#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gb3 s GLY 3 N 0.00 0.43 0.00 0.62 0.00 -1.26 -4.25 107.32 102.85 3gb3 s GLY 3 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.65 3gb3 s GLY 3 CO 0.00 1.13 0.00 0.61 0.00 0.00 0.00 173.10 174.84 3gb3 n GLY 4 N 5.09 3.23 0.40 0.20 0.00 -0.34 -3.33 105.19 110.45 3gb3 n GLY 4 Ca -0.08 -0.15 0.22 0.00 0.00 0.00 0.00 46.02 46.01 3gb3 n GLY 4 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gb3 h PRO 5 N 0.00 0.00 -0.87 1.61 0.11 -1.91 0.32 132.00 131.26 3gb3 h PRO 5 Ca 0.00 0.00 0.23 0.00 0.11 0.00 0.00 66.00 66.34 3gb3 h PRO 5 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 30.96 3gb3 h PRO 5 CO 0.00 0.00 0.14 0.00 -0.21 0.00 0.00 178.00 177.93 3gb3 h ALA 6 N 1.63 1.13 0.00 -0.75 0.00 -1.94 0.21 119.26 119.55 3gb3 h ALA 6 Ca 0.26 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3gb3 h ALA 6 Cb 1.15 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3gb3 h ALA 6 CO -0.00 -0.48 0.00 1.28 0.00 0.00 0.00 179.25 180.05 3gb3 n LEU 7 N -5.31 0.00 -0.17 0.00 4.77 0.11 -2.89 117.00 113.51 3gb3 n LEU 7 Ca 0.20 0.32 0.05 0.00 -0.03 0.00 0.00 56.01 56.55 3gb3 n LEU 7 Cb 0.65 -0.32 0.09 0.00 -2.33 0.00 0.00 43.42 41.51 3gb3 n LEU 7 CO 0.03 -0.14 0.56 0.49 -1.33 0.00 0.00 177.39 177.01 3gb3 n PHE 8 N -1.32 0.13 1.07 -1.77 3.72 0.71 -4.67 117.46 115.35 3gb3 n PHE 8 Ca 0.08 -0.73 0.12 0.00 -0.05 0.00 0.00 57.45 56.87 3gb3 n PHE 8 Cb 0.15 -0.11 0.59 0.00 -0.94 0.00 0.00 39.48 39.17 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 -0.77 0.25 -4.29 -1.08 1.13 -1.02 -4.82 117.38 106.78 3gb3 n GLN 9 Ca 0.09 0.06 -0.29 0.00 -1.94 0.00 0.00 57.00 54.93 3gb3 n GLN 9 Cb 0.48 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.28 3gb3 n GLN 9 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 3gb3 n SER 10 N -1.34 3.14 -4.76 1.08 3.41 -1.26 -4.84 113.62 109.04 3gb3 n SER 10 Ca 0.10 -3.01 -0.41 0.00 -0.26 0.00 0.00 58.87 55.29 3gb3 n SER 10 Cb 0.22 0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 3gb3 n SER 10 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3gb3 s ASP 11 N -3.75 6.98 0.26 4.04 1.11 -1.26 -3.92 116.67 120.13 3gb3 s ASP 11 Ca 0.08 2.49 0.01 0.00 0.18 0.00 0.00 52.55 55.32 3gb3 s ASP 11 Cb -0.01 -2.63 -0.05 0.00 1.07 0.00 0.00 42.92 41.30 3gb3 s ASP 11 CO 0.05 -0.39 0.12 -0.04 1.18 0.00 0.00 175.17 176.09 3gb3 s MET 12 N -1.40 1.44 0.38 8.23 -1.94 0.80 -4.96 119.30 121.86 3gb3 s MET 12 Ca 0.48 -1.79 0.03 0.00 -1.71 0.00 0.00 55.69 52.71 3gb3 s MET 12 Cb -0.36 -0.17 -0.04 0.00 2.01 0.00 0.00 34.83 36.27 3gb3 s MET 12 CO 0.46 -0.35 0.09 0.95 -0.01 0.00 0.00 175.02 176.17 3gb3 s THR 13 N -3.76 0.84 0.04 2.05 -4.23 -0.06 -0.55 115.64 109.97 3gb3 s THR 13 Ca 0.37 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.70 3gb3 s THR 13 Cb 0.07 -2.49 0.04 0.00 1.34 0.00 0.00 72.50 71.45 3gb3 s THR 13 CO 0.14 0.00 0.42 0.72 -0.54 0.00 0.00 174.62 175.36 3gb3 s PHE 14 N -3.23 -0.28 -0.01 3.99 -0.71 -0.48 -1.79 117.98 115.48 3gb3 s PHE 14 Ca 0.27 0.24 0.01 0.00 -1.04 0.00 0.00 56.93 56.42 3gb3 s PHE 14 Cb 0.05 0.23 0.00 0.00 -1.21 0.00 0.00 43.02 42.09 3gb3 s PHE 14 CO 0.14 -0.58 -0.05 0.21 -1.34 0.00 0.00 175.22 173.61 3gb3 s LYS 15 N -2.48 0.44 -0.04 1.99 2.47 -0.84 -1.86 119.74 119.42 3gb3 s LYS 15 Ca -0.05 -0.15 0.03 0.00 -1.56 0.00 0.00 55.97 54.23 3gb3 s LYS 15 Cb -0.01 -0.44 0.01 0.00 -1.46 0.00 0.00 37.83 35.93 3gb3 s LYS 15 CO -0.02 0.07 -0.11 0.42 0.16 0.00 0.00 175.35 175.87 3gb3 s ILE 16 N 0.05 0.96 -0.15 5.43 1.01 -0.05 -0.14 121.20 128.31 3gb3 s ILE 16 Ca -0.00 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.24 3gb3 s ILE 16 Cb -0.04 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.59 3gb3 s ILE 16 CO -0.00 0.30 -0.21 -0.36 0.00 0.00 0.00 174.94 174.67 3gb3 s PHE 17 N 0.31 2.62 -0.22 3.97 0.40 0.34 -1.40 117.98 124.00 3gb3 s PHE 17 Ca -0.06 -1.37 -0.04 0.00 -0.60 0.00 0.00 56.93 54.85 3gb3 s PHE 17 Cb -0.11 -1.80 -0.01 0.00 0.51 0.00 0.00 43.02 41.61 3gb3 s PHE 17 CO 0.01 -0.65 -0.02 0.42 0.70 0.00 0.00 175.22 175.68 3gb3 s ILE 18 N 0.95 3.56 -0.32 0.64 1.01 0.17 -1.22 121.20 126.00 3gb3 s ILE 18 Ca -0.04 -0.43 -0.09 0.00 0.00 0.00 0.00 60.65 60.09 3gb3 s ILE 18 Cb -0.15 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.70 3gb3 s ILE 18 CO -0.05 0.41 0.14 -1.81 0.00 0.00 0.00 174.94 173.63 3gb3 s ASP 19 N 1.43 5.44 0.39 3.58 1.01 0.55 -1.48 116.67 127.58 3gb3 s ASP 19 Ca 0.05 -0.69 0.04 0.00 0.71 0.00 0.00 52.55 52.66 3gb3 s ASP 19 Cb -0.14 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 3gb3 s ASP 19 CO -0.02 -0.23 0.08 -0.83 0.21 0.00 0.00 175.17 174.38 3gb3 s GLY 20 N 1.56 2.43 -0.21 0.21 0.00 -0.66 -0.72 107.32 109.93 3gb3 s GLY 20 Ca 0.03 -1.52 -0.20 0.00 0.00 0.00 0.00 44.72 43.03 3gb3 s GLY 20 CO 0.05 -1.88 0.58 -1.83 0.00 0.00 0.00 173.10 170.03 3gb3 s GLU 21 N -3.81 0.69 -0.15 2.90 4.04 -0.92 -1.96 118.70 119.50 3gb3 s GLU 21 Ca 0.27 0.78 0.00 0.00 0.04 0.00 0.00 54.97 56.07 3gb3 s GLU 21 Cb 0.05 0.34 0.02 0.00 0.02 0.00 0.00 34.13 34.56 3gb3 s GLU 21 CO 0.14 -0.09 -0.14 0.54 -1.84 0.00 0.00 175.26 173.87 3gb3 s VAL 22 N 0.25 1.58 -1.45 1.83 0.11 -0.35 -0.13 120.40 122.23 3gb3 s VAL 22 Ca -0.00 -0.63 -0.12 0.00 -2.93 0.00 0.00 61.98 58.29 3gb3 s VAL 22 Cb -0.04 -1.48 0.08 0.00 -1.53 0.00 0.00 36.38 33.42 3gb3 s VAL 22 CO 0.01 0.46 0.72 0.59 -3.33 0.00 0.00 175.10 173.55 3gb3 n ASN 23 N 4.76 -4.31 0.00 3.54 4.13 -0.32 -1.27 115.26 121.79 3gb3 n ASN 23 Ca -0.17 -0.59 0.00 0.00 1.68 0.00 0.00 54.58 55.49 3gb3 n ASN 23 Cb 0.50 -3.50 0.00 0.00 -1.54 0.00 0.00 39.78 35.24 3gb3 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gb3 n GLY 24 N -1.42 3.19 3.62 7.41 0.00 -1.26 -5.00 105.19 111.72 3gb3 n GLY 24 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.46 3.89 0.33 1.61 -0.21 -0.39 -5.01 119.66 119.42 3gb3 s GLN 25 Ca 0.00 0.81 -0.28 0.00 0.02 0.00 0.00 55.36 55.92 3gb3 s GLN 25 Cb 0.00 -3.83 -0.09 0.00 1.00 0.00 0.00 33.01 30.09 3gb3 s GLN 25 CO 0.00 -1.16 1.15 0.15 -2.12 0.00 0.00 175.29 173.31 3gb3 s LYS 26 N 4.08 4.40 0.06 2.91 1.02 -1.26 -1.21 119.74 129.74 3gb3 s LYS 26 Ca 0.47 1.86 -0.08 0.00 0.02 0.00 0.00 55.97 58.24 3gb3 s LYS 26 Cb -0.10 -2.98 -0.00 0.00 -0.52 0.00 0.00 37.83 34.23 3gb3 s LYS 26 CO 0.24 -0.02 0.17 -0.59 -0.92 0.00 0.00 175.35 174.23 3gb3 s PHE 27 N -1.27 0.14 -0.03 3.18 -0.71 -0.83 -4.95 117.98 113.52 3gb3 s PHE 27 Ca 0.50 -0.48 0.02 0.00 -1.04 0.00 0.00 56.93 55.93 3gb3 s PHE 27 Cb -0.32 -0.07 0.00 0.00 -1.21 0.00 0.00 43.02 41.42 3gb3 s PHE 27 CO 0.41 -0.47 -0.09 0.99 -1.34 0.00 0.00 175.22 174.72 3gb3 s THR 28 N -3.24 0.80 -0.05 -4.49 2.01 -1.26 -1.65 115.64 107.75 3gb3 s THR 28 Ca 0.00 -0.36 0.04 0.00 0.31 0.00 0.00 61.69 61.68 3gb3 s THR 28 Cb 0.02 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.81 3gb3 s THR 28 CO -0.08 0.25 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.32 3gb3 s ILE 29 N 0.27 1.34 -0.03 1.82 1.01 -0.55 -0.26 121.20 124.79 3gb3 s ILE 29 Ca -0.04 -0.64 0.07 0.00 0.00 0.00 0.00 60.65 60.03 3gb3 s ILE 29 Cb -0.09 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 3gb3 s ILE 29 CO 0.01 0.39 -0.23 -0.69 0.00 0.00 0.00 174.94 174.42 3gb3 s VAL 30 N 0.22 1.82 0.04 2.92 1.01 -0.69 0.46 120.40 126.18 3gb3 s VAL 30 Ca -0.07 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 3gb3 s VAL 30 Cb -0.13 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3gb3 s VAL 30 CO 0.03 0.51 -0.01 0.00 0.00 0.00 0.00 175.10 175.64 