#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 1.50 -4.15 2.03 1.16 -1.26 -4.71 117.46 112.03 2g46 n PHE 2 Ca 0.00 0.67 -0.12 0.00 -1.87 0.00 0.00 57.45 56.12 2g46 n PHE 2 Cb 0.00 -2.29 -0.11 0.00 -1.61 0.00 0.00 39.48 35.48 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 -0.49 1.19 0.56 5.98 3.84 0.82 -4.97 114.94 121.87 2g46 s ASN 3 Ca 0.58 -0.83 0.33 0.00 0.21 0.00 0.00 52.86 53.14 2g46 s ASN 3 Cb -0.67 0.05 1.77 0.00 -0.55 0.00 0.00 41.25 41.85 2g46 s ASN 3 CO 0.60 -0.33 1.99 -0.78 -2.79 0.00 0.00 177.10 175.79 2g46 h ASP 4 N 3.53 0.00 0.13 -4.21 3.58 -2.04 -1.43 116.42 115.98 2g46 h ASP 4 Ca -0.36 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 56.77 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 0.55 0.00 -2.18 0.54 -2.88 0.00 0.00 179.24 175.27 2g46 n ARG 5 N -2.75 0.67 -2.09 0.28 1.74 -1.26 -4.80 116.66 108.45 2g46 n ARG 5 Ca -0.02 0.05 -0.04 0.00 -0.77 0.00 0.00 57.85 57.07 2g46 n ARG 5 Cb 0.18 -1.59 -0.00 0.00 -1.02 0.00 0.00 32.46 30.03 2g46 n ARG 5 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2g46 n VAL 6 N -2.78 0.00 -3.78 1.55 0.24 -0.54 -2.87 118.33 110.16 2g46 n VAL 6 Ca -0.27 -0.43 -0.09 0.00 -2.04 0.00 0.00 64.34 61.51 2g46 n VAL 6 Cb 1.08 0.31 -0.04 0.00 -1.47 0.00 0.00 33.84 33.72 2g46 n VAL 6 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 2g46 s ILE 7 N -2.63 0.03 -0.13 1.34 2.07 -1.00 -0.13 121.20 120.74 2g46 s ILE 7 Ca 0.07 -0.89 -0.08 0.00 -1.41 0.00 0.00 60.65 58.34 2g46 s ILE 7 Cb -0.01 -1.66 -0.04 0.00 0.13 0.00 0.00 42.46 40.88 2g46 s ILE 7 CO 0.05 -0.12 0.15 0.54 -1.91 0.00 0.00 174.94 173.65 2g46 s VAL 8 N -3.89 5.47 -0.01 4.00 0.11 -1.26 -1.43 120.40 123.39 2g46 s VAL 8 Ca 0.11 0.23 -0.03 0.00 -2.93 0.00 0.00 61.98 59.36 2g46 s VAL 8 Cb -0.01 -3.43 0.00 0.00 -1.53 0.00 0.00 36.38 31.42 2g46 s VAL 8 CO -0.01 0.58 0.07 -0.54 -3.33 0.00 0.00 175.10 171.86 2g46 s LYS 9 N -0.73 0.20 -0.90 1.54 1.02 -0.99 -4.84 119.74 115.05 2g46 s LYS 9 Ca 0.14 -0.12 -0.06 0.00 0.02 0.00 0.00 55.97 55.95 2g46 s LYS 9 Cb -0.12 0.08 -0.01 0.00 -0.52 0.00 0.00 37.83 37.27 2g46 s LYS 9 CO 0.03 -0.04 0.73 1.63 -0.92 0.00 0.00 175.35 176.78 2g46 n LYS 10 N 2.49 -1.44 -4.53 1.68 4.76 -0.31 -0.12 118.16 120.69 2g46 n LYS 10 Ca -0.16 0.98 -0.25 0.00 -2.87 0.00 0.00 58.31 56.00 2g46 n LYS 10 Cb 0.58 -4.52 -0.09 0.00 -1.84 0.00 0.00 35.03 29.15 2g46 n LYS 10 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2g46 s SER 11 N -3.16 2.90 -0.64 4.39 1.04 -1.26 -5.01 113.70 111.95 2g46 s SER 11 Ca 0.18 -1.52 -0.28 0.00 0.48 0.00 0.00 55.95 54.81 2g46 s SER 11 Cb -0.05 0.19 -0.12 0.00 0.10 0.00 0.00 66.02 66.14 2g46 s SER 11 CO 0.81 -0.75 2.50 -2.65 0.98 0.00 