#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 -0.77 0.37 2.03 -0.71 -1.26 -2.26 117.98 115.38 2g46 s PHE 2 Ca 0.00 1.50 0.08 0.00 -1.04 0.00 0.00 56.93 57.48 2g46 s PHE 2 Cb 0.00 0.46 -0.07 0.00 -1.21 0.00 0.00 43.02 42.20 2g46 s PHE 2 CO 0.00 -0.38 -0.04 0.54 -1.34 0.00 0.00 175.22 174.00 2g46 s ASN 3 N 1.61 3.86 -0.67 1.98 2.20 -0.45 -5.00 114.94 118.47 2g46 s ASN 3 Ca -0.09 -1.24 -0.13 0.00 -0.94 0.00 0.00 52.86 50.47 2g46 s ASN 3 Cb -0.05 -0.39 -0.11 0.00 -2.00 0.00 0.00 41.25 38.70 2g46 s ASN 3 CO -0.17 -0.31 1.86 0.47 -2.94 0.00 0.00 177.10 176.01 2g46 n ASP 4 N -0.89 3.10 0.00 3.54 9.92 -1.26 -2.30 116.55 128.67 2g46 n ASP 4 Ca -0.05 -2.43 0.00 0.00 -0.53 0.00 0.00 54.79 51.78 2g46 n ASP 4 Cb 0.65 -0.98 0.00 0.00 -0.64 0.00 0.00 41.12 40.15 2g46 n ASP 4 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2g46 n ARG 5 N 5.65 0.00 -3.64 -1.24 1.74 -1.26 -5.10 116.66 112.80 2g46 n ARG 5 Ca 0.41 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.38 2g46 n ARG 5 Cb 0.24 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.63 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 0.00 0.07 0.10 1.55 1.01 -0.97 -3.61 120.40 118.55 2g46 s VAL 6 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2g46 s VAL 6 Cb 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2g46 s VAL 6 CO 0.00 -0.31 -0.07 -0.51 0.00 0.00 0.00 175.10 174.21 2g46 s ILE 7 N -3.54 0.78 -0.35 2.22 2.07 -1.09 -1.34 121.20 119.94 2g46 s ILE 7 Ca 0.01 -1.87 -0.14 0.00 -1.41 0.00 0.00 60.65 57.24 2g46 s ILE 7 Cb 0.01 -1.61 -0.01 0.00 0.13 0.00 0.00 42.46 40.98 2g46 s ILE 7 CO -0.10 -0.80 0.28 -0.69 -1.91 0.00 0.00 174.94 171.72 2g46 s VAL 8 N -3.33 5.25 0.00 4.00 1.01 -0.96 -0.99 120.40 125.38 2g46 s VAL 8 Ca 0.11 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.94 2g46 s VAL 8 Cb 0.03 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 2g46 s VAL 8 CO -0.03 -0.07 -0.16 -0.54 0.00 0.00 0.00 175.10 174.30 2g46 s LYS 9 N 1.80 1.25 -1.19 2.72 1.02 -0.92 -4.82 119.74 119.61 2g46 s LYS 9 Ca 0.07 -0.66 -0.12 0.00 0.02 0.00 0.00 55.97 55.29 2g46 s LYS 9 Cb -0.17 -1.24 -0.02 0.00 -0.52 0.00 0.00 37.83 35.88 2g46 s LYS 9 CO 0.11 0.33 0.76 1.63 -0.92 0.00 0.00 175.35 177.26 2g46 n LYS 10 N 2.43 -2.47 -3.76 1.68 5.02 0.37 0.12 118.16 121.55 2g46 n LYS 10 Ca -0.15 0.56 -0.24 0.00 -2.02 0.00 0.00 58.31 56.45 2g46 n LYS 10 Cb 0.54 -4.70 -0.01 0.00 -0.02 0.00 0.00 35.03 30.84 2g46 n LYS 10 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2g46 s SER 11 N -3.75 4.76 0.56 4.39 0.15 -1.26 -5.00 113.70 113.54 2g46 s SER 11 Ca 0.32 -1.07 0.34 0.00 0.70 0.00 0.00 55.95 56.24 2g46 s SER 11 Cb -0.10 0.07 1.50 0.00 -1.71 0.00 0.00 66.02 65.78 2g46 s SER 11 CO 0.83 -0.95 2.04 1.55 1.20 0.00 0.00 173.24 177.91 2g46 h PRO 12 N 0.84 0.00 -0.44 5.44 0.13 -1.99 -3.34 132.00 132.64 2g46 h PRO 12 Ca -0.38 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.46 2g46 h PRO 12 Cb 1.29 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.20 2g46 h PRO 12 CO 0.57 0.04 -0.62 -0.11 -0.23 0.00 0.00 178.00 177.65 2g46 n LEU 13 N -3.18 -1.30 0.00 1.56 0.00 -1.26 -5.12 117.00 107.71 2g46 n LEU 13 Ca -0.00 -3.86 0.00 0.00 0.00 0.00 0.00 56.01 52.15 2g46 n LEU 13 Cb 0.27 0.59 0.00 0.00 0.00 0.00 0.00 43.42 44.28 2g46 n LEU 13 CO 0.27 2.01 0.00 0.61 0.00 0.00 0.00 177.39 180.28 2g46 n GLY 14 N 0.03 3.98 0.00 -3.96 0.00 -1.25 -5.17 105.19 98.82 2g46 n GLY 14 Ca 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 5.45 2.35 -0.02 0.00 -1.26 -4.69 105.19 107.02 2g46 n GLY 15 Ca 0.00 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 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 0.00 1.98 -2.82 1.61 4.02 -1.25 0.14 117.16 120.84 2g46 n TYR 16 Ca 0.00 -2.70 0.00 0.00 -0.01 0.00 0.00 57.90 55.19 2g46 n TYR 16 Cb 0.00 -2.23 0.00 0.00 -0.02 0.00 0.00 39.34 37.09 