3gb3 s ALA 31 N -0.45 0.24 0.13 5.51 0.00 -0.49 -0.80 121.76 125.91 3gb3 s ALA 31 Ca 0.06 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 3gb3 s ALA 31 Cb -0.10 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 3gb3 s ALA 31 CO -0.00 -0.27 0.24 0.16 0.00 0.00 0.00 175.76 175.89 3gb3 s ASP 32 N -2.17 0.08 0.00 0.00 -4.77 -0.68 -0.87 116.67 108.25 3gb3 s ASP 32 Ca -0.05 -0.78 0.00 0.00 -3.30 0.00 0.00 52.55 48.42 3gb3 s ASP 32 Cb -0.01 0.39 0.00 0.00 -1.09 0.00 0.00 42.92 42.21 3gb3 s ASP 32 CO -0.05 -0.82 0.00 0.61 0.70 0.00 0.00 175.17 175.60 3gb3 n GLY 33 N -0.15 1.46 3.09 2.12 0.00 -0.77 -0.95 105.19 109.98 3gb3 n GLY 33 Ca -0.11 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 3gb3 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gb3 s SER 34 N -0.02 0.53 -0.03 1.61 1.04 -1.25 -1.38 113.70 114.20 3gb3 s SER 34 Ca 0.00 -0.94 -0.01 0.00 0.48 0.00 0.00 55.95 55.48 3gb3 s SER 34 Cb 0.00 0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.33 3gb3 s SER 34 CO 0.00 -0.55 0.04 -0.55 0.98 0.00 0.00 173.24 173.16 3gb3 s SER 35 N -2.77 0.66 -0.12 7.02 0.15 0.28 -4.09 113.70 114.84 3gb3 s SER 35 Ca 0.05 0.05 -0.12 0.00 0.70 0.00 0.00 55.95 56.62 3gb3 s SER 35 Cb 0.06 -0.13 -0.05 0.00 -1.71 0.00 0.00 66.02 64.19 3gb3 s SER 35 CO -0.08 -0.19 0.27 -1.59 1.20 0.00 0.00 173.24 172.85 3gb3 s LYS 36 N 1.62 4.01 0.29 5.44 0.00 -1.26 -0.14 119.74 129.70 3gb3 s LYS 36 Ca -0.02 0.09 -0.29 0.00 0.00 0.00 0.00 55.97 55.75 3gb3 s LYS 36 Cb -0.13 -3.33 -0.13 0.00 0.00 0.00 0.00 37.83 34.24 3gb3 s LYS 36 CO -0.03 0.45 1.21 0.34 0.00 0.00 0.00 175.35 177.32 3gb3 n PHE 37 N 2.87 1.85 0.73 1.78 7.35 -1.25 0.26 117.46 131.06 3gb3 n PHE 37 Ca -0.14 0.59 0.03 0.00 -0.76 0.00 0.00 57.45 57.17 3gb3 n PHE 37 Cb 0.53 -2.36 0.12 0.00 0.35 0.00 0.00 39.48 38.12 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 0.95 1.96 0.00 -7.13 -0.04 -1.26 -4.96 135.00 124.52 3gb3 n PRO 38 Ca 0.08 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 3gb3 n PRO 38 Cb 0.33 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.19 -0.33 -0.82 0.54 8.25 0.14 -4.66 115.22 118.53 3gb3 n HIS 39 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3gb3 n HIS 39 Cb 0.41 0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.59 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 1.32 3.01 -1.41 0.00 0.43 -4.71 105.19 103.84 3gb3 n GLY 40 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.16 -0.46 0.11 1.61 3.68 -1.26 -1.48 116.67 115.72 3gb3 s ASP 41 Ca 0.00 0.23 -0.12 0.00 2.13 0.00 0.00 52.55 54.79 3gb3 s ASP 41 Cb 0.00 1.54 0.01 0.00 -1.45 0.00 0.00 42.92 43.03 3gb3 s ASP 41 CO 0.00 -0.30 0.29 0.72 0.13 0.00 0.00 175.17 176.01 3gb3 s PHE 42 N 2.67 0.01 0.09 -5.34 -0.71 -0.72 -4.78 117.98 109.21 3gb3 s PHE 42 Ca 0.14 -0.39 0.08 0.00 -1.04 0.00 0.00 56.93 55.71 3gb3 s PHE 42 Cb -0.14 0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.73 3gb3 s PHE 42 CO -0.23 -0.63 -0.20 -0.80 -1.34 0.00 0.00 175.22 172.03 3gb3 s ASN 43 N -2.84 2.40 0.01 1.98 -0.87 -1.26 -1.41 114.94 112.94 3gb3 s ASN 43 Ca 0.05 -0.66 0.03 0.00 -1.57 0.00 0.00 52.86 50.70 3gb3 s ASN 43 Cb 0.03 -0.13 -0.01 0.00 -0.02 0.00 0.00 41.25 41.12 3gb3 s ASN 43 CO -0.11 0.04 -0.09 0.54 -2.57 0.00 0.00 177.10 174.92 3gb3 s VAL 44 N -1.16 0.69 -0.25 1.60 0.11 0.52 -3.76 120.40 118.15 3gb3 s VAL 44 Ca 0.05 -0.55 -0.00 0.00 -2.93 0.00 0.00 61.98 58.54 3gb3 s VAL 44 Cb -0.10 -0.61 0.04 0.00 -1.53 0.00 0.00 36.38 34.17 3gb3 s VAL 44 CO 0.04 0.06 -0.08 -1.00 -3.33 0.00 0.00 175.10 170.79 3gb3 s HIS 45 N -0.47 3.10 0.08 1.54 3.76 -0.13 -1.01 115.29 122.16 3gb3 s HIS 45 Ca 0.01 -1.77 0.09 0.00 -0.15 0.00 0.00 55.06 53.24 3gb3 s HIS 45 Cb -0.05 -2.02 -0.03 0.00 1.11 0.00 0.00 32.58 31.58 3gb3 s HIS 45 CO 0.00 -0.78 -0.23 0.00 -0.85 0.00 0.00 174.74 172.87 3gb3 s ALA 46 N 1.26 2.43 -0.04 -1.40 0.00 0.02 -1.69 121.76 122.33 3gb3 s ALA 46 Ca -0.02 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.63 3gb3 s ALA 46 Cb -0.17 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.44 3gb3 s ALA 46 CO -0.05 0.55 -0.03 0.08 0.00 0.00 0.00 175.76 176.32 3gb3 s VAL 47 N -0.95 0.41 -0.61 0.00 1.01 0.02 -0.92 120.40 119.37 3gb3 s VAL 47 Ca 0.14 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.80 3gb3 s VAL 47 Cb -0.10 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 35.83 3gb3 s VAL 47 CO 0.05 0.20 1.26 0.00 0.00 0.00 0.00 175.10 176.61 3gb3 n GLU 49 N 8.68 0.10 -0.17 0.00 -0.58 0.64 -1.96 120.64 127.35 3gb3 n GLU 49 Ca 0.08 0.28 0.11 0.00 -0.42 0.00 0.00 57.16 57.22 3gb3 n GLU 49 Cb 0.49 -1.68 0.19 0.00 -0.57 0.00 0.00 31.44 29.88 3gb3 n GLU 49 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3gb3 n THR 50 N -1.87 0.47 0.00 2.62 -2.24 -1.25 -4.96 114.28 107.06 3gb3 n THR 50 Ca 0.04 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 3gb3 n THR 50 Cb 0.24 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 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 1.38 0.91 3.71 3.38 0.00 -0.83 -4.97 105.19 108.79 3gb3 n GLY 51 Ca 0.18 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 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 4.42 0.01 1.61 2.47 -1.26 -0.97 119.74 126.03 3gb3 s LYS 52 Ca 0.00 0.87 -0.30 0.00 -1.56 0.00 0.00 55.97 54.97 3gb3 s LYS 52 Cb 0.00 -3.46 -0.06 0.00 -1.46 0.00 0.00 37.83 32.85 3gb3 s LYS 52 CO 0.00 0.04 1.51 -1.17 0.16 0.00 0.00 175.35 175.89 3gb3 s LEU 53 N 0.88 4.33 -0.02 5.43 2.96 -1.26 -4.89 118.68 126.11 3gb3 s LEU 53 Ca 0.37 2.24 0.01 0.00 -0.22 0.00 0.00 54.13 56.53 3gb3 s LEU 53 Cb -0.18 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 43.04 3gb3 s LEU 53 CO 0.17 -0.80 0.65 -0.81 -1.32 0.00 0.00 176.35 174.24 3gb3 n PRO 54 N 5.69 1.37 -4.02 0.98 -0.04 -1.26 -4.74 135.00 132.99 3gb3 n PRO 54 Ca 0.15 -0.31 -0.09 0.00 -0.04 0.00 0.00 63.50 63.20 3gb3 n PRO 54 Cb 0.43 -1.55 -0.06 0.00 -0.04 0.00 0.00 33.50 32.28 3gb3 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gb3 s MET 55 N -1.21 1.53 0.22 0.54 0.23 -1.26 -4.90 119.30 114.45 3gb3 s MET 55 Ca 0.05 -1.29 -0.31 0.00 -1.03 0.00 0.00 55.69 53.12 3gb3 s MET 55 Cb 0.04 0.46 -0.15 0.00 -1.53 0.00 0.00 34.83 33.65 3gb3 s MET 55 CO 0.02 -0.63 1.18 0.45 -2.03 0.00 0.00 175.02 174.01 3gb3 n SER 56 N -0.38 1.67 0.21 -1.18 2.88 -0.24 -4.88 113.62 111.70 3gb3 n SER 56 Ca -0.01 1.15 0.15 0.00 -1.33 0.00 0.00 58.87 58.83 3gb3 n SER 56 Cb 0.62 -1.29 0.68 0.00 -0.75 0.00 0.00 64.21 63.47 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 3.15 0.00 -0.10 0.66 4.06 -1.93 -3.37 115.95 118.42 3gb3 h TRP 57 Ca -0.43 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.52 3gb3 h TRP 57 Cb 1.33 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.48 3gb3 h TRP 57 CO 0.53 0.00 0.05 0.87 -3.56 0.00 0.00 178.44 176.33 3gb3 h LYS 58 N 0.00 0.14 0.00 0.49 6.56 -1.91 -1.83 116.57 120.02 3gb3 h LYS 58 Ca 0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 3gb3 h LYS 58 Cb 0.28 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 3gb3 h LYS 58 CO 0.00 0.19 0.00 -2.30 -2.06 0.00 0.00 179.45 175.28 3gb3 n PRO 59 N -4.96 0.09 0.14 3.15 -0.02 -1.26 -0.62 135.00 131.52 3gb3 n PRO 59 Ca -0.05 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 61.98 3gb3 n PRO 59 Cb 0.08 -1.71 0.47 0.00 -0.02 0.00 0.00 33.50 32.32 3gb3 n PRO 59 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3gb3 h ILE 60 N 0.00 0.00 -0.90 4.25 1.08 -1.55 -3.37 117.51 117.02 3gb3 h ILE 60 Ca 0.00 -0.35 0.19 0.00 -0.39 0.00 0.00 64.86 64.31 3gb3 h ILE 60 Cb 0.19 1.20 -0.11 0.00 -3.07 0.00 0.00 36.82 35.03 3gb3 h ILE 60 CO 0.00 0.00 0.45 0.00 -0.69 0.00 0.00 178.15 177.91 3gb3 n HIS 62 N -4.93 0.22 0.08 0.00 1.44 -1.26 -3.23 115.22 107.54 3gb3 n HIS 62 Ca 0.21 0.06 -0.20 0.00 -2.01 0.00 0.00 57.72 55.79 3gb3 n HIS 62 Cb 0.57 -0.57 -0.15 0.00 0.12 0.00 0.00 29.99 29.97 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 0.00 0.51 -6.57 2.39 3.38 -1.06 -3.44 115.31 110.52 3gb3 h LEU 63 Ca 0.00 -0.70 -0.77 0.00 0.09 0.00 0.00 57.88 56.50 3gb3 h LEU 63 Cb 0.56 -0.17 -0.19 0.00 0.09 0.00 0.00 40.66 40.96 3gb3 h LEU 63 CO 0.00 1.58 1.70 2.30 0.09 0.00 0.00 178.44 184.11 3gb3 n ILE 64 N -3.53 4.61 0.00 1.22 -5.35 -1.07 -5.08 119.36 110.15 3gb3 n ILE 64 Ca -0.19 -4.80 0.00 0.00 -0.27 0.00 0.00 62.75 57.49 3gb3 n ILE 64 Cb 1.06 -2.28 0.00 0.00 -1.74 0.00 0.00 39.64 36.68 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 3.21 0.00 0.06 6.28 -0.58 -1.26 -4.96 120.64 123.39 3gb3 n GLU 68 Ca 0.36 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 57.14 3gb3 n GLU 68 Cb 0.35 0.00 0.43 0.00 -0.57 0.00 0.00 31.44 31.65 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 0.40 0.00 3.49 0.13 -1.98 -1.33 132.00 132.70 3gb3 h PRO 69 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3gb3 h PRO 69 Cb 0.00 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.05 3gb3 h PRO 69 CO 0.00 0.34 0.00 1.97 -0.23 0.00 0.00 178.00 180.08 3gb3 n PHE 70 N -4.41 0.00 -0.04 1.56 -1.74 -1.26 -1.50 117.46 110.07 3gb3 n PHE 70 Ca 0.01 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 56.98 3gb3 n PHE 70 Cb 0.14 -0.24 0.19 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 -1.24 0.53 -2.43 2.97 3.72 -0.50 -4.76 117.46 115.75 3gb3 n PHE 71 Ca 0.05 -0.38 -0.35 0.00 -0.05 0.00 0.00 57.45 56.71 3gb3 n PHE 71 Cb 0.06 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.57 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 -1.09 2.90 -0.14 4.37 0.00 -0.57 -0.43 121.76 126.80 3gb3 s ALA 72 Ca 0.31 0.73 -0.26 0.00 0.00 0.00 0.00 51.96 52.74 3gb3 s ALA 72 Cb 0.17 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 3gb3 s ALA 72 CO 0.23 -0.45 0.86 0.50 0.00 0.00 0.00 175.76 176.90 3gb3 s ARG 73 N -2.99 4.34 -0.00 0.00 3.52 -0.47 -4.57 118.95 118.78 3gb3 s ARG 73 Ca 0.66 1.10 0.03 0.00 -0.13 0.00 0.00 55.73 57.38 3gb3 s ARG 73 Cb -0.21 -3.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.59 3gb3 s ARG 73 CO 0.26 -0.29 -0.05 0.71 -0.81 0.00 0.00 175.30 175.12 3gb3 s TYR 74 N 2.00 2.94 0.83 5.12 1.51 -1.26 -0.99 117.35 127.49 3gb3 s TYR 74 Ca 0.41 -0.00 -0.10 0.00 -1.01 0.00 0.00 57.07 56.36 3gb3 s TYR 74 Cb -0.17 -1.63 0.09 0.00 -0.11 0.00 0.00 41.96 40.14 3gb3 s TYR 74 CO 0.14 0.39 1.11 -2.14 -1.11 0.00 0.00 175.55 173.94 3gb3 s PRO 75 N -1.40 1.80 0.57 -1.71 0.02 -1.26 -4.94 135.00 128.08 3gb3 s PRO 75 Ca 0.17 1.27 0.27 0.00 0.02 0.00 0.00 61.00 62.73 3gb3 s PRO 75 Cb -0.11 -1.84 1.64 0.00 0.02 0.00 0.00 34.50 34.21 3gb3 s PRO 75 CO 0.08 -2.00 2.16 -0.44 -0.33 0.00 0.00 177.00 176.47 3gb3 h ASP 76 N -1.39 0.00 0.47 2.53 5.19 -1.99 -3.00 116.42 118.23 3gb3 h ASP 76 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 3gb3 h ASP 76 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 3gb3 h ASP 76 CO 0.48 0.00 -0.12 0.61 -3.12 0.00 0.00 179.24 177.09 3gb3 n GLY 77 N -1.41 -1.07 3.10 2.75 0.00 -1.26 -4.79 105.19 102.51 3gb3 n GLY 77 Ca -0.01 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.60 1.63 0.18 -0.61 1.01 -1.14 -5.06 121.20 114.61 3gb3 s ILE 78 Ca 0.25 -0.74 -0.31 0.00 0.00 0.00 0.00 60.65 59.85 3gb3 s ILE 78 Cb 0.20 -1.46 -0.10 0.00 0.01 0.00 0.00 42.46 41.11 3gb3 s ILE 78 CO 0.50 0.47 1.58 -0.55 0.00 0.00 0.00 174.94 176.94 3gb3 s SER 79 N 0.74 6.56 -1.09 3.58 0.15 -1.26 -4.71 113.70 117.68 3gb3 s SER 79 Ca -0.11 2.67 -0.15 0.00 0.70 0.00 0.00 55.95 59.05 3gb3 s SER 79 Cb -0.16 -2.60 0.16 0.00 -1.71 0.00 0.00 66.02 61.71 3gb3 s SER 79 CO 0.02 -0.84 1.29 -2.28 1.20 0.00 0.00 173.24 172.63 3gb3 s HIS 80 N 1.00 3.39 0.19 3.44 2.46 -1.26 -4.64 115.29 119.87 3gb3 s HIS 80 Ca 0.69 -1.87 -0.14 0.00 0.47 0.00 0.00 55.06 54.22 3gb3 s HIS 80 Cb -0.45 -4.27 0.19 0.00 -0.13 0.00 0.00 32.58 27.93 3gb3 s HIS 80 CO 0.33 -1.40 1.66 0.35 -2.47 0.00 0.00 174.74 173.21 3gb3 h PHE 81 N 7.80 -0.16 -0.63 3.88 3.57 -1.91 -0.19 116.94 129.30 3gb3 h PHE 81 Ca 0.24 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.85 3gb3 h PHE 81 Cb 0.94 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.77 3gb3 h PHE 81 CO 1.11 -0.18 0.32 0.00 -2.23 0.00 0.00 178.31 177.33 3gb3 h ALA 82 N 1.50 0.83 -0.40 2.41 0.00 -1.90 -1.63 119.26 120.07 3gb3 h ALA 82 Ca 0.26 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 3gb3 h ALA 82 Cb 0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3gb3 h ALA 82 CO -0.49 -0.03 -0.10 1.96 0.00 0.00 0.00 179.25 180.59 3gb3 h GLN 83 N 0.59 0.76 0.00 0.00 4.20 -1.68 -3.22 115.11 115.77 3gb3 h GLN 83 Ca 0.29 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gb3 h GLN 83 Cb 0.23 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3gb3 h GLN 83 CO -0.21 0.90 0.00 0.93 -0.67 0.00 0.00 178.83 179.78 3gb3 h GLU 84 N 0.57 0.00 0.00 1.46 4.39 -0.30 -2.83 114.58 117.87 3gb3 h GLU 84 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3gb3 h GLU 84 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3gb3 h GLU 84 CO 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.89 3gb3 s PHE 86 N -3.25 3.52 -0.88 0.00 0.08 -1.07 -0.04 117.98 116.33 3gb3 s PHE 86 Ca 0.06 1.14 0.27 0.00 0.12 0.00 0.00 56.93 58.52 3gb3 s PHE 86 Cb 0.10 -2.45 0.92 0.00 -0.57 0.00 0.00 43.02 41.02 3gb3 s PHE 86 CO 0.44 0.28 1.75 -0.35 -0.10 0.00 0.00 175.22 177.25 3gb3 n PRO 87 N 0.28 0.11 0.23 0.24 -0.04 -1.26 -1.20 135.00 133.36 3gb3 n PRO 87 Ca -0.01 0.07 0.06 0.00 -0.04 0.00 0.00 63.50 63.58 3gb3 n PRO 87 Cb 0.52 -1.61 0.54 0.00 -0.04 0.00 0.00 33.50 32.91 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 0.00 0.00 0.54 3.07 -1.83 -3.43 114.58 112.93 3gb3 h GLU 88 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gb3 h GLU 88 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 3gb3 h GLU 88 CO 0.00 0.14 0.00 0.41 -1.40 0.00 0.00 179.01 178.16 3gb3 n GLY 89 N -1.13 -3.48 3.14 -3.84 0.00 0.94 -4.77 105.19 96.04 3gb3 n GLY 89 Ca -0.03 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 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 1.85 0.20 0.99 2.34 -1.19 -1.72 118.68 121.15 3gb3 s LEU 90 Ca 0.00 -0.70 0.09 0.00 0.06 0.00 0.00 54.13 53.58 3gb3 s LEU 90 Cb 0.00 0.65 -0.04 0.00 -0.56 0.00 0.00 46.19 46.23 3gb3 s LEU 90 CO 0.00 -0.61 -0.11 -0.44 -1.06 0.00 0.00 176.35 174.13 3gb3 s SER 91 N -2.59 4.16 -0.05 1.48 0.01 -0.67 -1.13 113.70 114.91 3gb3 s SER 91 Ca 0.02 -0.64 0.02 0.00 1.31 0.00 0.00 55.95 56.66 3gb3 s SER 91 Cb 0.03 -0.66 0.02 0.00 0.21 0.00 0.00 66.02 65.62 3gb3 s SER 91 CO -0.08 0.09 -0.08 -0.63 0.41 0.00 0.00 173.24 172.95 3gb3 s ILE 92 N -1.80 0.78 -0.13 1.44 1.01 0.31 -0.53 121.20 122.27 3gb3 s ILE 92 Ca 0.25 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.64 3gb3 s ILE 92 Cb -0.08 -0.75 0.00 0.00 0.01 0.00 0.00 42.46 41.64 3gb3 s ILE 92 CO 0.15 0.27 -0.20 -1.81 0.00 0.00 0.00 174.94 173.35 3gb3 s ASP 93 N 0.70 3.29 -0.05 3.58 1.01 -0.70 0.12 116.67 124.62 3gb3 s ASP 93 Ca -0.12 -0.54 -0.04 0.00 0.71 0.00 0.00 52.55 52.56 3gb3 s ASP 93 Cb -0.14 -1.47 0.02 0.00 1.01 0.00 0.00 42.92 42.33 3gb3 s ASP 93 