#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g46 n PHE 2 N 0.00 0.96 -3.90 2.03 1.16 -1.26 -3.50 117.46 112.95 2g46 n PHE 2 Ca 0.00 -0.11 -0.32 0.00 -1.87 0.00 0.00 57.45 55.15 2g46 n PHE 2 Cb 0.00 -2.55 -0.04 0.00 -1.61 0.00 0.00 39.48 35.27 2g46 n PHE 2 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 2g46 s ASN 3 N 9.11 6.37 0.62 5.98 3.84 0.16 -4.91 114.94 136.12 2g46 s ASN 3 Ca 0.85 0.33 0.26 0.00 0.21 0.00 0.00 52.86 54.50 2g46 s ASN 3 Cb -0.09 -1.99 1.25 0.00 -0.55 0.00 0.00 41.25 39.88 2g46 s ASN 3 CO 0.15 0.22 1.69 -0.78 -2.79 0.00 0.00 177.10 175.60 2g46 h ASP 4 N 3.52 0.00 0.00 -4.21 3.58 -2.04 -0.49 116.42 116.78 2g46 h ASP 4 Ca -0.47 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 56.67 2g46 h ASP 4 Cb 1.18 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.17 2g46 h ASP 4 CO 0.72 0.00 -2.19 0.54 -2.88 0.00 0.00 179.24 175.43 2g46 n ARG 5 N -3.27 1.12 -3.70 0.28 1.74 -1.26 -4.86 116.66 106.71 2g46 n ARG 5 Ca 0.07 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 57.02 2g46 n ARG 5 Cb 0.79 -1.45 -0.10 0.00 -1.02 0.00 0.00 32.46 30.68 2g46 n ARG 5 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2g46 s VAL 6 N -2.45 -0.01 0.29 1.55 1.01 -0.19 -3.84 120.40 116.76 2g46 s VAL 6 Ca -0.09 0.02 0.11 0.00 0.00 0.00 0.00 61.98 62.02 2g46 s VAL 6 Cb 0.05 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 2g46 s VAL 6 CO 0.72 0.01 -0.10 -0.51 0.00 0.00 0.00 175.10 175.22 2g46 s ILE 7 N 0.57 2.73 -0.18 2.22 2.07 -1.09 0.40 121.20 127.92 2g46 s ILE 7 Ca -0.03 -2.18 -0.21 0.00 -1.41 0.00 0.00 60.65 56.82 2g46 s ILE 7 Cb -0.04 -2.57 -0.03 0.00 0.13 0.00 0.00 42.46 39.95 2g46 s ILE 7 CO -0.03 -0.34 0.63 0.54 -1.91 0.00 0.00 174.94 173.83 2g46 s VAL 8 N -2.47 5.03 -0.16 4.00 0.11 -1.23 -1.07 120.40 124.61 2g46 s VAL 8 Ca 0.31 1.21 -0.08 0.00 -2.93 0.00 0.00 61.98 60.49 2g46 s VAL 8 Cb -0.04 -3.95 0.06 0.00 -1.53 0.00 0.00 36.38 30.92 2g46 s VAL 8 CO 0.17 0.13 0.37 -0.54 -3.33 0.00 0.00 175.10 171.90 2g46 s LYS 9 N 1.78 0.34 -0.61 1.54 1.02 -0.57 -4.84 119.74 118.40 2g46 s LYS 9 Ca 0.29 0.75 -0.08 0.00 0.02 0.00 0.00 55.97 56.95 2g46 s LYS 9 Cb -0.16 -0.03 0.01 0.00 -0.52 0.00 0.00 37.83 37.13 2g46 s LYS 9 CO 0.11 -0.17 0.65 1.63 -0.92 0.00 0.00 175.35 176.66 2g46 n LYS 10 N 4.35 -1.78 0.00 1.68 4.01 -1.19 -1.03 118.16 124.20 2g46 n LYS 10 Ca -0.23 1.70 0.00 0.00 -0.51 0.00 0.00 58.31 59.27 2g46 n LYS 10 Cb 0.54 -5.37 0.00 0.00 -0.51 0.00 0.00 35.03 29.70 2g46 n LYS 10 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 2g46 n SER 11 N -1.18 0.00 0.01 4.39 7.64 -1.26 -4.96 113.62 118.26 2g46 n SER 11 Ca 0.02 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.84 2g46 n SER 11 Cb 0.50 0.17 0.13 0.00 -1.01 0.00 0.00 64.21 64.01 2g46 n SER 11 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2g46 h PRO 12 N 0.00 0.49 0.00 1.43 0.11 -1.96 -3.45 132.00 128.62 2g46 h PRO 12 Ca 0.00 -0.25 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2g46 h PRO 12 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2g46 h PRO 12 CO 0.00 0.82 0.00 1.28 -0.21 0.00 0.00 178.00 179.89 2g46 n LEU 13 N -4.03 0.00 0.00 2.35 4.77 -1.26 -5.15 117.00 113.68 2g46 n LEU 13 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2g46 n LEU 13 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2g46 n LEU 13 CO 0.44 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2g46 n GLY 14 N 0.00 -0.63 2.38 -0.72 0.00 -1.26 -5.04 105.19 99.92 2g46 n GLY 14 Ca 0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 46.02 45.44 2g46 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g46 n GLY 15 N 0.00 -3.85 3.55 -0.02 0.00 -1.26 -3.97 105.19 99.64 2g46 n GLY 15 Ca 0.00 0.28 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 2g46 n GLY 15 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2g46 n TYR 16 N 0.49 1.22 -4.64 1.61 4.01 -1.26 -3.18 117.16 115.41 2g46 n TYR 16 Ca 0.00 0.05 -0.29 0.00 -0.16 0.00 0.00 57.90 57.51 2g46 n TYR 16 Cb 0.01 -2.55 -0.10 0.00 -0.31 0.00 0.00 39.34 36.39 2g46 n TYR 16 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2g46 s GLY 17 N 11.07 2.60 0.01 2.72 0.00 -0.19 -4.47 107.32 119.06 2g46 s GLY 17 Ca 0.98 -1.94 -0.15 0.00 0.00 0.00 0.00 44.72 43.62 2g46 s GLY 17 CO 0.19 -2.11 0.42 0.14 0.00 0.00 0.00 173.10 171.74 2g46 s VAL 18 N -2.76 5.01 -0.15 1.40 1.01 -1.07 -1.51 120.40 122.34 2g46 s VAL 18 Ca 0.30 0.83 -0.05 0.00 0.00 0.00 0.00 61.98 63.06 2g46 s VAL 18 Cb 0.08 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2g46 s VAL 18 CO 0.15 0.55 0.02 -0.36 0.00 0.00 0.00 175.10 175.47 2g46 s PHE 19 N -1.11 3.19 -0.98 5.22 0.40 -0.23 0.37 117.98 124.83 2g46 s PHE 19 Ca 0.25 0.03 -0.18 0.00 -0.60 0.00 0.00 56.93 56.42 2g46 s PHE 19 Cb -0.17 -1.97 0.13 0.00 0.51 0.00 0.00 43.02 41.52 2g46 s PHE 19 CO 0.14 0.21 1.21 0.00 0.70 0.00 0.00 175.22 177.48 2g46 s ALA 20 N -0.01 3.39 -0.37 5.36 0.00 0.10 -2.68 121.76 127.56 2g46 s ALA 20 Ca 0.04 -2.80 0.24 0.00 0.00 0.00 0.00 51.96 49.44 2g46 s ALA 20 Cb -0.13 -4.12 1.07 0.00 0.00 0.00 0.00 23.12 19.94 2g46 s ALA 20 CO 0.02 -3.02 1.72 -0.09 0.00 0.00 0.00 175.76 174.38 2g46 h ARG 21 N 8.68 0.00 0.00 0.00 2.43 -1.67 -2.95 114.38 120.87 2g46 h ARG 21 Ca 0.19 0.00 -0.42 0.00 -0.81 0.00 0.00 59.98 58.94 2g46 h ARG 21 Cb 1.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 2g46 h ARG 21 CO 1.16 0.00 -0.16 1.63 -1.51 0.00 0.00 179.97 181.09 2g46 n LYS 22 N -2.30 0.81 0.00 0.20 5.02 -1.25 -4.18 118.16 116.46 2g46 n LYS 22 Ca 0.01 -2.58 0.00 0.00 -2.02 0.00 0.00 58.31 53.72 2g46 n LYS 22 Cb 0.18 0.14 0.00 0.00 -0.02 0.00 0.00 35.03 35.33 2g46 n LYS 22 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2g46 n SER 23 N -2.06 0.00 -4.56 4.39 2.88 0.22 -1.27 113.62 113.23 2g46 n SER 23 Ca 0.03 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.32 2g46 n SER 23 Cb 0.48 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.84 2g46 n SER 23 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2g46 s PHE 24 N -2.00 2.44 0.49 0.66 0.08 -1.06 -4.98 117.98 113.61 2g46 s PHE 24 Ca 0.00 -0.44 0.05 0.00 0.12 0.00 0.00 56.93 56.66 2g46 s PHE 24 Cb 0.00 -1.34 0.05 0.00 -0.57 0.00 0.00 43.02 41.16 2g46 s PHE 24 CO 0.00 0.58 0.42 -1.91 -0.10 0.00 0.00 175.22 174.21 2g46 n GLU 25 N -0.81 0.75 -2.27 0.44 2.13 -1.26 -2.27 120.64 117.34 2g46 n GLU 25 Ca -0.05 -3.01 -0.39 0.00 0.66 0.00 0.00 57.16 54.36 2g46 n GLU 25 Cb 0.62 0.24 -0.03 0.00 0.27 0.00 0.00 31.44 32.55 2g46 n GLU 25 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2g46 s LYS 26 N -4.06 2.89 0.00 5.31 2.20 -1.26 -3.79 119.74 121.03 2g46 s LYS 26 Ca 0.32 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 2g46 s LYS 26 Cb -0.03 -4.32 0.00 0.00 -1.51 0.00 0.00 37.83 31.97 2g46 s LYS 26 CO 0.20 -2.48 0.00 0.41 -0.36 0.00 0.00 175.35 173.12 2g46 n GLY 27 N 5.60 0.69 2.83 5.54 0.00 -0.61 -4.93 105.19 114.31 2g46 n GLY 27 Ca 0.13 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 2g46 n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g46 s GLU 28 N -1.18 0.81 0.09 1.61 0.41 -1.25 -4.90 118.70 114.29 2g46 s GLU 28 Ca 0.00 -0.01 -0.31 0.00 -0.41 0.00 0.00 54.97 54.24 2g46 s GLU 28 Cb 0.00 -1.01 -0.08 0.00 -1.78 0.00 0.00 34.13 31.26 2g46 s GLU 28 CO 0.00 -0.22 1.53 -1.17 -0.49 0.00 0.00 175.26 174.91 2g46 s LEU 29 N 1.58 4.36 -0.17 1.80 1.98 -1.26 -2.66 118.68 124.30 2g46 s LEU 29 Ca -0.01 2.42 -0.17 0.00 -2.89 0.00 0.00 54.13 53.48 2g46 s LEU 29 Cb -0.13 -3.58 -0.22 0.00 0.66 0.00 0.00 46.19 42.92 2g46 s LEU 29 CO -0.04 -0.79 0.33 0.58 -1.89 0.00 0.00 176.35 174.55 2g46 h VAL 30 N 4.50 0.90 -1.76 1.68 2.07 0.13 -3.49 116.25 120.28 2g46 h VAL 30 Ca -0.42 -2.26 0.09 0.00 0.82 0.00 0.00 66.70 64.94 2g46 h VAL 30 Cb 1.20 2.42 -0.21 0.00 -1.52 0.00 0.00 31.29 33.18 2g46 h VAL 30 CO 0.91 0.53 0.54 -1.61 0.02 0.00 0.00 177.57 177.95 2g46 s GLU 31 