0.00 173.24 174.13 2g46 n PRO 12 N -0.87 0.73 -3.64 4.02 -0.02 -1.26 -1.81 135.00 132.15 2g46 n PRO 12 Ca -0.06 0.01 -0.20 0.00 -2.02 0.00 0.00 63.50 61.23 2g46 n PRO 12 Cb 0.66 -2.81 0.04 0.00 -0.02 0.00 0.00 33.50 31.38 2g46 n PRO 12 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2g46 n LEU 13 N 13.99 -3.32 -4.28 2.45 0.00 -1.26 -4.99 117.00 119.59 2g46 n LEU 13 Ca 0.46 -0.78 -0.15 0.00 0.00 0.00 0.00 56.01 55.54 2g46 n LEU 13 Cb 0.37 -2.76 -0.10 0.00 0.00 0.00 0.00 43.42 40.93 2g46 n LEU 13 CO 0.78 0.40 -0.32 -0.83 0.00 0.00 0.00 177.39 177.42 2g46 s GLY 14 N -4.35 1.40 0.00 -3.96 0.00 -0.75 -5.16 107.32 94.50 2g46 s GLY 14 Ca 0.01 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.05 2g46 s GLY 14 CO 0.79 -1.58 0.00 0.61 0.00 0.00 0.00 173.10 172.93 2g46 n GLY 15 N -0.33 0.96 3.04 0.20 0.00 -1.26 -4.25 105.19 103.55 2g46 n GLY 15 Ca -0.05 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 2g46 n GLY 15 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2g46 n TYR 16 N 0.00 3.27 -2.81 1.61 9.36 -1.25 -1.16 117.16 126.18 2g46 n TYR 16 Ca 0.00 -3.17 0.00 0.00 3.32 0.00 0.00 57.90 58.05 2g46 n TYR 16 Cb 0.00 -1.30 0.00 0.00 -0.63 0.00 0.00 39.34 37.41 2g46 n TYR 16 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2g46 n GLY 17 N 1.68 3.07 3.19 2.98 0.00 0.83 -4.38 105.19 112.56 2g46 n GLY 17 Ca 0.26 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 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 1.87 0.41 1.61 0.11 -1.16 -2.33 120.40 121.95 2g46 s VAL 18 Ca 0.00 -0.92 -0.04 0.00 -2.93 0.00 0.00 61.98 58.09 2g46 s VAL 18 Cb 0.00 -1.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.19 2g46 s VAL 18 CO 0.00 0.52 0.69 -0.36 -3.33 0.00 0.00 175.10 172.61 2g46 s PHE 19 N 0.32 3.52 -0.36 1.54 0.40 -0.51 0.71 117.98 123.60 2g46 s PHE 19 Ca -0.16 0.69 -0.03 0.00 -0.60 0.00 0.00 56.93 56.83 2g46 s PHE 19 Cb -0.17 -2.18 0.08 0.00 0.51 0.00 0.00 43.02 41.26 2g46 s PHE 19 CO 0.07 -0.08 0.11 0.00 0.70 0.00 0.00 175.22 176.02 2g46 s ALA 20 N -2.49 3.01 0.45 5.36 0.00 0.02 -2.39 121.76 125.72 2g46 s ALA 20 Ca 0.45 -2.12 0.18 0.00 0.00 0.00 0.00 51.96 50.48 2g46 s ALA 20 Cb -0.10 -2.22 1.16 0.00 0.00 0.00 0.00 23.12 21.96 2g46 s ALA 20 CO 0.39 -1.53 2.03 -0.09 0.00 0.00 0.00 175.76 176.55 2g46 h ARG 21 N 8.06 0.00 0.00 0.00 9.65 -1.83 0.79 114.38 131.05 2g46 h ARG 21 Ca -0.18 0.00 -0.38 0.00 -1.10 0.00 0.00 59.98 58.32 2g46 h ARG 21 Cb 1.06 0.00 0.11 0.00 -1.39 0.00 0.00 29.97 29.75 2g46 h ARG 21 CO 0.62 0.16 0.22 1.63 2.80 0.00 0.00 179.97 185.40 2g46 n LYS 22 N -4.13 -0.54 -0.02 0.20 5.02 -1.24 -3.68 118.16 113.78 2g46 n LYS 22 Ca -0.02 -2.06 0.00 0.00 -2.02 0.00 0.00 58.31 