#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g46 s PHE 2 N 0.00 1.24 0.15 2.03 -0.12 -1.26 0.18 117.98 120.20 2g46 s PHE 2 Ca 0.00 -0.31 -0.10 0.00 -0.05 0.00 0.00 56.93 56.47 2g46 s PHE 2 Cb 0.00 -0.85 -0.00 0.00 -0.63 0.00 0.00 43.02 41.54 2g46 s PHE 2 CO 0.00 -0.11 0.28 0.54 -0.05 0.00 0.00 175.22 175.89 2g46 s ASN 3 N 0.05 0.03 -0.65 1.98 4.22 -0.11 -5.00 114.94 115.45 2g46 s ASN 3 Ca -0.02 -0.80 -0.09 0.00 -2.14 0.00 0.00 52.86 49.81 2g46 s ASN 3 Cb -0.09 0.43 -0.08 0.00 1.28 0.00 0.00 41.25 42.79 2g46 s ASN 3 CO 0.01 -0.88 1.81 -0.67 -2.04 0.00 0.00 177.10 175.34 2g46 n ASP 4 N -0.20 3.26 0.00 3.54 -0.08 -1.26 -2.32 116.55 119.49 2g46 n ASP 4 Ca -0.09 -2.33 0.00 0.00 -1.51 0.00 0.00 54.79 50.87 2g46 n ASP 4 Cb 0.63 -0.94 0.00 0.00 2.34 0.00 0.00 41.12 43.15 2g46 n ASP 4 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2g46 n ARG 5 N 5.06 0.00 -3.89 -0.67 3.00 -1.26 -5.05 116.66 113.86 2g46 n ARG 5 Ca 0.36 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 58.13 2g46 n ARG 5 Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.59 2g46 n ARG 5 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2g46 s VAL 6 N 0.00 0.00 -0.02 5.15 1.01 -0.98 -4.64 120.40 120.92 2g46 s VAL 6 Ca 0.00 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 60.82 2g46 s VAL 6 Cb 0.00 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.37 2g46 s VAL 6 CO 0.00 -0.01 0.15 -0.51 0.00 0.00 0.00 175.10 174.73 2g46 s ILE 7 N -3.94 0.06 -0.59 2.22 2.07 -1.01 -0.94 121.20 119.06 2g46 s ILE 7 Ca 0.14 -0.46 -0.22 0.00 -1.41 0.00 0.00 60.65 58.71 2g46 s ILE 7 Cb -0.04 -0.37 0.06 0.00 0.13 0.00 0.00 42.46 42.24 2g46 s ILE 7 CO 0.07 -0.25 0.86 -0.69 -1.91 0.00 0.00 174.94 173.01 2g46 s VAL 8 N -0.89 4.51 -0.03 4.00 1.01 0.48 -1.25 120.40 128.23 2g46 s VAL 8 Ca -0.10 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.64 2g46 s VAL 8 Cb -0.05 -4.55 -0.01 0.00 0.00 0.00 0.00 36.38 31.77 2g46 s VAL 8 CO 0.01 -1.20 -0.20 -0.54 0.00 0.00 0.00 175.10 173.17 2g46 s LYS 9 N 3.59 1.86 -1.37 2.72 -0.14 -0.74 -4.79 119.74 120.86 2g46 s LYS 9 Ca 0.22 -0.72 -0.00 0.00 -1.36 0.00 0.00 55.97 54.10 2g46 s LYS 9 Cb -0.17 -1.69 -0.00 0.00 -1.68 0.00 0.00 37.83 34.29 2g46 s LYS 9 CO 0.12 0.36 0.50 1.63 -0.76 0.00 0.00 175.35 177.21 2g46 n LYS 10 N 2.83 -3.68 -0.08 1.68 5.02 -0.64 -0.61 118.16 122.67 2g46 n LYS 10 Ca -0.17 0.46 -0.15 0.00 -2.02 0.00 0.00 58.31 56.44 2g46 n LYS 10 Cb 0.53 -4.69 -0.05 0.00 -0.02 0.00 0.00 35.03 30.79 2g46 n LYS 10 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2g46 n SER 11 N -3.00 1.67 -1.90 4.39 2.88 -1.26 -4.55 113.62 111.85 2g46 n SER 11 Ca -0.31 0.28 -0.19 0.00 -1.33 0.00 0.00 58.87 57.33 2g46 n SER 11 Cb 0.68 -0.65 0.09 0.00 -0.75 0.00 0.00 64.21 63.58 2g46 n SER 11 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2g46 n PRO 12 N -4.14 1.93 -3.55 -1.46 -0.04 -1.26 -4.84 135.00 121.64 2g46 n PRO 12 Ca -0.26 -2.02 -0.19 0.00 -0.04 0.00 0.00 63.50 60.99 2g46 n PRO 12 Cb 0.59 -1.79 0.06 0.00 -0.04 0.00 0.00 33.50 32.32 2g46 n PRO 12 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2g46 n LEU 13 N -0.33 -3.69 0.00 1.53 4.77 -1.26 -4.98 117.00 113.04 2g46 n LEU 13 Ca 0.39 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2g46 n LEU 13 Cb 0.96 -2.88 0.00 0.00 -2.33 0.00 0.00 43.42 39.16 2g46 n LEU 13 CO 0.45 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 2g46 n GLY 14 N -1.37 1.68 0.00 -0.72 0.00 -1.26 -5.09 105.19 98.43 2g46 n GLY 14 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 5.00 1.75 3.17 -0.02 0.00 -1.26 -4.83 105.19 108.99 2g46 n GLY 15 Ca 0.00 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 2g46 n GLY 15 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2g46 s TYR 16 N 2.52 3.25 0.28 1.61 1.51 -1.26 -1.63 117.35 123.63 2g46 s TYR 16 Ca 0.00 -1.89 0.03 0.00 -1.01 0.00 0.00 57.07 54.20 2g46 