CO 0.02 0.11 0.13 -0.60 0.21 0.00 0.00 175.17 175.04 3gb3 s ARG 94 N 0.65 0.15 -0.02 8.23 3.52 -0.40 -0.55 118.95 130.52 3gb3 s ARG 94 Ca -0.10 0.20 0.06 0.00 -0.13 0.00 0.00 55.73 55.76 3gb3 s ARG 94 Cb -0.16 0.05 -0.01 0.00 -1.56 0.00 0.00 34.95 33.26 3gb3 s ARG 94 CO 0.02 -0.03 -0.20 0.95 -0.81 0.00 0.00 175.30 175.23 3gb3 s THR 95 N 0.19 1.58 -0.20 4.11 -4.23 -0.23 -0.79 115.64 116.08 3gb3 s THR 95 Ca -0.01 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 3gb3 s THR 95 Cb -0.02 -1.33 0.05 0.00 1.34 0.00 0.00 72.50 72.54 3gb3 s THR 95 CO -0.01 0.45 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.76 3gb3 s VAL 96 N -0.33 1.44 -0.31 2.29 1.01 0.01 -0.38 120.40 124.14 3gb3 s VAL 96 Ca 0.04 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 3gb3 s VAL 96 Cb -0.09 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3gb3 s VAL 96 CO 0.00 0.08 0.21 -0.60 0.00 0.00 0.00 175.10 174.80 3gb3 s ARG 97 N 1.47 3.70 -0.07 2.72 3.52 -0.52 -0.52 118.95 129.25 3gb3 s ARG 97 Ca -0.02 -0.50 -0.18 0.00 -0.13 0.00 0.00 55.73 54.90 3gb3 s ARG 97 Cb -0.17 -3.73 -0.05 0.00 -1.56 0.00 0.00 34.95 29.45 3gb3 s ARG 97 CO -0.08 -0.32 0.50 -0.06 -0.81 0.00 0.00 175.30 174.53 3gb3 s PHE 98 N 1.73 3.59 0.19 5.12 0.40 -0.39 -0.57 117.98 128.06 3gb3 s PHE 98 Ca 0.06 0.99 -0.31 0.00 -0.60 0.00 0.00 56.93 57.08 3gb3 s PHE 98 Cb -0.17 -2.52 -0.10 0.00 0.51 0.00 0.00 43.02 40.74 3gb3 s PHE 98 CO 0.10 0.30 1.51 -1.21 0.70 0.00 0.00 175.22 176.62 3gb3 s GLU 99 N 0.12 4.24 -1.23 0.44 2.02 -0.36 -1.75 118.70 122.19 3gb3 s GLU 99 Ca 0.27 2.32 0.00 0.00 0.02 0.00 0.00 54.97 57.58 3gb3 s GLU 99 Cb -0.16 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 30.92 3gb3 s GLU 99 CO 0.13 -0.53 0.00 0.09 0.02 0.00 0.00 175.26 174.97 3gb3 n ASN 100 N 3.34 -4.84 0.00 -0.19 5.03 -1.26 -4.74 115.26 112.61 3gb3 n ASN 100 Ca 0.11 0.29 0.00 0.00 0.87 0.00 0.00 54.58 55.85 3gb3 n ASN 100 Cb 0.39 -3.35 0.00 0.00 -1.02 0.00 0.00 39.78 35.80 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 -0.44 0.00 -4.58 6.41 -0.08 -0.72 -4.85 116.55 112.30 3gb3 n ASP 101 Ca -0.12 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.89 3gb3 n ASP 101 Cb 0.45 0.00 0.12 0.00 2.34 0.00 0.00 41.12 44.04 3gb3 n ASP 101 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 3gb3 s GLY 102 N 0.00 1.73 -0.07 0.27 0.00 -1.12 -4.56 107.32 103.56 3gb3 s GLY 102 Ca 0.00 -1.17 0.04 0.00 0.00 0.00 0.00 44.72 43.60 3gb3 s GLY 102 CO 0.00 -0.58 -0.22 -1.59 0.00 0.00 0.00 173.10 170.71 3gb3 s THR 103 N -3.50 1.82 -0.28 0.90 2.01 -0.40 -1.26 115.64 114.94 3gb3 s THR 103 Ca 0.67 -0.91 -0.12 0.00 0.31 0.00 0.00 61.69 61.64 3gb3 s THR 103 Cb -0.07 -1.57 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 3gb3 s THR 103 CO 0.48 0.51 0.24 -0.04 -0.69 0.00 0.00 174.62 175.12 3gb3 s MET 104 N 0.17 3.97 -0.20 4.92 -1.94 0.32 -1.61 119.30 124.94 3gb3 s MET 104 Ca -0.11 -0.21 -0.03 0.00 -1.71 0.00 0.00 55.69 53.63 3gb3 s MET 104 Cb -0.15 -3.66 -0.01 0.00 2.01 0.00 0.00 34.83 33.02 3gb3 s MET 104 CO 0.05 -0.20 -0.07 0.99 -0.01 0.00 0.00 175.02 175.78 3gb3 s THR 105 N 1.84 3.23 0.09 2.05 2.01 -0.14 -0.80 115.64 123.92 3gb3 s THR 105 Ca 0.09 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 61.61 3gb3 s THR 105 Cb -0.16 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 3gb3 s THR 105 CO 0.11 0.46 -0.19 -0.94 -0.69 0.00 0.00 174.62 173.36 3gb3 s SER 106 N 1.19 2.31 -0.11 3.53 1.04 0.03 -1.04 113.70 120.64 3gb3 s SER 106 Ca 0.02 -0.66 -0.01 0.00 0.48 0.00 0.00 55.95 55.79 3gb3 s SER 106 Cb -0.14 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 65.89 3gb3 s SER 106 CO -0.02 0.03 -0.06 -1.00 0.98 0.00 0.00 173.24 173.16 3gb3 s HIS 107 N -1.17 1.38 0.02 5.02 3.76 -0.48 -1.28 115.29 122.54 3gb3 s HIS 107 Ca 0.04 -0.69 0.09 0.00 -0.15 0.00 0.00 55.06 54.35 3gb3 s HIS 107 Cb -0.10 -1.18 -0.02 0.00 1.11 0.00 0.00 32.58 32.39 3gb3 s HIS 107 CO 0.04 -0.50 -0.26 -1.01 -0.85 0.00 0.00 174.74 172.16 3gb3 s HIS 108 N 1.74 2.29 -0.01 1.40 0.09 0.32 -1.87 115.29 119.25 3gb3 s HIS 108 Ca 0.05 -0.42 0.04 0.00 -0.00 0.00 0.00 55.06 54.73 3gb3 s HIS 108 Cb -0.13 -1.41 -0.01 0.00 -0.00 0.00 0.00 32.58 31.03 3gb3 s HIS 108 CO -0.08 0.06 -0.14 0.95 -0.00 0.00 0.00 174.74 175.53 3gb3 s THR 109 N -0.72 1.13 -0.03 1.30 -4.23 -0.49 -0.53 115.64 112.06 3gb3 s THR 109 Ca 0.11 -0.61 0.06 0.00 -1.18 0.00 0.00 61.69 60.07 3gb3 s THR 109 Cb -0.10 -0.94 -0.01 0.00 1.34 0.00 0.00 72.50 72.78 3gb3 s THR 109 CO 0.01 0.32 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.89 3gb3 s TYR 110 N -0.31 1.97 -0.00 3.99 2.02 -0.28 -1.98 117.35 122.75 3gb3 s TYR 110 Ca 0.05 -0.47 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 3gb3 s TYR 110 Cb -0.06 -1.29 0.00 0.00 -0.40 0.00 0.00 41.96 40.22 3gb3 s TYR 110 CO -0.00 -0.10 0.00 -2.00 -1.57 0.00 0.00 175.55 171.88 3gb3 s GLU 111 N -0.30 -0.00 -0.23 -0.62 2.12 -0.76 -3.15 118.70 115.76 3gb3 s GLU 111 Ca 0.03 0.02 -0.08 0.00 0.36 0.00 0.00 54.97 55.29 3gb3 s GLU 111 Cb -0.10 -0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.22 3gb3 s GLU 111 CO 0.01 -0.01 0.09 -1.17 -0.54 0.00 0.00 175.26 173.64 3gb3 s LEU 112 N 0.10 3.74 -0.34 2.70 2.96 -1.26 -0.53 118.68 126.05 3gb3 s LEU 112 Ca -0.01 -0.03 0.04 0.00 -0.22 0.00 0.00 54.13 53.91 3gb3 s LEU 112 Cb -0.01 -1.99 0.10 0.00 0.50 0.00 0.00 46.19 44.79 3gb3 s LEU 112 CO -0.00 0.06 0.05 -0.62 -1.32 0.00 0.00 176.35 174.51 3gb3 s ASP 113 N 1.08 4.77 1.66 3.68 -1.08 -0.18 -4.98 116.67 121.62 3gb3 s ASP 113 Ca 0.05 -2.12 0.00 0.00 -0.52 0.00 0.00 52.55 49.96 3gb3 s ASP 113 Cb -0.14 -1.63 0.00 0.00 -1.46 0.00 0.00 42.92 39.69 3gb3 s ASP 113 CO 0.04 -0.38 0.00 -0.67 0.52 0.00 0.00 175.17 174.68 3gb3 n ASP 114 N 4.27 0.00 -1.61 -0.34 2.03 -1.26 -1.16 116.55 118.48 3gb3 n ASP 114 Ca 0.03 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.25 3gb3 n ASP 114 Cb 0.42 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 41.04 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 2.79 -4.10 5.18 -2.24 -1.26 -4.93 114.28 109.72 3gb3 n THR 115 Ca 0.00 -2.19 -0.33 0.00 -2.27 0.00 0.00 64.05 59.26 3gb3 n THR 115 Cb 0.00 -0.36 -0.16 0.00 -2.10 0.00 0.00 70.33 67.71 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 1.24 4.74 -0.19 0.00 1.01 -0.74 -1.01 120.40 125.45 3gb3 s VAL 117 Ca 0.01 1.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.98 3gb3 s VAL 117 Cb -0.15 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 3gb3 s VAL 117 CO -0.10 -0.35 0.19 -0.69 0.00 0.00 0.00 175.10 174.14 3gb3 s VAL 118 N 3.10 5.37 -0.09 2.92 1.01 0.31 -1.99 120.40 131.03 3gb3 s VAL 118 Ca 0.33 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.67 3gb3 s VAL 118 Cb -0.13 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 3gb3 s VAL 118 CO 0.15 0.42 -0.20 -0.55 0.00 0.00 0.00 175.10 174.91 3gb3 s SER 119 N 0.43 3.43 -0.15 3.32 0.15 0.80 -1.82 113.70 119.85 3gb3 s SER 119 Ca 0.11 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.33 3gb3 s SER 119 Cb -0.12 -1.25 0.01 0.00 -1.71 0.00 0.00 66.02 62.95 3gb3 s SER 119 CO 0.00 0.20 -0.20 -0.13 1.20 0.00 0.00 173.24 174.31 3gb3 s ARG 120 N 0.10 2.87 -0.04 5.44 0.52 -0.84 -0.51 118.95 126.49 3gb3 s ARG 120 Ca -0.10 -0.79 0.02 0.00 -0.52 0.00 0.00 55.73 54.34 3gb3 s ARG 120 Cb -0.16 -2.38 0.01 0.00 0.52 0.00 0.00 34.95 32.94 3gb3 s ARG 120 CO 0.06 -0.08 -0.10 0.42 0.02 0.00 0.00 175.30 175.62 3gb3 s ILE 121 N 1.00 0.88 -0.09 1.52 1.01 -0.36 -1.39 121.20 123.77 3gb3 s ILE 121 