N -2.42 0.65 -0.02 1.57 2.02 -1.24 -4.98 118.70 114.28 2g46 s GLU 31 Ca -0.25 0.02 -0.01 0.00 0.02 0.00 0.00 54.97 54.74 2g46 s GLU 31 Cb 0.05 0.30 0.01 0.00 0.10 0.00 0.00 34.13 34.60 2g46 s GLU 31 CO 0.67 -0.23 0.05 -1.83 0.02 0.00 0.00 175.26 173.94 2g46 s GLU 32 N -1.71 0.03 0.00 1.61 -1.05 -1.26 -0.25 118.70 116.07 2g46 s GLU 32 Ca 0.00 0.13 0.00 0.00 -0.15 0.00 0.00 54.97 54.95 2g46 s GLU 32 Cb -0.01 -0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.62 2g46 s GLU 32 CO -0.01 -0.06 0.00 0.00 0.95 0.00 0.00 175.26 176.13 2g46 s LEU 34 N 0.00 3.51 0.00 0.00 2.96 -1.26 -2.40 118.68 121.49 2g46 s LEU 34 Ca 0.00 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 2g46 s LEU 34 Cb 0.00 -2.69 -0.01 0.00 0.50 0.00 0.00 46.19 43.99 2g46 s LEU 34 CO 0.00 -0.91 0.14 0.00 -1.32 0.00 0.00 176.35 174.26 2g46 s ILE 36 N -2.59 1.90 -0.29 0.00 1.01 -1.07 -4.87 121.20 115.29 2g46 s ILE 36 Ca 0.16 -1.74 0.02 0.00 0.00 0.00 0.00 60.65 59.09 2g46 s ILE 36 Cb 0.01 -1.77 0.08 0.00 0.01 0.00 0.00 42.46 40.79 2g46 s ILE 36 CO 0.11 -0.12 0.01 -0.69 0.00 0.00 0.00 174.94 174.26 2g46 s VAL 37 N -1.46 1.69 0.03 2.92 1.01 -1.26 -1.18 120.40 122.15 2g46 s VAL 37 Ca 0.12 -1.69 0.02 0.00 0.00 0.00 0.00 61.98 60.43 2g46 s VAL 37 Cb -0.09 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2g46 s VAL 37 CO 0.06 -0.40 -0.08 -0.13 0.00 0.00 0.00 175.10 174.54 2g46 s ARG 38 N 1.25 0.57 1.33 2.72 1.81 0.61 -4.99 118.95 122.25 2g46 s ARG 38 Ca 0.03 -0.56 -0.20 0.00 -1.72 0.00 0.00 55.73 53.28 2g46 s ARG 38 Cb -0.19 -0.46 0.34 0.00 -0.45 0.00 0.00 34.95 34.19 2g46 s ARG 38 CO -0.11 0.11 0.98 -1.01 -0.68 0.00 0.00 175.30 174.59 2g46 s HIS 39 N -0.84 -0.06 0.00 -0.53 3.76 -1.26 -1.80 115.29 114.56 2g46 s HIS 39 Ca -0.04 0.65 0.00 0.00 -0.15 0.00 0.00 55.06 55.53 2g46 s HIS 39 Cb -0.07 -3.05 0.00 0.00 1.11 0.00 0.00 32.58 30.57 2g46 s HIS 39 CO 0.00 -4.57 0.00 0.09 -0.85 0.00 0.00 174.74 169.41 2g46 n ASN 40 N -5.33 0.00 0.00 1.40 4.13 -1.26 -4.22 115.26 109.98 2g46 n ASN 40 Ca 0.11 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.37 2g46 n ASN 40 Cb 0.59 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.83 2g46 n ASN 40 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2g46 n ASP 41 N 0.00 0.00 -0.07 6.41 -0.08 -1.26 -2.69 116.55 118.86 2g46 n ASP 41 Ca 0.00 0.00 0.25 0.00 -1.51 0.00 0.00 54.79 53.53 2g46 n ASP 41 Cb 0.00 0.00 0.62 0.00 2.34 0.00 0.00 41.12 44.08 2g46 n ASP 41 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2g46 h ASP 42 N 8.81 0.00 0.32 1.67 3.32 -1.99 -0.47 116.42 128.07 2g46 h ASP 42 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2g46 h ASP 42 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2g46 h ASP 42 CO 0.00 0.00 -0.15 -0.25 -1.72 0.00 0.00 179.24 177.12 2g46 h TRP 43 N 0.00 -0.40 -0.01 4.55 2.91 -1.73 0.22 115.95 121.50 2g46 h TRP 43 Ca 0.35 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.36 2g46 h TRP 43 Cb 1.95 0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 30.74 2g46 h TRP 43 CO 0.00 -0.05 0.02 0.78 -1.03 0.00 0.00 178.44 178.16 2g46 h GLY 44 N -0.89 0.00 0.00 2.65 0.00 -1.16 -2.09 103.07 101.59 2g46 h GLY 44 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2g46 h GLY 44 CO 0.07 0.00 -0.51 2.41 0.00 0.00 0.00 176.54 178.52 2g46 n THR 45 N -3.43 1.40 -0.09 4.70 -1.04 -0.96 -2.76 114.28 112.10 2g46 n THR 45 Ca -0.03 0.22 -0.09 0.00 -2.04 0.00 0.00 64.05 62.11 2g46 n THR 45 Cb 0.10 -2.38 -0.03 0.00 -1.82 0.00 0.00 70.33 66.20 2g46 n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g46 h ALA 46 N -1.02 -0.32 -0.61 2.41 0.00 -0.52 0.19 119.26 119.39 2g46 h ALA 46 Ca 0.00 0.07 -0.35 0.00 0.00 0.00 0.00 54.91 54.63 2g46 h ALA 46 Cb 0.51 0.75 -0.19 0.00 0.00 0.00 0.00 17.79 18.86 2g46 h ALA 46 CO 0.00 -0.80 0.45 1.28 0.00 0.00 0.00 179.25 180.18 2g46 n LEU 47 N -5.42 5.77 -3.34 0.00 7.99 -0.79 -4.81 117.00 116.41 2g46 n LEU 47 Ca -0.01 -3.03 -0.29 0.00 -0.01 0.00 0.00 56.01 52.67 2g46 n LEU 47 Cb 0.34 -0.81 -0.04 0.00 -0.11 0.00 0.00 43.42 42.80 2g46 n LEU 47 CO 0.08 0.98 2.01 -1.84 -1.51 0.00 0.00 177.39 177.12 2g46 n GLU 48 N -0.34 1.41 0.00 3.23 0.28 0.67 -2.97 120.64 122.92 2g46 n GLU 48 Ca 0.37 -1.42 0.00 0.00 -0.16 0.00 0.00 57.16 55.95 2g46 n GLU 48 Cb 1.02 -2.56 0.00 0.00 1.43 0.00 0.00 31.44 31.33 2g46 n GLU 48 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2g46 n ASP 49 N 5.89 0.00 -2.73 -1.84 -0.08 -1.26 -5.00 116.55 111.53 2g46 n ASP 49 Ca 0.40 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.48 2g46 n ASP 49 Cb 0.23 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.69 2g46 n ASP 49 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2g46 n TYR 50 N -0.74 2.39 -4.00 -0.67 4.01 -1.16 -5.04 117.16 111.96 2g46 n TYR 50 Ca 0.00 -3.31 -0.30 0.00 -0.16 0.00 0.00 57.90 54.14 2g46 n TYR 50 Cb 0.00 -0.30 -0.16 0.00 -0.31 0.00 0.00 39.34 38.57 2g46 n TYR 50 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2g46 s LEU 51 N -3.23 1.84 -0.62 7.72 1.43 -1.26 -2.68 118.68 121.88 2g46 s LEU 51 Ca 0.41 -0.61 -0.22 0.00 -1.03 0.00 0.00 54.13 52.68 2g46 s LEU 51 Cb 0.39 -1.16 0.07 0.00 0.03 0.00 0.00 46.19 45.51 2g46 s LEU 51 CO -0.10 -0.10 0.89 -0.36 0.23 0.00 0.00 176.35 176.91 2g46 s PHE 52 N 1.48 2.78 0.18 0.29 0.40 0.67 -4.75 117.98 119.03 2g46 s PHE 52 Ca 0.03 -0.52 0.02 0.00 -0.60 0.00 0.00 56.93 55.85 2g46 s PHE 52 Cb -0.14 -4.14 -0.04 0.00 0.51 0.00 0.00 43.02 39.22 2g46 s PHE 52 CO -0.10 -1.49 0.33 0.45 0.70 0.00 0.00 175.22 175.12 2g46 s SER 53 N 3.43 6.35 0.00 1.36 0.15 -1.26 -2.09 113.70 121.64 2g46 s SER 53 Ca 0.21 0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.10 2g46 s SER 53 Cb -0.17 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 2g46 s SER 53 CO 0.11 0.00 0.00 0.54 1.20 0.00 0.00 173.24 175.09 2g46 n ARG 54 N -0.71 1.95 -2.66 5.44 1.74 -0.56 -4.92 116.66 116.94 2g46 n ARG 54 Ca -0.06 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.58 2g46 n ARG 54 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 2g46 n ARG 54 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2g46 n LYS 55 N 0.00 3.25 0.00 5.56 2.85 -1.26 -2.87 118.16 125.68 2g46 n LYS 55 Ca 0.00 -3.44 0.00 0.00 -1.05 0.00 0.00 58.31 53.82 2g46 n LYS 55 Cb 0.00 -3.35 0.00 0.00 -0.65 0.00 0.00 35.03 31.03 2g46 n LYS 55 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2g46 n ASN 56 N 7.44 0.00 -0.78 -5.58 0.23 -1.26 -5.15 115.26 110.16 2g46 n ASN 56 Ca 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.50 2g46 n ASN 56 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 2g46 n ASN 56 CO 0.00 0.00 0.00 1.15 -0.93 0.00 0.00 177.26 177.48 2g46 n MET 57 N 0.00 0.00 -4.53 -3.83 0.00 -1.14 -4.98 117.12 102.63 2g46 n MET 57 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.49 2g46 n MET 57 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.07 2g46 n MET 57 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2g46 s SER 58 N -0.35 1.43 0.40 3.17 0.01 -0.75 -1.49 113.70 116.12 2g46 s SER 58 Ca 0.00 -0.22 0.04 0.00 1.31 0.00 0.00 55.95 57.08 2g46 s SER 58 Cb 0.00 -0.20 -0.06 0.00 0.21 0.00 0.00 66.02 65.98 2g46 s SER 58 CO 0.00 0.14 0.04 0.00 0.41 0.00 0.00 173.24 173.83 2g46 s ALA 59 N -0.21 3.01 0.17 1.44 0.00 -0.89 -0.29 121.76 124.99 2g46 s ALA 59 Ca 0.03 -1.77 0.10 0.00 0.00 0.00 0.00 51.96 50.33 2g46 s ALA 59 Cb -0.05 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 2g46 s ALA 59 CO -0.00 -0.20 -0.17 1.41 0.00 0.00 0.00 175.76 176.80 2g46 s MET 60 N -3.80 1.78 -0.91 0.00 1.75 -0.33 -0.24 119.30 117.55 2g46 s MET 60 Ca 0.29 -1.34 -0.19 0.00 -1.25 0.00 0.00 55.69 53.20 2g46 s MET 60 Cb 0.07 -2.03 0.12 0.00 2.84 0.00 0.00 34.83 35.83 2g46 s MET 60 CO 0.14 0.43 1.13 0.00 -0.65 0.00 0.00 175.02 176.07 2g46 s ALA 61 N -1.52 3.31 0.05 4.11 0.00 -1.09 -2.60 121.76 124.02 2g46 s ALA 61 Ca 0.21 -2.66 -0.24 0.00 