s TYR 16 Cb 0.00 -2.08 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 2g46 s TYR 16 CO 0.00 -0.80 0.17 0.20 -1.11 0.00 0.00 175.55 174.00 2g46 s GLY 17 N 1.25 1.92 -0.18 0.71 0.00 0.22 -4.60 107.32 106.63 2g46 s GLY 17 Ca -0.05 -1.80 -0.12 0.00 0.00 0.00 0.00 44.72 42.75 2g46 s GLY 17 CO -0.02 -1.52 0.20 0.14 0.00 0.00 0.00 173.10 171.91 2g46 s VAL 18 N -3.73 5.36 -0.13 1.40 1.01 -1.09 -1.79 120.40 121.42 2g46 s VAL 18 Ca 0.38 0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.67 2g46 s VAL 18 Cb 0.05 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2g46 s VAL 18 CO 0.18 0.42 -0.01 -0.36 0.00 0.00 0.00 175.10 175.32 2g46 s PHE 19 N 0.40 3.09 -0.90 5.22 0.40 -0.38 0.15 117.98 125.96 2g46 s PHE 19 Ca 0.12 -0.06 -0.15 0.00 -0.60 0.00 0.00 56.93 56.24 2g46 s PHE 19 Cb -0.12 -1.90 0.20 0.00 0.51 0.00 0.00 43.02 41.71 2g46 s PHE 19 CO 0.01 0.18 0.93 0.00 0.70 0.00 0.00 175.22 177.03 2g46 s ALA 20 N -0.11 3.98 0.57 5.36 0.00 0.73 -2.39 121.76 129.89 2g46 s ALA 20 Ca 0.04 -3.25 0.26 0.00 0.00 0.00 0.00 51.96 49.00 2g46 s ALA 20 Cb -0.13 -3.68 1.56 0.00 0.00 0.00 0.00 23.12 20.86 2g46 s ALA 20 CO 0.02 -2.47 2.10 -0.09 0.00 0.00 0.00 175.76 175.33 2g46 h ARG 21 N 7.88 0.00 -7.64 0.00 2.43 -1.85 0.12 114.38 115.32 2g46 h ARG 21 Ca 0.14 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.86 2g46 h ARG 21 Cb 1.01 0.00 0.15 0.00 -0.42 0.00 0.00 29.97 30.71 2g46 h ARG 21 CO 0.89 0.00 0.33 0.15 -1.51 0.00 0.00 179.97 179.83 2g46 s LYS 22 N -4.78 0.80 0.00 0.20 1.02 -1.26 -3.75 119.74 111.97 2g46 s LYS 22 Ca -0.05 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.25 2g46 s LYS 22 Cb 0.16 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.49 2g46 s LYS 22 CO 0.60 -2.22 0.00 0.45 -0.92 0.00 0.00 175.35 173.26 2g46 n SER 23 N -3.54 0.00 -4.59 2.83 2.88 -0.92 -1.71 113.62 108.58 2g46 n SER 23 Ca 0.16 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.41 2g46 n SER 23 Cb 0.60 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.96 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 2.75 0.00 0.66 0.08 -1.01 -5.01 117.98 113.46 2g46 s PHE 24 Ca 0.00 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 56.90 2g46 s PHE 24 Cb 0.00 -1.43 0.00 0.00 -0.57 0.00 0.00 43.02 41.02 2g46 s PHE 24 CO 0.00 0.44 0.00 -1.91 -0.10 0.00 0.00 175.22 173.65 2g46 n GLU 25 N 0.64 2.19 0.00 0.44 2.13 -1.26 -1.58 120.64 123.21 2g46 n GLU 25 Ca -0.13 0.00 0.16 0.00 0.66 0.00 0.00 57.16 57.85 2g46 n GLU 25 Cb 0.52 0.00 0.89 0.00 0.27 0.00 0.00 31.44 33.13 2g46 n GLU 25 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2g46 n LYS 26 N 0.00 0.91 -2.79 5.31 4.81 -1.26 -3.20 118.16 121.93 2g46 n LYS 26 Ca 0.00 -0.03 -0.10 0.00 -0.87 0.00 0.00 58.31 57.31 2g46 n LYS 26 Cb 0.00 -1.50 0.05 0.00 0.02 0.00 0.00 35.03 33.60 2g46 n LYS 26 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2g46 n GLY 27 N 1.06 0.44 3.17 3.14 0.00 -1.19 -4.14 105.19 107.68 2g46 n GLY 27 Ca 0.22 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 0.39 3.09 0.07 1.61 2.02 -1.26 -4.90 118.70 119.73 2g46 s GLU 28 Ca 0.30 -0.78 -0.35 0.00 0.02 0.00 0.00 54.97 54.16 2g46 s GLU 28 Cb 0.24 -2.65 -0.14 0.00 0.10 0.00 0.00 34.13 31.68 2g46 s GLU 28 CO -0.19 -0.18 1.61 -0.11 0.02 0.00 0.00 175.26 176.41 2g46 n LEU 29 N 4.58 2.89 -4.00 1.80 7.94 -1.26 -3.44 117.00 125.50 2g46 n LEU 29 Ca -0.20 1.07 -0.41 0.00 -1.11 0.00 0.00 56.01 55.36 2g46 n LEU 29 Cb 0.50 -1.36 -0.01 0.00 0.53 0.00 0.00 43.42 43.08 2g46 n LEU 29 CO 0.27 -0.37 0.87 0.52 -1.11 0.00 0.00 177.39 177.57 2g46 n VAL 30 N 3.70 4.64 -1.34 1.96 0.31 0.44 -4.96 118.33 123.08 2g46 n VAL 30 Ca 0.19 -5.68 0.16 0.00 -0.01 0.00 0.00 64.34 58.99 2g46 n VAL 30 Cb 0.26 -2.20 -0.08 0.00 -0.91 0.00 0.00 33.84 30.92 2g46 n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2g46 n GLU 31 N 1.59 -2.87 -3.50 5.55 4.07 -1.26 -4.35 120.64 