Ca -0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 3gb3 s ILE 121 Cb -0.15 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 3gb3 s ILE 121 CO -0.05 0.28 -0.05 0.42 0.00 0.00 0.00 174.94 175.54 3gb3 s THR 122 N 0.47 3.83 -0.01 2.92 -4.23 -0.78 -0.33 115.64 117.50 3gb3 s THR 122 Ca -0.08 -0.42 -0.00 0.00 -1.18 0.00 0.00 61.69 60.00 3gb3 s THR 122 Cb -0.12 -2.60 0.02 0.00 1.34 0.00 0.00 72.50 71.14 3gb3 s THR 122 CO 0.02 0.58 0.02 0.54 -0.54 0.00 0.00 174.62 175.24 3gb3 s VAL 123 N -0.58 -0.03 -0.23 2.29 0.11 0.10 -1.38 120.40 120.68 3gb3 s VAL 123 Ca 0.09 0.12 -0.01 0.00 -2.93 0.00 0.00 61.98 59.25 3gb3 s VAL 123 Cb -0.12 -0.06 0.02 0.00 -1.53 0.00 0.00 36.38 34.69 3gb3 s VAL 123 CO 0.02 0.05 -0.09 0.20 -3.33 0.00 0.00 175.10 171.95 3gb3 s ASN 124 N 0.62 4.07 -0.62 3.54 0.02 -0.21 -2.17 114.94 120.20 3gb3 s ASN 124 Ca -0.05 -0.77 -0.09 0.00 -1.02 0.00 0.00 52.86 50.93 3gb3 s ASN 124 Cb -0.07 -1.63 0.16 0.00 0.02 0.00 0.00 41.25 39.72 3gb3 s ASN 124 CO -0.02 -0.09 0.50 0.00 0.02 0.00 0.00 177.10 177.51 3gb3 s ASP 126 N 2.00 4.68 -0.79 0.00 1.01 -0.63 -1.18 116.67 121.76 3gb3 s ASP 126 Ca 0.12 -0.10 -0.02 0.00 0.71 0.00 0.00 52.55 53.26 3gb3 s ASP 126 Cb -0.20 -1.12 0.00 0.00 1.01 0.00 0.00 42.92 42.61 3gb3 s ASP 126 CO -0.04 0.30 0.29 0.61 0.21 0.00 0.00 175.17 176.55 3gb3 n GLY 127 N 1.70 0.07 3.81 0.21 0.00 -1.26 -1.27 105.19 108.45 3gb3 n GLY 127 Ca -0.16 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.84 3.42 -0.29 1.61 0.08 -1.26 -2.80 117.98 115.91 3gb3 s PHE 128 Ca 0.15 1.62 -0.22 0.00 0.12 0.00 0.00 56.93 58.60 3gb3 s PHE 128 Cb -0.06 -2.84 -0.01 0.00 -0.57 0.00 0.00 43.02 39.54 3gb3 s PHE 128 CO 0.18 -0.00 0.70 -0.65 -0.10 0.00 0.00 175.22 175.35 3gb3 s GLN 129 N -2.85 4.00 0.38 0.44 -1.52 -1.26 -4.87 119.66 113.98 3gb3 s GLN 129 Ca 0.58 0.53 0.10 0.00 -1.95 0.00 0.00 55.36 54.62 3gb3 s GLN 129 Cb -0.12 -3.70 0.88 0.00 -0.22 0.00 0.00 33.01 29.85 3gb3 s GLN 129 CO 0.16 -0.56 1.90 -1.35 -0.25 0.00 0.00 175.29 175.19 3gb3 h PRO 130 N 8.03 0.60 -0.55 2.91 0.11 -1.97 -0.91 132.00 140.22 3gb3 h PRO 130 Ca -0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3gb3 h PRO 130 Cb 1.11 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3gb3 h PRO 130 CO 0.83 0.39 0.00 -0.25 -0.21 0.00 0.00 178.00 178.76 3gb3 n ASP 131 N -4.52 4.92 -4.93 -2.05 8.00 -1.26 -4.28 116.55 112.43 3gb3 n ASP 131 Ca 0.15 -2.69 -0.21 0.00 0.71 0.00 0.00 54.79 52.75 3gb3 n ASP 131 Cb 0.44 -0.60 0.05 0.00 -0.02 0.00 0.00 41.12 40.99 3gb3 n ASP 131 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3gb3 s GLY 132 N -1.03 1.83 0.51 0.44 0.00 -0.35 -4.95 107.32 103.77 3gb3 s GLY 132 Ca 0.50 -1.57 0.33 0.00 0.00 0.00 0.00 44.72 43.99 3gb3 s GLY 132 CO 0.19 -1.23 2.00 -0.56 0.00 0.00 0.00 173.10 173.49 3gb3 h PRO 133 N 0.08 0.00 0.00 2.90 0.13 -1.93 -1.59 132.00 131.59 3gb3 h PRO 133 Ca -0.39 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3gb3 h PRO 133 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3gb3 h PRO 133 CO 0.47 0.00 -0.00 0.82 -0.23 0.00 0.00 178.00 179.06 3gb3 h ILE 134 N 0.00 1.63 0.00 -3.56 2.04 -1.94 0.14 117.51 115.82 3gb3 h ILE 134 Ca 0.00 -1.88 -0.06 0.00 1.00 0.00 0.00 64.86 63.92 3gb3 h ILE 134 Cb 0.34 2.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 3gb3 h ILE 134 CO 0.00 0.49 -0.27 0.24 0.00 0.00 0.00 178.15 178.60 3gb3 h MET 135 N -0.81 0.00 -0.42 2.37 2.86 -1.69 -0.58 114.93 116.65 3gb3 h MET 135 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3gb3 h MET 135 Cb 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 3gb3 h MET 135 CO 0.00 0.27 0.00 0.54 1.06 0.00 0.00 176.91 178.78 3gb3 n ARG 136 N -3.29 2.35 -3.42 1.72 1.74 -0.61 -4.71 116.66 110.44 3gb3 n ARG 136 Ca 0.01 -2.06 -0.20 0.00 -0.77 0.00 0.00 57.85 54.83 3gb3 n ARG 136 Cb 0.53 -1.48 0.07 0.00 -1.02 0.00 0.00 32.46 30.56 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 1.23 -5.20 -1.27 0.55 2.03 -0.69 -4.90 116.55 108.30 3gb3 n ASP 137 Ca 0.19 -0.48 0.08 0.00 0.52 0.00 0.00 54.79 55.10 3gb3 n ASP 137 Cb 0.53 -4.47 0.31 0.00 -0.72 0.00 0.00 41.12 36.77 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 -4.32 3.60 -3.21 -0.67 6.02 0.41 -4.91 117.38 114.31 3gb3 n GLN 138 Ca -0.03 -2.83 -0.39 0.00 -0.01 0.00 0.00 57.00 53.74 3gb3 n GLN 138 Cb 0.57 -1.88 -0.06 0.00 1.02 0.00 0.00 30.24 29.89 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 -2.31 4.25 -0.23 1.08 1.43 -1.24 -1.00 118.68 120.66 3gb3 s LEU 139 Ca 0.45 0.90 0.06 0.00 -1.03 0.00 0.00 54.13 54.51 3gb3 s LEU 139 Cb 0.33 -2.83 -0.18 0.00 0.03 0.00 0.00 46.19 43.54 3gb3 s LEU 139 CO 0.16 -0.09 -0.14 1.33 0.23 0.00 0.00 176.35 177.84 3gb3 n VAL 140 N 3.95 1.36 -4.07 -1.59 0.24 0.16 -4.93 118.33 113.45 3gb3 n VAL 140 Ca -0.04 -0.60 -0.14 0.00 -2.04 0.00 0.00 64.34 61.52 3gb3 n VAL 140 Cb 0.51 -1.12 -0.04 0.00 -1.47 0.00 0.00 33.84 31.72 3gb3 n VAL 140 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3gb3 n ASP 141 N -3.07 -1.03 -3.94 -1.34 5.68 -1.24 -4.98 116.55 106.63 3gb3 n ASP 141 Ca -0.39 -2.72 -0.29 0.00 -0.50 0.00 0.00 54.79 50.89 3gb3 n ASP 141 Cb 1.00 2.00 -0.16 0.00 -1.14 0.00 0.00 41.12 42.82 3gb3 n ASP 141 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3gb3 s ILE 142 N -2.88 1.33 0.34 2.12 1.01 -1.26 -2.55 121.20 119.31 3gb3 s ILE 142 Ca 0.28 -0.70 -0.28 0.00 0.00 0.00 0.00 60.65 59.95 3gb3 s ILE 142 Cb -0.00 -1.42 -0.10 0.00 0.01 0.00 0.00 42.46 40.95 3gb3 s ILE 142 CO 0.20 0.22 1.25 -0.76 0.00 0.00 0.00 174.94 175.85 3gb3 s LEU 143 N 1.55 4.39 0.35 2.97 1.43 -0.27 -4.65 118.68 124.44 3gb3 s LEU 143 Ca 0.01 2.56 -0.28 0.00 -1.03 0.00 0.00 54.13 55.39 3gb3 s LEU 143 Cb -0.15 -3.73 -0.12 0.00 0.03 0.00 0.00 46.19 42.22 3gb3 s LEU 143 CO -0.08 -0.53 1.37 -2.65 0.23 0.00 0.00 176.35 174.69 3gb3 n PRO 144 N 0.68 2.34 -4.17 1.29 -0.02 -1.26 -4.70 135.00 129.16 3gb3 n PRO 144 Ca 0.01 0.82 -0.11 0.00 -2.02 0.00 0.00 63.50 62.20 3gb3 n PRO 144 Cb 0.43 -2.46 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 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 -0.22 0.18 -0.65 2.55 2.20 -0.46 -4.98 114.94 113.57 3gb3 s ASN 145 Ca 0.55 -1.30 -0.01 0.00 -0.94 0.00 0.00 52.86 51.16 3gb3 s ASN 145 Cb -0.53 0.37 0.16 0.00 -2.00 0.00 0.00 41.25 39.25 3gb3 s ASN 145 CO 0.62 -0.82 0.46 -1.61 -2.94 0.00 0.00 177.10 172.81 3gb3 s GLU 146 N -4.11 2.56 0.53 3.55 0.41 -1.26 -1.14 118.70 119.23 3gb3 s GLU 146 Ca 0.33 -2.70 -0.22 0.00 -0.41 0.00 0.00 54.97 51.97 3gb3 s GLU 146 Cb 0.07 -3.67 -0.05 0.00 -1.78 0.00 0.00 34.13 28.69 3gb3 s GLU 146 CO 0.08 -1.18 1.29 0.95 -0.49 0.00 0.00 175.26 175.91 3gb3 s THR 147 N -0.37 2.39 -0.15 3.63 -4.23 -0.34 -4.84 115.64 111.73 3gb3 s THR 147 Ca 0.19 0.29 -0.06 0.00 -1.18 0.00 0.00 61.69 60.93 3gb3 s THR 147 Cb -0.19 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 3gb3 s THR 147 CO -0.05 -0.01 0.04 -1.00 -0.54 0.00 0.00 174.62 173.06 3gb3 s HIS 148 N -1.40 3.23 -0.12 3.99 3.76 0.10 -1.54 115.29 123.31 3gb3 s HIS 148 Ca 0.71 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.69 3gb3 s HIS 148 Cb -0.36 -1.99 -0.02 0.00 1.11 0.00 0.00 32.58 31.32 3gb3 s HIS 148 CO 0.43 0.24 -0.12 -1.64 -0.85 0.00 0.00 174.74 172.79 3gb3 s MET 149 N -0.00 3.29 0.02 1.40 -1.94 0.14 -0.49 119.30 121.72 3gb3 s MET 149 Ca 0.05 -0.67 0.05 0.00 -1.71 0.00 0.00 55.69 53.40 3gb3 s MET 149 Cb -0.12 -2.62 -0.02 0.00 2.01 0.00 0.00 34.83 34.08 3gb3 s MET 149 CO 0.01 0.27 -0.14 -0.06 -0.01 0.00 0.00 175.02 175.10 3gb3 