0.00 0.00 0.00 51.96 49.27 2g46 s ALA 61 Cb -0.09 -4.05 -0.12 0.00 0.00 0.00 0.00 23.12 18.86 2g46 s ALA 61 CO 0.12 -2.99 1.37 1.37 0.00 0.00 0.00 175.76 175.62 2g46 h LEU 62 N 10.61 -0.91 0.00 0.00 8.10 -1.81 -3.37 115.31 127.93 2g46 h LEU 62 Ca 0.12 0.07 0.00 0.00 0.11 0.00 0.00 57.88 58.18 2g46 h LEU 62 Cb 1.03 0.30 0.00 0.00 -0.44 0.00 0.00 40.66 41.54 2g46 h LEU 62 CO 1.13 -0.45 0.00 0.61 -4.11 0.00 0.00 178.44 175.62 2g46 n GLY 63 N -1.38 -2.84 2.04 0.17 0.00 -1.16 -4.69 105.19 97.32 2g46 n GLY 63 Ca -0.08 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.84 2g46 n GLY 63 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2g46 n PHE 64 N 0.00 1.54 0.15 1.61 3.01 -1.26 -4.29 117.46 118.22 2g46 n PHE 64 Ca 0.00 -1.97 0.09 0.00 1.01 0.00 0.00 57.45 56.58 2g46 n PHE 64 Cb 0.00 -1.07 0.06 0.00 -0.01 0.00 0.00 39.48 38.46 2g46 n PHE 64 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2g46 h GLY 65 N 2.89 0.00 0.00 1.37 0.00 -1.84 -3.35 103.07 102.13 2g46 h GLY 65 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 2g46 h GLY 65 CO 0.79 0.00 -0.50 0.00 0.00 0.00 0.00 176.54 176.82 2g46 h ALA 66 N 1.87 0.02 -0.39 3.60 0.00 -1.75 -3.37 119.26 119.25 2g46 h ALA 66 Ca -0.02 -0.50 0.11 0.00 0.00 0.00 0.00 54.91 54.50 2g46 h ALA 66 Cb 1.11 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 2g46 h ALA 66 CO 0.01 0.47 0.85 -0.84 0.00 0.00 0.00 179.25 179.74 2g46 h ILE 67 N -1.00 0.06 -3.03 0.00 -0.00 -1.86 -3.42 117.51 108.26 2g46 h ILE 67 Ca -0.02 0.00 -0.57 0.00 -0.00 0.00 0.00 64.86 64.27 2g46 h ILE 67 Cb 0.51 0.24 0.19 0.00 -0.00 0.00 0.00 36.82 37.76 2g46 h ILE 67 CO -0.01 0.00 -0.52 0.49 -0.00 0.00 0.00 178.15 178.11 2g46 n PHE 68 N -3.01 -1.13 -4.11 0.16 3.72 -1.26 -4.01 117.46 107.82 2g46 n PHE 68 Ca 0.08 0.36 -0.07 0.00 -0.05 0.00 0.00 57.45 57.77 2g46 n PHE 68 Cb 0.98 -1.88 -0.01 0.00 -0.94 0.00 0.00 39.48 37.63 2g46 n PHE 68 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2g46 n ASN 69 N 0.20 2.22 -4.88 4.37 4.13 -1.26 -4.86 115.26 115.18 2g46 n ASN 69 Ca 0.10 -1.45 -0.24 0.00 1.68 0.00 0.00 54.58 54.66 2g46 n ASN 69 Cb 0.50 0.07 -0.04 0.00 -1.54 0.00 0.00 39.78 38.76 2g46 n ASN 69 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 2g46 s HIS 70 N -1.32 3.31 -0.25 3.10 2.46 -1.26 -2.85 115.29 118.48 2g46 s HIS 70 Ca 0.00 0.01 -0.26 0.00 0.47 0.00 0.00 55.06 55.29 2g46 s HIS 70 Cb -0.00 -1.55 0.08 0.00 -0.13 0.00 0.00 32.58 30.98 2g46 s HIS 70 CO 0.00 0.50 0.78 0.45 -2.47 0.00 0.00 174.74 174.01 2g46 s SER 71 N -3.45 -0.68 0.54 9.88 0.15 -1.26 -4.96 113.70 113.92 2g46 s SER 71 Ca 0.33 1.26 0.25 0.00 0.70 0.00 0.00 55.95 58.49 2g46 s SER 71 Cb -0.10 1.25 1.42 0.00 -1.71 0.00 0.00 66.02 66.89 2g46 s SER 71 CO 0.26 -0.26 2.00 0.11 1.20 0.00 0.00 173.24 176.55 2g46 h LYS 72 N 4.62 0.00 -3.23 5.44 1.57 -1.98 -3.30 116.57 119.69 2g46 h LYS 72 Ca -0.28 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.88 2g46 h LYS 72 Cb 1.16 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.07 2g46 h LYS 72 CO 0.10 0.00 -0.73 -0.51 -0.57 0.00 0.00 179.45 177.73 2g46 s ASP 73 N -6.14 3.84 -0.50 0.86 1.11 -1.26 -4.61 116.67 109.97 2g46 s ASP 73 Ca -0.05 -2.43 -0.30 0.00 0.18 0.00 0.00 52.55 49.95 2g46 s ASP 73 Cb 0.19 -1.08 -0.11 0.00 1.07 0.00 0.00 42.92 42.99 2g46 s ASP 73 CO 0.70 -0.30 2.38 -2.65 1.18 0.00 0.00 175.17 176.48 2g46 n PRO 74 N 3.81 1.00 0.17 8.23 -0.02 -1.24 -4.78 135.00 142.16 2g46 n PRO 74 Ca 0.06 0.15 0.09 0.00 -2.02 0.00 0.00 63.50 61.78 2g46 n PRO 74 Cb 0.36 -2.81 0.09 0.00 -0.02 0.00 0.00 33.50 31.12 2g46 n PRO 74 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2g46 h ASN 75 N 15.68 0.00 -3.76 2.55 2.35 -1.85 -3.45 115.58 127.08 2g46 h ASN 75 Ca -0.24 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.29 2g46 h ASN 75 Cb 1.29 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 39.38 2g46 h ASN 75 CO 1.13 0.17 -0.70 0.00 -1.65 0.00 0.00 177.43 