2g46 n TYR 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2g46 n GLY 17 N 3.53 2.92 3.39 2.72 0.00 0.33 -4.23 105.19 113.85 2g46 n GLY 17 Ca 0.68 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 2g46 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g46 s VAL 18 N 1.04 3.06 0.12 1.61 0.11 -1.16 -2.16 120.40 123.03 2g46 s VAL 18 Ca 0.00 -0.67 -0.19 0.00 -2.93 0.00 0.00 61.98 58.20 2g46 s VAL 18 Cb 0.00 -2.27 -0.07 0.00 -1.53 0.00 0.00 36.38 32.51 2g46 s VAL 18 CO 0.00 0.53 0.60 -0.36 -3.33 0.00 0.00 175.10 172.55 2g46 s PHE 19 N 0.18 3.75 -0.79 1.54 0.40 -0.16 0.02 117.98 122.91 2g46 s PHE 19 Ca -0.07 1.27 -0.18 0.00 -0.60 0.00 0.00 56.93 57.35 2g46 s PHE 19 Cb -0.15 -2.51 0.14 0.00 0.51 0.00 0.00 43.02 41.01 2g46 s PHE 19 CO 0.05 0.51 0.90 0.00 0.70 0.00 0.00 175.22 177.38 2g46 s ALA 20 N -1.25 3.55 -0.22 5.36 0.00 0.73 -2.68 121.76 127.25 2g46 s ALA 20 Ca 0.34 -2.70 0.26 0.00 0.00 0.00 0.00 51.96 49.86 2g46 s ALA 20 Cb -0.18 -3.75 1.22 0.00 0.00 0.00 0.00 23.12 20.40 2g46 s ALA 20 CO 0.20 -2.61 1.78 -0.09 0.00 0.00 0.00 175.76 175.04 2g46 h ARG 21 N 8.72 0.00 -6.01 0.00 9.65 -1.62 -2.91 114.38 122.20 2g46 h ARG 21 Ca -0.01 0.00 -0.58 0.00 -1.10 0.00 0.00 59.98 58.29 2g46 h ARG 21 Cb 1.05 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.59 2g46 h ARG 21 CO 1.02 0.00 -0.27 0.15 2.80 0.00 0.00 179.97 183.67 2g46 s LYS 22 N -3.51 2.25 0.00 0.20 1.02 -1.25 -4.17 119.74 114.28 2g46 s LYS 22 Ca 0.01 -1.99 0.00 0.00 0.02 0.00 0.00 55.97 54.00 2g46 s LYS 22 Cb 0.08 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 2g46 s LYS 22 CO 0.34 -0.68 0.00 0.43 -0.92 0.00 0.00 175.35 174.53 2g46 n SER 23 N -1.84 0.00 -4.62 2.83 7.64 0.37 -1.67 113.62 116.32 2g46 n SER 23 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 2g46 n SER 23 Cb 0.64 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.76 2g46 n SER 23 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2g46 s PHE 24 N -2.00 2.60 0.45 1.43 0.08 -1.04 -4.98 117.98 114.52 2g46 s PHE 24 Ca 0.00 -0.30 0.08 0.00 0.12 0.00 0.00 56.93 56.83 2g46 s PHE 24 Cb 0.00 -1.26 0.02 0.00 -0.57 0.00 0.00 43.02 41.21 2g46 s PHE 24 CO 0.00 0.58 0.61 -1.21 -0.10 0.00 0.00 175.22 175.11 2g46 s GLU 25 N -3.67 2.74 -0.97 0.44 2.02 -1.26 -2.48 118.70 115.51 2g46 s GLU 25 Ca 0.32 -1.24 -0.24 0.00 0.02 0.00 0.00 54.97 53.83 2g46 s GLU 25 Cb -0.05 -2.72 -0.02 0.00 0.10 0.00 0.00 34.13 31.44 2g46 s GLU 25 CO 0.19 -0.38 1.82 0.21 0.02 0.00 0.00 175.26 177.12 2g46 s LYS 26 N -4.42 2.84 0.00 1.61 2.20 -1.26 -3.47 119.74 117.23 2g46 s LYS 26 Ca 0.56 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 2g46 s LYS 26 Cb -0.10 -5.17 0.00 0.00 -1.51 0.00 0.00 37.83 31.06 2g46 s LYS 26 CO 0.34 -3.12 0.00 0.41 -0.36 0.00 0.00 175.35 172.62 2g46 n GLY 27 N 6.72 0.73 3.12 5.54 0.00 0.32 -4.88 105.19 116.73 2g46 n GLY 27 Ca 0.39 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 1.55 -0.13 1.61 2.02 -1.23 -4.89 118.70 117.65 2g46 s GLU 28 Ca 0.00 -0.56 -0.29 0.00 0.02 0.00 0.00 54.97 54.14 2g46 s GLU 28 Cb 0.00 -1.40 -0.05 0.00 0.10 0.00 0.00 34.13 32.79 2g46 s GLU 28 CO 0.00 0.25 1.70 -1.17 0.02 0.00 0.00 175.26 176.06 2g46 s LEU 29 N -0.05 4.10 -0.98 1.80 1.98 -1.26 -2.83 118.68 121.44 2g46 s LEU 29 Ca -0.01 2.00 -0.12 0.00 -2.89 0.00 0.00 54.13 53.10 2g46 s LEU 29 Cb -0.10 -3.53 0.23 0.00 0.66 0.00 0.00 46.19 43.45 2g46 s LEU 29 CO 0.01 -1.14 0.98 -0.69 -1.89 0.00 0.00 176.35 173.62 2g46 s VAL 30 N 4.83 5.67 0.24 1.68 1.01 0.45 -4.97 120.40 129.32 2g46 s VAL 30 Ca 0.76 -2.80 0.00 0.00 0.00 0.00 0.00 61.98 59.93 2g46 s VAL 30 Cb -0.31 -4.58 0.00 0.00 0.00 0.00 0.00 36.38 31.50 2g46 s VAL 30 CO 0.31 -1.17 0.00 -0.62 0.00 0.00 0.00 175.10 173.62 2g46 n GLU 31 N 3.76 -2.08 -3.63 2.72 1.02 -1.26 -4.17 120.64 116.99 2g46 n GLU 31 Ca 0.20 1.37 -0.10 0.00 -0.02 0.00 0.00 57.16 58.61 2g46 