#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gg3 s HIS 2 N 0.00 3.00 0.16 2.03 5.65 -1.26 -2.15 115.29 122.71 1gg3 s HIS 2 Ca 0.00 0.19 -0.11 0.00 0.25 0.00 0.00 55.06 55.39 1gg3 s HIS 2 Cb 0.00 -3.64 -0.07 0.00 -1.18 0.00 0.00 32.58 27.69 1gg3 s HIS 2 CO 0.00 -0.97 0.50 0.00 -0.65 0.00 0.00 174.74 173.62 1gg3 s LYS 4 N -2.26 0.99 -0.29 0.00 1.02 -0.85 -2.12 119.74 116.24 1gg3 s LYS 4 Ca 0.40 -1.41 -0.11 0.00 0.02 0.00 0.00 55.97 54.86 1gg3 s LYS 4 Cb -0.13 -2.36 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1gg3 s LYS 4 CO 0.20 -1.00 0.21 0.08 -0.92 0.00 0.00 175.35 173.92 1gg3 s VAL 5 N 1.25 5.30 -0.55 3.17 1.01 0.42 -1.58 120.40 129.42 1gg3 s VAL 5 Ca 0.11 0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.96 1gg3 s VAL 5 Cb -0.19 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1gg3 s VAL 5 CO -0.17 0.21 1.11 -0.55 0.00 0.00 0.00 175.10 175.69 1gg3 s SER 6 N 1.75 6.46 0.68 3.32 0.15 0.81 -0.46 113.70 126.41 1gg3 s SER 6 Ca 0.07 0.07 -0.13 0.00 0.70 0.00 0.00 55.95 56.66 1gg3 s SER 6 Cb -0.16 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 61.64 1gg3 s SER 6 CO 0.11 -1.36 1.08 -0.76 1.20 0.00 0.00 173.24 173.51 1gg3 s LEU 7 N 4.58 3.26 0.10 3.45 1.43 0.27 -1.67 118.68 130.08 1gg3 s LEU 7 Ca 0.41 1.81 0.05 0.00 -1.03 0.00 0.00 54.13 55.36 1gg3 s LEU 7 Cb -0.09 -4.52 0.25 0.00 0.03 0.00 0.00 46.19 41.86 1gg3 s LEU 7 CO 0.25 -1.57 1.02 0.18 0.23 0.00 0.00 176.35 176.47 1gg3 n LEU 8 N -2.79 0.12 -1.96 1.79 4.77 -1.26 -1.94 117.00 115.73 1gg3 n LEU 8 Ca 0.09 0.44 -0.24 0.00 -0.03 0.00 0.00 56.01 56.27 1gg3 n LEU 8 Cb 0.53 -0.43 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1gg3 n LEU 8 CO 0.51 -0.48 0.54 -0.90 -1.33 0.00 0.00 177.39 175.74 1gg3 n ASP 9 N -1.58 5.24 -1.94 -1.43 3.85 -1.26 -4.80 116.55 114.62 1gg3 n ASP 9 Ca -0.00 -3.77 -0.18 0.00 -0.71 0.00 0.00 54.79 50.13 1gg3 n ASP 9 Cb 0.17 -0.53 -0.04 0.00 -1.35 0.00 0.00 41.12 39.37 1gg3 n ASP 9 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1gg3 n ASP 10 N -0.82 -4.90 -4.60 -1.12 10.43 -0.82 -4.97 116.55 109.76 1gg3 n ASP 10 Ca 0.47 0.26 -0.33 0.00 2.57 0.00 0.00 54.79 57.76 1gg3 n ASP 10 Cb 0.90 -4.26 -0.11 0.00 1.84 0.00 0.00 41.12 39.49 1gg3 n ASP 10 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1gg3 s THR 11 N -2.68 3.76 -0.22 -3.53 2.01 -1.24 -4.95 115.64 108.79 1gg3 s THR 11 Ca 0.00 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 61.34 1gg3 s THR 11 Cb 0.00 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 1gg3 s THR 11 CO 0.00 0.51 0.10 -0.69 -0.69 0.00 0.00 174.62 173.84 1gg3 s VAL 12 N -0.91 4.86 -0.12 3.82 1.01 -1.26 0.94 120.40 128.75 1gg3 s VAL 12 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.05 1gg3 s VAL 12 Cb -0.11 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1gg3 s VAL 12 CO 0.04 0.39 0.16 -0.47 0.00 0.00 0.00 175.10 175.23 1gg3 s TYR 13 N 0.92 3.60 -0.00 5.22 5.04 0.39 -4.93 117.35 127.58 1gg3 s TYR 13 Ca 0.05 0.55 0.06 0.00 -2.44 0.00 0.00 57.07 55.29 1gg3 s TYR 13 Cb -0.14 -1.99 -0.02 0.00 0.35 0.00 0.00 41.96 40.17 1gg3 s TYR 13 CO 0.03 0.70 -0.18 -1.21 -1.34 0.00 0.00 175.55 173.55 1gg3 s GLU 14 N -0.93 1.42 0.15 4.97 2.02 -1.26 -0.44 118.70 124.64 1gg3 s GLU 14 Ca 0.15 -0.68 -0.06 0.00 0.02 0.00 0.00 54.97 54.40 1gg3 s GLU 14 Cb -0.12 -1.39 0.02 0.00 0.10 0.00 0.00 34.13 32.74 1gg3 s GLU 14 CO 0.04 0.38 0.31 0.00 0.02 0.00 0.00 175.26 176.02 1gg3 s VAL 16 N -2.63 -0.12 0.36 0.00 1.01 -1.26 0.32 120.40 118.09 1gg3 s VAL 16 Ca 0.06 0.33 0.08 0.00 0.00 0.00 0.00 61.98 62.45 1gg3 s VAL 16 Cb -0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.14 1gg3 s VAL 16 CO 0.05 0.14 0.10 0.68 0.00 0.00 0.00 175.10 176.06 1gg3 s VAL 17 N 1.76 2.61 0.55 2.92 -7.23 -0.91 -4.89 120.40 115.20 1gg3 s VAL 17 Ca -0.01 -1.82 -0.18 0.00 -1.81 0.00 0.00 61.98 58.16 1gg3 s VAL 17 Cb -0.12 -2.91 -0.06 0.00 0.56 0.00 0.00 36.38 33.85 1gg3 s VAL 17 CO -0.04 -0.13 1.06 -1.83 -0.31 0.00 0.00 175.10 173.85 1gg3 s GLU 18 N -3.81 3.49 0.51 4.82 -1.05 -1.26 -0.35 118.70 121.05 1gg3 s GLU 18 Ca 0.37 1.31 0.26 0.00 -0.15 0.00 0.00 54.97 56.77 1gg3 s GLU 18 Cb 0.01 -2.05 1.36 0.00 -0.44 0.00 0.00 34.13 33.01 1gg3 s GLU 18 CO 0.21 -0.69 1.94 1.57 0.95 0.00 0.00 175.26 179.24 1gg3 h LYS 19 N 0.93 0.08 -1.00 -4.83 2.10 -2.00 -1.02 116.57 110.83 1gg3 h LYS 19 Ca -0.48 -0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 57.65 1gg3 h LYS 19 Cb 1.23 -0.02 -0.31 0.00 -0.90 0.00 0.00 32.23 32.23 1gg3 h LYS 19 CO 0.58 0.05 0.65 0.72 -2.00 0.00 0.00 179.45 179.45 1gg3 n HIS 20 N -4.36 3.06 -1.99 0.07 8.25 -1.26 -4.60 115.22 114.39 1gg3 n HIS 20 Ca 0.14 -1.84 -0.42 0.00 -0.26 0.00 0.00 57.72 55.35 1gg3 n HIS 20 Cb 0.73 -0.94 -0.03 0.00 1.12 0.00 0.00 29.99 30.87 1gg3 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1gg3 s ALA 21 N -3.28 3.72 0.93 -1.41 0.00 -0.39 -4.84 121.76 116.50 1gg3 s ALA 21 Ca 0.57 1.32 -0.10 0.00 0.00 0.00 0.00 51.96 53.74 1gg3 s ALA 21 Cb 0.48 -3.59 0.15 0.00 0.00 0.00 0.00 23.12 20.16 1gg3 s ALA 21 CO 0.11 -0.75 1.13 0.21 0.00 0.00 0.00 175.76 176.46 1gg3 s LYS 22 N 0.79 0.91 0.00 0.00 2.47 -1.26 -0.44 119.74 122.21 1gg3 s LYS 22 Ca 0.67 1.44 0.00 0.00 -1.56 0.00 0.00 55.97 56.52 1gg3 s LYS 22 Cb -0.42 -1.72 0.00 0.00 -1.46 0.00 0.00 37.83 34.22 1gg3 s LYS 22 CO 0.34 -2.67 0.00 0.41 0.16 0.00 0.00 175.35 173.59 1gg3 n GLY 23 N 0.14 -1.54 0.54 5.54 0.00 0.25 -3.96 105.19 106.16 1gg3 n GLY 23 Ca 0.11 -0.52 0.40 0.00 0.00 0.00 0.00 46.02 46.01 1gg3 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gg3 n GLN 24 N -0.48 -0.00 -0.60 1.61 10.64 -1.25 0.18 117.38 127.48 1gg3 n GLN 24 Ca 0.00 0.82 0.46 0.00 -1.83 0.00 0.00 57.00 56.46 1gg3 n GLN 24 Cb 0.00 -1.89 0.71 0.00 -0.86 0.00 0.00 30.24 28.20 1gg3 n GLN 24 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1gg3 n ASP 25 N -3.47 0.00 -0.04 2.61 2.03 -1.19 0.25 116.55 116.74 1gg3 n ASP 25 Ca 0.34 0.89 -0.10 0.00 0.52 0.00 0.00 54.79 56.44 1gg3 n ASP 25 Cb 1.53 -0.43 -0.03 0.00 -0.72 0.00 0.00 41.12 41.46 1gg3 n ASP 25 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1gg3 n LEU 26 N -3.68 0.93 -0.06 -2.67 4.77 0.13 -3.99 117.00 112.43 1gg3 n LEU 26 Ca 0.39 0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 56.42 1gg3 n LEU 26 Cb 1.81 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 42.51 1gg3 n LEU 26 CO 0.39 0.03 0.95 0.25 -1.33 0.00 0.00 177.39 177.68 1gg3 h LEU 27 N -0.39 0.28 -0.05 2.23 6.46 -1.32 0.10 115.31 122.62 1gg3 h LEU 27 Ca -0.21 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.51 1gg3 h LEU 27 Cb 1.03 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.89 1gg3 h LEU 27 CO -0.13 0.23 0.01 0.50 -0.62 0.00 0.00 178.44 178.44 1gg3 h LYS 28 N 0.30 0.08 -0.66 1.25 3.64 0.31 0.22 116.57 121.72 1gg3 h LYS 28 Ca 0.09 -0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.58 1gg3 h LYS 28 Cb 0.00 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 1gg3 h LYS 28 CO -0.02 0.28 0.45 -0.09 -2.27 0.00 0.00 179.45 177.80 1gg3 h ARG 29 N -0.13 0.31 -0.07 1.90 9.65 -1.16 0.51 114.38 125.38 1gg3 h ARG 29 Ca 0.02 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1gg3 h ARG 29 Cb 0.24 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1gg3 h ARG 29 CO 0.00 0.20 -0.04 0.28 2.80 0.00 0.00 179.97 183.22 1gg3 h VAL 30 N 0.32 1.33 -0.82 0.20 2.07 -0.03 -3.01 116.25 116.30 1gg3 h VAL 30 Ca 0.32 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1gg3 h VAL 30 Cb 0.80 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 1gg3 h VAL 30 CO -0.08 0.29 0.55 0.00 0.02 0.00 0.00 177.57 178.35 1gg3 h GLU 32 N 1.08 -0.67 -0.64 0.00 4.39 0.02 -2.87 114.58 115.90 1gg3 h GLU 32 Ca 0.31 0.05 0.06 0.00 0.34 0.00 0.00 59.36 60.12 1gg3 h GLU 32 Cb -0.07 0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 28.64 1gg3 h GLU 32 CO -0.08 -0.45 -0.55 0.45 -1.16 0.00 0.00 179.01 177.23 1gg3 h HIS 33 N -0.70 -1.72 -1.13 4.33 3.86 -1.37 0.42 115.15 118.85 1gg3 h HIS 33 Ca -0.00 0.10 0.33 0.00 -1.16 0.00 0.00 60.37 59.64 1gg3 h HIS 33 Cb 0.71 0.83 -0.11 0.00 1.06 0.00 0.00 27.41 29.90 1gg3 h HIS 33 CO -0.47 -0.42 0.72 1.25 0.86 0.00 0.00 177.93 179.87 1gg3 h LEU 34 N -0.22 0.39 -0.77 2.43 7.12 -1.34 1.31 115.31 124.23 1gg3 h LEU 34 Ca 0.11 0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.23 1gg3 h LEU 34 Cb 0.49 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.69 1gg3 h LEU 34 CO -0.71 -0.03 -0.13 0.59 -0.13 0.00 0.00 178.44 178.03 1gg3 n ASN 35 N -4.70 1.33 -2.87 1.25 3.02 -0.05 -4.95 115.26 108.29 1gg3 n ASN 35 Ca 0.30 -1.22 -0.21 0.00 -0.03 0.00 0.00 54.58 53.42 1gg3 n ASN 35 Cb 1.07 0.07 0.01 0.00 -0.61 0.00 0.00 39.78 40.33 1gg3 n ASN 35 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1gg3 n LEU 36 N -0.19 -2.11 -4.78 3.41 -0.00 0.45 -4.94 117.00 108.85 1gg3 n LEU 36 Ca 0.15 -0.18 -0.38 0.00 -0.00 0.00 0.00 56.01 55.60 1gg3 n LEU 36 Cb 0.36 -2.70 -0.06 0.00 -0.00 0.00 0.00 43.42 41.02 1gg3 n LEU 36 CO 0.21 0.07 0.52 -0.76 -0.00 0.00 0.00 177.39 177.43 1gg3 s LEU 37 N -6.37 4.52 -0.19 -1.96 1.43 -1.00 -4.98 118.68 110.13 1gg3 s LEU 37 Ca 0.22 1.67 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 1gg3 s LEU 37 Cb -0.10 -3.50 -0.12 0.00 0.03 0.00 0.00 46.19 42.50 1gg3 s LEU 37 CO 0.27 0.13 -0.18 1.21 0.23 0.00 0.00 176.35 178.00 1gg3 n GLU 38 N 1.26 0.48 -2.12 1.70 4.07 -1.26 -4.67 120.64 120.09 1gg3 n GLU 38 Ca -0.03 0.12 -0.42 0.00 -0.06 0.00 0.00 57.16 56.76 1gg3 n GLU 38 Cb 0.49 -1.37 0.00 0.00 -0.06 0.00 0.00 31.44 30.50 1gg3 n GLU 38 