176.38 2g46 s ALA 76 N -3.15 -0.04 0.10 -0.83 0.00 -1.26 -2.94 121.76 113.63 2g46 s ALA 76 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2g46 s ALA 76 Cb 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.17 2g46 s ALA 76 CO 0.72 -0.01 0.00 -2.13 0.00 0.00 0.00 175.76 174.34 2g46 n ARG 77 N 3.04 1.65 -4.45 0.00 0.63 -0.22 -3.67 116.66 113.64 2g46 n ARG 77 Ca -0.12 -0.73 -0.22 0.00 -0.92 0.00 0.00 57.85 55.86 2g46 n ARG 77 Cb 0.60 0.22 -0.09 0.00 0.45 0.00 0.00 32.46 33.63 2g46 n ARG 77 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 2g46 s HIS 78 N -1.42 1.78 -0.12 -0.14 -3.43 -1.26 -0.87 115.29 109.84 2g46 s HIS 78 Ca 0.00 -1.19 -0.13 0.00 -0.80 0.00 0.00 55.06 52.95 2g46 s HIS 78 Cb 0.00 -1.12 0.03 0.00 -1.43 0.00 0.00 32.58 30.06 2g46 s HIS 78 CO 0.00 -0.24 0.35 -2.00 -2.00 0.00 0.00 174.74 170.85 2g46 s GLU 79 N -3.82 0.45 -0.06 -0.38 2.12 0.89 -4.83 118.70 113.08 2g46 s GLU 79 Ca 0.31 0.40 -0.03 0.00 0.36 0.00 0.00 54.97 56.01 2g46 s GLU 79 Cb 0.05 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.62 2g46 s GLU 79 CO 0.15 -0.07 0.11 -0.51 -0.54 0.00 0.00 175.26 174.40 2g46 s LEU 80 N -0.01 4.10 -1.14 2.70 1.43 -1.26 -0.36 118.68 124.13 2g46 s LEU 80 Ca -0.02 0.29 -0.21 0.00 -1.03 0.00 0.00 54.13 53.17 2g46 s LEU 80 Cb -0.03 -2.19 0.06 0.00 0.03 0.00 0.00 46.19 44.06 2g46 s LEU 80 CO 0.01 0.33 1.57 0.42 0.23 0.00 0.00 176.35 178.92 2g46 s THR 81 N -1.11 4.02 -0.14 5.49 -4.23 -1.08 -4.61 115.64 113.97 2g46 s THR 81 Ca 0.19 -1.27 -0.04 0.00 -1.18 0.00 0.00 61.69 59.40 2g46 s THR 81 Cb -0.12 -5.12 0.01 0.00 1.34 0.00 0.00 72.50 68.62 2g46 s THR 81 CO 0.10 -1.97 0.08 0.00 -0.54 0.00 0.00 174.62 172.28 2g46 n ALA 82 N 8.65 -2.68 -0.10 3.99 0.00 -1.26 -4.42 120.51 124.69 2g46 n ALA 82 Ca 0.40 0.87 0.00 0.00 0.00 0.00 0.00 53.44 54.71 2g46 n ALA 82 Cb 0.49 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2g46 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g46 n GLY 83 N 1.55 0.21 3.17 0.00 0.00 -1.26 -4.53 105.19 104.33 2g46 n GLY 83 Ca -0.13 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 2g46 n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g46 s LEU 84 N 0.00 5.51 0.13 0.99 1.02 -1.26 -4.80 118.68 120.27 2g46 s LEU 84 Ca 0.00 -2.07 0.00 0.00 0.02 0.00 0.00 54.13 52.08 2g46 s LEU 84 Cb 0.00 -1.93 0.00 0.00 0.02 0.00 0.00 46.19 44.28 2g46 s LEU 84 CO 0.00 -0.60 0.00 0.29 0.02 0.00 0.00 176.35 176.06 2g46 n LYS 85 N 4.62 0.00 -4.33 1.70 4.76 -1.26 -4.83 118.16 118.82 2g46 n LYS 85 Ca -0.04 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.22 2g46 n LYS 85 Cb 0.41 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.51 2g46 n LYS 85 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2g46 s ARG 86 N -2.00 1.61 -0.06 1.97 0.52 -1.26 -3.08 118.95 116.65 2g46 s ARG 86 Ca 0.00 -1.92 -0.02 0.00 -0.52 0.00 0.00 55.73 53.27 2g46 s ARG 86 Cb 0.00 -0.06 0.04 0.00 0.52 0.00 0.00 34.95 35.45 2g46 s ARG 86 CO 0.00 -0.47 0.12 -1.64 0.02 0.00 0.00 175.30 173.33 2g46 s MET 87 N -3.79 0.05 -0.04 3.54 -1.94 -1.01 -2.64 119.30 113.47 2g46 s MET 87 Ca 0.36 0.37 0.04 0.00 -1.71 0.00 0.00 55.69 54.74 2g46 s MET 87 Cb 0.05 -0.22 -0.03 0.00 2.01 0.00 0.00 34.83 36.64 2g46 s MET 87 CO 0.18 -0.19 -0.15 1.03 -0.01 0.00 0.00 175.02 175.88 2g46 s ARG 88 N 1.34 2.45 -0.41 2.03 0.52 0.51 -2.27 118.95 123.13 2g46 s ARG 88 Ca -0.07 -0.73 -0.15 0.00 -0.52 0.00 0.00 55.73 54.26 2g46 s ARG 88 Cb -0.12 -2.35 0.02 0.00 0.52 0.00 0.00 34.95 33.02 2g46 s ARG 88 CO -0.05 0.61 0.30 0.42 0.02 0.00 0.00 175.30 176.60 2g46 s ILE 89 N -0.74 5.26 0.44 1.52 1.01 0.65 -0.08 121.20 129.25 2g46 s ILE 89 Ca 0.12 -0.63 0.08 0.00 0.00 0.00 0.00 60.65 60.21 2g46 s ILE 89 Cb -0.11 -3.92 -0.00 0.00 0.01 0.00 0.00 42.46 38.44 2g46 s ILE 89 CO 0.01 -0.30 0.46 -0.36 0.00 0.00 0.00 174.94 174.75 2g46 s PHE 90 N 1.69 2.57 -0.20 3.97 0.08 -0.05 0.17 117.98 126.20 2g46 s PHE 90 Ca 0.05 -0.51 