119.87 2g46 n GLU 31 Ca 0.26 2.29 -0.14 0.00 -0.06 0.00 0.00 57.16 59.50 2g46 n GLU 31 Cb 0.35 -3.45 -0.04 0.00 -0.06 0.00 0.00 31.44 28.24 2g46 n GLU 31 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2g46 s GLU 32 N -4.03 1.14 0.00 5.31 -1.05 -1.26 -3.12 118.70 115.69 2g46 s GLU 32 Ca 0.00 -0.24 0.00 0.00 -0.15 0.00 0.00 54.97 54.58 2g46 s GLU 32 Cb 0.00 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 2g46 s GLU 32 CO 0.00 -0.44 0.00 0.00 0.95 0.00 0.00 175.26 175.77 2g46 n LEU 34 N 0.00 0.00 -4.08 0.00 7.99 -1.26 -0.31 117.00 119.34 2g46 n LEU 34 Ca 0.00 -2.21 -0.14 0.00 -0.01 0.00 0.00 56.01 53.65 2g46 n LEU 34 Cb 0.00 -0.49 -0.04 0.00 -0.11 0.00 0.00 43.42 42.77 2g46 n LEU 34 CO 0.00 -0.82 0.14 0.00 -1.51 0.00 0.00 177.39 175.21 2g46 s ILE 36 N -3.08 3.09 -0.25 0.00 1.01 -1.09 -4.83 121.20 116.05 2g46 s ILE 36 Ca 0.30 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.25 2g46 s ILE 36 Cb -0.00 -2.22 0.04 0.00 0.01 0.00 0.00 42.46 40.28 2g46 s ILE 36 CO 0.20 0.58 -0.10 -0.69 0.00 0.00 0.00 174.94 174.93 2g46 s VAL 37 N -0.57 2.47 0.08 2.92 1.01 -1.26 0.14 120.40 125.19 2g46 s VAL 37 Ca 0.08 -1.30 -0.08 0.00 0.00 0.00 0.00 61.98 60.68 2g46 s VAL 37 Cb -0.11 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 2g46 s VAL 37 CO 0.01 0.13 0.18 -0.60 0.00 0.00 0.00 175.10 174.82 2g46 s ARG 38 N 1.22 0.82 0.48 2.72 6.06 -0.93 -4.99 118.95 124.34 2g46 s ARG 38 Ca -0.03 -0.95 -0.08 0.00 -2.50 0.00 0.00 55.73 52.16 2g46 s ARG 38 Cb -0.18 0.33 0.12 0.00 0.06 0.00 0.00 34.95 35.28 2g46 s ARG 38 CO -0.06 -0.26 0.46 0.72 -2.50 0.00 0.00 175.30 173.67 2g46 n HIS 39 N -0.01 -3.45 0.00 5.12 8.25 -1.26 -1.23 115.22 122.63 2g46 n HIS 39 Ca -0.15 -0.41 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 2g46 n HIS 39 Cb 0.62 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.28 2g46 n HIS 39 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2g46 n ASN 40 N -3.69 0.00 0.00 0.41 3.02 -1.26 -4.41 115.26 109.32 2g46 n ASN 40 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2g46 n ASN 40 Cb 0.24 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 2g46 n ASN 40 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2g46 n ASP 41 N 0.00 0.00 -0.18 6.41 -0.08 -1.26 -2.30 116.55 119.14 2g46 n ASP 41 Ca 0.00 0.00 0.30 0.00 -1.51 0.00 0.00 54.79 53.58 2g46 n ASP 41 Cb 0.00 0.00 0.65 0.00 2.34 0.00 0.00 41.12 44.11 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 9.79 0.00 0.57 1.67 3.32 -1.99 0.19 116.42 129.98 2g46 h ASP 42 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2g46 h ASP 42 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 2g46 h ASP 42 CO 0.00 0.00 -0.28 -0.25 -1.72 0.00 0.00 179.24 176.99 2g46 h TRP 43 N 0.00 -0.72 -0.56 4.55 2.91 -1.68 0.29 115.95 120.74 2g46 h TRP 43 Ca 0.45 -0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.52 2g46 h TRP 43 Cb 2.23 0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 31.08 2g46 h TRP 43 CO 0.00 -0.42 0.38 0.78 -1.03 0.00 0.00 178.44 178.14 2g46 h GLY 44 N -0.82 0.64 0.00 2.65 0.00 -1.11 0.16 103.07 104.59 2g46 h GLY 44 Ca -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2g46 h GLY 44 CO 0.13 0.15 0.00 2.41 0.00 0.00 0.00 176.54 179.23 2g46 n THR 45 N -4.47 0.00 -0.00 4.70 -1.04 -0.96 -1.55 114.28 110.96 2g46 n THR 45 Ca 0.08 0.99 -0.10 0.00 -2.04 0.00 0.00 64.05 62.98 2g46 n THR 45 Cb 0.25 -1.97 -0.03 0.00 -1.82 0.00 0.00 70.33 66.77 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 -2.00 -0.21 -0.52 2.41 0.00 -0.93 -1.67 119.26 116.34 2g46 h ALA 46 Ca 0.00 0.04 -0.44 0.00 0.00 0.00 0.00 54.91 54.51 2g46 h ALA 46 Cb 0.00 0.47 -0.17 0.00 0.00 0.00 0.00 17.79 18.09 2g46 h ALA 46 CO 0.00 -0.70 0.40 1.28 0.00 0.00 0.00 179.25 180.24 2g46 n LEU 47 N -5.37 6.49 0.00 0.00 7.99 0.54 -4.54 117.00 122.12 2g46 n LEU 47 Ca -0.03 -3.82 0.08 0.00 -0.01 0.00 0.00 56.01 