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1gg3 n GLU 39 N -3.16 3.19 0.14 5.31 1.02 -1.26 -4.80 120.64 121.08 1gg3 n GLU 39 Ca -0.35 -3.08 -0.08 0.00 -0.02 0.00 0.00 57.16 53.63 1gg3 n GLU 39 Cb 0.85 -3.17 -0.04 0.00 -0.02 0.00 0.00 31.44 29.06 1gg3 n GLU 39 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1gg3 h ASP 40 N 6.17 -0.56 -0.36 1.62 5.19 -1.93 -3.29 116.42 123.26 1gg3 h ASP 40 Ca 0.48 0.04 0.04 0.00 -0.62 0.00 0.00 57.03 56.97 1gg3 h ASP 40 Cb 0.68 0.18 -0.05 0.00 0.18 0.00 0.00 39.33 40.32 1gg3 h ASP 40 CO 1.71 -0.29 -0.20 -1.22 -3.12 0.00 0.00 179.24 176.12 1gg3 n TYR 41 N -3.59 -0.12 -0.74 4.55 0.53 -1.26 -4.31 117.16 112.21 1gg3 n TYR 41 Ca -0.05 0.45 -0.34 0.00 -1.02 0.00 0.00 57.90 56.94 1gg3 n TYR 41 Cb 0.20 -0.55 0.14 0.00 -1.03 0.00 0.00 39.34 38.10 1gg3 n TYR 41 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 1gg3 n PHE 42 N -4.47 -1.42 0.00 -0.72 3.01 -1.24 -4.59 117.46 108.03 1gg3 n PHE 42 Ca 0.01 0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.72 1gg3 n PHE 42 Cb 0.11 -1.52 0.00 0.00 -0.01 0.00 0.00 39.48 38.05 1gg3 n PHE 42 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gg3 n GLY 43 N 2.34 0.00 0.00 1.37 0.00 -0.78 -4.29 105.19 103.84 1gg3 n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1gg3 n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gg3 n LEU 44 N -0.18 0.00 -3.60 0.99 7.99 -0.95 0.24 117.00 121.48 1gg3 n LEU 44 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.96 1gg3 n LEU 44 Cb 0.00 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.29 1gg3 n LEU 44 CO 0.00 0.00 1.04 0.00 -1.51 0.00 0.00 177.39 176.92 1gg3 s ALA 45 N 0.00 -2.11 0.17 -1.18 0.00 0.24 -4.61 121.76 114.27 1gg3 s ALA 45 Ca 0.00 1.62 0.08 0.00 0.00 0.00 0.00 51.96 53.67 1gg3 s ALA 45 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1gg3 s ALA 45 CO 0.00 -0.61 -0.08 0.96 0.00 0.00 0.00 175.76 176.03 1gg3 s ILE 46 N -2.35 3.29 0.24 0.00 -4.36 -1.26 -0.09 121.20 116.67 1gg3 s ILE 46 Ca 0.10 -1.56 -0.11 0.00 -0.26 0.00 0.00 60.65 58.82 1gg3 s ILE 46 Cb -0.01 -2.62 -0.01 0.00 1.25 0.00 0.00 42.46 41.08 1gg3 s ILE 46 CO -0.04 -0.07 0.43 -1.66 0.24 0.00 0.00 174.94 173.84 1gg3 s TRP 47 N -1.62 0.46 0.05 1.37 1.48 -0.20 -1.02 118.94 119.46 1gg3 s TRP 47 Ca 0.25 -0.80 0.07 0.00 -1.06 0.00 0.00 56.10 54.55 1gg3 s TRP 47 Cb -0.09 0.09 -0.03 0.00 -1.16 0.00 0.00 33.47 32.28 1gg3 s TRP 47 CO 0.15 -0.94 -0.15 0.16 -4.06 0.00 0.00 176.95 172.11 1gg3 s ASP 48 N -3.03 4.01 0.68 -2.66 1.47 -1.18 0.66 116.67 116.62 1gg3 s ASP 48 Ca 0.24 -0.39 0.00 0.00 1.18 0.00 0.00 52.55 53.58 1gg3 s ASP 48 Cb 0.00 -0.71 0.00 0.00 -0.34 0.00 0.00 42.92 41.88 1gg3 s ASP 48 CO 0.09 0.24 0.00 -0.46 0.68 0.00 0.00 175.17 175.72 1gg3 n ASN 49 N 1.37 -0.80 0.00 2.11 6.94 -1.26 -3.74 115.26 119.89 1gg3 n ASN 49 Ca -0.16 -0.28 0.00 0.00 -0.02 0.00 0.00 54.58 54.12 1gg3 n ASN 49 Cb 0.52 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 1gg3 n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1gg3 n ALA 50 N -3.00 0.00 0.00 -2.53 0.00 -1.26 -4.86 120.51 108.86 1gg3 n ALA 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1gg3 n ALA 50 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1gg3 n ALA 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1gg3 n THR 51 N 0.00 0.00 -4.05 0.00 -1.04 -1.26 -4.81 114.28 103.12 1gg3 n THR 51 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1gg3 n THR 51 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 1gg3 n THR 51 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1gg3 s SER 52 N 0.00 0.61 1.36 8.00 0.01 -1.26 -5.17 113.70 117.25 1gg3 s SER 52 Ca 0.00 -0.66 -0.21 0.00 1.31 0.00 0.00 55.95 56.39 1gg3 s SER 52 Cb 0.00 0.09 0.35 0.00 0.21 0.00 0.00 66.02 66.67 1gg3 s SER 52 CO 0.00 -0.33 0.97 -1.59 0.41 0.00 0.00 173.24 172.69 1gg3 s LYS 53 N -2.18 -2.45 -0.30 12.44 -2.85 -1.26 -4.84 119.74 118.31 1gg3 s LYS 53 Ca -0.07 0.21 -0.03 0.00 -1.00 0.00 0.00 55.97 55.09 1gg3 s LYS 53 Cb -0.05 -1.43 0.19 0.00 -2.06 0.00 0.00 37.83 34.48 1gg3 s LYS 53 CO -0.02 -4.58 0.77 0.99 0.10 0.00 0.00 175.35 172.61 1gg3 s THR 54 N -2.39 -0.72 0.20 3.79 2.01 -1.24 -5.01 115.64 112.27 1gg3 s THR 54 Ca 0.69 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 62.37 1gg3 s THR 54 Cb -0.15 -0.86 -0.11 0.00 0.01 0.00 0.00 72.50 71.40 1gg3 s THR 54 CO 0.59 0.00 1.62 0.26 -0.69 0.00 0.00 174.62 176.39 1gg3 s TRP 55 N 2.89 2.98 0.12 4.92 0.52 -1.26 -3.10 118.94 126.00 1gg3 s TRP 55 Ca 0.14 0.57 -0.31 0.00 0.02 0.00 0.00 56.10 56.52 1gg3 s TRP 55 Cb -0.10 -4.01 -0.09 0.00 -1.15 0.00 0.00 33.47 28.12 1gg3 s TRP 55 CO -0.21 -3.69 1.65 -1.17 0.02 0.00 0.00 176.95 173.54 1gg3 s LEU 56 N 0.89 4.37 -0.06 2.99 0.20 -0.19 -4.88 118.68 122.00 1gg3 s LEU 56 Ca 0.70 2.60 -0.30 0.00 0.69 0.00 0.00 54.13 57.82 1gg3 s LEU 56 Cb -0.46 -3.58 -0.05 0.00 -0.43 0.00 0.00 46.19 41.68 1gg3 s LEU 56 CO 0.34 -0.88 1.50 -0.62 -0.29 0.00 0.00 176.35 176.40 1gg3 s ASP 57 N 1.88 6.77 0.60 3.68 -1.08 -1.26 -4.64 116.67 122.62 1gg3 s ASP 57 Ca 0.73 2.09 0.39 0.00 -0.52 0.00 0.00 52.55 55.24 1gg3 s ASP 57 Cb -0.43 -2.54 1.90 0.00 -1.46 0.00 0.00 42.92 40.39 1gg3 s ASP 57 CO 0.32 -0.84 2.17 -1.28 0.52 0.00 0.00 175.17 176.07 1gg3 h SER 58 N 8.77 0.00 -0.24 -0.34 0.87 -1.89 -3.16 113.55 117.55 1gg3 h SER 58 Ca -0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1gg3 h SER 58 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1gg3 h SER 58 CO 0.95 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 177.25 1gg3 n ALA 59 N -2.07 2.39 -2.34 6.23 0.00 -1.26 -3.15 120.51 120.31 1gg3 n ALA 59 Ca -0.01 -0.88 -0.30 0.00 0.00 0.00 0.00 53.44 52.24 1gg3 n ALA 59 Cb 0.18 -0.64 -0.15 0.00 0.00 0.00 0.00 19.45 18.84 1gg3 n ALA 59 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1gg3 s LYS 60 N -1.29 1.88 0.33 0.00 1.02 -1.20 -4.69 119.74 115.80 1gg3 s LYS 60 Ca 0.27 -1.07 -0.24 0.00 0.02 0.00 0.00 55.97 54.96 1gg3 s LYS 60 Cb 0.17 -2.00 -0.15 0.00 -0.52 0.00 0.00 37.83 35.32 1gg3 s LYS 60 CO 0.23 0.52 0.37 0.39 -0.92 0.00 0.00 175.35 175.95 1gg3 n GLU 61 N 1.90 0.18 0.14 1.68 1.02 -1.26 0.87 120.64 125.17 1gg3 n GLU 61 Ca -0.17 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1gg3 n GLU 61 Cb 0.52 -1.14 0.30 0.00 -0.02 0.00 0.00 31.44 31.09 1gg3 n GLU 61 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1gg3 h ILE 62 N 0.73 1.29 -0.40 -3.67 2.04 -0.94 -3.31 117.51 113.25 1gg3 h ILE 62 Ca -0.35 -1.38 0.08 0.00 1.00 0.00 0.00 64.86 64.22 1gg3 h ILE 62 Cb 1.43 1.67 -0.08 0.00 -0.74 0.00 0.00 36.82 39.10 1gg3 h ILE 62 CO 0.52 0.40 -0.10 0.50 0.00 0.00 0.00 178.15 179.47 1gg3 h LYS 63 N 0.10 0.00 -0.39 2.37 3.64 -1.81 -2.17 116.57 118.31 1gg3 h LYS 63 Ca 0.01 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1gg3 h LYS 63 Cb 0.72 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1gg3 h LYS 63 CO 0.05 0.00 -0.01 0.87 -2.27 0.00 0.00 179.45 178.09 1gg3 h LYS 64 N 0.00 0.63 0.00 1.90 1.57 -1.94 -2.74 116.57 116.00 1gg3 h LYS 64 Ca 0.19 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1gg3 h LYS 64 Cb 0.30 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1gg3 h LYS 64 CO -0.41 0.66 0.00 1.04 -0.57 0.00 0.00 179.45 180.17 1gg3 n GLN 65 N -4.24 0.16 -0.97 3.15 6.02 -0.83 -3.41 117.38 117.26 1gg3 n GLN 65 Ca 0.02 0.33 0.04 0.00 -0.01 0.00 0.00 57.00 57.38 1gg3 n GLN 65 Cb 0.28 -1.77 0.15 0.00 1.02 0.00 0.00 30.24 29.91 1gg3 n GLN 65 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1gg3 n VAL 66 N -2.07 1.65 -1.68 5.09 0.24 -1.04 -5.03 118.33 115.50 1gg3 n VAL 66 Ca 0.03 -2.73 -0.42 0.00 -2.04 0.00 0.00 64.34 59.18 1gg3 n VAL 66 Cb 0.26 0.06 -0.03 0.00 -1.47 0.00 0.00 33.84 32.65 1gg3 n VAL 66 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gg3 n ARG 67 N -0.67 2.84 -1.62 7.34 1.74 -1.21 -0.53 116.66 124.55 1gg3 n ARG 67 Ca 0.17 1.04 -0.03 0.00 -0.77 0.00 0.00 57.85 58.25 1gg3 n ARG 67 Cb 0.83 -2.96 -0.01 0.00 -1.02 0.00 0.00 32.46 29.30 1gg3 n ARG 67 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gg3 n GLY 68 N 4.38 0.42 3.32 -0.13 0.00 -1.26 -5.02 105.19 106.90 1gg3 n GLY 68 Ca 0.19 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 1gg3 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gg3 s VAL 69 N -2.15 0.00 0.61 1.61 1.01 0.31 -5.15 120.40 116.63 1gg3 s VAL 69 Ca 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 1gg3 s VAL 69 Cb 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1gg3 s VAL 69 CO 0.00 -0.00 1.20 -2.16 0.00 0.00 0.00 175.10 174.14 1gg3 s PRO 70 N 0.22 2.90 -0.92 2.72 0.04 -1.26 -4.83 135.00 133.87 1gg3 s PRO 70 Ca -0.00 1.80 -0.18 0.00 0.04 0.00 0.00 61.00 62.66 1gg3 s PRO 70 Cb -0.03 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 1gg3 s PRO 70 CO 0.01 -1.26 2.03 0.91 0.04 0.00 0.00 177.00 178.73 1gg3 n TRP 71 N -1.72 2.04 -5.27 0.56 7.02 -1.26 -4.84 117.44 113.97 1gg3 n TRP 71 Ca 0.13 -2.04 -0.31 0.00 -1.02 0.00 0.00 57.50 54.27 1gg3 n TRP 71 Cb 0.50 -1.84 -0.16 0.00 -2.42 0.00 0.00 31.31 27.38 1gg3 n TRP 71 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1gg3 s ASN 72 N 4.39 3.02 0.30 -0.99 0.01 -1.26 -2.00 114.94 118.40 1gg3 s ASN 72 Ca 0.53 -0.49 0.06 0.00 -0.71 0.00 0.00 52.86 52.26 1gg3 s ASN 72 Cb 0.14 -0.60 -0.02 0.00 0.41 0.00 0.00 41.25 41.17 1gg3 s ASN 72 CO 0.06 0.28 0.27 0.49 -1.51 0.00 0.00 177.10 176.68 1gg3 n PHE 73 N 2.72 -0.77 -3.86 2.20 3.01 -0.62 -4.57 117.46 115.58 1gg3 n PHE 73 Ca -0.17 -2.47 -0.12 0.00 1.01 0.00 0.00 57.45 55.70 1gg3 n PHE 73 Cb 0.52 0.28 -0.14 0.00 -0.01 0.00 0.00 39.48 40.12 1gg3 n PHE 73 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1gg3 s THR 74 N -3.17 -0.01 -0.07 4.37 -4.23 0.21 -0.13 115.64 112.61 1gg3 s THR 74 Ca 0.35 0.02 -0.23 0.00 -1.18 0.00 0.00 61.69 60.65 1gg3 s THR 74 Cb 0.02 -0.02 -0.04 0.00 1.34 0.00 0.00 72.50 73.80 1gg3 s THR 74 CO 0.25 0.01 0.67 0.12 -0.54 0.00 0.00 174.62 175.12 1gg3 s PHE 75 N 0.11 3.57 0.25 3.99 2.19 -0.67 -1.03 117.98 126.38 1gg3 s PHE 75 Ca -0.01 1.20 -0.05 0.00 0.33 0.00 0.00 56.93 58.39 1gg3 s PHE 75 Cb -0.01 -2.77 -0.02 0.00 -1.31 0.00 0.00 43.02 38.91 1gg3 s PHE 75 CO -0.00 0.10 0.34 -0.80 1.83 0.00 0.00 175.22 176.69 1gg3 s ASN 76 N 0.77 0.29 -0.20 6.13 -0.87 0.87 -4.15 114.94 117.78 1gg3 s ASN 76 Ca 0.36 -1.25 -0.17 0.00 -1.57 0.00 0.00 52.86 50.23 1gg3 s ASN 76 Cb -0.17 0.52 -0.04 0.00 -0.02 0.00 0.00 41.25 41.54 1gg3 s ASN 76 CO 0.17 -1.06 0.45 -0.69 -2.57 0.00 0.00 177.10 173.40 1gg3 s VAL 77 N -3.85 5.16 -0.24 1.60 1.01 -1.26 0.82 120.40 123.64 1gg3 s VAL 77 Ca 0.31 0.81 0.05 0.00 0.00 0.00 0.00 61.98 63.15 1gg3 s VAL 77 Cb 0.02 -3.77 -0.19 0.00 0.00 0.00 0.00 36.38 32.44 1gg3 s VAL 77 CO 0.13 0.22 -0.15 1.17 0.00 0.00 0.00 175.10 176.48 1gg3 n LYS 78 N 4.59 0.66 -3.88 2.72 4.81 0.66 -4.70 118.16 123.02 1gg3 n LYS 78 Ca -0.07 0.12 -0.31 0.00 -0.87 0.00 0.00 58.31 57.18 1gg3 n LYS 78 Cb 0.51 -1.53 -0.12 0.00 0.02 0.00 0.00 35.03 33.91 1gg3 n LYS 78 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1gg3 s PHE 79 N -2.51 3.33 0.14 5.64 2.99 -1.22 -4.82 117.98 121.53 1gg3 s PHE 79 Ca -0.29 -3.13 -0.31 0.00 0.00 0.00 0.00 56.93 53.20 1gg3 s PHE 79 Cb 0.08 -2.88 -0.10 0.00 0.00 0.00 0.00 43.02 40.12 1gg3 s PHE 79 CO 0.65 -0.72 1.68 0.71 -0.00 0.00 0.00 175.22 177.54 1gg3 s TYR 80 N -0.55 2.69 0.38 0.36 1.51 -1.26 -1.86 117.35 118.61 1gg3 s TYR 80 Ca 0.19 0.36 -0.26 0.00 -1.01 0.00 0.00 57.07 56.35 1gg3 s TYR 80 Cb -0.20 -4.03 -0.09 0.00 -0.11 0.00 0.00 41.96 37.53 1gg3 s TYR 80 CO -0.04 -4.02 1.13 -1.25 -1.11 0.00 0.00 175.55 170.26 1gg3 s PRO 81 N 1.83 4.17 0.06 -1.71 0.04 -1.26 -4.74 135.00 133.39 1gg3 s PRO 81 Ca 0.74 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 63.35 1gg3 s PRO 81 Cb -0.45 -2.73 -0.12 0.00 0.04 0.00 0.00 34.50 31.25 1gg3 s PRO 81 CO 0.33 -0.20 1.42 -1.35 0.04 0.00 0.00 177.00 177.24 1gg3 h PRO 82 N 2.79 0.39 -4.07 0.56 0.11 -1.99 -3.38 132.00 126.41 1gg3 h PRO 82 Ca -0.48 -0.17 -0.65 0.00 0.11 0.00 0.00 66.00 64.81 1gg3 h PRO 82 Cb 1.23 -0.01 -0.40 0.00 0.11 0.00 0.00 31.00 31.92 1gg3 h PRO 82 CO 0.63 0.68 -0.69 0.34 -0.21 0.00 0.00 178.00 178.75 1gg3 s ASP 83 N -6.04 4.50 0.44 -2.05 2.15 -1.26 -4.92 116.67 109.49 1gg3 s ASP 83 Ca -0.14 -2.44 0.10 0.00 0.43 0.00 0.00 52.55 50.50 1gg3 s ASP 83 Cb 0.06 -1.55 0.96 0.00 -0.30 0.00 0.00 42.92 42.09 1gg3 s ASP 83 CO 0.75 -0.33 2.06 1.55 -0.17 0.00 0.00 175.17 179.04 1gg3 h PRO 84 N 7.22 0.35 -0.30 4.34 0.13 -1.92 -2.55 132.00 139.27 1gg3 h PRO 84 Ca -0.06 -0.03 0.09 0.00 -0.87 0.00 0.00 66.00 65.13 1gg3 h PRO 84 Cb 0.97 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1gg3 h PRO 84 CO 0.57 0.27 0.37 0.00 -0.23 0.00 0.00 178.00 178.97 1gg3 h ALA 85 N 1.80 1.93 0.00 -0.56 0.00 -1.95 0.24 119.26 120.71 1gg3 h ALA 85 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1gg3 h ALA 85 Cb 0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1gg3 h ALA 85 CO -0.01 -0.52 0.00 0.37 0.00 0.00 0.00 179.25 179.08 1gg3 h GLN 86 N 0.00 0.00 -7.09 0.00 5.75 -1.90 -3.45 115.11 108.41 1gg3 h GLN 86 Ca 0.14 0.00 -0.56 0.00 -0.15 0.00 0.00 58.65 58.08 1gg3 h GLN 86 Cb 0.88 0.00 0.16 0.00 1.07 0.00 0.00 27.48 29.59 1gg3 h GLN 86 CO -0.00 0.00 0.45 1.28 -2.65 0.00 0.00 178.83 177.91 1gg3 n LEU 87 N -2.46 5.62 -0.02 -2.39 4.77 0.83 -4.97 117.00 118.37 1gg3 n LEU 87 Ca 0.04 0.79 -0.16 0.00 -0.03 0.00 0.00 56.01 56.65 1gg3 n LEU 87 Cb 0.38 -1.54 -0.09 0.00 -2.33 0.00 0.00 43.42 39.84 1gg3 n LEU 87 CO 0.28 -1.18 0.39 0.74 -1.33 0.00 0.00 177.39 176.29 1gg3 h THR 88 N 0.31 1.41 -1.66 -5.08 2.02 -1.88 -3.47 112.91 104.56 1gg3 h THR 88 Ca -0.50 -1.82 -0.54 0.00 0.77 0.00 0.00 66.41 64.32 1gg3 h THR 88 Cb 1.34 2.35 -0.07 0.00 -1.74 0.00 0.00 68.15 70.03 1gg3 h THR 88 CO 0.52 0.53 -0.48 -1.61 0.37 0.00 0.00 175.52 174.85 1gg3 s GLU 89 N -3.57 2.35 0.02 6.66 2.02 -1.26 -5.04 118.70 119.89 1gg3 s GLU 89 Ca -0.14 -1.67 0.15 0.00 0.02 0.00 0.00 54.97 53.33 1gg3 s GLU 89 Cb 0.04 -2.15 -0.17 0.00 0.10 0.00 0.00 34.13 31.95 1gg3 s GLU 89 CO 0.80 -0.07 0.78 -0.44 0.02 0.00 0.00 175.26 176.34 1gg3 h ASP 90 N 1.36 0.00 -0.64 -0.19 5.19 -1.99 -3.25 116.42 116.89 1gg3 h ASP 90 Ca -0.43 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.03 1gg3 h ASP 90 Cb 1.26 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.72 1gg3 h ASP 90 CO 0.65 0.77 0.37 0.16 -3.12 0.00 0.00 179.24 178.06 1gg3 h ILE 91 N 0.00 1.01 -0.35 0.35 3.07 -1.96 0.54 117.51 120.17 1gg3 h ILE 91 Ca -0.21 -0.24 0.06 0.00 1.55 0.00 0.00 64.86 66.01 1gg3 h ILE 91 Cb 1.77 0.24 -0.05 0.00 -0.27 0.00 0.00 36.82 38.51 1gg3 h ILE 91 CO 0.06 0.13 0.04 0.74 -1.05 0.00 0.00 178.15 178.07 1gg3 h THR 92 N 0.71 0.79 0.00 0.16 2.02 -1.96 0.17 112.91 114.80 1gg3 h THR 92 Ca 0.28 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.35 1gg3 h THR 92 Cb 0.12 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1gg3 h THR 92 CO -0.15 0.03 -0.28 0.03 0.37 0.00 0.00 175.52 175.52 1gg3 h ARG 93 N 0.15 0.00 -0.51 6.66 3.08 -1.23 -1.42 114.38 121.12 1gg3 h ARG 93 Ca 0.17 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 1gg3 h ARG 93 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1gg3 h ARG 93 CO -0.25 0.28 0.16 -0.92 -1.07 0.00 0.00 179.97 178.18 1gg3 h TYR 94 N 0.00 0.82 -0.02 3.04 3.20 0.27 -0.80 116.97 123.48 1gg3 h TYR 94 Ca -0.00 -0.08 -0.19 0.00 3.14 0.00 0.00 58.73 61.60 1gg3 h TYR 94 Cb 0.50 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1gg3 h TYR 94 CO 0.00 0.70 -0.81 1.88 -1.64 0.00 0.00 178.16 178.29 1gg3 h TYR 95 N 0.69 0.31 -0.55 -3.82 0.99 -0.40 -2.06 116.97 112.14 1gg3 h TYR 95 Ca 0.16 -0.16 -0.05 0.00 2.00 0.00 0.00 58.73 60.69 1gg3 h TYR 95 Cb 0.27 -0.04 -0.03 0.00 1.00 0.00 0.00 36.73 37.93 1gg3 h TYR 95 CO 0.01 0.94 0.14 1.25 -0.00 0.00 0.00 178.16 180.51 1gg3 h LEU 96 N 0.13 0.78 -0.30 3.88 6.46 -0.99 0.16 115.31 125.42 1gg3 h LEU 96 Ca -0.04 -0.13 -0.13 0.00 -0.12 0.00 0.00 57.88 57.47 1gg3 h LEU 96 Cb 1.41 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 41.13 1gg3 h LEU 96 CO 0.13 0.75 -0.30 0.00 -0.62 0.00 0.00 178.44 178.39 1gg3 h LEU 98 N 0.48 0.68 0.45 0.00 3.38 -0.47 0.13 115.31 119.96 1gg3 h LEU 98 Ca 0.05 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1gg3 h LEU 98 Cb 0.88 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1gg3 h LEU 98 CO 0.08 0.41 -0.22 -0.61 0.09 0.00 0.00 178.44 178.19 1gg3 h GLN 99 N 0.81 -0.58 -0.92 1.13 5.75 -0.53 -1.22 115.11 119.55 1gg3 h GLN 99 Ca 0.37 0.04 0.13 0.00 -0.15 0.00 0.00 58.65 59.04 1gg3 h GLN 99 Cb 0.27 0.13 -0.09 0.00 1.07 0.00 0.00 27.48 28.87 1gg3 h GLN 99 CO -0.21 -0.28 0.54 -0.07 -2.65 0.00 0.00 178.83 176.15 1gg3 h LEU 100 N -0.87 0.75 -1.14 -2.39 3.38 -0.74 0.85 115.31 115.14 1gg3 h LEU 100 Ca -0.06 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1gg3 h LEU 100 Cb 0.57 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1gg3 h LEU 100 CO 0.10 0.37 0.39 0.03 0.09 0.00 0.00 178.44 179.42 1gg3 h ARG 101 N 0.82 0.98 0.12 1.13 3.08 -0.68 0.67 114.38 120.50 1gg3 h ARG 101 Ca 0.47 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.41 1gg3 h ARG 101 Cb 0.55 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1gg3 h ARG 101 CO -0.30 0.72 -0.06 0.37 -1.07 0.00 0.00 179.97 179.63 1gg3 h GLN 102 N 0.99 -0.16 -0.22 0.04 5.75 0.16 -2.27 115.11 119.40 1gg3 h GLN 102 Ca 0.25 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.81 1gg3 h GLN 102 Cb 0.03 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 1gg3 h GLN 102 CO -0.04 -0.00 -0.05 -0.44 -2.65 0.00 0.00 178.83 175.65 1gg3 h ASP 103 N -0.28 -0.19 -0.63 -0.69 3.32 0.18 -2.92 116.42 115.22 1gg3 h ASP 103 Ca -0.02 0.06 0.10 0.00 0.02 0.00 0.00 57.03 57.20 1gg3 h ASP 103 Cb 0.23 0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.83 1gg3 h ASP 103 CO 0.03 -0.06 0.22 0.40 -1.72 0.00 0.00 179.24 178.10 1gg3 h ILE 104 N 0.01 0.73 0.00 0.35 2.04 0.43 -0.16 117.51 120.92 1gg3 h ILE 104 Ca 0.11 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 1gg3 h ILE 104 Cb 0.16 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1gg3 h ILE 104 CO -0.22 0.07 -0.25 0.58 0.00 0.00 0.00 178.15 178.33 1gg3 h VAL 105 N 0.39 0.95 -0.81 1.67 2.07 -1.23 -2.85 116.25 116.44 1gg3 h VAL 105 Ca 0.32 -0.93 -0.42 0.00 0.82 0.00 0.00 66.70 66.49 1gg3 h VAL 105 Cb 0.42 1.53 -0.25 0.00 -1.52 0.00 0.00 31.29 31.48 1gg3 h VAL 105 CO -0.34 0.24 0.44 0.00 0.02 0.00 0.00 177.57 177.94 1gg3 n ALA 106 N -2.39 5.25 -2.04 1.67 0.00 -0.85 -4.09 120.51 118.05 1gg3 n ALA 106 Ca -0.02 -2.98 -0.10 0.00 0.00 0.00 0.00 53.44 50.34 1gg3 n ALA 106 Cb 0.33 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 1gg3 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gg3 n GLY 107 N -1.14 0.03 0.07 0.00 0.00 -1.07 -4.78 105.19 98.29 1gg3 n GLY 107 Ca 0.52 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.67 1gg3 n GLY 107 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1gg3 n ARG 108 N -2.38 0.24 -3.43 1.61 0.63 -0.13 -4.28 116.66 108.92 1gg3 n ARG 108 Ca -0.12 0.11 -0.27 0.00 -0.92 0.00 0.00 57.85 56.65 1gg3 n ARG 108 Cb 0.50 -1.69 -0.10 0.00 0.45 0.00 0.00 32.46 31.62 1gg3 n ARG 108 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1gg3 s LEU 109 N -4.12 1.64 0.46 6.15 0.20 -1.22 -4.89 118.68 116.90 1gg3 s LEU 109 Ca 0.08 -3.09 -0.24 0.00 0.69 0.00 0.00 54.13 51.58 1gg3 s LEU 109 Cb 0.14 -0.52 -0.07 0.00 -0.43 0.00 0.00 46.19 45.30 1gg3 s LEU 109 CO 0.67 -0.17 1.24 -2.16 -0.29 0.00 0.00 176.35 175.64 1gg3 s PRO 110 N -0.01 3.72 0.09 0.98 0.04 -1.26 -4.60 135.00 133.96 1gg3 s PRO 110 Ca 0.32 1.98 -0.25 0.00 0.04 0.00 0.00 61.00 63.08 1gg3 s PRO 110 Cb 0.02 -2.50 0.08 0.00 0.04 0.00 0.00 34.50 32.14 1gg3 s PRO 110 CO -0.19 -0.64 0.71 0.00 0.04 0.00 0.00 177.00 176.93 1gg3 s SER 112 N -2.63 -0.83 0.16 0.00 1.04 -1.26 -4.75 113.70 105.43 1gg3 s SER 112 Ca 0.02 1.00 -0.07 0.00 0.48 0.00 0.00 55.95 57.39 1gg3 s SER 112 Cb -0.01 -1.46 0.02 0.00 0.10 0.00 0.00 66.02 64.66 1gg3 s SER 112 CO -0.11 -5.24 1.46 0.15 0.98 0.00 0.00 173.24 170.48 1gg3 h PHE 113 N -3.34 0.91 0.61 5.02 3.57 -2.03 -1.57 116.94 120.12 1gg3 h PHE 113 Ca -0.47 -0.32 -0.03 0.00 3.53 0.00 0.00 57.97 60.68 1gg3 h PHE 113 Cb 1.34 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 39.92 1gg3 h PHE 113 CO -2.62 1.10 -0.29 0.00 -2.23 0.00 0.00 178.31 174.26 1gg3 h ALA 114 N 0.84 -1.07 -0.76 2.41 0.00 -1.98 -1.03 119.26 117.67 1gg3 h ALA 114 Ca 0.02 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.92 1gg3 h ALA 114 Cb 1.11 0.32 -0.13 0.00 0.00 0.00 0.00 17.79 19.09 1gg3 h ALA 114 CO 0.11 -1.01 0.05 1.15 0.00 0.00 0.00 179.25 179.55 1gg3 h THR 115 N -0.93 0.37 0.28 0.00 2.02 -1.92 0.25 112.91 112.97 1gg3 h THR 115 Ca -0.08 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1gg3 h THR 115 Cb 0.63 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1gg3 h THR 115 CO 0.14 0.02 -0.22 -0.07 0.37 0.00 0.00 175.52 175.76 1gg3 h LEU 116 N 0.13 -0.57 -1.85 2.58 3.38 -1.25 -0.87 115.31 116.86 1gg3 h LEU 116 Ca 0.42 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.42 1gg3 h LEU 116 Cb 0.76 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1gg3 h LEU 116 CO -0.64 -0.33 -0.10 0.00 0.09 0.00 0.00 178.44 177.46 1gg3 h ALA 117 N 0.16 1.74 0.05 1.53 0.00 0.24 0.48 119.26 123.47 1gg3 h ALA 117 Ca -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1gg3 h ALA 117 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1gg3 h ALA 117 CO -0.01 0.13 -0.03 1.25 0.00 0.00 0.00 179.25 180.59 1gg3 h LEU 118 N 0.00 -0.06 -1.23 0.00 6.46 -0.11 -2.20 115.31 118.17 1gg3 h LEU 118 Ca -0.00 0.00 0.22 0.00 -0.12 0.00 0.00 57.88 57.98 1gg3 h LEU 118 Cb 0.19 0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 40.04 1gg3 h LEU 118 CO 0.01 -0.03 0.63 -0.07 -0.62 0.00 0.00 178.44 178.36 1gg3 h LEU 119 N -0.11 0.59 0.11 2.25 3.38 -1.09 -0.28 115.31 120.16 1gg3 h LEU 119 Ca -0.01 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1gg3 h LEU 119 Cb 0.06 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1gg3 h LEU 119 CO 0.01 0.18 -0.27 1.23 0.09 0.00 0.00 178.44 179.68 1gg3 h GLY 120 N 0.55 -0.50 0.33 0.83 0.00 -0.03 -1.31 103.07 102.95 1gg3 h GLY 120 Ca 0.57 0.32 0.09 0.00 0.00 0.00 0.00 47.33 48.30 1gg3 h GLY 120 CO -0.32 -0.23 0.08 1.48 0.00 0.00 0.00 176.54 177.56 1gg3 h SER 121 N -0.48 -0.03 0.07 0.19 4.64 -0.40 0.61 113.55 118.15 1gg3 h SER 121 Ca 0.03 0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 1gg3 h SER 121 Cb 0.51 0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1gg3 h SER 121 CO -0.17 0.01 -0.08 1.88 -0.87 0.00 0.00 176.83 177.60 1gg3 h TYR 122 N 0.21 0.04 -0.33 4.77 0.99 -1.13 -1.09 116.97 120.44 1gg3 h TYR 122 Ca 0.25 -0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.82 1gg3 h TYR 122 Cb 0.34 -0.01 -0.01 0.00 1.00 0.00 0.00 36.73 38.05 1gg3 h TYR 122 CO -0.24 0.13 -0.41 1.15 -0.00 0.00 0.00 178.16 178.78 1gg3 h THR 123 N 0.04 1.28 -0.33 -2.88 2.02 0.23 -2.43 112.91 110.85 1gg3 h THR 123 Ca 0.01 -1.59 -0.07 0.00 0.77 0.00 0.00 66.41 65.53 1gg3 h THR 123 Cb 0.17 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1gg3 h THR 123 CO 0.01 0.52 -0.07 0.40 0.37 0.00 0.00 175.52 176.75 1gg3 h ILE 124 N 0.66 1.22 0.40 3.11 1.08 0.07 -1.30 117.51 122.75 1gg3 h ILE 124 Ca 0.05 -0.95 -0.02 0.00 -0.39 0.00 0.00 64.86 63.55 1gg3 h ILE 124 Cb 0.98 1.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.79 1gg3 h ILE 124 CO 0.09 0.32 -0.19 1.56 -0.69 0.00 0.00 178.15 179.24 1gg3 h GLN 125 N 0.50 -0.51 -0.98 2.37 1.08 -1.13 0.18 115.11 116.62 1gg3 h GLN 125 Ca 0.10 0.04 0.15 0.00 -1.45 0.00 0.00 58.65 57.49 1gg3 h GLN 125 Cb 0.44 0.12 -0.16 0.00 -0.05 0.00 0.00 27.48 27.83 1gg3 h GLN 125 CO 0.02 -0.34 -0.39 0.77 -0.95 0.00 0.00 178.83 177.94 1gg3 h SER 126 N -0.58 -1.43 -0.19 1.46 0.02 -1.34 1.19 113.55 112.68 1gg3 h SER 126 Ca -0.05 0.31 -0.20 0.00 -0.84 0.00 0.00 61.79 61.01 1gg3 h SER 126 Cb 0.41 0.75 0.01 0.00 0.14 0.00 0.00 62.40 63.71 1gg3 h SER 126 CO 0.09 -0.29 -0.65 -0.33 -1.14 0.00 0.00 176.83 174.51 1gg3 h GLU 127 N -0.01 0.78 0.02 3.45 4.39 -1.27 -3.41 114.58 118.53 1gg3 h GLU 127 Ca 0.34 -0.58 -0.40 0.00 0.34 0.00 0.00 59.36 59.06 1gg3 h GLU 127 Cb 0.60 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.29 1gg3 h GLU 127 CO -0.98 1.20 -2.33 1.28 -1.16 0.00 0.00 179.01 177.02 1gg3 n LEU 128 N -4.02 2.56 0.00 1.33 4.77 0.62 -5.09 117.00 117.16 1gg3 n LEU 128 Ca -0.07 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1gg3 n LEU 128 Cb 0.68 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1gg3 n LEU 128 CO 0.51 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.95 1gg3 n GLY 129 N 1.87 1.20 2.10 -0.72 0.00 0.40 -4.99 105.19 105.06 1gg3 n GLY 129 Ca -0.45 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.29 1gg3 n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gg3 n ASP 130 N -0.09 -0.95 0.00 1.61 8.00 -1.26 -4.78 116.55 119.08 1gg3 n ASP 130 Ca 0.00 0.67 0.00 0.00 0.71 0.00 0.00 54.79 56.17 1gg3 n ASP 130 Cb 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 1gg3 n ASP 130 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gg3 n TYR 131 N -0.11 0.00 -1.99 1.24 9.36 -1.26 -4.97 117.16 119.42 1gg3 n TYR 131 Ca 0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.32 1gg3 n TYR 131 Cb 0.17 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.88 1gg3 n TYR 131 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1gg3 n ASP 132 N -0.55 -8.05 -1.89 2.98 -0.08 -1.26 -4.39 116.55 103.30 1gg3 n ASP 132 Ca 0.00 1.39 -0.00 0.00 -1.51 0.00 0.00 54.79 54.67 1gg3 n ASP 132 Cb 0.00 -4.42 -0.00 0.00 2.34 0.00 0.00 41.12 39.04 1gg3 n ASP 132 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1gg3 n PRO 133 N 1.53 0.27 -0.00 -0.67 -0.02 -1.26 -1.42 135.00 133.42 1gg3 n PRO 133 Ca 0.00 -0.01 0.06 0.00 -2.02 0.00 0.00 63.50 61.53 1gg3 n PRO 133 Cb 0.00 -1.38 -0.09 0.00 -0.02 0.00 0.00 33.50 32.01 1gg3 n PRO 133 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1gg3 n GLU 134 N 1.90 1.02 -1.37 -0.52 0.28 -1.26 -4.19 120.64 116.50 1gg3 n GLU 134 Ca 0.00 -0.09 -0.27 0.00 -0.16 0.00 0.00 57.16 56.65 1gg3 n GLU 134 Cb 0.13 -1.25 -0.08 0.00 1.43 0.00 0.00 31.44 31.67 1gg3 n GLU 134 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1gg3 n LEU 135 N -1.78 6.83 -3.95 -1.84 4.32 -0.51 -4.91 117.00 115.16 1gg3 n LEU 135 Ca -0.01 -3.97 -0.20 0.00 -0.02 0.00 0.00 56.01 51.81 1gg3 n LEU 135 Cb 0.30 -1.39 0.06 0.00 -1.62 0.00 0.00 43.42 40.77 1gg3 n LEU 135 CO 0.27 1.86 -0.71 1.41 -1.22 0.00 0.00 177.39 178.99 1gg3 n HIS 136 N 2.19 -1.55 -2.14 -1.77 8.25 -1.26 -4.69 115.22 114.24 1gg3 n HIS 136 Ca 0.56 0.46 0.00 0.00 -0.26 0.00 0.00 57.72 58.47 1gg3 n HIS 136 Cb 0.56 -1.40 0.00 0.00 1.12 0.00 0.00 29.99 30.27 1gg3 n HIS 136 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gg3 n GLY 137 N 2.92 -5.16 2.32 -1.41 0.00 -1.26 -4.22 105.19 98.37 1gg3 n GLY 137 Ca 0.01 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1gg3 n GLY 137 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1gg3 n VAL 138 N 1.95 1.81 -2.66 1.61 0.24 -1.26 -2.67 118.33 117.35 1gg3 n VAL 138 Ca 0.00 -0.96 -0.04 0.00 -2.04 0.00 0.00 64.34 61.30 1gg3 n VAL 138 Cb 0.00 -1.85 0.02 0.00 -1.47 0.00 0.00 33.84 30.53 1gg3 n VAL 138 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1gg3 n ASP 139 N 3.08 -1.24 0.03 -1.34 5.75 -1.26 -5.02 116.55 116.54 1gg3 n ASP 139 Ca 0.28 -1.79 -0.09 0.00 -0.01 0.00 0.00 54.79 53.18 1gg3 n ASP 139 Cb 0.42 1.04 -0.13 0.00 -1.03 0.00 0.00 41.12 41.42 1gg3 n ASP 139 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 1gg3 h TYR 140 N 1.41 0.08 0.00 2.11 -0.00 -1.68 -3.30 116.97 115.59 1gg3 h TYR 140 Ca -0.51 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.73 58.15 1gg3 h TYR 140 Cb 1.24 -0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.97 1gg3 h TYR 140 CO -0.01 1.07 -0.05 0.28 -0.00 0.00 0.00 178.16 179.44 1gg3 h VAL 141 N 0.01 0.17 0.00 -0.90 2.07 -1.94 -3.19 116.25 112.47 1gg3 h VAL 141 Ca -0.15 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1gg3 h VAL 141 Cb 1.90 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1gg3 h VAL 141 CO 0.12 0.05 0.00 -1.54 0.02 0.00 0.00 177.57 176.22 1gg3 n SER 142 N -3.23 0.00 -0.47 0.57 3.41 -1.24 -0.59 113.62 112.06 1gg3 n SER 142 Ca -0.01 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.67 1gg3 n SER 142 Cb 0.26 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.25 1gg3 n SER 142 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1gg3 n ASP 143 N -0.79 1.92 -4.85 4.04 10.43 -1.21 -5.01 116.55 121.08 1gg3 n ASP 143 Ca 0.00 -1.46 -0.27 0.00 2.57 0.00 0.00 54.79 55.63 1gg3 n ASP 143 Cb 0.00 0.16 -0.05 0.00 1.84 0.00 0.00 41.12 43.07 1gg3 n ASP 143 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1gg3 s PHE 144 N -1.33 3.29 -0.94 1.24 0.40 0.24 -5.05 117.98 115.83 1gg3 s PHE 144 Ca 0.15 0.05 -0.14 0.00 -0.60 0.00 0.00 56.93 56.38 1gg3 s PHE 144 Cb 0.11 -1.58 0.20 0.00 0.51 0.00 0.00 43.02 42.26 1gg3 s PHE 144 CO 0.23 0.52 0.99 0.15 0.70 0.00 0.00 175.22 177.80 1gg3 s LYS 145 N -3.08 3.76 -0.06 0.44 1.02 -1.26 -4.79 119.74 115.78 1gg3 s LYS 145 Ca 0.32 -2.44 0.19 0.00 0.02 0.00 0.00 55.97 54.07 1gg3 s LYS 145 Cb -0.11 -4.64 -0.24 0.00 -0.52 0.00 0.00 37.83 32.32 1gg3 s LYS 145 CO 0.25 -1.45 0.45 1.28 -0.92 0.00 0.00 175.35 174.96 1gg3 n LEU 146 N 4.55 0.25 -3.72 3.17 4.77 -1.26 -4.86 117.00 119.90 1gg3 n LEU 146 Ca 0.20 0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 56.15 1gg3 n LEU 146 Cb 0.46 0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 41.65 1gg3 n LEU 146 CO 0.43 0.20 0.10 0.00 -1.33 0.00 0.00 177.39 176.79 1gg3 s ALA 147 N -3.00 -0.99 0.20 -1.18 0.00 -1.26 -4.81 121.76 110.72 1gg3 s ALA 147 Ca -0.07 0.68 -0.11 0.00 0.00 0.00 0.00 51.96 52.46 1gg3 s ALA 147 Cb 0.10 -0.12 0.26 0.00 0.00 0.00 0.00 23.12 23.36 1gg3 s ALA 147 CO 0.85 -0.26 1.71 -1.00 0.00 0.00 0.00 175.76 177.06 1gg3 h PRO 148 N 4.13 0.27 0.08 0.00 0.13 -1.71 -3.12 132.00 131.78 1gg3 h PRO 148 Ca -0.29 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1gg3 h PRO 148 Cb 1.17 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1gg3 h PRO 148 CO 0.36 0.18 -0.04 -2.95 -0.23 0.00 0.00 178.00 175.32 1gg3 h ASN 149 N 0.27 -0.09 -3.80 1.44 -1.07 -1.93 -3.50 115.58 106.90 1gg3 h ASN 149 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.67 1gg3 h ASN 149 Cb 0.42 0.02 0.00 0.00 -2.07 0.00 0.00 38.32 36.69 1gg3 h ASN 149 CO -0.37 0.08 -0.23 0.00 0.07 0.00 0.00 177.43 176.99 1gg3 n GLN 150 N -3.11 -0.96 -4.33 4.14 1.13 -1.18 -5.07 117.38 107.99 1gg3 n GLN 150 Ca -0.01 1.15 -0.32 0.00 -1.94 0.00 0.00 57.00 55.87 1gg3 n GLN 150 Cb 0.04 -2.87 -0.09 0.00 0.11 0.00 0.00 30.24 27.43 1gg3 n GLN 150 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1gg3 s THR 151 N -1.30 4.00 0.27 5.09 -4.23 -1.26 -5.02 115.64 113.20 1gg3 s THR 151 Ca 0.06 -0.66 0.01 0.00 -1.18 0.00 0.00 61.69 59.92 1gg3 s THR 151 Cb -0.02 -2.78 0.27 0.00 1.34 0.00 0.00 72.50 71.32 1gg3 s THR 151 CO 0.28 0.37 1.70 0.11 -0.54 0.00 0.00 174.62 176.54 1gg3 h LYS 152 N 4.37 0.36 -0.84 3.99 6.56 -1.99 0.51 116.57 129.52 1gg3 h LYS 152 Ca -0.49 -0.02 0.15 0.00 -1.06 0.00 0.00 60.65 59.23 1gg3 h LYS 152 Cb 1.17 -0.08 -0.06 0.00 -0.57 0.00 0.00 32.23 32.69 1gg3 h LYS 152 CO 0.56 0.24 0.55 1.49 -2.06 0.00 0.00 179.45 180.24 1gg3 h GLU 153 N 0.38 0.54 -0.19 3.15 4.81 -2.00 0.63 114.58 121.89 1gg3 h GLU 153 Ca 0.51 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.51 1gg3 h GLU 153 Cb 0.92 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1gg3 h GLU 153 CO -0.51 0.35 -0.67 1.25 -0.73 0.00 0.00 179.01 178.70 1gg3 h LEU 154 N 0.55 0.85 -0.58 1.64 6.46 -0.42 -3.15 115.31 120.67 1gg3 h LEU 154 Ca 0.42 -0.51 -0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1gg3 h LEU 154 Cb 0.83 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 1gg3 h LEU 154 CO -0.17 1.29 0.35 -0.33 -0.62 0.00 0.00 178.44 178.96 1gg3 h GLU 155 N 0.53 0.78 -0.15 1.25 5.08 -0.14 -2.66 114.58 119.27 1gg3 h GLU 155 Ca -0.02 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1gg3 h GLU 155 Cb 1.27 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 1gg3 h GLU 155 CO 0.14 0.56 -0.16 0.93 -1.00 0.00 0.00 179.01 179.48 1gg3 h GLU 156 N 0.78 -0.19 -0.75 2.33 4.39 -1.19 0.07 114.58 120.03 1gg3 h GLU 156 Ca 0.21 0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.00 1gg3 h GLU 156 Cb -0.02 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 1gg3 h GLU 156 CO -0.04 -0.12 0.49 -0.22 -1.16 0.00 0.00 179.01 177.96 1gg3 h LYS 157 N -0.19 0.71 0.48 2.33 1.63 -1.49 0.20 116.57 120.24 1gg3 h LYS 157 Ca 0.10 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 1gg3 h LYS 157 Cb 0.34 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1gg3 h LYS 157 CO -0.27 0.47 -0.23 0.28 -3.45 0.00 0.00 179.45 176.25 1gg3 h VAL 158 N 0.73 0.00 -1.05 2.00 2.07 -0.89 -0.65 116.25 118.47 1gg3 h VAL 158 Ca 0.33 -0.23 0.27 0.00 0.82 0.00 0.00 66.70 67.90 1gg3 h VAL 158 Cb 0.34 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.03 1gg3 h VAL 158 CO -0.12 0.00 0.68 0.24 0.02 0.00 0.00 177.57 178.39 1gg3 h MET 159 N -0.88 0.34 0.28 1.57 2.86 -0.68 0.74 114.93 119.16 1gg3 h MET 159 Ca -0.07 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1gg3 h MET 159 Cb 0.50 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1gg3 h MET 159 CO 0.11 0.23 -0.13 1.49 1.06 0.00 0.00 176.91 179.66 1gg3 h GLU 160 N 0.35 -0.36 -0.54 1.72 4.81 -0.47 -2.07 114.58 118.02 1gg3 h GLU 160 Ca 0.59 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.75 1gg3 h GLU 160 Cb 1.57 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 31.01 1gg3 h GLU 160 CO -0.26 -0.22 -0.01 -0.07 -0.73 0.00 0.00 179.01 177.71 1gg3 h LEU 161 N -0.39 0.94 -0.88 1.64 3.38 0.13 -3.06 115.31 117.08 1gg3 h LEU 161 Ca -0.04 -0.31 0.09 0.00 0.09 0.00 0.00 57.88 57.71 1gg3 h LEU 161 Cb 0.30 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 1gg3 h LEU 161 CO 0.06 1.02 0.53 -0.74 0.09 0.00 0.00 178.44 179.40 1gg3 h HIS 162 N 0.84 0.96 -0.57 1.13 2.76 0.38 -2.01 115.15 118.64 1gg3 h HIS 162 Ca 0.15 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.30 1gg3 h HIS 162 Cb 0.55 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.18 1gg3 h HIS 162 CO 0.04 0.42 0.16 0.87 -1.30 0.00 0.00 177.93 178.12 1gg3 h LYS 163 N 0.90 0.87 0.00 5.26 1.57 -1.27 -1.99 116.57 121.90 1gg3 h LYS 163 Ca 0.41 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1gg3 h LYS 163 Cb 0.33 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1gg3 h LYS 163 CO -0.23 0.77 0.00 -1.13 -0.57 0.00 0.00 179.45 178.29 1gg3 n SER 164 N -4.28 0.59 -4.59 0.86 3.41 -0.78 -4.53 113.62 104.31 1gg3 n SER 164 Ca 0.04 0.64 -0.42 0.00 -0.26 0.00 0.00 58.87 58.87 1gg3 n SER 164 Cb 0.22 -0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 63.34 1gg3 n SER 164 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1gg3 s TYR 165 N -3.26 3.17 -0.02 7.33 4.12 -0.75 -5.02 117.35 122.92 1gg3 s TYR 165 Ca 0.05 0.51 0.01 0.00 0.02 0.00 0.00 57.07 57.66 1gg3 s TYR 165 Cb 0.10 -3.15 0.01 0.00 -1.52 0.00 0.00 41.96 37.39 1gg3 s TYR 165 CO 0.40 -0.60 -0.03 1.03 0.02 0.00 0.00 175.55 176.37 1gg3 s ARG 166 N 2.78 0.45 -0.60 -0.62 1.81 -1.26 -4.25 118.95 117.26 1gg3 s ARG 166 Ca 0.27 -0.09 0.00 0.00 -1.72 0.00 0.00 55.73 54.19 1gg3 s ARG 166 Cb -0.14 -0.50 0.00 0.00 -0.45 0.00 0.00 34.95 33.86 1gg3 s ARG 166 CO 0.14 -0.00 0.00 -1.13 -0.68 0.00 0.00 175.30 173.63 1gg3 n SER 167 N 3.51 -4.76 -4.64 0.23 3.41 -1.26 -4.95 113.62 105.16 1gg3 n SER 167 Ca -0.19 0.14 -0.43 0.00 -0.26 0.00 0.00 58.87 58.13 1gg3 n SER 167 Cb 0.54 -2.76 -0.02 0.00 -0.26 0.00 0.00 64.21 61.72 1gg3 n SER 167 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1gg3 s MET 168 N -2.05 4.00 0.73 4.33 0.00 -1.26 -5.02 119.30 120.03 1gg3 s MET 168 Ca 0.00 1.27 -0.11 0.00 0.00 0.00 0.00 55.69 56.85 1gg3 s MET 168 Cb 0.00 -3.83 0.03 0.00 0.00 0.00 0.00 34.83 31.03 1gg3 s MET 168 CO 0.00 -1.01 1.07 0.95 0.00 0.00 0.00 175.02 176.04 1gg3 s THR 169 N 4.07 3.75 0.24 10.11 -4.23 -1.26 -4.78 115.64 123.54 1gg3 s THR 169 Ca 0.53 0.57 -0.07 0.00 -1.18 0.00 0.00 61.69 61.54 1gg3 s THR 169 Cb -0.16 -3.26 0.24 0.00 1.34 0.00 0.00 72.50 70.65 1gg3 s THR 169 CO 0.20 -0.74 1.90 -0.65 -0.54 0.00 0.00 174.62 174.79 1gg3 h PRO 170 N -0.86 1.29 -0.60 3.99 0.11 -1.91 -0.47 132.00 133.54 1gg3 h PRO 170 Ca -0.44 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 1gg3 h PRO 170 Cb 1.22 -0.28 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 1gg3 h PRO 170 CO 0.56 0.88 0.27 0.00 -0.21 0.00 0.00 178.00 179.51 1gg3 h ALA 171 N 1.33 1.35 0.23 -0.75 0.00 -1.96 -0.55 119.26 118.90 1gg3 h ALA 171 Ca 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1gg3 h ALA 171 Cb -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1gg3 h ALA 171 CO -0.07 0.50 -0.11 1.96 0.00 0.00 0.00 179.25 181.53 1gg3 h GLN 172 N 0.85 -0.30 -1.00 0.00 4.20 -1.70 -1.18 115.11 115.98 1gg3 h GLN 172 Ca 0.21 0.02 0.20 0.00 0.06 0.00 0.00 58.65 59.14 1gg3 h GLN 172 Cb 0.12 0.07 -0.11 0.00 0.30 0.00 0.00 27.48 27.85 1gg3 h GLN 172 CO -0.02 0.01 0.61 0.00 -0.67 0.00 0.00 178.83 178.76 1gg3 h ALA 173 N 0.06 1.72 -0.20 3.87 0.00 -0.90 -0.86 119.26 122.95 1gg3 h ALA 173 Ca -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1gg3 h ALA 173 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1gg3 h ALA 173 CO 0.05 -0.11 0.02 -0.44 0.00 0.00 0.00 179.25 178.77 1gg3 h ASP 174 N 0.72 0.33 0.15 0.00 3.32 -0.83 -2.10 116.42 118.01 1gg3 h ASP 174 Ca 0.59 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 1gg3 h ASP 174 Cb 0.97 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.43 1gg3 h ASP 174 CO -0.39 0.53 -0.15 0.25 -1.72 0.00 0.00 179.24 177.76 1gg3 h LEU 175 N 0.12 0.00 -0.17 1.55 7.12 0.06 0.78 115.31 124.78 1gg3 h LEU 175 Ca 0.06 0.00 -0.23 0.00 0.13 0.00 0.00 57.88 57.84 1gg3 h LEU 175 Cb 0.34 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.48 1gg3 h LEU 175 CO 0.01 0.15 -0.92 -0.33 -0.13 0.00 0.00 178.44 177.22 1gg3 h GLU 176 N 0.00 0.52 -0.21 1.25 4.39 -1.11 -0.16 114.58 