54.20 2g46 n LYS 22 Cb 0.23 -0.86 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 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 -3.31 -0.07 -4.95 4.39 2.88 0.22 -1.85 113.62 110.94 2g46 n SER 23 Ca 0.14 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.44 2g46 n SER 23 Cb 0.50 -0.01 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 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 3.48 0.00 0.66 0.08 -0.82 -4.93 117.98 114.44 2g46 s PHE 24 Ca 0.00 0.23 0.00 0.00 0.12 0.00 0.00 56.93 57.28 2g46 s PHE 24 Cb 0.00 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 2g46 s PHE 24 CO 0.00 0.29 0.00 -1.91 -0.10 0.00 0.00 175.22 173.50 2g46 n GLU 25 N -1.38 3.04 -1.00 0.44 2.13 -1.26 -1.75 120.64 120.86 2g46 n GLU 25 Ca -0.06 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.56 2g46 n GLU 25 Cb 0.56 0.00 0.14 0.00 0.27 0.00 0.00 31.44 32.40 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 2.03 0.00 5.31 4.81 -1.26 -2.59 118.16 126.46 2g46 n LYS 26 Ca 0.00 -2.42 0.00 0.00 -0.87 0.00 0.00 58.31 55.02 2g46 n LYS 26 Cb 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 35.03 33.10 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 -0.78 -1.50 3.18 3.14 0.00 -0.35 -4.46 105.19 104.42 2g46 n GLY 27 Ca 0.48 0.88 -0.11 0.00 0.00 0.00 0.00 46.02 47.28 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 0.29 -0.11 1.61 2.02 -1.26 -4.85 118.70 116.40 2g46 s GLU 28 Ca 0.00 0.83 -0.35 0.00 0.02 0.00 0.00 54.97 55.47 2g46 s GLU 28 Cb 0.00 0.08 -0.12 0.00 0.10 0.00 0.00 34.13 34.19 2g46 s GLU 28 CO 0.00 -0.22 1.87 -0.11 0.02 0.00 0.00 175.26 176.83 2g46 n LEU 29 N 4.86 3.34 -0.07 1.80 -0.00 -1.26 -3.56 117.00 122.12 2g46 n LEU 29 Ca -0.15 0.98 -0.11 0.00 -0.00 0.00 0.00 56.01 56.73 2g46 n LEU 29 Cb 0.52 -1.35 -0.09 0.00 -0.00 0.00 0.00 43.42 42.50 2g46 n LEU 29 CO 0.05 -0.09 0.18 0.58 -0.00 0.00 0.00 177.39 178.12 2g46 h VAL 30 N 5.47 1.23 -0.46 1.96 2.07 -0.02 -3.47 116.25 123.02 2g46 h VAL 30 Ca -0.48 -1.97 0.14 0.00 0.82 0.00 0.00 66.70 65.21 2g46 h VAL 30 Cb 1.28 2.36 -0.19 0.00 -1.52 0.00 0.00 31.29 33.22 2g46 h VAL 30 CO 0.95 0.42 -0.14 -1.83 0.02 0.00 0.00 177.57 176.98 2g46 s GLU 31 N -2.08 0.29 0.51 1.57 -1.05 -1.26 -5.00 118.70 111.68 2g46 s GLU 31 Ca -0.15 0.16 -0.18 0.00 -0.15 0.00 0.00 54.97 54.64 2g46 s GLU 31 Cb -0.01 0.10 -0.08 0.00 -0.44 0.00 0.00 34.13 33.70 2g46 s GLU 31 CO 0.50 -0.50 1.01 -1.83 0.95 0.00 0.00 175.26 175.39 2g46 s GLU 32 N 2.67 3.83 0.00 -4.83 4.04 -1.26 -4.44 118.70 118.71 2g46 s GLU 32 Ca 0.21 1.17 0.00 0.00 0.04 0.00 0.00 54.97 56.38 2g46 s GLU 32 Cb -0.03 -2.11 0.00 0.00 0.02 0.00 0.00 34.13 32.01 2g46 s GLU 32 CO -0.21 -0.39 0.00 0.00 -1.84 0.00 0.00 175.26 172.83 2g46 s LEU 34 N 0.00 3.03 -0.01 0.00 1.02 -1.26 -1.58 118.68 119.88 2g46 s LEU 34 Ca 0.00 -1.10 -0.16 0.00 0.02 0.00 0.00 54.13 52.89 2g46 s LEU 34 Cb 0.00 -1.43 0.03 0.00 0.02 0.00 0.00 46.19 44.81 2g46 s LEU 34 CO 0.00 -0.67 0.33 0.00 0.02 0.00 0.00 176.35 176.03 2g46 s ILE 36 N -1.43 4.89 -0.13 0.00 1.01 -1.03 -4.71 121.20 119.80 2g46 s ILE 36 Ca -0.13 0.88 0.02 0.00 0.00 0.00 0.00 60.65 61.42 2g46 s ILE 36 Cb -0.05 -3.76 -0.00 0.00 0.01 0.00 0.00 42.46 38.66 2g46 s ILE 36 CO 0.04 0.40 -0.19 -0.69 0.00 0.00 0.00 174.94 174.50 2g46 s VAL 37 N -1.29 2.45 0.35 2.92 1.01 -1.26 -0.95 120.40 123.63 2g46 s VAL 37 Ca 0.32 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 2g46 s VAL 37 Cb -0.16 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.23 2g46 s VAL 37 CO 0.18 0.54 0.53 -0.13 0.00 0.00 0.00 175.10 176.22 2g46 s ARG 38 N 0.55 1.96 0.28 2.72 1.81 0.60 -4.99 118.95 121.88 2g46 s ARG 38 Ca -0.11 -1.68 -0.00 0.00 -1.72 0.00 0.00 55.73 52.21 2g46 s ARG 38 Cb -0.16 0.48 0.06 0.00 -0.45 0.00 0.00 34.95 34.87 2g46 s ARG 38 CO 0.04 -0.83 0.39 0.72 -0.68 0.00 0.00 175.30 174.93 2g46 n HIS 39 N -0.55 -3.23 -0.03 -0.53 8.25 -1.26 -1.16 115.22 116.70 2g46 n HIS 39 Ca -0.01 -0.67 0.00 0.00 -0.26 0.00 0.00 57.72 56.78 2g46 n HIS 39 Cb 0.61 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.44 2g46 n HIS 39 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2g46 n ASN 40 N -2.97 0.00 0.00 0.41 2.85 -1.26 -4.25 115.26 110.03 2g46 n ASN 40 Ca 0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 2g46 n ASN 40 Cb 0.23 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.25 2g46 n ASN 40 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2g46 n ASP 41 N 0.00 0.00 -0.29 1.20 8.00 -1.26 -2.87 116.55 121.32 2g46 n ASP 41 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 2g46 n ASP 41 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.24 2g46 n ASP 41 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2g46 h ASP 42 N 4.95 -0.64 -0.61 -2.24 5.19 -2.00 0.25 116.42 121.31 2g46 h ASP 42 Ca 0.00 0.24 0.12 0.00 -0.62 0.00 0.00 57.03 56.77 2g46 h ASP 42 Cb 0.00 0.48 -0.09 0.00 0.18 0.00 0.00 39.33 39.90 2g46 h ASP 42 CO 0.00 -0.26 0.13 -0.25 -3.12 0.00 0.00 179.24 175.74 2g46 h TRP 43 N 0.02 0.21 -0.62 4.55 2.91 -1.74 0.20 115.95 121.47 2g46 h TRP 43 Ca 0.43 0.04 0.09 0.00 1.13 0.00 0.00 58.89 60.57 2g46 h TRP 43 Cb 0.71 0.00 -0.07 0.00 -0.51 0.00 0.00 29.16 29.30 2g46 h TRP 43 CO -0.58 -0.04 0.26 0.78 -1.03 0.00 0.00 178.44 177.83 2g46 h GLY 44 N 0.26 0.89 0.28 2.65 0.00 -0.60 0.13 103.07 106.68 2g46 h GLY 44 Ca 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 