n GLU 31 Cb 0.44 -2.53 -0.04 0.00 -0.02 0.00 0.00 31.44 29.28 2g46 n GLU 31 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2g46 s GLU 32 N -1.63 1.11 0.12 3.49 2.12 -1.26 -3.51 118.70 119.14 2g46 s GLU 32 Ca 0.00 -0.72 -0.13 0.00 0.36 0.00 0.00 54.97 54.49 2g46 s GLU 32 Cb 0.00 0.48 0.02 0.00 0.26 0.00 0.00 34.13 34.89 2g46 s GLU 32 CO 0.00 -0.44 0.32 0.00 -0.54 0.00 0.00 175.26 174.60 2g46 s LEU 34 N -2.85 3.13 0.19 0.00 1.43 -1.26 -2.22 118.68 117.10 2g46 s LEU 34 Ca 0.06 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 2g46 s LEU 34 Cb 0.03 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 2g46 s LEU 34 CO -0.10 -1.45 0.35 0.00 0.23 0.00 0.00 176.35 175.38 2g46 s ILE 36 N -3.97 4.87 -0.12 0.00 1.01 -0.94 -4.75 121.20 117.29 2g46 s ILE 36 Ca 0.18 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 2g46 s ILE 36 Cb 0.02 -3.48 0.03 0.00 0.01 0.00 0.00 42.46 39.04 2g46 s ILE 36 CO 0.02 -0.08 -0.05 -0.69 0.00 0.00 0.00 174.94 174.15 2g46 s VAL 37 N -1.71 0.86 0.03 2.92 1.01 -1.26 -0.17 120.40 122.07 2g46 s VAL 37 Ca 0.32 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.05 2g46 s VAL 37 Cb -0.11 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 2g46 s VAL 37 CO 0.26 0.26 -0.06 -0.13 0.00 0.00 0.00 175.10 175.43 2g46 s ARG 38 N 1.77 0.45 -1.40 2.72 1.81 0.68 -4.97 118.95 120.00 2g46 s ARG 38 Ca 0.04 -0.60 -0.09 0.00 -1.72 0.00 0.00 55.73 53.36 2g46 s ARG 38 Cb -0.13 -0.24 -0.11 0.00 -0.45 0.00 0.00 34.95 34.02 2g46 s ARG 38 CO -0.07 0.04 3.01 1.58 -0.68 0.00 0.00 175.30 179.18 2g46 n HIS 39 N 1.82 2.08 -2.45 -0.53 -0.00 -1.26 -0.25 115.22 114.62 2g46 n HIS 39 Ca -0.21 -2.85 0.00 0.00 0.46 0.00 0.00 57.72 55.12 2g46 n HIS 39 Cb 0.56 -2.35 0.00 0.00 -0.12 0.00 0.00 29.99 28.07 2g46 n HIS 39 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 2g46 n ASN 40 N 3.48 0.00 0.00 0.26 2.85 -1.26 -4.86 115.26 115.72 2g46 n ASN 40 Ca 0.73 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.20 2g46 n ASN 40 Cb 0.31 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.33 2g46 n ASN 40 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2g46 n ASP 41 N -0.92 0.00 -0.33 1.20 2.03 -1.26 -2.84 116.55 114.42 2g46 n ASP 41 Ca 0.00 0.00 0.25 0.00 0.52 0.00 0.00 54.79 55.56 2g46 n ASP 41 Cb 0.00 0.00 0.54 0.00 -0.72 0.00 0.00 41.12 40.94 2g46 n ASP 41 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2g46 h ASP 42 N 9.15 0.39 -0.26 1.67 5.19 -2.00 1.22 116.42 131.78 2g46 h ASP 42 Ca 0.00 0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.45 2g46 h ASP 42 Cb 0.00 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 2g46 h ASP 42 CO 0.00 0.05 0.02 -0.25 -3.12 0.00 0.00 179.24 175.94 2g46 h TRP 43 N 0.33 0.56 0.86 4.55 2.91 -1.89 0.16 115.95 123.43 2g46 h TRP 43 Ca 0.62 -0.05 -0.04 0.00 1.13 0.00 0.00 58.89 60.54 2g46 h TRP 43 Cb 1.68 -0.16 0.01 0.00 -0.51 0.00 0.00 29.16 30.18 2g46 h TRP 43 CO -0.00 0.54 -0.41 0.78 -1.03 0.00 0.00 178.44 178.31 2g46 h GLY 44 N 0.83 -1.21 0.86 2.65 0.00 0.15 0.21 103.07 106.56 2g46 h GLY 44 Ca 0.12 0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.85 2g46 h GLY 44 CO 0.01 -0.44 0.00 -0.84 0.00 0.00 0.00 176.54 175.27 2g46 h THR 45 N -1.27 1.25 0.55 4.70 2.02 -1.43 1.20 112.91 119.93 2g46 h THR 45 Ca -0.12 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 2g46 h THR 45 Cb 0.89 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 2g46 h THR 45 CO 0.19 0.29 -0.41 0.00 0.37 0.00 0.00 175.52 175.96 2g46 h ALA 46 N 0.82 -1.15 -0.66 6.16 0.00 -0.71 -2.66 119.26 121.05 2g46 h ALA 46 Ca 0.07 -0.18 -0.41 0.00 0.00 0.00 0.00 54.91 54.39 2g46 h ALA 46 Cb 0.41 0.57 -0.20 0.00 0.00 0.00 0.00 17.79 18.58 2g46 h ALA 46 CO 0.01 -1.14 0.53 1.28 0.00 0.00 0.00 179.25 179.93 2g46 n LEU 47 N -4.92 6.38 -3.22 0.00 7.99 0.75 -4.79 117.00 119.18 2g46 n LEU 47 Ca -0.11 -3.37 -0.23 