119.26 1gg3 h GLU 176 Ca -0.00 -0.52 -0.02 0.00 0.34 0.00 0.00 59.36 59.16 1gg3 h GLU 176 Cb 0.26 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1gg3 h GLU 176 CO 0.02 1.15 0.04 0.35 -1.16 0.00 0.00 179.01 179.41 1gg3 h PHE 177 N 0.31 0.36 -0.65 4.33 3.04 -0.67 -2.85 116.94 120.80 1gg3 h PHE 177 Ca -0.08 -0.05 -0.07 0.00 3.98 0.00 0.00 57.97 61.75 1gg3 h PHE 177 Cb 1.55 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 39.93 1gg3 h PHE 177 CO 0.07 0.46 0.13 -0.07 -2.02 0.00 0.00 178.31 176.88 1gg3 h LEU 178 N 0.15 1.02 -1.86 0.59 3.38 -0.83 0.50 115.31 118.27 1gg3 h LEU 178 Ca 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1gg3 h LEU 178 Cb 0.29 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1gg3 h LEU 178 CO 0.00 1.01 -0.04 -0.33 0.09 0.00 0.00 178.44 179.17 1gg3 h GLU 179 N 0.99 0.04 0.15 1.13 4.39 -1.00 0.17 114.58 120.45 1gg3 h GLU 179 Ca 0.20 -0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.64 1gg3 h GLU 179 Cb 0.40 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1gg3 h GLU 179 CO 0.01 0.08 -1.21 -0.91 -1.16 0.00 0.00 179.01 175.82 1gg3 h ASN 180 N 0.04 0.50 -0.48 1.42 2.35 -1.21 -3.31 115.58 114.89 1gg3 h ASN 180 Ca 0.01 -0.91 -0.08 0.00 -0.55 0.00 0.00 56.30 54.77 1gg3 h ASN 180 Cb 0.10 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1gg3 h ASN 180 CO 0.01 1.56 0.00 0.00 -1.65 0.00 0.00 177.43 177.34 1gg3 h ALA 181 N 0.04 0.64 -0.94 -0.83 0.00 -0.67 -2.86 119.26 114.64 1gg3 h ALA 181 Ca -0.24 -0.28 0.25 0.00 0.00 0.00 0.00 54.91 54.65 1gg3 h ALA 181 Cb 1.80 -0.18 -0.17 0.00 0.00 0.00 0.00 17.79 19.24 1gg3 h ALA 181 CO 0.13 0.44 0.04 -0.22 0.00 0.00 0.00 179.25 179.65 1gg3 h LYS 182 N 0.70 0.04 -0.39 0.00 3.64 -0.79 0.10 116.57 119.86 1gg3 h LYS 182 Ca 0.14 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 1gg3 h LYS 182 Cb 0.51 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1gg3 h LYS 182 CO 0.02 0.03 -0.18 0.87 -2.27 0.00 0.00 179.45 177.92 1gg3 h LYS 183 N 0.04 0.75 -6.56 1.90 1.57 -1.59 -3.46 116.57 109.22 1gg3 h LYS 183 Ca 0.57 -0.27 -0.59 0.00 -1.87 0.00 0.00 60.65 58.48 1gg3 h LYS 183 Cb 1.15 -0.05 0.13 0.00 0.08 0.00 0.00 32.23 33.54 1gg3 h LYS 183 CO -0.86 0.87 0.03 1.28 -0.57 0.00 0.00 179.45 180.20 1gg3 n LEU 184 N -4.14 1.99 -4.85 2.94 4.77 0.02 -4.95 117.00 112.79 1gg3 n LEU 184 Ca 0.01 1.01 -0.32 0.00 -0.03 0.00 0.00 56.01 56.68 1gg3 n LEU 184 Cb 0.40 -1.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.14 1gg3 n LEU 184 CO 0.44 -1.80 0.47 -0.94 -1.33 0.00 0.00 177.39 174.22 1gg3 s SER 185 N -0.79 6.76 0.00 -1.43 1.04 -1.26 -3.34 113.70 114.68 1gg3 s SER 185 Ca 0.63 1.34 0.00 0.00 0.48 0.00 0.00 55.95 58.40 1gg3 s SER 185 Cb -0.58 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.14 1gg3 s SER 185 CO 0.57 -0.27 0.00 0.23 0.98 0.00 0.00 173.24 174.75 1gg3 n MET 186 N -0.58 0.00 -1.68 4.02 2.00 -1.26 -4.85 117.12 114.77 1gg3 n MET 186 Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 57.70 57.28 1gg3 n MET 186 Cb 0.53 -0.19 -0.04 0.00 0.00 0.00 0.00 33.22 33.52 1gg3 n MET 186 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 1gg3 n TYR 187 N -1.90 2.33 -3.60 2.03 4.19 -1.21 -1.63 117.16 117.37 1gg3 n TYR 187 Ca 0.00 0.13 -0.22 0.00 3.31 0.00 0.00 57.90 61.12 1gg3 n TYR 187 Cb 0.00 -2.60 0.07 0.00 0.49 0.00 0.00 39.34 37.29 1gg3 n TYR 187 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1gg3 n GLY 188 N 3.82 -0.43 3.03 2.98 0.00 -1.26 -4.96 105.19 108.36 1gg3 n GLY 188 Ca 0.19 0.17 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 1gg3 n GLY 188 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gg3 s VAL 189 N -3.39 2.06 -0.45 1.61 1.01 -0.65 -4.19 120.40 116.41 1gg3 s VAL 189 Ca 0.30 -1.76 -0.29 0.00 0.00 0.00 0.00 61.98 60.23 1gg3 s VAL 189 Cb -0.14 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.97 1gg3 s VAL 189 CO 0.76 -0.21 1.28 -0.62 0.00 0.00 0.00 175.10 176.30 1gg3 s ASP 190 N 1.11 6.47 -0.24 3.32 -1.08 0.35 -4.78 116.67 121.82 1gg3 s ASP 190 Ca -0.03 0.63 -0.20 0.00 -0.52 0.00 0.00 52.55 52.43 1gg3 s ASP 190 Cb -0.19 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.70 1gg3 s ASP 190 CO -0.07 -1.36 0.63 -0.76 0.52 0.00 0.00 175.17 174.13 1gg3 s LEU 191 N 4.98 4.09 -0.17 -1.34 1.43 -1.26 -0.83 118.68 125.57 1gg3 s LEU 191 Ca 0.54 0.74 0.01 0.00 -1.03 0.00 0.00 54.13 54.40 1gg3 s LEU 191 Cb -0.10 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 43.28 1gg3 s LEU 191 CO 0.32 -0.34 -0.15 -1.00 0.23 0.00 0.00 176.35 175.41 1gg3 s HIS 192 N 2.31 2.44 0.28 0.29 3.76 -0.87 -5.01 115.29 118.49 1gg3 s HIS 192 Ca 0.27 -1.46 -0.30 0.00 -0.15 0.00 0.00 55.06 53.43 1gg3 s HIS 192 Cb -0.16 -1.72 -0.10 0.00 1.11 0.00 0.00 32.58 31.71 1gg3 s HIS 192 CO 0.09 -0.73 1.39 0.15 -0.85 0.00 0.00 174.74 174.78 1gg3 s LYS 193 N 1.40 4.30 0.00 1.40 1.02 -1.26 -1.45 119.74 125.14 1gg3 s LYS 193 Ca 0.04 2.27 0.00 0.00 0.02 0.00 0.00 55.97 58.29 1gg3 s LYS 193 Cb -0.14 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 1gg3 s LYS 193 CO -0.11 -0.34 0.00 0.00 -0.92 0.00 0.00 175.35 173.98 1gg3 n ALA 194 N 1.80 0.00 -3.26 5.17 0.00 -0.89 -4.70 120.51 118.64 1gg3 n ALA 194 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 1gg3 n ALA 194 Cb 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.79 1gg3 n ALA 194 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1gg3 s LYS 195 N 0.56 0.86 0.13 0.00 2.47 -1.09 -2.69 119.74 119.99 1gg3 s LYS 195 Ca 0.00 -0.18 0.05 0.00 -1.56 0.00 0.00 55.97 54.28 1gg3 s LYS 195 Cb 0.00 0.39 -0.04 0.00 -1.46 0.00 0.00 37.83 36.72 1gg3 s LYS 195 CO 0.00 -0.27 0.07 0.34 0.16 0.00 0.00 175.35 175.64 1gg3 s ASP 196 N -1.61 5.29 -0.94 1.43 2.15 -0.41 -0.72 116.67 121.86 1gg3 s ASP 196 Ca -0.09 -0.15 -0.24 0.00 0.43 0.00 0.00 52.55 52.49 1gg3 s ASP 196 Cb -0.02 -1.33 -0.20 0.00 -0.30 0.00 0.00 42.92 41.07 1gg3 s ASP 196 CO 0.02 0.12 2.13 0.18 -0.17 0.00 0.00 175.17 177.45 1gg3 n LEU 197 N 0.10 1.15 0.00 -1.34 4.77 -1.26 -0.51 117.00 119.92 1gg3 n LEU 197 Ca -0.09 -2.10 0.00 0.00 -0.03 0.00 0.00 56.01 53.79 1gg3 n LEU 197 Cb 0.53 -1.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 1gg3 n LEU 197 CO 0.42 -3.23 0.00 1.21 -1.33 0.00 0.00 177.39 174.46 1gg3 n GLU 198 N 8.01 0.00 -0.54 3.23 4.07 -1.26 -4.96 120.64 129.19 1gg3 n GLU 198 Ca 0.41 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.51 1gg3 n GLU 198 Cb 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.83 1gg3 n GLU 198 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1gg3 n GLY 199 N 0.00 0.80 3.68 8.31 0.00 0.33 -5.03 105.19 113.29 1gg3 n GLY 199 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1gg3 n GLY 199 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gg3 s VAL 200 N -3.10 3.63 -1.24 1.61 -7.23 -1.22 -4.84 120.40 108.02 1gg3 s VAL 200 Ca 0.00 0.97 -0.20 0.00 -1.81 0.00 0.00 61.98 60.94 1gg3 s VAL 200 Cb 0.00 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.32 1gg3 s VAL 200 CO 0.00 -0.03 1.81 -1.81 -0.31 0.00 0.00 175.10 174.77 1gg3 s ASP 201 N 2.25 6.07 0.68 4.85 1.11 -1.26 -1.29 116.67 129.08 1gg3 s ASP 201 Ca 0.66 -2.07 0.02 0.00 0.18 0.00 0.00 52.55 51.34 1gg3 s ASP 201 Cb -0.32 -2.58 0.11 0.00 1.07 0.00 0.00 42.92 41.20 1gg3 s ASP 201 CO 0.27 -1.98 0.94 0.27 1.18 0.00 0.00 175.17 175.85 1gg3 s ILE 202 N 7.09 2.17 -0.12 0.77 -5.25 -1.09 -4.84 121.20 119.92 1gg3 s ILE 202 Ca 0.60 -0.69 -0.03 0.00 -0.99 0.00 0.00 60.65 59.54 1gg3 s ILE 202 Cb 0.02 -2.48 0.04 0.00 2.95 0.00 0.00 42.46 43.00 1gg3 s ILE 202 CO 0.09 0.00 0.03 -0.63 -1.79 0.00 0.00 174.94 172.65 1gg3 s ILE 203 N -3.01 0.29 0.72 8.37 1.01 -0.92 -2.09 121.20 125.56 1gg3 s ILE 203 Ca 0.65 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 61.08 1gg3 s ILE 203 Cb -0.06 -0.65 0.02 0.00 0.01 0.00 0.00 42.46 41.78 1gg3 s ILE 203 CO 0.43 0.01 1.09 -0.76 0.00 0.00 0.00 174.94 175.71 1gg3 s LEU 204 N 1.99 2.87 -0.18 2.97 1.43 -0.53 -0.99 118.68 126.25 1gg3 s LEU 204 Ca 0.03 1.18 -0.13 0.00 -1.03 0.00 0.00 54.13 54.17 1gg3 s LEU 204 Cb -0.14 -3.96 0.05 0.00 0.03 0.00 0.00 46.19 42.17 1gg3 s LEU 204 CO -0.06 -1.42 0.45 -0.83 0.23 0.00 0.00 176.35 174.71 1gg3 s GLY 205 N -4.27 -0.35 0.07 -3.19 0.00 0.10 -2.05 107.32 97.63 1gg3 s GLY 205 Ca 0.58 1.43 0.07 0.00 0.00 0.00 0.00 44.72 46.80 1gg3 s GLY 205 CO 0.52 1.39 -0.14 0.14 0.00 0.00 0.00 173.10 175.01 1gg3 s VAL 206 N 0.76 3.08 -0.01 1.40 1.01 -0.01 -1.32 120.40 125.31 1gg3 s VAL 206 Ca -0.04 -1.20 -0.29 0.00 0.00 0.00 0.00 61.98 60.44 1gg3 s VAL 206 Cb -0.05 -2.36 0.11 0.00 0.00 0.00 0.00 36.38 34.07 1gg3 s VAL 206 CO -0.06 0.24 1.28 0.00 0.00 0.00 0.00 175.10 176.57 1gg3 h SER 208 N 2.00 0.34 0.93 0.00 4.64 -1.85 -2.54 113.55 117.06 1gg3 h SER 208 Ca -0.28 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 1gg3 h SER 208 Cb 1.20 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1gg3 h SER 208 CO 0.30 0.17 -0.49 0.28 -0.87 0.00 0.00 176.83 176.23 1gg3 h SER 209 N 0.36 -1.18 0.00 4.97 0.02 -1.95 -3.45 113.55 112.32 1gg3 h SER 209 Ca 0.35 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1gg3 h SER 209 Cb 0.87 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1gg3 h SER 209 CO -0.10 -0.80 0.00 0.61 -1.14 0.00 0.00 176.83 175.40 1gg3 n GLY 210 N -1.66 -0.52 3.71 -3.77 0.00 -0.96 -2.42 105.19 99.57 1gg3 n GLY 210 Ca -0.16 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 1gg3 n GLY 210 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gg3 s LEU 211 N 0.00 4.27 -0.04 0.99 0.20 -0.31 -3.36 118.68 120.42 1gg3 s LEU 211 Ca 