71.80 3gb3 s THR 201 CO 0.02 0.18 0.17 -0.75 -0.69 0.00 0.00 174.62 173.55 3gb3 s LYS 202 N -0.26 0.09 -0.06 4.92 2.47 -0.71 -4.62 119.74 121.57 3gb3 s LYS 202 Ca 0.03 0.45 -0.05 0.00 -1.56 0.00 0.00 55.97 54.84 3gb3 s LYS 202 Cb -0.04 -0.19 -0.04 0.00 -1.46 0.00 0.00 37.83 36.11 3gb3 s LYS 202 CO -0.00 -0.20 0.17 -0.65 0.16 0.00 0.00 175.35 174.83 3gb3 s GLN 203 N 1.50 3.46 0.12 4.03 -0.21 -1.26 -1.45 119.66 125.85 3gb3 s GLN 203 Ca -0.06 -0.19 -0.04 0.00 0.02 0.00 0.00 55.36 55.09 3gb3 s GLN 203 Cb -0.12 -3.15 -0.03 0.00 1.00 0.00 0.00 33.01 30.72 3gb3 s GLN 203 CO -0.06 0.73 0.12 0.00 -2.12 0.00 0.00 175.29 173.95 3gb3 s MET 204 N -1.45 0.92 -0.01 2.91 0.23 0.82 -4.99 119.30 117.73 3gb3 s MET 204 Ca 0.21 -1.26 -0.16 0.00 -1.03 0.00 0.00 55.69 53.45 3gb3 s MET 204 Cb -0.12 0.29 -0.06 0.00 -1.53 0.00 0.00 34.83 33.41 3gb3 s MET 204 CO 0.11 -0.28 0.43 1.03 -2.03 0.00 0.00 175.02 174.28 3gb3 s ARG 205 N -3.98 4.02 -0.12 3.16 1.81 -1.26 0.17 118.95 122.75 3gb3 s ARG 205 Ca 0.16 0.45 -0.23 0.00 -1.72 0.00 0.00 55.73 54.39 3gb3 s ARG 205 Cb 0.06 -3.26 -0.03 0.00 -0.45 0.00 0.00 34.95 31.27 3gb3 s ARG 205 CO -0.03 0.60 0.71 0.34 -0.68 0.00 0.00 175.30 176.24 3gb3 s ASP 206 N -0.80 6.90 0.42 0.23 2.15 -1.26 -4.93 116.67 119.39 3gb3 s ASP 206 Ca 0.24 1.10 0.15 0.00 0.43 0.00 0.00 52.55 54.47 3gb3 s ASP 206 Cb -0.17 -2.41 0.93 0.00 -0.30 0.00 0.00 42.92 40.98 3gb3 s ASP 206 CO 0.13 -0.22 1.94 0.71 -0.17 0.00 0.00 175.17 177.56 3gb3 h THR 207 N 4.97 1.14 -0.01 1.71 1.35 -2.02 -3.14 112.91 116.90 3gb3 h THR 207 Ca -0.36 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 3gb3 h THR 207 Cb 1.17 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 3gb3 h THR 207 CO 0.78 0.24 -0.32 -1.54 -0.25 0.00 0.00 175.52 174.44 3gb3 n SER 208 N -4.18 1.22 -4.52 5.36 3.41 -1.26 -4.70 113.62 108.96 3gb3 n SER 208 Ca -0.02 -1.01 -0.41 0.00 -0.26 0.00 0.00 58.87 57.17 3gb3 n SER 208 Cb 0.31 0.22 -0.10 0.00 -0.26 0.00 0.00 64.21 64.38 3gb3 n SER 208 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gb3 s ASP 209 N -2.51 6.13 0.00 4.04 -1.08 -1.19 -4.96 116.67 117.10 3gb3 s ASP 209 Ca 0.23 -0.48 0.29 0.00 -0.52 0.00 0.00 52.55 52.07 3gb3 s ASP 209 Cb 0.19 -2.17 1.30 0.00 -1.46 0.00 0.00 42.92 40.78 3gb3 s ASP 209 CO 0.54 -0.35 1.93 0.29 0.52 0.00 0.00 175.17 178.09 3gb3 n LYS 210 N 5.27 0.33 -2.04 4.34 4.01 -1.26 -4.85 118.16 123.95 3gb3 n LYS 210 Ca -0.10 -0.05 -0.29 0.00 -0.51 0.00 0.00 58.31 57.36 3gb3 n LYS 210 Cb 0.49 -1.50 0.05 0.00 -0.51 0.00 0.00 35.03 33.56 3gb3 n LYS 210 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3gb3 s ARG 211 N -2.70 2.69 -0.32 1.97 0.52 -1.26 -4.97 118.95 114.87 3gb3 s ARG 211 Ca 0.23 0.23 -0.29 0.00 -0.52 0.00 0.00 55.73 55.38 3gb3 s ARG 211 Cb 0.20 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.58 3gb3 s ARG 211 CO 0.50 -1.05 1.34 