0.00 -0.01 0.00 0.00 56.01 52.30 2g46 n LEU 47 Cb 0.39 -0.92 -0.02 0.00 -0.11 0.00 0.00 43.42 42.77 2g46 n LEU 47 CO 0.25 1.15 2.12 1.21 -1.51 0.00 0.00 177.39 180.61 2g46 n GLU 48 N -0.28 1.68 0.00 3.23 2.13 0.41 -4.51 120.64 123.30 2g46 n GLU 48 Ca 0.41 -1.38 0.00 0.00 0.66 0.00 0.00 57.16 56.85 2g46 n GLU 48 Cb 0.86 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 30.11 2g46 n GLU 48 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2g46 n ASP 49 N 4.90 0.00 -2.12 4.31 -0.08 -1.26 -4.95 116.55 117.34 2g46 n ASP 49 Ca 0.39 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.49 2g46 n ASP 49 Cb 0.16 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.59 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 -0.06 -0.80 -3.73 -0.67 4.01 -1.26 -4.93 117.16 109.72 2g46 n TYR 50 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 2g46 n TYR 50 Cb 0.00 -3.46 -0.12 0.00 -0.31 0.00 0.00 39.34 35.45 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 -5.42 4.11 -0.48 7.72 2.96 -1.26 -2.38 118.68 123.93 2g46 s LEU 51 Ca 0.00 -0.85 -0.22 0.00 -0.22 0.00 0.00 54.13 52.83 2g46 s LEU 51 Cb 0.00 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.82 2g46 s LEU 51 CO 0.00 -0.25 0.77 -0.36 -1.32 0.00 0.00 176.35 175.19 2g46 s PHE 52 N 1.49 2.97 -0.02 5.38 0.08 0.11 -4.75 117.98 123.24 2g46 s PHE 52 Ca 0.01 -0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.06 2g46 s PHE 52 Cb -0.18 -3.68 -0.04 0.00 -0.57 0.00 0.00 43.02 38.55 2g46 s PHE 52 CO 0.03 -1.05 0.01 0.45 -0.10 0.00 0.00 175.22 174.56 2g46 s SER 53 N 2.34 5.19 0.00 1.36 0.15 -1.26 -0.60 113.70 120.88 2g46 s SER 53 Ca 0.27 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.95 2g46 s SER 53 Cb -0.14 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.79 2g46 s SER 53 CO 0.20 0.30 0.00 -2.11 1.20 0.00 0.00 173.24 172.82 2g46 n ARG 54 N 1.51 2.82 -2.29 5.44 1.85 -0.47 -4.93 116.66 120.59 2g46 n ARG 54 Ca -0.15 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.27 2g46 n ARG 54 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 2g46 n ARG 54 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2g46 n LYS 55 N -0.03 3.13 0.00 2.89 3.00 -1.26 -2.86 118.16 123.03 2g46 n LYS 55 Ca 0.00 -3.12 0.00 0.00 -0.00 0.00 0.00 58.31 55.19 2g46 n LYS 55 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 35.03 31.71 2g46 n LYS 55 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2g46 n ASN 56 N 6.82 0.00 0.00 3.14 6.94 -1.26 -5.16 115.26 125.74 2g46 n ASN 56 Ca 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 55.04 2g46 n ASN 56 Cb 0.42 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 2g46 n ASN 56 CO 0.00 0.00 0.00 1.15 -1.03 0.00 0.00 177.26 177.38 2g46 n MET 57 N 0.00 -1.92 -4.68 -3.83 0.00 -1.13 -4.88 117.12 100.68 2g46 n MET 57 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.37 2g46 n MET 57 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.09 2g46 n MET 57 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2g46 s SER 58 N -2.16 4.37 0.47 3.17 1.04 0.65 -1.37 113.70 119.86 2g46 s SER 58 Ca 0.00 -0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.31 2g46 s SER 58 Cb 0.00 -1.37 -0.03 0.00 0.10 0.00 0.00 66.02 64.72 2g46 s SER 58 CO 0.00 0.26 0.10 0.00 0.98 0.00 0.00 173.24 174.58 2g46 s ALA 59 N -0.20 3.81 0.28 5.32 0.00 0.23 -0.23 121.76 130.96 2g46 s ALA 59 Ca 0.02 -1.38 0.12 0.00 0.00 0.00 0.00 51.96 50.72 2g46 s ALA 59 Cb -0.13 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 2g46 s ALA 59 CO 0.03 -0.14 -0.20 1.41 0.00 0.00 0.00 175.76 176.86 2g46 s MET 60 N -3.90 1.66 -0.67 0.00 1.75 0.77 0.07 119.30 118.97 2g46 s MET 60 Ca 0.25 -1.76 -0.22 0.00 -1.25 0.00 0.00 55.69 52.71 2g46 s MET 60 Cb 0.04 -1.73 0.08 0.00 2.84 0.00 0.00 34.83 36.05 2g46 s MET 60 CO 0.14 0.32 0.94 0.00 -0.65 0.00 0.00 175.02 175.77 2g46 s ALA 