0.00 0.93 0.07 0.00 0.69 0.00 0.00 54.13 55.81 1gg3 s LEU 211 Cb 0.00 -2.84 -0.02 0.00 -0.43 0.00 0.00 46.19 42.91 1gg3 s LEU 211 CO 0.00 -0.07 -0.25 -0.76 -0.29 0.00 0.00 176.35 174.98 1gg3 s LEU 212 N 0.86 2.12 -0.02 -0.68 1.43 -0.44 0.94 118.68 122.89 1gg3 s LEU 212 Ca 0.30 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1gg3 s LEU 212 Cb -0.16 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 1gg3 s LEU 212 CO 0.13 0.28 -0.02 -0.69 0.23 0.00 0.00 176.35 176.28 1gg3 s VAL 213 N -0.39 4.02 0.25 -1.59 1.01 -1.14 0.02 120.40 122.58 1gg3 s VAL 213 Ca 0.03 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1gg3 s VAL 213 Cb -0.12 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1gg3 s VAL 213 CO 0.01 0.43 0.07 -0.31 0.00 0.00 0.00 175.10 175.30 1gg3 s TYR 214 N -1.02 1.51 -0.33 5.22 2.02 -0.16 -2.51 117.35 122.09 1gg3 s TYR 214 Ca 0.18 -1.13 -0.05 0.00 -0.37 0.00 0.00 57.07 55.70 1gg3 s TYR 214 Cb -0.11 -0.89 0.19 0.00 -0.40 0.00 0.00 41.96 40.74 1gg3 s TYR 214 CO 0.08 -0.28 0.92 0.21 -1.57 0.00 0.00 175.55 174.91 1gg3 s LYS 215 N -4.00 0.33 0.00 -0.62 2.20 -1.20 -2.16 119.74 114.29 1gg3 s LYS 215 Ca 0.35 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 1gg3 s LYS 215 Cb 0.07 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 1gg3 s LYS 215 CO 0.12 -0.52 0.00 -0.25 -0.36 0.00 0.00 175.35 174.33 1gg3 n ASP 216 N 4.39 0.00 0.00 1.43 8.00 -1.26 -3.66 116.55 125.45 1gg3 n ASP 216 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1gg3 n ASP 216 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1gg3 n ASP 216 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1gg3 n LYS 217 N 0.00 0.00 0.00 -1.24 4.76 -1.26 -5.13 118.16 115.28 1gg3 n LYS 217 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1gg3 n LYS 217 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1gg3 n LYS 217 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1gg3 n LEU 218 N -0.75 0.00 -1.87 -0.35 7.99 -1.24 -4.59 117.00 116.19 1gg3 n LEU 218 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.96 1gg3 n LEU 218 Cb 0.00 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.25 1gg3 n LEU 218 CO 0.00 0.00 1.04 0.54 -1.51 0.00 0.00 177.39 177.46 1gg3 n ARG 219 N 0.00 1.12 0.00 3.23 1.74 -1.26 -3.27 116.66 118.22 1gg3 n ARG 219 Ca 0.00 -0.36 0.00 0.00 -0.77 0.00 0.00 57.85 56.72 1gg3 n ARG 219 Cb 0.00 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 1gg3 n ARG 219 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1gg3 n ILE 220 N 2.11 0.00 -4.05 0.55 5.41 -1.04 -4.40 119.36 117.93 1gg3 n ILE 220 Ca 0.16 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.77 1gg3 n ILE 220 Cb 0.53 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.42 1gg3 n ILE 220 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1gg3 s ASN 221 N -2.98 0.72 -0.29 4.38 3.84 -1.22 -4.98 114.94 114.41 1gg3 s ASN 221 Ca 0.00 -1.40 -0.03 0.00 0.21 0.00 0.00 52.86 51.64 1gg3 s ASN 221 Cb 0.00 0.67 0.19 0.00 -0.55 0.00 0.00 41.25 41.56 1gg3 s ASN 221 CO 0.00 -1.32 0.82 -0.60 -2.79 0.00 0.00 177.10 173.21 1gg3 s ARG 222 N -3.08 0.35 -0.78 0.43 3.52 -1.26 -2.87 118.95 115.26 1gg3 s ARG 222 Ca 0.28 0.35 -0.16 0.00 -0.13 0.00 0.00 55.73 56.08 1gg3 s ARG 222 Cb -0.01 0.16 0.18 0.00 -1.56 0.00 0.00 34.95 33.72 1gg3 s ARG 222 CO 0.18 -0.65 0.78 -0.06 -0.81 0.00 0.00 175.30 174.74 1gg3 s PHE 223 N 2.89 3.52 0.38 5.12 0.40 0.27 -4.91 117.98 125.65 1gg3 s PHE 223 Ca 0.19 -1.70 -0.27 0.00 -0.60 0.00 0.00 56.93 54.55 1gg3 s PHE 223 Cb -0.06 -3.91 -0.11 0.00 0.51 0.00 0.00 43.02 39.45 1gg3 s PHE 223 CO -0.24 -1.10 1.24 -2.30 0.70 0.00 0.00 175.22 173.51 1gg3 n PRO 224 N 4.79 1.93 0.10 0.24 -0.02 -1.26 -1.17 135.00 139.61 1gg3 n PRO 224 Ca 0.09 0.68 -0.14 0.00 -2.02 0.00 0.00 63.50 62.11 1gg3 n PRO 224 Cb 0.46 -2.29 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 1gg3 n PRO 224 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 1gg3 h TRP 225 N 2.25 -1.35 0.00 6.00 4.06 -1.78 0.42 115.95 125.55 1gg3 h TRP 225 Ca -0.46 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.52 1gg3 h TRP 225 Cb 1.30 0.57 0.00 0.00 -1.00 0.00 0.00 29.16 30.03 1gg3 h TRP 225 CO 0.49 -0.53 0.00 -2.30 -3.56 0.00 0.00 178.44 172.54 1gg3 n PRO 226 N -5.10 0.01 -0.83 0.49 -0.02 -1.26 0.55 135.00 128.84 1gg3 n PRO 226 Ca -0.07 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.39 1gg3 n PRO 226 Cb 0.36 -1.43 0.27 0.00 -0.02 0.00 0.00 33.50 32.68 1gg3 n PRO 226 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1gg3 n LYS 227 N -0.93 3.10 -4.09 -0.52 3.00 0.14 -4.91 118.16 113.94 1gg3 n LYS 227 Ca 0.00 -3.04 -0.23 0.00 -0.00 0.00 0.00 58.31 55.04 1gg3 n LYS 227 Cb 0.00 -2.04 -0.17 0.00 0.00 0.00 0.00 35.03 32.83 1gg3 n LYS 227 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1gg3 s VAL 228 N -3.01 0.74 -0.46 3.15 1.01 0.19 -4.57 120.40 117.45 1gg3 s VAL 228 Ca 0.50 -0.18 0.17 0.00 0.00 0.00 0.00 61.98 62.46 1gg3 s VAL 228 Cb 0.41 -0.77 -0.21 0.00 0.00 0.00 0.00 36.38 35.81 1gg3 s VAL 228 CO 0.09 0.29 0.56 0.18 0.00 0.00 0.00 175.10 176.23 1gg3 n LEU 229 N 4.47 0.45 -3.60 3.92 4.77 -0.76 -5.02 117.00 121.21 1gg3 n LEU 229 Ca -0.17 -0.29 -0.12 0.00 -0.03 0.00 0.00 56.01 55.40 1gg3 n LEU 229 Cb 0.51 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1gg3 n LEU 229 CO 0.19 0.11 0.62 -0.75 -1.33 0.00 0.00 177.39 176.23 1gg3 s LYS 230 N -2.82 0.70 -0.03 3.23 2.20 -1.15 -5.00 119.74 116.87 1gg3 s LYS 230 Ca 0.01 0.54 0.02 0.00 -0.36 0.00 0.00 55.97 56.19 1gg3 s LYS 230 Cb 0.12 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.78 1gg3 s LYS 230 CO 0.69 -0.14 -0.09 0.42 -0.36 0.00 0.00 175.35 175.86 1gg3 s ILE 231 N -0.26 0.81 0.26 5.43 1.01 -1.26 -1.44 121.20 125.75 1gg3 s ILE 231 Ca -0.01 -0.37 -0.22 0.00 0.00 0.00 0.00 60.65 60.06 1gg3 s ILE 231 Cb -0.03 -0.72 0.03 0.00 0.01 0.00 0.00 42.46 41.74 1gg3 s ILE 231 CO -0.00 0.25 0.76 -0.94 0.00 0.00 0.00 174.94 175.01 1gg3 s SER 232 N 0.23 -0.24 0.05 3.58 1.04 0.54 -5.00 113.70 113.90 1gg3 s SER 232 Ca -0.04 -0.59 -0.15 0.00 0.48 0.00 0.00 55.95 55.66 1gg3 s SER 232 Cb -0.09 0.69 0.02 0.00 0.10 0.00 0.00 66.02 66.75 1gg3 s SER 232 CO 0.01 -1.29 0.33 -0.72 0.98 0.00 0.00 173.24 172.55 1gg3 s TYR 233 N -3.79 -0.14 -0.16 5.02 1.13 -1.26 0.12 117.35 118.28 1gg3 s TYR 233 Ca 0.11 -0.01 -0.04 0.00 -1.41 0.00 0.00 57.07 55.73 1gg3 s TYR 233 Cb -0.05 0.13 0.08 0.00 -1.10 0.00 0.00 41.96 41.01 1gg3 s TYR 233 CO 0.06 -0.54 0.23 0.21 -2.51 0.00 0.00 175.55 173.01 1gg3 s LYS 234 N -2.69 0.15 3.13 -3.49 2.36 -0.49 -4.99 119.74 113.72 1gg3 s LYS 234 Ca -0.04 0.48 0.00 0.00 -2.55 0.00 0.00 55.97 53.86 1gg3 s LYS 234 Cb -0.00 -0.58 0.00 0.00 -1.05 0.00 0.00 37.83 36.20 1gg3 s LYS 234 CO -0.04 -0.46 0.00 0.54 1.55 0.00 0.00 175.35 176.94 1gg3 n ARG 235 N 5.33 0.00 0.00 4.03 5.12 -1.26 -1.04 116.66 128.85 1gg3 n ARG 235 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 1gg3 n ARG 235 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 1gg3 n ARG 235 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1gg3 n SER 236 N -1.38 1.11 -4.42 0.55 3.41 -1.26 -4.33 113.62 107.30 1gg3 n SER 236 Ca 0.00 -1.44 -0.34 0.00 -0.26 0.00 0.00 58.87 56.83 1gg3 n SER 236 Cb 0.00 -0.36 -0.13 0.00 -0.26 0.00 0.00 64.21 63.46 1gg3 n SER 236 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1gg3 s SER 237 N 0.06 4.42 -0.07 4.04 1.04 -0.20 -0.69 113.70 122.30 1gg3 s SER 237 Ca 0.00 -0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.17 1gg3 s SER 237 Cb 0.00 -1.71 -0.03 0.00 0.10 0.00 0.00 66.02 64.37 1gg3 s SER 237 CO 0.00 0.13 0.00 0.12 0.98 0.00 0.00 173.24 174.47 1gg3 s PHE 238 N 0.58 3.14 -0.05 5.02 5.36 -0.13 -1.39 117.98 130.51 1gg3 s PHE 238 Ca -0.05 0.17 -0.02 0.00 -0.96 0.00 0.00 56.93 56.07 1gg3 s PHE 238 Cb -0.15 -1.77 0.03 0.00 -0.34 0.00 0.00 43.02 40.80 1gg3 s PHE 238 CO 0.03 0.47 0.06 -0.06 -1.46 0.00 0.00 175.22 174.25 1gg3 s PHE 239 N -0.92 0.11 -0.08 10.12 2.99 0.33 -1.89 117.98 128.63 1gg3 s PHE 239 Ca 0.14 0.20 -0.01 0.00 0.00 0.00 0.00 56.93 57.26 1gg3 s PHE 239 Cb -0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 43.02 42.36 1gg3 s PHE 239 CO 0.04 -0.22 -0.01 0.96 -0.00 0.00 0.00 175.22 175.99 1gg3 s ILE 240 N 2.16 4.20 0.01 0.64 -4.36 -1.12 -0.34 121.20 122.38 1gg3 s ILE 240 Ca 0.05 -0.29 0.00 0.00 -0.26 0.00 0.00 60.65 60.15 1gg3 s ILE 240 Cb -0.12 -2.76 -0.01 0.00 1.25 0.00 0.00 42.46 40.82 1gg3 s ILE 240 CO -0.03 0.60 -0.01 -0.54 0.24 0.00 0.00 174.94 175.19 1gg3 s LYS 241 N -0.83 0.12 0.00 0.37 1.02 -0.52 -2.27 119.74 117.62 1gg3 s LYS 241 Ca 0.13 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 55.92 1gg3 s LYS 241 Cb -0.11 0.00 0.00 0.00 -0.52 0.00 0.00 37.83 37.20 1gg3 s LYS 241 CO 0.02 -0.01 0.00 1.51 -0.92 0.00 0.00 175.35 175.95 1gg3 n ILE 242 N 2.62 0.00 -0.43 2.17 0.13 0.22 -1.83 119.36 122.23 1gg3 n ILE 242 Ca -0.16 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.49 1gg3 n ILE 242 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.38 1gg3 n ILE 242 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1gg3 n ARG 243 N -1.17 0.00 -0.02 9.51 5.12 -1.26 -4.50 116.66 124.33 1gg3 n ARG 243 Ca 0.00 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.01 1gg3 n ARG 243 Cb 0.00 -0.12 0.47 0.00 -1.16 0.00 0.00 32.46 31.66 1gg3 n ARG 243 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1gg3 n PRO 244 N 1.40 1.20 0.00 5.56 -0.02 -1.26 -4.86 135.00 137.03 1gg3 n PRO 244 Ca 0.00 -0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 1gg3 n