s PHE 150 N 0.20 1.23 0.53 -0.03 0.08 0.40 -1.54 117.98 118.86 3gb3 s PHE 150 Ca -0.07 -0.31 -0.22 0.00 0.12 0.00 0.00 56.93 56.45 3gb3 s PHE 150 Cb -0.15 -0.75 -0.05 0.00 -0.57 0.00 0.00 43.02 41.49 3gb3 s PHE 150 CO 0.05 0.02 1.29 -1.25 -0.10 0.00 0.00 175.22 175.22 3gb3 s PRO 151 N -0.84 3.26 -0.41 0.24 0.04 -1.26 0.10 135.00 136.14 3gb3 s PRO 151 Ca 0.03 2.06 0.06 0.00 0.04 0.00 0.00 61.00 63.19 3gb3 s PRO 151 Cb -0.07 -2.24 0.21 0.00 0.04 0.00 0.00 34.50 32.43 3gb3 s PRO 151 CO 0.01 -1.04 0.43 1.58 0.04 0.00 0.00 177.00 178.01 3gb3 n HIS 152 N -0.98 -0.54 -0.82 0.56 -0.00 0.10 -4.65 115.22 108.89 3gb3 n HIS 152 Ca 0.10 -3.45 0.08 0.00 0.46 0.00 0.00 57.72 54.91 3gb3 n HIS 152 Cb 0.46 -0.03 -0.02 0.00 -0.12 0.00 0.00 29.99 30.28 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 2.16 -2.09 0.01 1.57 0.00 -1.26 -3.41 105.19 102.17 3gb3 n GLY 153 Ca 0.26 -1.38 0.03 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.23 0.01 -0.28 1.61 -0.04 -1.26 -3.81 135.00 129.00 3gb3 n PRO 154 Ca 0.00 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 3gb3 n PRO 154 Cb 0.25 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 -1.53 0.00 -3.83 3.54 3.02 -1.26 -4.61 115.26 110.59 3gb3 n ASN 155 Ca 0.01 -1.57 -0.09 0.00 -0.03 0.00 0.00 54.58 52.90 3gb3 n ASN 155 Cb 0.07 -0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 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 -0.00 -0.39 0.05 5.41 0.00 -1.22 -0.05 121.76 125.55 3gb3 s ALA 156 Ca 0.00 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.47 3gb3 s ALA 156 Cb 0.00 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 3gb3 s ALA 156 CO 0.00 -0.64 -0.14 0.08 0.00 0.00 0.00 175.76 175.06 3gb3 s VAL 157 N -3.89 1.14 -0.09 0.00 1.01 -0.46 -0.72 120.40 117.39 3gb3 s VAL 157 Ca 0.10 -1.10 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 3gb3 s VAL 157 Cb 0.03 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 3gb3 s VAL 157 CO -0.06 -0.05 -0.07 -0.60 0.00 0.00 0.00 175.10 174.33 3gb3 s ARG 158 N -1.31 2.98 -0.19 2.72 3.52 0.12 -0.83 118.95 125.95 3gb3 s ARG 158 Ca 0.01 -0.55 -0.00 0.00 -0.13 0.00 0.00 55.73 55.06 3gb3 s ARG 158 Cb -0.08 -2.66 0.01 0.00 -1.56 0.00 0.00 34.95 30.66 3gb3 s ARG 158 CO 0.02 0.55 -0.15 -1.14 -0.81 0.00 0.00 175.30 173.77 3gb3 s GLN 159 N -0.51 3.11 -0.09 5.12 0.74 0.76 -0.45 119.66 128.34 3gb3 s GLN 159 Ca 0.08 -0.77 0.01 0.00 0.05 0.00 0.00 55.36 54.73 3gb3 s GLN 159 Cb -0.12 -2.70 -0.02 0.00 1.10 0.00 0.00 33.01 31.27 3gb3 s GLN 159 CO 0.02 -0.20 -0.12 -0.51 -0.55 0.00 0.00 175.29 173.93 3gb3 s LEU 160 N 1.33 2.84 0.03 3.68 1.43 0.36 -1.32 118.68 127.02 3gb3 s LEU 160 Ca 0.05 -0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 3gb3 s LEU 160 Cb -0.13 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.50 3gb3 s LEU 160 CO -0.10 0.27 0.33 0.00 0.23 0.00 0.00 176.35 177.09 3gb3 s ALA 161 N -0.28 -0.78 -0.38 4.21 0.00 -0.77 0.02 121.76 123.77 3gb3 s ALA 161 Ca 0.03 0.15 -0.07 0.00 0.00 0.00 0.00 51.96 52.07 3gb3 s ALA 161 Cb -0.13 0.27 0.07 0.00 0.00 0.00 0.00 23.12 23.32 3gb3 s ALA 161 CO 0.03 -0.39 0.18 -0.06 0.00 0.00 0.00 175.76 175.52 3gb3 s PHE 162 N -2.24 3.34 -0.41 0.00 0.08 -1.26 -0.89 117.98 116.59 3gb3 s PHE 162 Ca -0.07 -1.62 -0.08 0.00 0.12 0.00 0.00 56.93 55.27 3gb3 s PHE 162 Cb -0.02 -2.69 0.08 0.00 -0.57 0.00 0.00 43.02 39.82 3gb3 s PHE 162 CO -0.01 -0.82 0.24 0.96 -0.10 0.00 0.00 175.22 175.49 3gb3 s ILE 163 N 1.37 4.11 0.10 0.64 -4.36 -0.50 -4.85 121.20 117.70 3gb3 s ILE 163 Ca 0.01 -1.43 -0.05 0.00 -0.26 0.00 0.00 60.65 58.92 3gb3 s ILE 163 Cb -0.21 -3.52 -0.05 0.00 1.25 0.00 0.00 42.46 39.92 3gb3 s ILE 163 CO 0.01 -0.49 0.34 -0.83 0.24 0.00 0.00 174.94 174.21 3gb3 s GLY 164 N 2.04 2.24 -0.08 6.27 0.00 -1.26 -0.92 107.32 115.62 3gb3 s GLY 164 Ca 0.03 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 44.17 3gb3 s GLY 164 CO 0.02 -0.47 -0.07 -1.36 0.00 0.00 0.00 173.10 171.21 3gb3 s PHE 165 N -1.54 1.23 0.34 1.90 0.08 -0.12 -1.12 117.98 118.75 3gb3 s PHE 165 Ca 0.37 -0.50 -0.26 0.00 0.12 0.00 0.00 56.93 56.65 3gb3 s PHE 165 Cb -0.13 -1.02 -0.09 0.00 -0.57 0.00 0.00 43.02 41.21 3gb3 s PHE 165 CO 0.23 -0.36 1.01 0.95 -0.10 0.00 0.00 175.22 176.95 3gb3 s THR 166 N 1.26 3.88 0.25 0.64 -4.23 -1.06 -0.38 115.64 116.00 3gb3 s THR 166 Ca -0.04 1.60 0.06 0.00 -1.18 0.00 0.00 61.69 62.12 3gb3 s THR 166 Cb -0.14 -3.91 -0.03 0.00 1.34 0.00 0.00 72.50 69.77 3gb3 s THR 166 CO -0.03 0.17 0.32 0.42 -0.54 0.00 0.00 174.62 174.96 3gb3 s THR 167 N -1.51 4.87 0.17 3.99 -4.23 0.97 -0.66 115.64 119.25 3gb3 s THR 167 Ca 0.51 -1.12 -0.15 0.00 -1.18 0.00 0.00 61.69 59.75 3gb3 s THR 167 Cb -0.23 -3.67 0.08 0.00 1.34 0.00 0.00 72.50 70.02 3gb3 s THR 167 CO 0.29 -0.32 1.71 0.00 -0.54 0.00 0.00 174.62 175.77 3gb3 h ALA 168 N 1.25 0.43 0.00 3.99 0.00 -1.39 0.74 119.26 124.28 3gb3 h ALA 168 Ca -0.50 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3gb3 h ALA 168 Cb 1.24 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3gb3 h ALA 168 CO 0.60 -0.35 0.06 -0.25 0.00 0.00 0.00 179.25 179.31 3gb3 n ASP 169 N -5.14 0.00 0.00 0.00 8.00 -1.26 -4.81 116.55 113.34 3gb3 n ASP 169 Ca 0.03 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.91 3gb3 n ASP 169 Cb 0.21 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 3gb3 n ASP 169 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gb3 n GLY 170 N -1.37 0.72 0.08 0.44 0.00 0.25 -5.07 105.19 100.24 3gb3 n GLY 170 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.10 -0.06 3.12 -0.02 0.00 -1.25 -4.76 105.19 100.12 3gb3 n GLY 171 Ca 0.00 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 43.94 3gb3 n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gb3 s LEU 172 N 0.00 1.92 -0.31 0.99 1.43 -1.26 -0.02 118.68 121.43 3gb3 s LEU 172 Ca 0.01 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.70 3gb3 s LEU 172 Cb -0.00 -0.88 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 3gb3 s LEU 172 CO 0.01 0.15 0.16 -0.32 0.23 0.00 0.00 176.35 176.58 3gb3 s MET 173 N -0.04 3.37 -0.19 1.70 -2.45 0.49 -4.94 119.30 117.24 3gb3 s MET 173 Ca -0.01 -0.70 -0.08 0.00 -1.25 0.00 0.00 55.69 53.65 3gb3 s MET 173 Cb -0.10 -3.59 -0.04 0.00 1.25 0.00 0.00 34.83 32.36 3gb3 s MET 173 CO 0.01 -0.41 0.07 1.41 1.05 0.00 0.00 175.02 177.16 3gb3 s MET 174 N 1.63 3.97 -0.08 4.11 1.75 -1.26 -0.95 119.30 128.47 3gb3 s MET 174 Ca 0.05 -0.34 -0.01 0.00 -1.25 0.00 0.00 55.69 54.14 3gb3 s MET 174 Cb -0.17 -3.26 -0.03 0.00 2.84 0.00 0.00 34.83 34.21 3gb3 s MET 174 CO 0.07 0.22 -0.03 0.20 -0.65 0.00 0.00 175.02 174.83 3gb3 s GLY 175 N 0.52 1.78 -0.40 2.11 0.00 -0.09 -1.22 107.32 110.03 3gb3 s GLY 175 Ca 0.04 -0.84 -0.13 0.00 0.00 0.00 0.00 44.72 43.79 3gb3 s GLY 175 CO 0.01 -0.60 0.26 0.30 0.00 0.00 0.00 173.10 173.07 3gb3 s HIS 176 N -0.82 3.25 -0.21 1.90 3.76 0.26 -1.41 115.29 122.01 3gb3 s HIS 176 Ca 0.12 -0.87 -0.09 0.00 -0.15 0.00 0.00 55.06 54.08 3gb3 s HIS 176 Cb -0.11 -2.58 -0.05 0.00 1.11 0.00 0.00 32.58 30.95 3gb3 s HIS 176 CO 0.02 -0.65 0.12 0.12 -0.85 0.00 0.00 174.74 173.49 3gb3 s PHE 177 N 1.60 3.31 -0.11 1.40 5.36 -0.07 -1.44 117.98 128.03 3gb3 s PHE 177 Ca 0.03 0.18 -0.04 0.00 -0.96 0.00 0.00 56.93 56.14 3gb3 s PHE 177 Cb -0.20 -2.17 0.05 0.00 -0.34 0.00 0.00 43.02 40.36 3gb3 s PHE 177 CO 0.08 0.14 0.08 0.34 -1.46 0.00 0.00 175.22 174.40 3gb3 s ASP 178 N 0.65 1.69 -0.04 6.13 -1.08 0.49 -1.85 116.67 122.67 3gb3 s ASP 178 Ca 0.06 -0.24 0.01 0.00 -0.52 0.00 0.00 52.55 