61 N -2.54 3.17 0.00 4.11 0.00 -1.00 -2.22 121.76 123.29 2g46 s ALA 61 Ca 0.30 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 50.28 2g46 s ALA 61 Cb -0.05 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.24 2g46 s ALA 61 CO 0.15 -2.74 0.44 1.47 0.00 0.00 0.00 175.76 175.08 2g46 n LEU 62 N 7.43 0.00 0.00 0.00 -0.00 0.94 -4.26 117.00 121.10 2g46 n LEU 62 Ca -0.02 0.44 0.00 0.00 -0.00 0.00 0.00 56.01 56.43 2g46 n LEU 62 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 2g46 n LEU 62 CO 0.62 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.62 2g46 n GLY 63 N -0.48 -2.41 2.23 1.47 0.00 -1.17 -4.62 105.19 100.21 2g46 n GLY 63 Ca 0.00 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 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 1.53 0.09 1.61 3.72 -1.26 -4.28 117.46 118.86 2g46 n PHE 64 Ca 0.00 -1.95 0.10 0.00 -0.05 0.00 0.00 57.45 55.55 2g46 n PHE 64 Cb 0.00 -1.22 -0.02 0.00 -0.94 0.00 0.00 39.48 37.30 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 0.71 -1.42 0.13 1.37 0.00 -1.26 -4.28 105.19 100.44 2g46 n GLY 65 Ca 0.41 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.21 0.87 -0.01 4.61 0.00 -1.26 -4.03 120.51 118.48 2g46 n ALA 66 Ca -0.01 -0.58 0.23 0.00 0.00 0.00 0.00 53.44 53.08 2g46 n ALA 66 Cb 0.58 -0.60 0.66 0.00 0.00 0.00 0.00 19.45 20.09 2g46 n ALA 66 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2g46 h ILE 67 N -0.31 0.25 -2.63 0.00 -0.00 -1.76 -3.42 117.51 109.64 2g46 h ILE 67 Ca -0.41 0.00 -0.60 0.00 -0.00 0.00 0.00 64.86 63.85 2g46 h ILE 67 Cb 1.78 0.45 0.14 0.00 -0.00 0.00 0.00 36.82 39.19 2g46 h ILE 67 CO -0.03 0.00 -0.17 0.49 -0.00 0.00 0.00 178.15 178.44 2g46 n PHE 68 N -3.57 0.19 -4.59 0.16 3.72 -1.26 -3.43 117.46 108.68 2g46 n PHE 68 Ca 0.13 0.59 -0.30 0.00 -0.05 0.00 0.00 57.45 57.81 2g46 n PHE 68 Cb 0.91 -2.09 -0.08 0.00 -0.94 0.00 0.00 39.48 37.28 2g46 n PHE 68 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2g46 s ASN 69 N -0.89 4.11 -0.40 4.37 0.01 -1.26 -4.81 114.94 116.07 2g46 s ASN 69 Ca 0.64 -1.47 -0.14 0.00 -0.71 0.00 0.00 52.86 51.18 2g46 s ASN 69 Cb -0.59 0.10 0.03 0.00 0.41 0.00 0.00 41.25 41.20 2g46 s ASN 69 CO 0.57 -0.70 0.28 -2.28 -1.51 0.00 0.00 177.10 173.46 2g46 s HIS 70 N -2.78 3.24 0.07 2.20 2.46 -1.25 -2.11 115.29 117.11 2g46 s HIS 70 Ca 0.21 -0.76 0.08 0.00 0.47 0.00 0.00 55.06 55.06 2g46 s HIS 70 Cb 0.04 -2.60 -0.03 0.00 -0.13 0.00 0.00 32.58 29.87 2g46 s HIS 70 CO 0.11 -0.63 -0.22 0.45 -2.47 0.00 0.00 174.74 171.99 2g46 s SER 71 N 1.72 2.61 0.15 9.88 0.15 -1.26 -5.05 113.70 121.89 2g46 s SER 71 Ca 0.04 -0.59 -0.32 0.00 0.70 0.00 0.00 55.95 55.78 2g46 s SER 71 Cb -0.20 -0.19 -0.12 0.00 -1.71 0.00 0.00 66.02 63.80 2g46 s SER 71 CO 0.09 0.14 1.75 0.29 1.20 0.00 0.00 173.24 176.70 2g46 n LYS 72 N 1.56 2.60 -3.31 5.44 4.76 -1.26 -3.12 118.16 124.83 2g46 n LYS 72 Ca -0.18 0.94 -0.10 0.00 -2.87 0.00 0.00 58.31 56.10 2g46 n LYS 72 Cb 0.53 -2.79 0.00 0.00 -1.84 0.00 0.00 35.03 30.93 2g46 n LYS 72 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2g46 n ASP 73 N 4.66 -6.75 -3.95 4.39 8.00 -1.26 -4.94 116.55 116.70 2g46 n ASP 73 Ca 0.17 -0.33 -0.29 0.00 0.71 0.00 0.00 54.79 55.05 2g46 n ASP 73 Cb 0.34 -3.98 0.28 0.00 -0.02 0.00 0.00 41.12 37.74 2g46 n ASP 73 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2g46 s PRO 74 N -3.60 -2.13 -0.00 -0.24 0.04 -1.18 -4.98 135.00 122.90 2g46 s PRO 74 Ca 0.03 0.49 0.02 0.00 0.04 0.00 0.00 61.00 61.58 2g46 s PRO 74 Cb -0.01 -1.44 -0.03 0.00 0.04 0.00 0.00 34.50 33.06 2g46 s PRO 74 CO 0.80 -4.44 0.09 0.27 0.04 0.00 0.00 177.00 173.77 2g46 n ASN 75 N -5.37 1.46 -4.15 6.66 0.23 -1.26 -4.89 115.26 107.94 2g46 n ASN 75 Ca 0.07 -0.38 -0.21 0.00 -0.53 0.00 0.00 54.58 53.52 2g46 n ASN 75 Cb 0.57 1.04 -0.14 0.00 -2.08 0.00 0.00 39.78 39.17 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 -1.53 1.25 0.36 -2.53 0.00 -1.26 -1.69 121.76 116.36 2g46 s ALA 76 Ca 0.00 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.25 2g46 s ALA 76 Cb 0.02 -0.24 -0.07 0.00 0.00 0.00 0.00 23.12 22.83 2g46 s ALA 76 CO 0.10 0.26 -0.05 0.50 0.00 0.00 0.00 175.76 176.58 2g46 s ARG 77 N -0.91 1.83 0.24 0.00 3.52 -0.88 -4.35 118.95 118.41 2g46 s ARG 77 Ca 0.03 -1.98 0.08 0.00 -0.13 0.00 0.00 55.73 53.74 2g46 s ARG 77 Cb -0.07 -1.58 -0.04 0.00 -1.56 0.00 0.00 34.95 31.70 2g46 s ARG 77 CO 0.01 0.05 0.06 -3.38 -0.81 0.00 0.00 175.30 171.23 2g46 s HIS 78 N -2.72 2.86 -0.02 5.12 -3.43 -1.26 -0.25 115.29 115.59 2g46 s HIS 78 Ca 0.33 -0.17 0.02 0.00 -0.80 0.00 0.00 55.06 54.45 2g46 s HIS 78 Cb 0.05 -1.30 0.00 0.00 -1.43 0.00 0.00 32.58 29.91 2g46 s HIS 78 CO 0.16 0.57 -0.08 -2.00 -2.00 0.00 0.00 174.74 171.39 2g46 s GLU 79 N -3.59 0.85 0.03 -0.38 2.12 -0.56 -4.91 118.70 112.26 2g46 s GLU 79 Ca 0.31 -0.28 0.06 0.00 0.36 0.00 0.00 54.97 55.42 2g46 s GLU 79 Cb -0.07 -0.80 -0.03 0.00 0.26 0.00 0.00 34.13 33.48 2g46 s GLU 79 CO 0.21 0.12 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.39 2g46 s LEU 80 N 0.13 2.78 0.00 2.70 1.43 -1.26 -1.02 118.68 123.43 2g46 s LEU 80 Ca -0.02 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2g46 s LEU 80 Cb -0.07 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.53 2g46 s LEU 80 CO 0.00 0.26 0.58 0.35 0.23 0.00 0.00 176.35 177.77 2g46 n THR 81 N 1.51 0.00 0.21 5.49 -2.24 -0.85 -4.96 114.28 113.45 2g46 n THR 81 Ca -0.16 1.08 0.00 0.00 -2.27 0.00 0.00 64.05 62.71 2g46 n THR 81 Cb 0.52 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 66.82 2g46 n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2g46 n ALA 82 N -0.93 0.00 -1.52 6.98 0.00 -1.26 -4.95 120.51 118.83 2g46 n ALA 82 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 2g46 n ALA 82 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.44 5.80 2.22 0.00 0.00 -1.26 -4.98 105.19 105.52 2g46 n GLY 83 Ca 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 46.02 43.65 2g46 n GLY 83 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2g46 n LEU 84 N -0.81 -6.23 0.00 0.99 7.94 -1.26 -5.03 117.00 112.61 2g46 n LEU 84 Ca 0.60 3.13 0.00 0.00 -1.11 0.00 0.00 56.01 58.63 2g46 n LEU 84 Cb 0.55 -3.21 0.00 0.00 0.53 0.00 0.00 43.42 41.29 2g46 n LEU 84 CO 0.71 -2.27 0.00 0.29 -1.11 0.00 0.00 177.39 175.01 2g46 n LYS 85 N 1.93 0.00 -4.82 1.96 5.02 -1.26 -4.86 118.16 116.13 2g46 n LYS 85 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 2g46 n LYS 85 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.88 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 0.00 2.55 0.23 1.97 3.00 -1.26 -1.16 118.95 124.28 2g46 s ARG 86 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 55.73 55.07 2g46 s ARG 86 Cb 0.00 -2.42 -0.05 0.00 0.00 0.00 0.00 34.95 32.48 2g46 s ARG 86 CO 0.00 0.63 0.11 0.00 0.00 0.00 0.00 175.30 176.04 2g46 s MET 87 N -0.77 1.30 0.41 3.54 0.23 -0.94 -2.00 119.30 121.07 2g46 s MET 87 Ca 0.12 -1.69 0.04 0.00 -1.03 0.00 0.00 55.69 53.13 2g46 s MET 87 Cb -0.11 0.01 -0.02 0.00 -1.53 0.00 0.00 34.83 33.18 2g46 s MET 87 CO 0.01 -0.34 0.16 0.54 -2.03 0.00 0.00 175.02 173.36 2g46 n ARG 88 N -0.36 0.56 -3.82 3.16 3.00 -0.19 -2.36 116.66 116.64 2g46 n ARG 88 Ca 0.01 -3.52 -0.29 0.00 -0.01 0.00 0.00 57.85 54.04 2g46 n ARG 88 Cb 0.66 1.99 -0.16 0.00 0.00 0.00 0.00 32.46 34.95 2g46 n ARG 88 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2g46 s ILE 89 N -3.14 1.03 0.04 0.55 1.01 -1.23 -1.50 121.20 117.96 2g46 s ILE 89 Ca 0.23 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.88 2g46 s ILE 89 Cb 0.01 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 41.01 2g46 s ILE 89 CO 0.16 -0.25 0.06 0.49 0.00 0.00 0.00 174.94 175.40 2g46 n PHE 90 N 4.84 -3.10 -3.81 3.97 3.01 0.66 0.17 117.46 123.20 2g46 n PHE 90 Ca -0.09 -0.14 -0.30 