PRO 244 Cb 0.00 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1gg3 n PRO 244 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gg3 n GLY 245 N 0.87 2.03 0.02 -1.23 0.00 -1.26 -4.60 105.19 101.02 1gg3 n GLY 245 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1gg3 n GLY 245 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1gg3 n GLU 246 N 0.00 0.00 -1.42 1.61 4.07 -1.26 -4.91 120.64 118.73 1gg3 n GLU 246 Ca 0.00 0.00 -0.48 0.00 -0.06 0.00 0.00 57.16 56.62 1gg3 n GLU 246 Cb 0.00 -0.10 -0.10 0.00 -0.06 0.00 0.00 31.44 31.18 1gg3 n GLU 246 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1gg3 n GLN 247 N -1.67 0.45 0.00 5.31 0.00 -1.26 -4.90 117.38 115.31 1gg3 n GLN 247 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 57.00 57.09 1gg3 n GLN 247 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 30.24 28.21 1gg3 n GLN 247 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1gg3 n GLU 248 N 8.21 -0.31 0.00 2.61 4.07 -1.26 -3.68 120.64 130.27 1gg3 n GLU 248 Ca 0.52 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.62 1gg3 n GLU 248 Cb 0.14 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.52 1gg3 n GLU 248 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1gg3 n GLN 249 N -0.92 0.00 -1.50 5.31 1.13 -1.26 -4.82 117.38 115.33 1gg3 n GLN 249 Ca 0.00 0.00 -0.49 0.00 -1.94 0.00 0.00 57.00 54.57 1gg3 n GLN 249 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 1gg3 n GLN 249 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1gg3 n TYR 250 N 0.00 0.49 -2.96 1.08 4.02 -1.24 -4.93 117.16 113.62 1gg3 n TYR 250 Ca 0.00 0.86 -0.15 0.00 -0.01 0.00 0.00 57.90 58.60 1gg3 n TYR 250 Cb 0.00 -2.12 0.01 0.00 -0.02 0.00 0.00 39.34 37.21 1gg3 n TYR 250 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1gg3 n GLU 251 N 1.24 0.84 -0.80 -0.72 1.02 -1.26 -4.23 120.64 116.72 1gg3 n GLU 251 Ca 0.16 -2.54 -0.35 0.00 -0.02 0.00 0.00 57.16 54.41 1gg3 n GLU 251 Cb 0.23 -1.35 0.12 0.00 -0.02 0.00 0.00 31.44 30.42 1gg3 n GLU 251 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1gg3 n SER 252 N 1.05 -2.69 -3.27 1.62 2.88 -1.26 -4.29 113.62 107.67 1gg3 n SER 252 Ca 0.15 -0.06 -0.07 0.00 -1.33 0.00 0.00 58.87 57.56 1gg3 n SER 252 Cb 0.62 -0.79 -0.04 0.00 -0.75 0.00 0.00 64.21 63.25 1gg3 n SER 252 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1gg3 s THR 253 N -2.15 -0.70 0.36 2.46 2.01 -1.26 -0.61 115.64 115.74 1gg3 s THR 253 Ca 0.48 -0.41 -0.25 0.00 0.31 0.00 0.00 61.69 61.82 1gg3 s THR 253 Cb -0.04 -0.43 -0.10 0.00 0.01 0.00 0.00 72.50 71.94 1gg3 s THR 253 CO 0.66 -0.25 0.97 -0.63 -0.69 0.00 0.00 174.62 174.68 1gg3 s ILE 254 N 1.83 4.12 0.09 1.82 1.09 -0.96 -4.92 121.20 124.27 1gg3 s ILE 254 Ca 0.15 1.65 0.06 0.00 -1.10 0.00 0.00 60.65 61.41 1gg3 s ILE 254 Cb -0.10 -3.86 -0.03 0.00 -1.06 0.00 0.00 42.46 37.41 1gg3 s ILE 254 CO -0.09 0.04 -0.15 -0.83 -0.10 0.00 0.00 174.94 173.80 1gg3 s GLY 255 N -1.69 0.98 0.13 6.18 0.00 -1.26 -2.81 107.32 108.85 1gg3 s GLY 255 Ca 0.54 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1gg3 s GLY 255 CO 0.23 -1.17 0.02 -1.36 0.00 0.00 0.00 173.10 170.82 1gg3 s PHE 256 N -1.58 0.94 -0.18 1.90 0.40 -0.79 -3.99 117.98 114.66 1gg3 s PHE 256 Ca 0.03 -1.12 0.00 0.00 -0.60 0.00 0.00 56.93 55.24 1gg3 s PHE 256 Cb -0.08 -0.54 0.04 0.00 0.51 0.00 0.00 43.02 42.95 1gg3 s PHE 256 CO 0.03 -0.37 -0.07 -1.59 0.70 0.00 0.00 175.22 173.91 1gg3 s LYS 257 N -3.97 1.70 0.51 0.44 0.00 0.10 -0.95 119.74 117.57 1gg3 s LYS 257 Ca 0.21 -0.68 -0.05 0.00 0.00 0.00 0.00 55.97 55.44 1gg3 s LYS 257 Cb 0.07 -2.22 -0.02 0.00 0.00 0.00 0.00 37.83 35.66 1gg3 s LYS 257 CO 0.00 -0.44 0.81 -0.51 0.00 0.00 0.00 175.35 175.22 1gg3 s LEU 258 N 1.52 3.52 0.40 2.77 1.02 0.13 -2.66 118.68 125.38 1gg3 s LEU 258 Ca -0.00 0.83 0.16 0.00 0.02 0.00 0.00 54.13 55.14 1gg3 s LEU 258 Cb -0.16 -3.75 1.05 0.00 0.02 0.00 0.00 46.19 43.35 1gg3 s LEU 258 CO -0.08 -0.72 1.81 -0.65 0.02 0.00 0.00 176.35 176.73 1gg3 h PRO 259 N 0.12 0.44 -4.24 1.29 0.11 -1.86 -3.44 132.00 124.42 1gg3 h PRO 259 Ca -0.46 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 65.35 1gg3 h PRO 259 Cb 1.22 -0.10 -0.10 0.00 0.11 0.00 0.00 31.00 32.13 1gg3 h PRO 259 CO 0.61 0.29 -0.28 -1.54 -0.21 0.00 0.00 178.00 176.87 1gg3 s SER 260 N -5.45 0.79 0.44 -2.05 1.04 -1.26 -4.97 113.70 102.24 1gg3 s SER 260 Ca -0.09 -1.44 0.24 0.00 0.48 0.00 0.00 55.95 55.15 1gg3 s SER 260 Cb 0.24 0.60 0.63 0.00 0.10 0.00 0.00 66.02 67.58 1gg3 s SER 260 CO 0.79 -1.18 1.71 0.10 0.98 0.00 0.00 173.24 175.64 1gg3 h TYR 261 N 2.20 0.00 0.45 5.02 -0.00 -1.87 -2.02 116.97 120.76 1gg3 h TYR 261 Ca -0.28 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.42 1gg3 h TYR 261 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.98 1gg3 h TYR 261 CO 1.21 0.11 -0.22 -0.09 -0.00 0.00 0.00 178.16 179.17 1gg3 h ARG 262 N 0.00 -0.59 -0.32 0.10 2.43 -1.95 0.40 114.38 114.45 1gg3 h ARG 262 Ca -0.00 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1gg3 h ARG 262 Cb 0.91 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.52 1gg3 h ARG 262 CO 0.01 -0.28 -0.13 0.00 -1.51 0.00 0.00 179.97 178.06 1gg3 h ALA 263 N -0.55 0.14 -0.45 2.80 0.00 -1.91 0.62 119.26 119.90 1gg3 h ALA 263 Ca -0.06 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1gg3 h ALA 263 Cb 0.58 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1gg3 h ALA 263 CO 0.10 -0.51 0.21 0.00 0.00 0.00 0.00 179.25 179.05 1gg3 h ALA 264 N 1.20 0.59 -0.35 0.00 0.00 -1.31 0.29 119.26 119.69 1gg3 h ALA 264 Ca 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1gg3 h ALA 264 Cb 0.32 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1gg3 h ALA 264 CO -0.37 0.16 0.02 -0.22 0.00 0.00 0.00 179.25 178.85 1gg3 h LYS 265 N 0.59 0.53 0.88 0.00 3.64 0.20 0.33 116.57 122.74 1gg3 h LYS 265 Ca 0.15 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1gg3 h LYS 265 Cb 0.14 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1gg3 h LYS 265 CO -0.02 0.54 -0.42 -0.22 -2.27 0.00 0.00 179.45 177.06 1gg3 h LYS 266 N 0.51 -1.14 -0.74 1.90 3.64 -0.27 0.21 116.57 120.68 1gg3 h LYS 266 Ca 0.11 0.08 0.07 0.00 -1.27 0.00 0.00 60.65 59.64 1gg3 h LYS 266 Cb 0.29 0.26 -0.06 0.00 -0.41 0.00 0.00 32.23 32.31 1gg3 h LYS 266 CO 0.01 -0.75 0.42 1.25 -2.27 0.00 0.00 179.45 178.10 1gg3 h LEU 267 N -1.29 0.61 -1.09 5.20 5.85 -0.76 0.67 115.31 124.49 1gg3 h LEU 267 Ca -0.12 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1gg3 h LEU 267 Cb 0.91 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 1gg3 h LEU 267 CO 0.20 0.37 0.62 -0.25 -0.34 0.00 0.00 178.44 179.04 1gg3 h TRP 268 N 0.74 1.14 0.06 1.25 7.01 -0.20 -0.34 115.95 125.61 1gg3 h TRP 268 Ca 0.34 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.37 1gg3 h TRP 268 Cb 0.26 -0.38 0.00 0.00 -2.10 0.00 0.00 29.16 26.94 1gg3 h TRP 268 CO -0.07 0.65 -0.03 -0.22 -2.79 0.00 0.00 178.44 175.98 1gg3 h LYS 269 N 1.17 -0.08 -0.03 2.65 3.64 0.15 -2.16 116.57 121.92 1gg3 h LYS 269 Ca 0.38 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.79 1gg3 h LYS 269 Cb 0.04 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1gg3 h LYS 269 CO -0.12 0.32 -0.11 0.28 -2.27 0.00 0.00 179.45 177.54 1gg3 h VAL 270 N -0.49 0.70 -0.31 2.00 2.07 -0.77 -2.35 116.25 117.10 1gg3 h VAL 270 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1gg3 h VAL 270 Cb 0.43 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 1gg3 h VAL 270 CO 0.01 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.49 1gg3 h VAL 272 N -0.05 1.02 0.13 0.00 2.07 -1.18 -1.13 116.25 117.12 1gg3 h VAL 272 Ca 0.16 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1gg3 h VAL 272 Cb 0.28 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1gg3 h VAL 272 CO -0.35 0.11 -0.06 -0.33 0.02 0.00 0.00 177.57 176.95 1gg3 h GLU 273 N 0.58 -0.17 0.06 1.57 5.08 -0.45 -2.72 114.58 118.53 1gg3 h GLU 273 Ca 0.24 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1gg3 h GLU 273 Cb 0.21 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1gg3 h GLU 273 CO -0.07 0.22 -0.17 0.45 -1.00 0.00 0.00 179.01 178.44 1gg3 h HIS 274 N -0.61 -0.44 -0.13 4.33 3.86 -0.77 0.11 115.15 121.50 1gg3 h HIS 274 Ca -0.02 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1gg3 h HIS 274 Cb 0.47 0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 1gg3 h HIS 274 CO 0.06 -0.25 0.36 1.25 0.86 0.00 0.00 177.93 180.21 1gg3 h HIS 275 N -0.31 0.00 0.00 2.45 -0.00 -1.27 0.29 115.15 116.31 1gg3 h HIS 275 Ca 0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 60.37 60.13 1gg3 h HIS 275 Cb 0.35 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.71 1gg3 h HIS 275 CO -0.19 0.00 -2.03 2.41 -0.00 0.00 0.00 177.93 178.11 1gg3 n THR 276 N -3.16 1.26 0.23 6.26 -1.04 -0.38 -4.27 114.28 113.18 1gg3 n THR 276 Ca 0.01 -0.78 0.12 0.00 -2.04 0.00 0.00 64.05 61.36 1gg3 n THR 276 Cb 0.45 -0.59 0.17 0.00 -1.82 0.00 0.00 70.33 68.54 1gg3 n THR 276 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1gg3 h PHE 277 N 0.00 0.00 -3.47 -1.42 3.57 0.12 -3.44 116.94 112.31 1gg3 h PHE 277 Ca -0.37 0.00 -0.63 0.00 3.53 0.00 0.00 57.97 60.50 1gg3 h PHE 277 Cb 1.95 0.00 -0.33 0.00 2.79 0.00 0.00 35.95 40.37 1gg3 h PHE 277 CO 0.00 0.00 -0.86 -0.06 -2.23 0.00 0.00 178.31 175.16 1gg3 s PHE 278 N -3.21 2.20 -1.15 0.41 0.40 -0.74 -5.09 117.98 110.79 1gg3 s PHE 278 Ca 0.07 -0.85 0.00 0.00 -0.60 0.00 0.00 56.93 55.55 1gg3 s PHE 278 Cb 0.06 -1.49 0.00 0.00 0.51 0.00 0.00 43.02 42.09 1gg3 s PHE 278 CO 0.67 -0.34 0.29 -2.13 0.70 0.00 0.00 175.22 174.41