51.86 3gb3 s ASP 178 Cb -0.12 -0.15 0.02 0.00 -1.46 0.00 0.00 42.92 41.20 3gb3 s ASP 178 CO 0.01 -0.30 -0.05 -0.55 0.52 0.00 0.00 175.17 174.81 3gb3 s SER 179 N 2.17 0.87 -0.18 -0.34 0.15 -0.44 -1.07 113.70 114.86 3gb3 s SER 179 Ca 0.04 -0.12 -0.02 0.00 0.70 0.00 0.00 55.95 56.55 3gb3 s SER 179 Cb -0.14 -0.38 -0.01 0.00 -1.71 0.00 0.00 66.02 63.78 3gb3 s SER 179 CO -0.06 -0.03 -0.09 -0.54 1.20 0.00 0.00 173.24 173.71 3gb3 s LYS 180 N 0.75 3.35 -0.23 5.44 3.01 0.29 -0.17 119.74 132.18 3gb3 s LYS 180 Ca -0.10 -0.67 -0.06 0.00 -1.01 0.00 0.00 55.97 54.13 3gb3 s LYS 180 Cb -0.13 -2.82 -0.03 0.00 -1.01 0.00 0.00 37.83 33.85 3gb3 s LYS 180 CO 0.00 -0.04 0.04 -1.64 0.51 0.00 0.00 175.35 174.22 3gb3 s MET 181 N 1.01 3.65 -0.05 1.68 -1.94 -0.01 -1.72 119.30 121.94 3gb3 s MET 181 Ca -0.01 -0.49 0.07 0.00 -1.71 0.00 0.00 55.69 53.55 3gb3 s MET 181 Cb -0.15 -3.22 -0.01 0.00 2.01 0.00 0.00 34.83 33.46 3gb3 s MET 181 CO -0.01 -0.09 -0.25 0.99 -0.01 0.00 0.00 175.02 175.65 3gb3 s THR 182 N 1.30 2.06 0.13 2.05 2.01 0.31 -1.35 115.64 122.15 3gb3 s THR 182 Ca 0.04 -1.08 -0.30 0.00 0.31 0.00 0.00 61.69 60.67 3gb3 s THR 182 Cb -0.15 -1.73 -0.06 0.00 0.01 0.00 0.00 72.50 70.57 3gb3 s THR 182 CO 0.02 0.57 1.01 0.12 -0.69 0.00 0.00 174.62 175.66 3gb3 s PHE 183 N -0.30 3.73 -2.15 4.92 5.36 0.93 -1.67 117.98 128.80 3gb3 s PHE 183 Ca 0.01 1.72 0.18 0.00 -0.96 0.00 0.00 56.93 57.87 3gb3 s PHE 183 Cb -0.13 -3.14 0.51 0.00 -0.34 0.00 0.00 43.02 39.93 3gb3 s PHE 183 CO 0.02 -0.11 1.41 0.09 -1.46 0.00 0.00 175.22 175.18 3gb3 n ASN 184 N 2.68 2.42 -4.85 6.13 5.03 -0.70 -4.92 115.26 121.05 3gb3 n ASN 184 Ca 0.03 -1.92 -0.27 0.00 0.87 0.00 0.00 54.58 53.29 3gb3 n ASN 184 Cb 0.48 -0.25 -0.03 0.00 -1.02 0.00 0.00 39.78 38.96 3gb3 n ASN 184 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3gb3 s GLY 185 N -1.23 2.44 -0.02 7.41 0.00 -1.26 -4.93 107.32 109.73 3gb3 s GLY 185 Ca 0.33 -1.32 0.22 0.00 0.00 0.00 0.00 44.72 43.94 3gb3 s GLY 185 CO 0.24 -1.95 0.55 -1.14 0.00 0.00 0.00 173.10 170.80 3gb3 n SER 186 N -1.59 0.15 -4.77 1.64 3.41 -1.26 -4.98 113.62 106.22 3gb3 n SER 186 Ca -0.04 -0.10 -0.33 0.00 -0.26 0.00 0.00 58.87 58.14 3gb3 n SER 186 Cb 0.64 1.82 0.04 0.00 -0.26 0.00 0.00 64.21 66.45 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 -3.45 2.84 0.13 4.33 1.70 -1.26 -4.96 118.95 118.28 3gb3 s ARG 187 Ca -0.06 1.43 -0.31 0.00 -0.47 0.00 0.00 55.73 56.32 3gb3 s ARG 187 Cb 0.14 -1.95 -0.08 0.00 -0.57 0.00 0.00 34.95 32.49 3gb3 s ARG 187 CO 0.90 -1.23 1.40 0.00 -1.08 0.00 0.00 175.30 175.30 3gb3 s ALA 188 N -2.26 3.61 -0.01 7.88 0.00 -1.26 -5.02 121.76 124.70 3gb3 s ALA 188 Ca 0.68 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.85 3gb3 s ALA 188 Cb -0.21 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 3gb3 s ALA 188 CO 0.40 -0.63 -0.20 -1.50 0.00 0.00 0.00 175.76 173.83 3gb3 s ILE 189 N 0.99 2.56 0.18 0.00 2.07 -1.26 -5.11 121.20 120.62 3gb3 s ILE 189 Ca 0.64 -1.05 -0.30 0.00 -1.41 0.00 0.00 60.65 58.54 3gb3 s ILE 189 Cb -0.38 -1.99 -0.08 0.00 0.13 0.00 0.00 42.46 40.15 3gb3 s ILE 189 CO 0.31 0.50 1.25 -0.70 -1.91 0.00 0.00 174.94 174.39 3gb3 s GLU 190 N -0.93 4.44 -0.24 3.50 2.12 -1.26 -4.92 118.70 121.41 3gb3 s GLU 190 Ca 0.12 1.95 -0.08 0.00 0.36 0.00 0.00 54.97 57.32 3gb3 s GLU 190 Cb -0.10 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.03 3gb3 s GLU 190 CO 0.01 -0.18 0.08 0.42 -0.54 0.00 0.00 175.26 175.06 3gb3 s ILE 191 N 0.12 4.45 0.51 -3.70 -1.09 -1.26 -4.82 121.20 115.40 3gb3 s ILE 191 Ca 0.55 -0.13 -0.23 0.00 -2.23 0.00 0.00 60.65 58.61 3gb3 s ILE 191 Cb -0.34 -3.08 -0.06 0.00 -1.58 0.00 0.00 42.46 37.40 3gb3 s ILE 191 CO 0.37 0.34 1.35 -2.16 -1.23 0.00 0.00 174.94 173.61 3gb3 s PRO 192 N 1.50 3.36 1.21 2.79 0.04 -1.26 -5.01 135.00 137.63 3gb3 s PRO 192 Ca 0.06 2.23 -0.19 0.00 0.04 0.00 0.00 61.00 63.14 3gb3 s PRO 192 Cb -0.15 -2.39 0.29 0.00 0.04 0.00 0.00 34.50 32.29 3gb3 s PRO 192 CO 0.04 -1.01 1.11 0.20 0.04 0.00 0.00 177.00 177.38 3gb3 s GLY 193 N -0.88 1.58 0.26 0.56 0.00 -1.26 -3.98 107.32 103.60 3gb3 s GLY 193 Ca 0.68 -0.97 -0.31 0.00 0.00 0.00 0.00 44.72 44.12 3gb3 s GLY 193 CO 0.49 -0.08 1.40 -1.05 0.00 0.00 0.00 173.10 173.86 3gb3 n PRO 194 N -4.78 2.09 -0.97 2.90 -0.02 -1.26 -4.71 135.00 128.24 3gb3 n PRO 194 Ca 0.14 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3gb3 n PRO 194 Cb 0.60 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 1.73 -0.75 -4.04 6.00 1.44 -0.59 -4.83 115.22 114.19 3gb3 n HIS 195 Ca 0.11 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.71 3gb3 n HIS 195 Cb 0.32 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.32 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 -7.37 0.49 -0.24 -1.40 0.08 0.17 -0.68 117.98 109.02 3gb3 s PHE 196 Ca 0.00 -0.62 0.01 0.00 0.12 0.00 0.00 56.93 56.43 3gb3 s PHE 196 Cb 0.00 -0.32 0.06 0.00 -0.57 0.00 0.00 43.02 42.20 3gb3 s PHE 196 CO 0.00 -0.18 -0.04 0.08 -0.10 0.00 0.00 175.22 174.98 3gb3 s VAL 197 N -1.95 1.53 0.10 -0.44 1.01 -0.59 -1.21 120.40 118.86 3gb3 s VAL 197 Ca -0.08 -1.26 -0.31 0.00 0.00 0.00 0.00 61.98 60.32 3gb3 s VAL 197 Cb -0.06 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.42 3gb3 s VAL 197 CO -0.02 -0.14 1.35 -0.89 0.00 0.00 0.00 175.10 175.40 3gb3 s THR 198 N 1.39 3.47 -0.12 3.92 2.01 -0.17 -1.20 115.64 124.94 3gb3 s THR 198 Ca -0.05 1.06 0.00 0.00 0.31 0.00 0.00 61.69 63.01 3gb3 s THR 198 Cb -0.19 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.67 3gb3 s THR 198 CO -0.07 0.08 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.21 3gb3 s ILE 199 N 1.09 1.27 -0.14 1.82 1.01 -0.29 -2.15 121.20 123.81 3gb3 s ILE 199 Ca 0.63 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.85 3gb3 s ILE 199 Cb -0.35 -1.23 0.01 0.00 0.01 0.00 0.00 42.46 40.89 3gb3 s ILE 199 CO 0.30 0.41 -0.21 -0.63 0.00 0.00 0.00 174.94 174.81 3gb3 s ILE 200 N 1.54 2.20 -0.00 2.92 1.01 -0.03 -1.35 121.20 127.48 3gb3 s ILE 200 Ca 0.03 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 59.80 3gb3 s ILE 200 Cb -0.13 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 3gb3 s ILE 200 CO -0.08 0.54 -0.15 -0.89 0.00 0.00 0.00 174.94 174.36 3gb3 s THR 201 N 0.77 1.21 -0.02 2.92 2.01 -1.26 -1.31 115.64 119.96 3gb3 s THR 201 Ca -0.08 -0.72 -0.00 0.00 0.31 0.00 0.00 61.69 61.21 3gb3 s THR 201 Cb -0.16 -1.02 0.03 0.00 0.01 0.00 0.00 72.50 71.36 3gb3 s THR 201 CO -0.01 0.29 0.03 -0.75 -0.69 0.00 0.00 174.62 173.50 3gb3 s LYS 202 N -0.49 -0.04 0.01 4.92 2.47 -0.44 -4.72 119.74 121.45 3gb3 s LYS 202 Ca 0.05 0.20 0.04 0.00 -1.56 0.00 0.00 55.97 54.71 3gb3 s LYS 202 Cb -0.06 -0.27 -0.03 0.00 -1.46 0.00 0.00 37.83 36.01 3gb3 s LYS 202 CO -0.00 -0.18 -0.10 -1.14 0.16 0.00 0.00 175.35 174.09 3gb3 s GLN 203 N 1.15 2.44 -0.04 4.03 0.74 -1.26 -0.35 119.66 126.37 3gb3 s GLN 203 Ca -0.08 -0.78 0.01 0.00 0.05 0.00 0.00 55.36 54.56 3gb3 s GLN 203 Cb -0.13 -2.42 0.02 0.00 1.10 0.00 0.00 33.01 31.58 3gb3 s GLN 203 CO -0.03 0.59 -0.03 1.41 -0.55 0.00 0.00 175.29 176.68 3gb3 s MET 204 N -1.36 0.64 0.06 1.67 -2.45 0.25 -4.98 119.30 113.12 3gb3 s MET 204 Ca 0.16 -0.04 -0.31 0.00 -1.25 0.00 0.00 55.69 54.25 3gb3 s MET 204 Cb -0.11 -0.71 -0.06 0.00 1.25 0.00 0.00 34.83 35.20 3gb3 s MET 204 CO 0.06 -0.10 1.26 0.50 1.05 0.00 0.00 175.02 177.79 3gb3 s ARG 205 N 0.94 4.39 0.36 4.11 3.52 -1.26 -0.34 118.95 130.66 3gb3 s ARG 205 Ca -0.11 1.84 0.07 0.00 -0.13 0.00 0.00 55.73 57.41 3gb3 s ARG 205 Cb -0.14 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.87 