52.24 2g46 n LEU 47 Cb 0.28 -1.17 0.43 0.00 -0.11 0.00 0.00 43.42 42.85 2g46 n LEU 47 CO 0.18 1.56 0.75 -1.84 -1.51 0.00 0.00 177.39 176.53 2g46 n GLU 48 N 0.67 0.23 -4.59 3.23 -0.00 -0.59 -4.36 120.64 115.23 2g46 n GLU 48 Ca 0.43 0.13 -0.30 0.00 -0.00 0.00 0.00 57.16 57.42 2g46 n GLU 48 Cb 0.57 -1.50 -0.13 0.00 -0.00 0.00 0.00 31.44 30.38 2g46 n GLU 48 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2g46 s ASP 49 N -2.59 3.50 -1.46 -1.84 2.15 -1.26 -4.65 116.67 110.52 2g46 s ASP 49 Ca 0.16 -0.59 -0.10 0.00 0.43 0.00 0.00 52.55 52.44 2g46 s ASP 49 Cb 0.11 -0.40 0.05 0.00 -0.30 0.00 0.00 42.92 42.39 2g46 s ASP 49 CO 0.26 0.22 0.94 -1.22 -0.17 0.00 0.00 175.17 175.20 2g46 n TYR 50 N 1.29 -2.39 -4.29 -5.34 4.01 -1.26 -4.95 117.16 104.23 2g46 n TYR 50 Ca -0.17 0.84 -0.30 0.00 -0.16 0.00 0.00 57.90 58.11 2g46 n TYR 50 Cb 0.52 -4.30 -0.16 0.00 -0.31 0.00 0.00 39.34 35.09 2g46 n TYR 50 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2g46 s LEU 51 N -7.13 1.80 -0.17 7.72 2.96 -1.26 -2.39 118.68 120.21 2g46 s LEU 51 Ca 0.56 -0.49 -0.10 0.00 -0.22 0.00 0.00 54.13 53.87 2g46 s LEU 51 Cb -0.27 -1.21 -0.05 0.00 0.50 0.00 0.00 46.19 45.17 2g46 s LEU 51 CO 0.69 -0.00 0.17 -0.36 -1.32 0.00 0.00 176.35 175.53 2g46 s PHE 52 N 1.18 3.47 -0.17 5.38 0.08 0.89 -4.96 117.98 123.84 2g46 s PHE 52 Ca -0.01 0.44 -0.16 0.00 0.12 0.00 0.00 56.93 57.32 2g46 s PHE 52 Cb -0.14 -2.15 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 2g46 s PHE 52 CO -0.06 0.38 0.39 -1.54 -0.10 0.00 0.00 175.22 174.29 2g46 s SER 53 N 0.06 6.50 0.47 1.36 1.04 -1.26 -0.80 113.70 121.06 2g46 s SER 53 Ca 0.11 0.59 0.08 0.00 0.48 0.00 0.00 55.95 57.21 2g46 s SER 53 Cb -0.12 -2.23 0.01 0.00 0.10 0.00 0.00 66.02 63.78 2g46 s SER 53 CO 0.01 -0.01 0.47 -0.60 0.98 0.00 0.00 173.24 174.10 2g46 s ARG 54 N 0.89 2.49 -1.20 4.02 6.06 0.06 -4.95 118.95 126.32 2g46 s ARG 54 Ca 0.20 -1.60 -0.18 0.00 -2.50 0.00 0.00 55.73 51.65 2g46 s ARG 54 Cb -0.14 -2.42 0.10 0.00 0.06 0.00 0.00 34.95 32.54 2g46 s ARG 54 CO 0.07 -0.39 1.56 0.15 -2.50 0.00 0.00 175.30 174.20 2g46 s LYS 55 N -4.27 3.91 0.00 5.12 1.02 -1.26 -2.69 119.74 121.56 2g46 s LYS 55 Ca 0.49 -1.96 0.00 0.00 0.02 0.00 0.00 55.97 54.52 2g46 s LYS 55 Cb -0.04 -5.34 0.00 0.00 -0.52 0.00 0.00 37.83 31.92 2g46 s LYS 55 CO 0.29 -2.09 0.00 0.27 -0.92 0.00 0.00 175.35 172.90 2g46 n ASN 56 N 7.68 0.00 -0.08 2.83 0.23 -1.26 -5.12 115.26 119.55 2g46 n ASN 56 Ca 0.41 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.46 2g46 n ASN 56 Cb 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 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 -3.66 -3.83 0.00 -1.10 -4.96 117.12 103.57 2g46 n MET 57 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.50 2g46 n MET 57 Cb 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 33.22 33.04 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 1.77 1.25 0.16 3.17 0.01 -0.36 -0.76 113.70 118.93 2g46 s SER 58 Ca 0.00 0.02 0.06 0.00 1.31 0.00 0.00 55.95 57.34 2g46 s SER 58 Cb 0.00 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 2g46 s SER 58 CO 0.00 -0.26 0.03 0.00 0.41 0.00 0.00 173.24 173.41 2g46 s ALA 59 N 2.18 3.29 0.73 1.44 0.00 0.02 -2.18 121.76 127.24 2g46 s ALA 59 Ca 0.04 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.72 2g46 s ALA 59 Cb -0.13 -1.10 0.14 0.00 0.00 0.00 0.00 23.12 22.03 2g46 s ALA 59 CO -0.04 0.53 1.00 1.41 0.00 0.00 0.00 175.76 178.66 2g46 s MET 60 N -2.85 1.61 0.00 0.00 1.75 0.12 -0.08 119.30 119.85 2g46 s MET 60 Ca 0.28 -1.29 0.00 0.00 -1.25 0.00 0.00 55.69 53.43 2g46 s MET 60 Cb -0.10 -2.36 0.00 0.00 2.84 0.00 0.00 34.83 35.21 2g46 s MET 60 CO 0.19 -1.49 0.00 0.00 -0.65 0.00 0.00 175.02 173.07 2g46 n ALA 61 N -2.83 0.00 -0.33 4.11 0.00 -1.00 -2.66 120.51 117.80 2g46 n ALA 61 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2g46 n ALA 61 