0.00 1.01 0.00 0.00 57.45 57.93 2g46 n PHE 90 Cb 0.45 -0.04 -0.15 0.00 -0.01 0.00 0.00 39.48 39.73 2g46 n PHE 90 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2g46 s THR 91 N 0.48 1.33 0.10 4.37 -4.23 -1.13 -2.06 115.64 114.49 2g46 s THR 91 Ca 0.04 -1.79 0.30 0.00 -1.18 0.00 0.00 61.69 59.06 2g46 s THR 91 Cb -0.00 -1.99 0.30 0.00 1.34 0.00 0.00 72.50 72.14 2g46 s THR 91 CO 0.03 -0.68 1.91 0.16 -0.54 0.00 0.00 174.62 175.50 2g46 h ILE 92 N 6.40 0.00 -3.52 2.99 3.07 -1.65 0.92 117.51 125.71 2g46 h ILE 92 Ca -0.10 -0.00 -0.09 0.00 1.55 0.00 0.00 64.86 66.22 2g46 h ILE 92 Cb 1.01 0.66 -0.16 0.00 -0.27 0.00 0.00 36.82 38.06 2g46 h ILE 92 CO 0.49 0.00 -0.30 -1.59 -1.05 0.00 0.00 178.15 175.70 2g46 s LYS 93 N -3.76 0.82 0.43 0.16 -2.85 -1.18 -4.73 119.74 108.64 2g46 s LYS 93 Ca -0.03 -0.69 -0.25 0.00 -1.00 0.00 0.00 55.97 53.99 2g46 s LYS 93 Cb 0.09 0.35 -0.09 0.00 -2.06 0.00 0.00 37.83 36.11 2g46 s LYS 93 CO 0.27 -0.26 1.27 -2.30 0.10 0.00 0.00 175.35 174.43 2g46 n PRO 94 N 0.33 1.91 -4.86 1.78 -0.02 -1.26 -4.50 135.00 128.38 2g46 n PRO 94 Ca -0.17 0.68 -0.26 0.00 -2.02 0.00 0.00 63.50 61.72 2g46 n PRO 94 Cb 0.61 -2.40 -0.15 0.00 -0.02 0.00 0.00 33.50 31.54 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 -1.21 1.64 0.32 4.25 1.01 -1.04 -4.95 121.20 121.22 2g46 s ILE 95 Ca 0.62 -1.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 2g46 s ILE 95 Cb -0.50 -1.39 -0.06 0.00 0.01 0.00 0.00 42.46 40.52 2g46 s ILE 95 CO 0.57 0.36 0.63 0.00 0.00 0.00 0.00 174.94 176.50 2g46 s ALA 96 N -0.61 3.51 0.61 9.38 0.00 -1.24 0.14 121.76 133.55 2g46 s ALA 96 Ca 0.08 -0.37 0.27 0.00 0.00 0.00 0.00 51.96 51.94 2g46 s ALA 96 Cb -0.08 -2.47 1.27 0.00 0.00 0.00 0.00 23.12 21.84 2g46 s ALA 96 CO 0.00 0.21 1.69 0.82 0.00 0.00 0.00 175.76 178.48 2g46 h ILE 97 N 1.41 0.20 -2.29 0.00 5.03 -1.48 -1.31 117.51 119.07 2g46 h ILE 97 Ca -0.47 0.00 -0.69 0.00 -0.12 0.00 0.00 64.86 63.58 2g46 h ILE 97 Cb 1.18 0.41 -0.36 0.00 -3.03 0.00 0.00 36.82 35.03 2g46 h ILE 97 CO 0.66 0.00 0.08 0.61 -0.68 0.00 0.00 178.15 178.82 2g46 n GLY 98 N -1.54 5.79 3.63 5.37 0.00 -1.23 -3.62 105.19 113.59 2g46 n GLY 98 Ca 0.12 -2.70 -0.25 0.00 0.00 0.00 0.00 46.02 43.19 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 -3.77 2.07 -0.26 1.61 0.41 -0.49 -4.98 118.70 113.28 2g46 s GLU 99 Ca 0.44 -1.77 -0.04 0.00 -0.41 0.00 0.00 54.97 53.20 2g46 s GLU 99 Cb 0.23 -1.91 0.02 0.00 -1.78 0.00 0.00 34.13 30.68 2g46 s GLU 99 CO -0.12 0.13 -0.00 -2.00 -0.49 0.00 0.00 175.26 172.77 2g46 s GLU 100 N -3.71 2.99 -0.13 1.61 -6.30 -1.26 -0.19 118.70 111.71 2g46 s GLU 100 Ca 0.35 -0.89 -0.21 0.00 -2.50 0.00 0.00 54.97 51.71 2g46 s GLU 100 Cb 0.00 -3.14 -0.03 0.00 0.00 0.00 0.00 34.13 30.96 2g46 s GLU 100 CO 0.19 -0.39 0.62 0.42 0.02 0.00 0.00 175.26 176.12 2g46 s ILE 101 N 1.41 5.07 -0.06 -3.70 1.01 0.10 -4.81 121.20 120.22 2g46 s ILE 101 Ca 0.02 1.23 -0.23 0.00 0.00 0.00 0.00 60.65 61.66 2g46 s ILE 101 Cb -0.17 -3.95 0.05 0.00 0.01 0.00 0.00 42.46 38.40 2g46 s ILE 101 CO -0.02 0.21 0.53 0.42 0.00 0.00 0.00 174.94 176.09 2g46 s THR 102 N 1.19 0.02 0.20 2.92 -4.23 -1.26 -2.97 115.64 111.50 2g46 s THR 102 Ca 0.31 -0.17 0.10 0.00 -1.18 0.00 0.00 61.69 60.75 2g46 s THR 102 Cb -0.16 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.81 2g46 s THR 102 CO 0.13 -0.09 -0.13 0.27 -0.54 0.00 0.00 174.62 174.26 2g46 s ILE 103 N -1.00 2.98 0.31 2.99 -5.25 -0.90 -4.02 121.20 116.31 2g46 s ILE 103 Ca -0.10 -1.82 -0.01 0.00 -0.99 0.00 0.00 60.65 57.73 2g46 s ILE 103 Cb -0.02 -2.48 0.06 0.00 2.95 0.00 0.00 42.46 42.96 2g46 s ILE 103 CO 0.06 -0.16 0.43 -1.20 -1.79 0.00 0.00 174.94 172.28 2g46 n SER 104 N -0.05 0.47 0.02 4.36 7.64 -1.26 -3.95 113.62 120.86 2g46 n SER 104 Ca -0.10 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.35 2g46 n SER 104 Cb 0.56 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 