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 2g46 s PHE 90 Cb -0.19 -2.21 0.01 0.00 -0.57 0.00 0.00 43.02 40.06 2g46 s PHE 90 CO 0.10 -0.30 -0.13 0.95 -0.10 0.00 0.00 175.22 175.74 2g46 s THR 91 N -2.47 2.54 -1.58 0.64 -4.23 -1.09 -1.06 115.64 108.39 2g46 s THR 91 Ca 0.50 -0.85 0.07 0.00 -1.18 0.00 0.00 61.69 60.23 2g46 s THR 91 Cb -0.05 -2.15 0.24 0.00 1.34 0.00 0.00 72.50 71.89 2g46 s THR 91 CO 0.30 0.44 1.10 2.30 -0.54 0.00 0.00 174.62 178.21 2g46 n ILE 92 N 4.67 0.54 -3.64 2.99 -5.35 -1.15 -1.58 119.36 115.84 2g46 n ILE 92 Ca -0.19 -0.38 -0.04 0.00 -0.27 0.00 0.00 62.75 61.86 2g46 n ILE 92 Cb 0.50 -0.03 -0.06 0.00 -1.74 0.00 0.00 39.64 38.30 2g46 n ILE 92 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2g46 s LYS 93 N -1.64 0.14 0.19 6.28 -2.85 -1.25 -4.88 119.74 115.73 2g46 s LYS 93 Ca 0.17 0.13 -0.31 0.00 -1.00 0.00 0.00 55.97 54.96 2g46 s LYS 93 Cb 0.11 0.07 -0.16 0.00 -2.06 0.00 0.00 37.83 35.79 2g46 s LYS 93 CO 0.09 -0.02 1.02 -2.30 0.10 0.00 0.00 175.35 174.25 2g46 n PRO 94 N 1.45 0.97 -5.00 1.78 -0.02 -1.26 -4.66 135.00 128.26 2g46 n PRO 94 Ca -0.09 0.34 -0.32 0.00 -2.02 0.00 0.00 63.50 61.42 2g46 n PRO 94 Cb 0.57 -1.74 -0.14 0.00 -0.02 0.00 0.00 33.50 32.18 2g46 n PRO 94 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2g46 s ILE 95 N -0.51 2.66 0.30 4.25 1.01 -0.96 -4.96 121.20 122.99 2g46 s ILE 95 Ca 0.69 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 2g46 s ILE 95 Cb -0.85 -2.02 -0.06 0.00 0.01 0.00 0.00 42.46 39.54 2g46 s ILE 95 CO 0.55 0.54 0.60 0.00 0.00 0.00 0.00 174.94 176.63 2g46 s ALA 96 N -0.72 3.55 0.63 9.38 0.00 -1.23 0.72 121.76 134.09 2g46 s ALA 96 Ca 0.11 -0.41 0.26 0.00 0.00 0.00 0.00 51.96 51.93 2g46 s ALA 96 Cb -0.10 -2.42 1.34 0.00 0.00 0.00 0.00 23.12 21.94 2g46 s ALA 96 CO 0.01 0.27 1.76 0.82 0.00 0.00 0.00 175.76 178.61 2g46 h ILE 97 N 1.48 0.16 -2.16 0.00 5.03 -1.35 -1.92 117.51 118.75 2g46 h ILE 97 Ca -0.47 0.00 -0.70 0.00 -0.12 0.00 0.00 64.86 63.57 2g46 h ILE 97 Cb 1.18 0.52 -0.35 0.00 -3.03 0.00 0.00 36.82 35.15 2g46 h ILE 97 CO 0.66 0.00 0.19 0.61 -0.68 0.00 0.00 178.15 178.94 2g46 n GLY 98 N -1.42 5.86 3.56 5.37 0.00 -1.24 -3.77 105.19 113.55 2g46 n GLY 98 Ca 0.05 -2.67 -0.26 0.00 0.00 0.00 0.00 46.02 43.14 2g46 n GLY 98 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g46 s GLU 99 N -3.89 1.91 -0.10 1.61 0.41 -0.72 -5.01 118.70 112.91 2g46 s GLU 99 Ca 0.45 -2.15 0.04 0.00 -0.41 0.00 0.00 54.97 52.90 2g46 s GLU 99 Cb 0.28 -0.99 0.00 0.00 -1.78 0.00 0.00 34.13 31.64 2g46 s GLU 99 CO -0.17 -0.33 -0.22 -2.00 -0.49 0.00 0.00 175.26 172.05 2g46 s GLU 100 N -3.80 2.91 -0.27 1.61 2.12 -1.26 0.00 118.70 120.01 2g46 s GLU 100 Ca 0.24 -0.83 -0.18 0.00 0.36 0.00 0.00 54.97 54.57 2g46 s GLU 100 Cb 0.05 -2.24 -0.02 0.00 0.26 0.00 0.00 34.13 32.17 2g46 s GLU 100 CO 0.13 0.13 0.52 0.42 -0.54 0.00 0.00 175.26 175.91 2g46 s ILE 101 N 0.47 5.06 -0.17 -3.70 1.01 0.16 -4.74 121.20 119.28 2g46 s ILE 101 Ca -0.16 0.82 -0.07 0.00 0.00 0.00 0.00 60.65 61.24 2g46 s ILE 101 Cb -0.17 -3.85 0.07 0.00 0.01 0.00 0.00 42.46 38.52 2g46 s ILE 101 CO 0.06 0.04 0.39 0.42 0.00 0.00 0.00 174.94 175.85 2g46 s THR 102 N 2.33 -0.37 0.44 2.92 -4.23 -1.26 -2.59 115.64 112.88 2g46 s THR 102 Ca 0.21 0.16 -0.04 0.00 -1.18 0.00 0.00 61.69 60.83 2g46 s THR 102 Cb -0.16 -0.60 -0.04 0.00 1.34 0.00 0.00 72.50 73.04 2g46 s THR 102 CO 0.10 0.07 0.72 0.27 -0.54 0.00 0.00 174.62 175.24 2g46 s ILE 103 N 2.10 4.95 0.00 2.99 -4.36 -1.13 -4.18 121.20 121.57 2g46 s ILE 103 Ca -0.04 0.08 0.00 0.00 -0.26 0.00 0.00 60.65 60.43 2g46 s ILE 103 Cb -0.11 -3.85 0.00 0.00 1.25 0.00 0.00 42.46 39.75 2g46 s ILE 103 CO -0.12 -0.74 0.00 -1.54 0.24 0.00 0.00 174.94 172.78 2g46 n SER 104 N -2.04 0.00 0.05 4.36 3.41 -1.26 -4.38 113.62 113.76 2g46 n SER 104 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2g46 n SER 104 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 2g46 n SER 104 