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2g46 n ALA 61 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2g46 n LEU 62 N 0.00 0.00 0.00 0.00 -0.00 -1.23 -3.42 117.00 112.35 2g46 n LEU 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2g46 n LEU 62 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 2g46 n LEU 62 CO 0.00 -0.03 0.00 0.61 -0.00 0.00 0.00 177.39 177.97 2g46 n GLY 63 N -1.18 0.33 1.79 1.47 0.00 -1.25 -4.64 105.19 101.71 2g46 n GLY 63 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 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 1.76 0.07 1.61 3.72 -1.26 -4.21 117.46 119.15 2g46 n PHE 64 Ca 0.00 -1.57 0.07 0.00 -0.05 0.00 0.00 57.45 55.90 2g46 n PHE 64 Cb 0.00 -0.78 -0.04 0.00 -0.94 0.00 0.00 39.48 37.72 2g46 n PHE 64 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2g46 n GLY 65 N -0.23 -1.33 0.10 1.37 0.00 -1.26 -4.04 105.19 99.79 2g46 n GLY 65 Ca 0.34 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.24 2g46 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g46 n ALA 66 N -2.27 2.45 1.21 4.61 0.00 -1.26 -4.07 120.51 121.19 2g46 n ALA 66 Ca -0.04 -0.31 0.13 0.00 0.00 0.00 0.00 53.44 53.21 2g46 n ALA 66 Cb 0.66 -1.04 0.31 0.00 0.00 0.00 0.00 19.45 19.37 2g46 n ALA 66 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2g46 n ILE 67 N -2.67 0.00 -1.65 0.00 -6.64 -1.26 -4.84 119.36 102.31 2g46 n ILE 67 Ca -0.02 -0.18 -0.39 0.00 -1.77 0.00 0.00 62.75 60.39 2g46 n ILE 67 Cb 0.60 0.62 0.04 0.00 -1.44 0.00 0.00 39.64 39.46 2g46 n ILE 67 CO 0.00 0.00 0.00 0.49 -1.77 0.00 0.00 176.55 175.27 2g46 n PHE 68 N -0.37 1.24 -3.65 4.28 3.72 -1.26 -4.06 117.46 117.36 2g46 n PHE 68 Ca 0.12 0.46 0.00 0.00 -0.05 0.00 0.00 57.45 57.98 2g46 n PHE 68 Cb 0.38 -2.21 0.00 0.00 -0.94 0.00 0.00 39.48 36.71 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 -0.60 1.74 -4.83 4.37 3.02 -1.21 -4.99 115.26 112.76 2g46 n ASN 69 Ca 0.12 -0.78 -0.30 0.00 -0.03 0.00 0.00 54.58 53.59 2g46 n ASN 69 Cb 0.45 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.57 2g46 n ASN 69 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2g46 s HIS 70 N -0.33 3.28 -0.06 3.10 2.46 -1.26 -4.34 115.29 118.13 2g46 s HIS 70 Ca 0.00 0.11 -0.31 0.00 0.47 0.00 0.00 55.06 55.33 2g46 s HIS 70 Cb 0.00 -1.64 0.08 0.00 -0.13 0.00 0.00 32.58 30.89 2g46 s HIS 70 CO 0.00 0.54 0.72 -1.12 -2.47 0.00 0.00 174.74 172.41 2g46 s SER 71 N -2.60 -0.62 0.07 9.88 0.01 -1.26 -4.98 113.70 114.20 2g46 s SER 71 Ca 0.31 0.67 0.27 0.00 1.31 0.00 0.00 55.95 58.52 2g46 s SER 71 Cb -0.12 0.51 0.99 0.00 0.21 0.00 0.00 66.02 67.61 2g46 s SER 71 CO 0.24 -0.58 1.80 1.17 0.41 0.00 0.00 173.24 176.28 2g46 n LYS 72 N 0.88 0.10 -3.22 12.44 3.00 -1.26 -4.21 118.16 125.88 2g46 n LYS 72 Ca -0.18 0.07 -0.24 0.00 -0.00 0.00 0.00 58.31 57.97 2g46 n LYS 72 Cb 0.57 -1.60 -0.06 0.00 0.00 0.00 0.00 35.03 33.93 2g46 n LYS 72 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2g46 n ASP 73 N -1.77 1.31 -4.59 3.14 8.00 -1.26 -5.07 116.55 116.31 2g46 n ASP 73 Ca 0.06 -2.97 -0.41 0.00 0.71 0.00 0.00 54.79 52.18 2g46 n ASP 73 Cb 0.37 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 40.81 2g46 n ASP 73 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 2g46 s PRO 74 N -1.82 2.81 0.00 -0.24 0.02 -1.26 -4.81 135.00 129.70 2g46 s PRO 74 Ca 0.38 1.85 0.29 0.00 0.02 0.00 0.00 61.00 63.54 2g46 s PRO 74 Cb 0.21 -4.44 1.35 0.00 0.02 0.00 0.00 34.50 31.64 2g46 s PRO 74 CO -0.09 -2.47 1.96 0.27 -0.33 0.00 0.00 177.00 176.34 2g46 n ASN 75 N 12.99 0.13 -3.83 2.53 0.23 -1.26 -4.84 115.26 121.21 2g46 n ASN 75 Ca 0.32 -0.12 -0.12 0.00 -0.53 0.00 0.00 54.58 54.13 2g46 n ASN 75 Cb 0.48 -0.25 -0.09 0.00 -2.08 0.00 0.00 39.78 37.83 2g46 n ASN 75 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2g46 s ALA 76 N -2.65 -0.50 0.00 -2.53 0.00 -1.26 -2.64 121.76 112.17 2g46 s ALA 76 Ca 0.25 