2g46 n SER 104 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2g46 n TYR 105 N -2.09 -0.18 -1.64 1.43 4.01 -1.26 -5.03 117.16 112.40 2g46 n TYR 105 Ca 0.07 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 2g46 n TYR 105 Cb 0.24 0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 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 3.14 -1.66 0.18 2.72 0.00 -1.26 -4.95 105.19 103.35 2g46 n GLY 106 Ca 0.00 -1.09 -0.06 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 0.32 0.11 1.61 3.32 -2.01 -3.35 116.42 116.42 2g46 h ASP 107 Ca 0.00 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 2g46 h ASP 107 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2g46 h ASP 107 CO 0.00 0.84 -0.05 0.44 -1.72 0.00 0.00 179.24 178.74 2g46 h ASP 108 N 0.22 -0.13 -0.08 6.45 3.32 -1.94 -3.36 116.42 120.90 2g46 h ASP 108 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 2g46 h ASP 108 Cb 1.09 0.03 0.05 0.00 0.22 0.00 0.00 39.33 40.73 2g46 h ASP 108 CO 0.09 0.01 1.89 0.00 -1.72 0.00 0.00 179.24 179.51 2g46 n TYR 109 N -2.95 1.69 -1.92 4.55 9.36 -1.26 -4.72 117.16 121.92 2g46 n TYR 109 Ca -0.02 -1.50 0.00 0.00 3.32 0.00 0.00 57.90 59.70 2g46 n TYR 109 Cb 0.06 -1.73 0.00 0.00 -0.63 0.00 0.00 39.34 37.04 2g46 n TYR 109 CO 0.00 0.00 0.00 1.87 0.22 0.00 0.00 176.86 178.95 2g46 n TRP 110 N 9.20 0.00 0.00 2.98 -0.00 -1.26 -4.21 117.44 124.15 2g46 n TRP 110 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.98 2g46 n TRP 110 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.73 2g46 n TRP 110 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 2g46 n LEU 111 N 0.00 0.35 0.00 5.87 7.94 -1.26 -5.05 117.00 124.85 2g46 n LEU 111 Ca 0.00 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.36 2g46 n LEU 111 Cb 0.00 -0.44 0.00 0.00 0.53 0.00 0.00 43.42 43.51 2g46 n LEU 111 CO 0.00 -0.44 0.00 -1.20 -1.11 0.00 0.00 177.39 174.64 2g46 n SER 112 N -1.82 0.00 -3.16 1.96 7.64 -1.26 -5.04 113.62 111.94 2g46 n SER 112 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 2g46 n SER 112 Cb 0.00 0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.19 2g46 n SER 112 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2g46 n ARG 113 N -1.06 0.93 -0.06 1.43 0.63 -1.26 -4.93 116.66 112.34 2g46 n ARG 113 Ca 0.00 -3.25 -0.16 0.00 -0.92 0.00 0.00 57.85 53.52 2g46 n ARG 113 Cb 0.00 -1.60 -0.05 0.00 0.45 0.00 0.00 32.46 31.26 2g46 n ARG 113 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 2g46 h PRO 114 N 3.15 0.83 -1.23 -0.14 0.13 -1.97 -3.43 132.00 129.34 2g46 h PRO 114 Ca 0.08 -0.58 -0.32 0.00 -0.87 0.00 0.00 66.00 64.31 2g46 h PRO 114 Cb 0.97 0.09 -0.13 0.00 0.13 0.00 0.00 31.00 32.06 2g46 h PRO 114 CO 0.47 1.21 -0.29 0.54 -0.23 0.00 0.00 178.00 179.70 2g46 n ARG 115 N -4.01 -1.35 -4.11 0.86 1.74 -1.26 -2.22 116.66 106.31 2g46 n ARG 115 Ca -0.06 0.92 -0.34 0.00 -0.77 0.00 0.00 57.85 57.60 2g46 n ARG 115 Cb 0.66 -5.21 -0.02 0.00 -1.02 0.00 0.00 32.46 26.87 2g46 n ARG 115 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2g46 n LEU 116 N -2.01 -1.70 0.01 0.55 -0.00 -1.26 -4.77 117.00 107.82 2g46 n LEU 116 Ca -0.15 -0.92 0.00 0.00 -0.00 0.00 0.00 56.01 54.94 2g46 n LEU 116 Cb 0.51 -2.09 0.00 0.00 -0.00 0.00 0.00 43.42 41.84 2g46 n LEU 116 CO 0.24 0.28 0.00 0.41 -0.00 0.00 0.00 177.39 178.32 2g46 n THR 117 N -4.33 0.02 -2.84 1.96 -1.04 -0.94 -5.03 114.28 102.08 2g46 n THR 117 Ca 0.07 0.01 -0.11 0.00 -2.04 0.00 0.00 64.05 61.98 2g46 n THR 117 Cb 0.49 -0.42 0.06 0.00 -1.82 0.00 0.00 70.33 68.65 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 -2.55 1.04 -0.32 -2.82 7.27 -1.25 -5.19 117.38 113.56 2g46 n GLN 118 Ca 0.00 -2.40 0.00 0.00 0.07 0.00 0.00 57.00 54.67 2g46 n GLN 118 Cb 0.00 -1.08 0.00 0.00 2.41 0.00 0.00 30.24 31.57 2g46 n GLN 118 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22