3gb3 s ARG 205 CO -0.00 -0.34 0.36 0.34 -0.81 0.00 0.00 175.30 174.85 3gb3 s ASP 206 N 1.17 5.38 -0.05 -2.12 -1.08 0.70 -4.90 116.67 115.78 3gb3 s ASP 206 Ca 0.60 -0.49 -0.38 0.00 -0.52 0.00 0.00 52.55 51.77 3gb3 s ASP 206 Cb -0.31 -0.91 -0.16 0.00 -1.46 0.00 0.00 42.92 40.08 3gb3 s ASP 206 CO 0.29 -0.46 1.54 0.41 0.52 0.00 0.00 175.17 177.47 3gb3 n THR 207 N -1.49 0.15 -3.71 1.71 -1.04 -1.26 -4.56 114.28 104.08 3gb3 n THR 207 Ca 0.00 -0.03 -0.14 0.00 -2.04 0.00 0.00 64.05 61.85 3gb3 n THR 207 Cb 0.60 -1.09 -0.14 0.00 -1.82 0.00 0.00 70.33 67.88 3gb3 n THR 207 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3gb3 s SER 208 N 1.86 0.13 0.00 8.00 0.01 -1.26 -4.68 113.70 117.76 3gb3 s SER 208 Ca 0.90 0.42 0.00 0.00 1.31 0.00 0.00 55.95 58.58 3gb3 s SER 208 Cb -0.96 0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.63 3gb3 s SER 208 CO 0.53 -0.19 0.00 -0.67 0.41 0.00 0.00 173.24 173.32 3gb3 n ASP 209 N 4.68 0.00 -0.01 2.44 -0.08 -1.26 -4.84 116.55 117.48 3gb3 n ASP 209 Ca -0.17 0.05 0.09 0.00 -1.51 0.00 0.00 54.79 53.25 3gb3 n ASP 209 Cb 0.51 -0.14 -0.14 0.00 2.34 0.00 0.00 41.12 43.70 3gb3 n ASP 209 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3gb3 n LYS 210 N -1.45 0.65 -4.64 -0.67 5.02 -1.26 -4.96 118.16 110.85 3gb3 n LYS 210 Ca 0.00 -0.14 -0.31 0.00 -2.02 0.00 0.00 58.31 55.84 3gb3 n LYS 210 Cb 0.00 -1.43 -0.12 0.00 -0.02 0.00 0.00 35.03 33.46 3gb3 n LYS 210 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3gb3 s ARG 211 N -3.19 2.20 0.26 1.97 0.52 -1.26 -4.22 118.95 115.23 3gb3 s ARG 211 Ca -0.04 -0.91 -0.30 0.00 -0.52 0.00 0.00 55.73 53.97 3gb3 s ARG 211 Cb 0.12 -2.27 -0.10 0.00 0.52 0.00 0.00 34.95 33.23 3gb3 s ARG 211 CO 0.78 0.56 1.38 -0.51 0.02 0.00 0.00 175.30 177.52 3gb3 s ASP 212 N -1.39 6.74 -0.15 0.23 1.11 -0.14 -4.61 116.67 118.46 3gb3 s ASP 212 Ca 0.15 2.62 -0.00 0.00 0.18 0.00 0.00 52.55 55.49 3gb3 s ASP 212 Cb -0.11 -2.63 0.03 0.00 1.07 0.00 0.00 42.92 41.29 3gb3 s ASP 212 CO 0.05 -0.62 -0.07 -1.00 1.18 0.00 0.00 175.17 174.71 3gb3 s HIS 213 N -0.28 1.72 -0.06 4.23 3.76 -1.26 -1.06 115.29 122.33 3gb3 s HIS 213 Ca 0.56 -1.02 0.02 0.00 -0.15 0.00 0.00 55.06 54.47 3gb3 s HIS 213 Cb -0.40 -1.34 0.01 0.00 1.11 0.00 0.00 32.58 31.97 3gb3 s HIS 213 CO 0.45 -0.60 -0.11 0.08 -0.85 0.00 0.00 174.74 173.71 3gb3 s VAL 214 N 1.63 1.06 -0.04 -0.90 1.01 -0.10 -0.22 120.40 122.84 3gb3 s VAL 214 Ca 0.02 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 3gb3 s VAL 214 Cb -0.14 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 3gb3 s VAL 214 CO -0.08 0.34 0.24 0.00 0.00 0.00 0.00 175.10 175.60 3gb3 s GLN 216 N -1.41 0.29 0.08 0.00 0.74 -0.18 0.85 119.66 120.03 3gb3 s GLN 216 Ca 0.23 0.01 0.06 0.00 0.05 0.00 0.00 55.36 55.70 3gb3 s GLN 216 Cb -0.13 -0.40 -0.04 0.00 1.10 0.00 0.00 33.01 33.54 3gb3 s GLN 216 CO 0.12 -0.06 -0.09 0.50 -0.55 0.00 0.00 175.29 175.21 3gb3 s ARG 217 N 0.63 2.24 -0.05 1.67 3.52 0.53 -0.36 118.95 127.14 3gb3 s ARG 217 Ca -0.06 -0.95 -0.02 0.00 -0.13 0.00 0.00 55.73 54.57 3gb3 s ARG 217 Cb -0.09 -2.36 0.03 0.00 -1.56 0.00 0.00 34.95 30.98 3gb3 s ARG 217 CO -0.01 0.53 0.09 -2.00 -0.81 0.00 0.00 175.30 173.09 3gb3 s GLU 218 N -2.04 -0.00 -0.19 5.12 2.12 -0.50 -1.32 118.70 121.88 3gb3 s GLU 218 Ca 0.21 0.33 -0.11 0.00 0.36 0.00 0.00 54.97 55.76 3gb3 s GLU 218 Cb -0.11 -0.29 -0.05 0.00 0.26 0.00 0.00 34.13 33.94 3gb3 s GLU 218 CO 0.13 -0.22 0.17 0.08 -0.54 0.00 0.00 175.26 174.87 3gb3 s VAL 219 N 1.51 5.38 -0.08 3.70 1.01 -0.43 -1.76 120.40 129.73 3gb3 s VAL 219 Ca -0.04 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 3gb3 s VAL 219 Cb -0.12 -3.51 0.04 0.00 0.00 0.00 0.00 36.38 32.79 3gb3 s VAL 219 CO -0.04 0.42 0.17 0.00 0.00 0.00 0.00 175.10 175.65 3gb3 s ALA 220 N 0.42 -0.28 -0.03 5.51 0.00 -0.55 -0.85 121.76 125.98 3gb3 s ALA 220 Ca 0.10 0.69 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 3gb3 s ALA 220 Cb -0.12 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.36 3gb3 s ALA 220 CO -0.00 -0.36 0.25 1.52 0.00 0.00 0.00 175.76 177.17 3gb3 s TYR 221 N 1.72 -0.15 0.23 0.00 1.13 -0.91 -1.37 117.35 118.00 3gb3 s TYR 221 Ca -0.04 0.28 -0.13 0.00 -1.41 0.00 0.00 57.07 55.77 3gb3 s TYR 221 Cb -0.12 0.06 -0.08 0.00 -1.10 0.00 0.00 41.96 40.72 3gb3 s TYR 221 CO -0.06 -0.29 0.62 0.00 -2.51 0.00 0.00 175.55 173.31 3gb3 s ALA 222 N -0.93 3.49 0.20 9.51 0.00 -0.16 -0.99 121.76 132.88 3gb3 s ALA 222 Ca -0.10 -0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.69 3gb3 s ALA 222 Cb -0.05 -2.59 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 3gb3 s ALA 222 CO 0.02 0.43 0.28 -3.38 0.00 0.00 0.00 175.76 173.11 3gb3 s HIS 223 N -1.74 0.65 0.48 0.00 -3.43 -0.35 -4.34 115.29 106.55 3gb3 s HIS 223 Ca 0.46 -0.97 0.04 0.00 -0.80 0.00 0.00 55.06 53.79 3gb3 s HIS 223 Cb -0.12 -0.16 -0.02 0.00 -1.43 0.00 0.00 32.58 30.84 3gb3 s HIS 223 CO 0.20 -0.77 0.10 -1.54 -2.00 0.00 0.00 174.74 170.72 3gb3 s SER 224 N -3.05 4.21 -0.26 7.38 1.04 -1.26 -0.66 113.70 121.10 3gb3 s SER 224 Ca 0.26 -1.45 -0.04 0.00 0.48 0.00 0.00 55.95 55.20 3gb3 s SER 224 Cb 0.03 0.18 0.09 0.00 0.10 0.00 0.00 66.02 66.42 3gb3 s SER 224 CO 0.06 -0.77 0.12 -0.69 0.98 0.00 0.00 173.24 172.94 3gb3 s VAL 225 N -2.79 -0.06 0.68 5.02 1.01 -1.26 -4.97 120.40 118.05 3gb3 s VAL 225 Ca 0.21 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 3gb3 s VAL 225 Cb 0.03 -0.88 0.04 0.00 0.00 0.00 0.00 36.38 35.57 3gb3 s VAL 225 CO 0.12 -0.60 1.02 -2.16 0.00 0.00 0.00 175.10 173.48 3gb3 s PRO 226 N 2.10 2.56 1.16 2.72 0.04 -1.26 -5.04 135.00 137.28 3gb3 s PRO 226 Ca 0.07 0.06 -0.15 0.00 0.04 0.00 0.00 61.00 61.02 3gb3 s PRO 226 Cb -0.16 -2.13 0.27 0.00 0.04 0.00 0.00 34.50 32.52 3gb3 s PRO 226 CO -0.29 -1.07 1.04 1.03 0.04 0.00 0.00 177.00 177.76 3gb3 s ARG 227 N -5.24 -0.87 0.40 4.56 3.00 -1.26 -5.06 118.95 114.47 3gb3 s ARG 227 Ca 0.58 0.51 0.08 0.00 0.00 0.00 0.00 55.73 56.89 3gb3 s ARG 227 Cb -0.11 -1.59 -0.00 0.00 0.00 0.00 0.00 34.95 33.25 3gb3 s ARG 227 CO 0.47 -3.60 0.48 0.96 0.00 0.00 0.00 175.30 173.62 3gb3 s ILE 228 N -2.67 3.15 0.00 1.52 -4.36 -1.26 -5.10 121.20 112.48 3gb3 s ILE 228 Ca 0.68 -1.11 0.00 0.00 -0.26 0.00 0.00 60.65 59.96 3gb3 s ILE 228 Cb -0.20 -3.09 0.00 0.00 1.25 0.00 0.00 42.46 40.43 3gb3 s ILE 228 CO 0.61 -0.04 0.00 0.41 0.24 0.00 0.00 174.94 176.15 3gb3 n THR 229 N -1.70 0.00 -2.04 8.37 -1.04 -1.26 -5.03 114.28 111.57 3gb3 n THR 229 Ca 0.05 0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.67 3gb3 n THR 229 Cb 0.60 -0.79 -0.03 0.00 -1.82 0.00 0.00 70.33 68.29 3gb3 n THR 229 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3gb3 s SER 230 N -0.64 6.70 0.00 8.00 0.15 -1.26 -4.87 113.70 121.78 3gb3 s SER 230 Ca 0.00 2.51 0.21 0.00 0.70 0.00 0.00 55.95 59.37 3gb3 s SER 230 Cb 0.00 -2.60 0.46 0.00 -1.71 0.00 0.00 66.02 62.17 3gb3 s SER 230 CO 0.00 -0.73 1.40 0.00 1.20 0.00 0.00 173.24 175.11 3gb3 n ALA 231 N 3.65 2.39 -3.11 5.45 0.00 -1.26 -3.85 120.51 123.77 3gb3 n ALA 231 Ca 0.12 -1.08 -0.23 0.00 0.00 0.00 0.00 53.44 52.25 3gb3 n ALA 231 Cb 0.40 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 3gb3 n ALA 231 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3gb3 n ILE 232 N 1.40 1.24 0.00 0.00 5.41 -1.26 -5.30 119.36 120.85 3gb3 n ILE 232 Ca 0.19 -4.97 0.00 0.00 1.00 0.00 0.00 62.75 58.97 3gb3 n ILE 232 Cb 0.58 -1.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 3gb3 n ILE 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16