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.24 2g46 s ALA 76 Cb 0.20 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.43 2g46 s ALA 76 CO 0.49 -0.24 0.00 -2.13 0.00 0.00 0.00 175.76 173.88 2g46 n ARG 77 N 1.34 2.92 -4.32 0.00 0.63 -0.72 -3.79 116.66 112.71 2g46 n ARG 77 Ca -0.22 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.54 2g46 n ARG 77 Cb 0.56 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.37 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 0.41 1.54 -0.05 -0.14 -3.43 -1.26 -2.20 115.29 110.17 2g46 s HIS 78 Ca 0.00 -1.01 -0.05 0.00 -0.80 0.00 0.00 55.06 53.20 2g46 s HIS 78 Cb 0.00 -0.91 0.01 0.00 -1.43 0.00 0.00 32.58 30.25 2g46 s HIS 78 CO 0.00 -0.14 0.15 -2.00 -2.00 0.00 0.00 174.74 170.75 2g46 s GLU 79 N -3.92 0.21 0.01 -0.38 2.56 0.09 -4.85 118.70 112.41 2g46 s GLU 79 Ca 0.31 0.13 0.00 0.00 0.00 0.00 0.00 54.97 55.41 2g46 s GLU 79 Cb 0.07 0.10 -0.04 0.00 2.00 0.00 0.00 34.13 36.26 2g46 s GLU 79 CO 0.10 -0.03 0.07 -0.51 -0.56 0.00 0.00 175.26 174.32 2g46 s LEU 80 N -0.10 3.81 0.02 2.70 1.43 -1.26 -1.36 118.68 123.92 2g46 s LEU 80 Ca -0.02 0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 52.97 2g46 s LEU 80 Cb -0.02 -2.25 -0.12 0.00 0.03 0.00 0.00 46.19 43.83 2g46 s LEU 80 CO 0.00 0.26 1.07 0.71 0.23 0.00 0.00 176.35 178.63 2g46 h THR 81 N 3.19 0.00 0.00 5.49 1.35 -1.90 -3.48 112.91 117.56 2g46 h THR 81 Ca -0.49 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2g46 h THR 81 Cb 1.18 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 2g46 h THR 81 CO 0.62 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.89 2g46 n ALA 82 N -2.52 0.00 -1.90 6.62 0.00 -1.26 -4.97 120.51 116.49 2g46 n ALA 82 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.08 2g46 n ALA 82 Cb 0.30 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.09 6.28 3.80 0.00 0.00 -1.26 -4.93 105.19 107.99 2g46 n GLY 83 Ca 0.00 -2.60 -0.24 0.00 0.00 0.00 0.00 46.02 43.19 2g46 n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g46 n LEU 84 N -0.74 -2.80 0.00 0.99 4.77 -1.26 -4.88 117.00 113.08 2g46 n LEU 84 Ca 0.48 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 2g46 n LEU 84 Cb 0.89 -2.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.44 2g46 n LEU 84 CO 0.48 0.42 0.00 0.29 -1.33 0.00 0.00 177.39 177.25 2g46 n LYS 85 N -4.36 0.00 -3.05 3.23 5.02 -1.26 -4.35 118.16 113.40 2g46 n LYS 85 Ca -0.25 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.63 2g46 n LYS 85 Cb 0.66 -0.08 -0.05 0.00 -0.02 0.00 0.00 35.03 35.54 2g46 n LYS 85 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2g46 s ARG 86 N -0.34 4.33 -0.30 1.97 3.00 -1.26 -0.09 118.95 126.25 2g46 s ARG 86 Ca 0.00 0.80 -0.11 0.00 0.00 0.00 0.00 55.73 56.42 2g46 s ARG 86 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 34.95 31.40 2g46 s ARG 86 CO 0.00 -0.11 0.20 1.41 0.00 0.00 0.00 175.30 176.80 2g46 s MET 87 N 1.42 3.69 -0.28 3.54 1.75 0.58 -2.76 119.30 127.24 2g46 s MET 87 Ca 0.34 -0.50 -0.04 0.00 -1.25 0.00 0.00 55.69 54.24 2g46 s MET 87 Cb -0.17 -3.69 0.02 0.00 2.84 0.00 0.00 34.83 33.83 2g46 s MET 87 CO 0.14 -0.31 0.02 1.03 -0.65 0.00 0.00 175.02 175.25 2g46 s ARG 88 N 1.72 2.94 0.04 4.11 0.52 -0.46 -2.12 118.95 125.70 2g46 s ARG 88 Ca 0.06 -0.93 -0.19 0.00 -0.52 0.00 0.00 55.73 54.15 2g46 s ARG 88 Cb -0.17 -3.21 -0.06 0.00 0.52 0.00 0.00 34.95 32.03 2g46 s ARG 88 CO 0.10 -0.44 0.57 0.42 0.02 0.00 0.00 175.30 175.96 2g46 s ILE 89 N 1.42 4.81 0.42 1.52 1.01 -1.18 -0.73 121.20 128.46 2g46 s ILE 89 Ca 0.01 1.20 0.03 0.00 0.00 0.00 0.00 60.65 61.89 2g46 s ILE 89 Cb -0.17 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 2g46 s ILE 89 CO -0.00 0.51 0.11 -0.36 0.00 0.00 0.00 174.94 175.20 2g46 s PHE 90 N -0.81 1.81 -0.45 3.97 0.08 -0.93 0.17 117.98 121.81 2g46 s PHE 90 Ca 0.29 -1.22 -0.00 0.00 0.12 0.00 0.00 56.93 56.12 2g46 s PHE 90 Cb -0.19 -1.23 0.12 0.00 -0.57 0.00 