0.34 0.02 0.00 0.00 175.30 176.46 3gb3 s ASP 212 N -4.39 6.58 0.21 0.23 2.15 -1.26 -4.95 116.67 115.23 3gb3 s ASP 212 Ca 0.58 1.13 -0.12 0.00 0.43 0.00 0.00 52.55 54.57 3gb3 s ASP 212 Cb -0.11 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 39.97 3gb3 s ASP 212 CO 0.49 -1.17 0.40 -1.38 -0.17 0.00 0.00 175.17 173.34 3gb3 s HIS 213 N 4.66 0.35 0.09 -5.34 -3.43 -1.26 -0.38 115.29 109.98 3gb3 s HIS 213 Ca 0.58 -0.70 0.06 0.00 -0.80 0.00 0.00 55.06 54.20 3gb3 s HIS 213 Cb -0.16 0.09 -0.03 0.00 -1.43 0.00 0.00 32.58 31.05 3gb3 s HIS 213 CO 0.26 -0.87 -0.16 0.14 -2.00 0.00 0.00 174.74 172.11 3gb3 s VAL 214 N -3.99 1.31 -0.19 -5.38 -7.23 -0.63 -4.83 120.40 99.46 3gb3 s VAL 214 Ca 0.20 -1.45 -0.09 0.00 -1.81 0.00 0.00 61.98 58.83 3gb3 s VAL 214 Cb 0.01 -1.28 -0.05 0.00 0.56 0.00 0.00 36.38 35.62 3gb3 s VAL 214 CO 0.05 -0.22 0.12 0.00 -0.31 0.00 0.00 175.10 174.73 3gb3 s GLN 216 N 0.19 1.32 -0.10 0.00 0.74 0.00 -0.13 119.66 121.68 3gb3 s GLN 216 Ca 0.08 -0.29 -0.04 0.00 0.05 0.00 0.00 55.36 55.17 3gb3 s GLN 216 Cb -0.11 -1.15 -0.04 0.00 1.10 0.00 0.00 33.01 32.81 3gb3 s GLN 216 CO -0.01 -0.01 0.05 0.50 -0.55 0.00 0.00 175.29 175.27 3gb3 s ARG 217 N 0.72 3.14 -0.04 1.67 3.52 -0.53 -0.89 118.95 126.54 3gb3 s ARG 217 Ca -0.13 -0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.17 3gb3 s ARG 217 Cb -0.15 -2.93 0.02 0.00 -1.56 0.00 0.00 34.95 30.34 3gb3 s ARG 217 CO 0.02 0.73 -0.03 -2.00 -0.81 0.00 0.00 175.30 173.21 3gb3 s GLU 218 N -0.93 0.70 -0.24 5.12 2.12 0.04 -1.74 118.70 123.76 3gb3 s GLU 218 Ca 0.14 -0.06 -0.08 0.00 0.36 0.00 0.00 54.97 55.33 3gb3 s GLU 218 Cb -0.12 -0.74 -0.03 0.00 0.26 0.00 0.00 34.13 33.50 3gb3 s GLU 218 CO 0.03 -0.09 0.08 0.08 -0.54 0.00 0.00 175.26 174.82 3gb3 s VAL 219 N 0.92 4.51 -0.04 3.70 1.01 -0.21 -1.40 120.40 128.90 3gb3 s VAL 219 Ca -0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 3gb3 s VAL 219 Cb -0.14 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 33.16 3gb3 s VAL 219 CO -0.00 0.34 0.02 0.00 0.00 0.00 0.00 175.10 175.46 3gb3 s ALA 220 N 1.46 0.35 -0.09 5.51 0.00 -0.17 -0.51 121.76 128.31 3gb3 s ALA 220 Ca 0.06 0.13 -0.08 0.00 0.00 0.00 0.00 51.96 52.07 3gb3 s ALA 220 Cb -0.15 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.53 3gb3 s ALA 220 CO 0.04 -0.24 0.23 1.52 0.00 0.00 0.00 175.76 177.31 3gb3 s TYR 221 N 1.45 -0.25 0.44 0.00 1.13 -0.84 -0.89 117.35 118.40 3gb3 s TYR 221 Ca -0.04 0.61 -0.21 0.00 -1.41 0.00 0.00 57.07 56.02 3gb3 s TYR 221 Cb -0.13 0.08 -0.10 0.00 -1.10 0.00 0.00 41.96 40.72 3gb3 s TYR 221 CO -0.03 -0.13 1.00 0.00 -2.51 0.00 0.00 175.55 173.89 3gb3 s ALA 222 N 0.18 2.99 0.10 9.51 0.00 -0.40 -0.96 121.76 133.18 3gb3 s ALA 222 Ca -0.00 0.54 -0.20 0.00 0.00 0.00 0.00 51.96 52.29 3gb3 s ALA 222 Cb -0.02 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 19.94 3gb3 s ALA 222 CO -0.00 -0.10 0.50 -3.38 0.00 0.00 0.00 175.76 172.77 3gb3 s HIS 223 N -1.98 -0.37 0.16 0.00 -3.43 -0.27 -4.47 115.29 104.93 3gb3 s HIS 223 Ca 0.63 0.23 0.08 0.00 -0.80 0.00 0.00 55.06 55.20 3gb3 s HIS 223 Cb -0.15 0.36 -0.04 0.00 -1.43 0.00 0.00 32.58 31.32 3gb3 s HIS 223 CO 0.19 -0.71 -0.18 -1.54 -2.00 0.00 0.00 174.74 170.50 3gb3 s SER 224 N -2.43 2.61 -0.32 7.38 1.04 -1.26 -1.58 113.70 119.14 3gb3 s SER 224 Ca -0.01 -0.85 -0.05 0.00 0.48 0.00 0.00 55.95 55.52 3gb3 s SER 224 Cb 0.00 -0.15 0.04 0.00 0.10 0.00 0.00 66.02 66.01 3gb3 s SER 224 CO -0.08 -0.04 0.07 -0.69 0.98 0.00 0.00 173.24 173.48 3gb3 s VAL 225 N -2.03 3.58 0.26 5.02 1.01 -1.26 -5.04 120.40 121.94 3gb3 s VAL 225 Ca 0.15 -1.13 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 3gb3 s VAL 225 Cb -0.06 -3.00 -0.10 0.00 0.00 0.00 0.00 36.38 33.22 3gb3 s VAL 225 CO 0.06 -0.11 1.41 -2.16 0.00 0.00 0.00 175.10 174.31 3gb3 s PRO 226 N 1.38 4.28 0.77 2.72 0.04 -1.26 -4.99 135.00 137.94 3gb3 s PRO 226 Ca -0.02 2.29 -0.11 0.00 0.04 0.00 0.00 61.00 63.20 3gb3 s PRO 226 Cb -0.19 -3.10 0.06 0.00 0.04 0.00 0.00 34.50 31.30 3gb3 s PRO 226 CO 0.02 -0.38 1.10 1.03 0.04 0.00 0.00 177.00 178.80 3gb3 s ARG 227 N -0.66 2.25 0.12 4.56 0.52 -1.26 -5.06 118.95 119.42 3gb3 s ARG 227 Ca 0.57 1.21 -0.03 0.00 -0.52 0.00 0.00 55.73 56.96 3gb3 s ARG 227 Cb -0.41 -1.89 -0.05 0.00 0.52 0.00 0.00 34.95 33.11 3gb3 s ARG 227 CO 0.45 -1.66 0.33 0.96 0.02 0.00 0.00 175.30 175.41 3gb3 s ILE 228 N -2.83 5.22 -0.19 1.52 -4.36 -1.26 -5.05 121.20 114.26 3gb3 s ILE 228 Ca 0.62 -0.08 -0.16 0.00 -0.26 0.00 0.00 60.65 60.76 3gb3 s ILE 228 Cb -0.18 -3.63 -0.12 0.00 1.25 0.00 0.00 42.46 39.78 3gb3 s ILE 228 CO 0.55 0.06 0.01 0.41 0.24 0.00 0.00 174.94 176.21 3gb3 n THR 229 N 0.13 1.49 -3.66 8.37 -1.04 -1.26 -4.93 114.28 113.38 3gb3 n THR 229 Ca -0.03 0.05 -0.37 0.00 -2.04 0.00 0.00 64.05 61.65 3gb3 n THR 229 Cb 0.52 -2.17 -0.06 0.00 -1.82 0.00 0.00 70.33 66.79 3gb3 n THR 229 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3gb3 s SER 230 N -6.45 6.61 -0.00 8.00 1.04 -1.26 -4.96 113.70 116.68 3gb3 s SER 230 Ca -0.24 0.73 0.04 0.00 0.48 0.00 0.00 55.95 56.96 3gb3 s SER 230 Cb 0.05 -2.17 0.12 0.00 0.10 0.00 0.00 66.02 64.12 3gb3 s SER 230 CO 0.44 0.34 1.10 0.00 0.98 0.00 0.00 173.24 176.10 3gb3 n ALA 231 N 2.01 2.48 0.05 5.32 0.00 -1.26 -4.27 120.51 124.85 3gb3 n ALA 231 Ca -0.16 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3gb3 n ALA 231 Cb 0.53 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3gb3 n ALA 231 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3gb3 n ILE 232 N -0.09 0.45 1.33 0.00 -6.64 -1.26 -5.29 119.36 107.86 3gb3 n ILE 232 Ca 0.05 0.15 0.11 0.00 -1.77 0.00 0.00 62.75 61.28 3gb3 n ILE 232 Cb 0.12 -1.17 0.63 0.00 -1.44 0.00 0.00 39.64 37.78 3gb3 n ILE 232 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39