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2g46 n TYR 105 N 0.00 -0.77 -3.93 7.33 4.01 -1.26 -5.03 117.16 117.50 2g46 n TYR 105 Ca 0.00 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 2g46 n TYR 105 Cb 0.00 0.47 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 2g46 n TYR 105 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2g46 n GLY 106 N 1.74 -0.89 0.14 2.72 0.00 -1.26 -4.91 105.19 102.74 2g46 n GLY 106 Ca 0.00 -1.14 -0.00 0.00 0.00 0.00 0.00 46.02 44.88 2g46 n GLY 106 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2g46 h ASP 107 N 0.00 0.00 0.00 1.61 3.32 -1.87 -3.01 116.42 116.47 2g46 h ASP 107 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2g46 h ASP 107 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2g46 h ASP 107 CO 0.00 0.60 0.00 0.47 -1.72 0.00 0.00 179.24 178.59 2g46 n ASP 108 N -3.71 0.00 -4.55 6.45 8.00 -1.26 -4.58 116.55 116.90 2g46 n ASP 108 Ca -0.01 0.53 -0.35 0.00 0.71 0.00 0.00 54.79 55.68 2g46 n ASP 108 Cb 0.62 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 41.25 2g46 n ASP 108 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2g46 n TYR 109 N -1.81 1.34 -2.72 1.24 4.02 -1.26 -4.71 117.16 113.27 2g46 n TYR 109 Ca 0.00 0.13 0.02 0.00 -0.01 0.00 0.00 57.90 58.04 2g46 n TYR 109 Cb 0.00 -2.61 -0.01 0.00 -0.02 0.00 0.00 39.34 36.71 2g46 n TYR 109 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 2g46 n TRP 110 N 15.78 -1.91 -1.24 -0.72 7.02 -1.26 -4.07 117.44 131.03 2g46 n TRP 110 Ca 0.40 0.23 -0.32 0.00 -1.02 0.00 0.00 57.50 56.78 2g46 n TRP 110 Cb 0.50 -0.27 0.11 0.00 -2.42 0.00 0.00 31.31 29.23 2g46 n TRP 110 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2g46 s LEU 111 N 0.00 3.13 -0.22 -0.99 2.96 -1.26 -4.53 118.68 117.76 2g46 s LEU 111 Ca 0.00 2.11 -0.11 0.00 -0.22 0.00 0.00 54.13 55.91 2g46 s LEU 111 Cb 0.00 -4.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.03 2g46 s LEU 111 CO 0.00 -2.33 -0.29 -0.24 -1.32 0.00 0.00 176.35 172.17 2g46 n SER 112 N -3.30 1.61 -4.02 3.68 2.88 -1.14 -4.49 113.62 108.85 2g46 n SER 112 Ca 0.11 0.26 -0.38 0.00 -1.33 0.00 0.00 58.87 57.53 2g46 n SER 112 Cb 0.52 -0.65 -0.03 0.00 -0.75 0.00 0.00 64.21 63.30 2g46 n SER 112 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2g46 n ARG 113 N -3.97 3.29 -0.64 -1.46 0.63 -1.26 -4.83 116.66 108.42 2g46 n ARG 113 Ca -0.44 -4.53 -0.22 0.00 -0.92 0.00 0.00 57.85 51.74 2g46 n ARG 113 Cb 0.82 -2.44 -0.03 0.00 0.45 0.00 0.00 32.46 31.26 2g46 n ARG 113 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2g46 n PRO 114 N 1.88 1.44 -0.08 -0.14 -0.04 -1.26 -4.48 135.00 132.32 2g46 n PRO 114 Ca 0.25 -1.30 0.08 0.00 -0.04 0.00 0.00 63.50 62.49 2g46 n PRO 114 Cb 0.37 -2.44 0.34 0.00 -0.04 0.00 0.00 33.50 31.72 2g46 n PRO 114 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2g46 n ARG 115 N 5.07 1.53 -0.45 0.54 3.00 -1.26 -4.69 116.66 120.40 2g46 n ARG 115 Ca 0.36 -0.81 0.06 0.00 -0.00 0.00 0.00 57.85 57.46 2g46 n ARG 115 Cb 0.17 -1.32 -0.02 0.00 0.00 0.00 0.00 32.46 31.29 2g46 n ARG 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2g46 n LEU 116 N 0.06 0.00 -2.49 6.15 7.99 -1.26 -4.96 117.00 122.50 2g46 n LEU 116 Ca 0.13 0.48 -0.02 0.00 -0.01 0.00 0.00 56.01 56.60 2g46 n LEU 116 Cb 0.24 -1.45 -0.02 0.00 -0.11 0.00 0.00 43.42 42.09 2g46 n LEU 116 CO 0.10 -1.38 -0.45 0.41 -1.51 0.00 0.00 177.39 174.57 2g46 n THR 117 N -2.06-10.36 0.00 -5.08 -1.04 -1.26 -3.98 114.28 90.51 2g46 n THR 117 Ca 0.00 2.33 0.00 0.00 -2.04 0.00 0.00 64.05 64.34 2g46 n THR 117 Cb 0.20 -5.34 0.00 0.00 -1.82 0.00 0.00 70.33 63.37 2g46 n THR 117 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g46 n GLN 118 N 1.91 0.00 0.00 -2.82 1.13 -1.26 -5.22 117.38 111.12 2g46 n GLN 118 Ca -0.16 0.00 0.16 0.00 -1.94 0.00 0.00 57.00 55.05 2g46 n GLN 118 Cb 0.25 0.00 0.92 0.00 0.11 0.00 0.00 30.24 31.52 2g46 n GLN 118 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91