0.00 43.02 41.15 2g46 s PHE 90 CO 0.18 -0.21 0.23 0.95 -0.10 0.00 0.00 175.22 176.27 2g46 s THR 91 N -3.15 3.03 0.40 0.64 -4.23 -1.22 -1.76 115.64 109.35 2g46 s THR 91 Ca 0.21 -2.51 0.18 0.00 -1.18 0.00 0.00 61.69 58.39 2g46 s THR 91 Cb 0.03 -3.08 0.38 0.00 1.34 0.00 0.00 72.50 71.17 2g46 s THR 91 CO 0.13 -0.73 1.81 0.16 -0.54 0.00 0.00 174.62 175.45 2g46 h ILE 92 N 6.06 0.60 -3.91 2.99 3.07 -1.69 -3.15 117.51 121.47 2g46 h ILE 92 Ca -0.08 -0.14 -0.42 0.00 1.55 0.00 0.00 64.86 65.77 2g46 h ILE 92 Cb 1.00 0.15 -0.21 0.00 -0.27 0.00 0.00 36.82 37.48 2g46 h ILE 92 CO 0.66 0.08 -0.78 -1.59 -1.05 0.00 0.00 178.15 175.46 2g46 s LYS 93 N -5.47 0.85 0.14 0.16 -2.85 -1.08 -4.72 119.74 106.77 2g46 s LYS 93 Ca -0.09 -0.99 -0.35 0.00 -1.00 0.00 0.00 55.97 53.54 2g46 s LYS 93 Cb 0.24 -0.86 -0.16 0.00 -2.06 0.00 0.00 37.83 34.99 2g46 s LYS 93 CO 0.79 0.19 1.34 -2.30 0.10 0.00 0.00 175.35 175.47 2g46 n PRO 94 N 1.19 1.41 -4.51 1.78 -0.02 -1.19 -4.59 135.00 129.07 2g46 n PRO 94 Ca -0.21 0.51 -0.31 0.00 -2.02 0.00 0.00 63.50 61.47 2g46 n PRO 94 Cb 0.54 -2.13 -0.11 0.00 -0.02 0.00 0.00 33.50 31.78 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 0.32 3.26 0.41 4.25 1.01 -0.61 -4.93 121.20 124.90 2g46 s ILE 95 Ca 0.79 -1.00 0.06 0.00 0.00 0.00 0.00 60.65 60.49 2g46 s ILE 95 Cb -0.85 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.21 2g46 s ILE 95 CO 0.47 0.33 0.57 0.00 0.00 0.00 0.00 174.94 176.31 2g46 s ALA 96 N -1.00 4.23 -0.35 9.38 0.00 -1.26 -2.15 121.76 130.61 2g46 s ALA 96 Ca 0.17 -1.46 -0.28 0.00 0.00 0.00 0.00 51.96 50.38 2g46 s ALA 96 Cb -0.11 -1.77 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 2g46 s ALA 96 CO 0.07 -0.26 1.95 0.42 0.00 0.00 0.00 175.76 177.95 2g46 s ILE 97 N -2.36 3.32 0.00 0.00 1.01 -0.69 -2.79 121.20 119.68 2g46 s ILE 97 Ca 0.50 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.46 2g46 s ILE 97 Cb -0.10 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.89 2g46 s ILE 97 CO 0.34 -0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.54 2g46 n GLY 98 N 5.58 1.36 3.92 6.18 0.00 0.39 -4.93 105.19 117.69 2g46 n GLY 98 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.16 3.32 -0.41 1.61 0.41 -1.08 -4.88 118.70 117.50 2g46 s GLU 99 Ca 0.00 -0.70 -0.15 0.00 -0.41 0.00 0.00 54.97 53.71 2g46 s GLU 99 Cb 0.00 -2.87 0.02 0.00 -1.78 0.00 0.00 34.13 29.50 2g46 s GLU 99 CO 0.00 0.49 0.29 -2.00 -0.49 0.00 0.00 175.26 173.55 2g46 s GLU 100 N -3.40 2.97 -0.26 1.61 -6.30 -1.26 -0.19 118.70 111.87 2g46 s GLU 100 Ca 0.34 -1.02 -0.20 0.00 -2.50 0.00 0.00 54.97 51.58 2g46 s GLU 100 Cb -0.10 -3.96 -0.02 0.00 0.00 0.00 0.00 34.13 30.05 2g46 s GLU 100 CO 0.28 -0.74 0.64 0.42 0.02 0.00 0.00 175.26 175.87 2g46 s ILE 101 N 1.67 4.98 0.00 -3.70 1.01 0.12 -4.70 121.20 120.58 2g46 s ILE 101 Ca 0.05 1.13 0.00 0.00 0.00 0.00 0.00 60.65 61.83 2g46 s ILE 101 Cb -0.19 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.34 2g46 s ILE 101 CO 0.10 0.01 0.07 0.35 0.00 0.00 0.00 174.94 175.47 2g46 n THR 102 N 5.21 0.00 0.00 2.92 -2.24 -1.26 -2.68 114.28 116.23 2g46 n THR 102 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2g46 n THR 102 Cb 0.49 1.74 0.00 0.00 -2.10 0.00 0.00 70.33 70.46 2g46 n THR 102 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2g46 n ILE 103 N 0.00 0.00 -2.92 2.28 -5.35 -1.25 -3.34 119.36 108.78 2g46 n ILE 103 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2g46 n ILE 103 Cb 0.29 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.19 2g46 n ILE 103 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2g46 n SER 104 N -2.77 0.00 0.02 7.28 2.88 -1.26 -4.28 113.62 115.49 2g46 n SER 104 Ca 0.00 -0.89 0.00 0.00 -1.33 0.00 0.00 58.87 56.65 2g46 n SER 104 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2g46 n SER 104 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2g46 n TYR 105 N 0.00 -0.14 -3.06 0.66 4.01 -1.26 -5.09 117.16 112.27 2g46 n TYR 105 Ca 0.00 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2g46 n TYR 105 Cb 0.00 0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 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 3.16 -1.60 5.24 2.72 0.00 -1.26 -4.89 105.19 108.56 2g46 n GLY 106 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2g46 n GLY 106 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2g46 n ASP 107 N 0.00 0.00 -0.83 1.61 2.03 -1.26 -1.58 116.55 116.52 2g46 n ASP 107 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 2g46 n ASP 107 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 2g46 n ASP 107 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2g46 n ASP 108 N 2.14 -0.20 -4.42 1.67 2.03 -1.26 -4.49 116.55 112.02 2g46 n ASP 108 Ca 0.00 -1.66 -0.43 0.00 0.52 0.00 0.00 54.79 53.22 2g46 n ASP 108 Cb 0.00 0.03 -0.10 0.00 -0.72 0.00 0.00 41.12 40.33 2g46 n ASP 108 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2g46 s TYR 109 N 0.00 3.25 0.00 -0.67 5.04 -0.61 -4.65 117.35 119.70 2g46 s TYR 109 Ca 0.05 -0.76 0.00 0.00 -2.44 0.00 0.00 57.07 53.92 2g46 s TYR 109 Cb 0.06 -2.70 0.00 0.00 0.35 0.00 0.00 41.96 39.67 2g46 s TYR 109 CO -0.03 -0.65 0.00 1.87 -1.34 0.00 0.00 175.55 175.40 2g46 n TRP 110 N 5.13 0.00 0.13 4.97 -0.00 -1.26 -3.34 117.44 123.08 2g46 n TRP 110 Ca -0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.25 2g46 n TRP 110 Cb 0.46 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.69 2g46 n TRP 110 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 2g46 h LEU 111 N 0.00 -0.25 0.00 5.87 6.46 -1.89 -3.44 115.31 122.06 2g46 h LEU 111 Ca 0.00 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2g46 h LEU 111 Cb 0.00 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 39.99 2g46 h LEU 111 CO 0.00 -0.06 0.00 -0.24 -0.62 0.00 0.00 178.44 177.52 2g46 n SER 112 N -5.16 0.00 -4.74 1.25 2.88 -1.21 -4.46 113.62 102.18 2g46 n SER 112 Ca -0.09 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.07 2g46 n SER 112 Cb 0.18 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.58 2g46 n SER 112 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2g46 s ARG 113 N 0.00 4.26 0.00 -1.46 1.81 -1.26 -4.15 118.95 118.16 2g46 s ARG 113 Ca 0.00 0.38 0.00 0.00 -1.72 0.00 0.00 55.73 54.39 2g46 s ARG 113 Cb 0.00 -3.40 0.00 0.00 -0.45 0.00 0.00 34.95 31.10 2g46 s ARG 113 CO 0.00 0.26 0.20 -0.35 -0.68 0.00 0.00 175.30 174.72 2g46 n PRO 114 N 3.36 0.00 -3.65 3.54 -0.04 -1.26 -4.91 135.00 132.03 2g46 n PRO 114 Ca -0.09 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.08 2g46 n PRO 114 Cb 0.52 -0.64 0.04 0.00 -0.04 0.00 0.00 33.50 33.37 2g46 n PRO 114 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2g46 n ARG 115 N -0.24 -1.22 -2.69 0.54 3.00 -1.26 -4.82 116.66 109.97 2g46 n ARG 115 Ca 0.00 0.55 -0.43 0.00 -0.01 0.00 0.00 57.85 57.96 2g46 n ARG 115 Cb 0.00 -4.04 -0.00 0.00 0.00 0.00 0.00 32.46 28.42 2g46 n ARG 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2g46 s LEU 116 N -6.17 4.17 0.13 0.55 1.02 -1.26 -4.37 118.68 112.74 2g46 s LEU 116 Ca 0.40 -2.52 0.00 0.00 0.02 0.00 0.00 54.13 52.03 2g46 s LEU 116 Cb -0.15 -2.53 0.00 0.00 0.02 0.00 0.00 46.19 43.54 2g46 s LEU 116 CO 0.86 -1.07 0.00 0.41 0.02 0.00 0.00 176.35 176.56 2g46 n THR 117 N 5.93 0.00 -3.54 5.49 -1.04 -1.26 -5.06 114.28 114.80 2g46 n THR 117 Ca 0.44 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 62.22 2g46 n THR 117 Cb 0.46 -0.07 0.05 0.00 -1.82 0.00 0.00 70.33 68.94 2g46 n THR 117 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2g46 n GLN 118 N -2.81 -2.83 0.00 -2.82 7.27 -1.26 -5.34 117.38 109.58 2g46 n GLN 118 Ca 0.00 0.65 0.00 0.00 0.07 0.00 0.00 57.00 57.72 2g46 n GLN 118 Cb 0.00 -5.05 0.00 0.00 2.41 0.00 0.00 30.24 27.60 2g46 n GLN 118 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42