2g46 h GLY 44 CO -0.41 0.02 -0.14 -0.84 0.00 0.00 0.00 176.54 175.17 2g46 h THR 45 N 0.47 0.01 -0.22 4.70 2.02 -0.88 -0.14 112.91 118.86 2g46 h THR 45 Ca 0.31 -0.73 0.06 0.00 0.77 0.00 0.00 66.41 66.82 2g46 h THR 45 Cb 0.35 0.01 -0.07 0.00 -1.74 0.00 0.00 68.15 66.70 2g46 h THR 45 CO -0.28 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 175.31 2g46 h ALA 46 N -1.10 -0.27 -0.43 6.16 0.00 -0.64 -0.14 119.26 122.85 2g46 h ALA 46 Ca -0.04 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2g46 h ALA 46 Cb 0.29 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 2g46 h ALA 46 CO 0.06 -0.75 0.13 1.28 0.00 0.00 0.00 179.25 179.97 2g46 n LEU 47 N -5.40 4.31 -4.44 0.00 7.99 0.46 -4.97 117.00 114.94 2g46 n LEU 47 Ca -0.02 -2.22 -0.36 0.00 -0.01 0.00 0.00 56.01 53.41 2g46 n LEU 47 Cb 0.32 -0.64 0.07 0.00 -0.11 0.00 0.00 43.42 43.06 2g46 n LEU 47 CO 0.13 0.59 -0.02 -1.84 -1.51 0.00 0.00 177.39 174.75 2g46 n GLU 48 N 0.09 0.21 -1.58 3.23 -0.00 -0.07 -4.25 120.64 118.28 2g46 n GLU 48 Ca 0.23 0.11 0.00 0.00 -0.00 0.00 0.00 57.16 57.50 2g46 n GLU 48 Cb 0.95 -1.78 0.00 0.00 -0.00 0.00 0.00 31.44 30.61 2g46 n GLU 48 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2g46 n ASP 49 N -0.22 -8.52 -0.49 -1.84 -0.08 -1.26 -4.66 116.55 99.47 2g46 n ASP 49 Ca 0.09 1.72 -0.06 0.00 -1.51 0.00 0.00 54.79 55.03 2g46 n ASP 49 Cb 0.50 -5.03 -0.03 0.00 2.34 0.00 0.00 41.12 38.91 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 -2.17 0.00 -3.82 -0.67 4.01 -1.26 -4.94 117.16 108.30 2g46 n TYR 50 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.38 2g46 n TYR 50 Cb 0.36 -2.16 -0.13 0.00 -0.31 0.00 0.00 39.34 37.10 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 -1.47 4.34 -0.27 7.72 2.96 -1.26 -2.64 118.68 128.06 2g46 s LEU 51 Ca 0.00 -1.39 -0.20 0.00 -0.22 0.00 0.00 54.13 52.32 2g46 s LEU 51 Cb 0.00 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 2g46 s LEU 51 CO 0.00 -0.35 0.63 -0.36 -1.32 0.00 0.00 176.35 174.95 2g46 s PHE 52 N 1.28 3.26 -0.11 5.38 0.08 0.47 -4.80 117.98 123.55 2g46 s PHE 52 Ca -0.01 0.73 -0.01 0.00 0.12 0.00 0.00 56.93 57.76 2g46 s PHE 52 Cb -0.20 -2.90 -0.03 0.00 -0.57 0.00 0.00 43.02 39.32 2g46 s PHE 52 CO -0.00 -0.38 -0.04 0.45 -0.10 0.00 0.00 175.22 175.14 2g46 s SER 53 N 1.53 4.81 0.12 1.36 0.15 -1.26 -1.56 113.70 118.86 2g46 s SER 53 Ca 0.26 -0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.89 2g46 s SER 53 Cb -0.15 -1.47 0.02 0.00 -1.71 0.00 0.00 66.02 62.70 2g46 s SER 53 CO 0.10 0.29 0.15 -1.14 1.20 0.00 0.00 173.24 173.84 2g46 n ARG 54 N 2.72 1.01 -2.09 5.44 0.63 -0.54 -4.96 116.66 118.87 2g46 n ARG 54 Ca -0.18 -0.67 -0.42 0.00 -0.92 0.00 0.00 57.85 55.66 2g46 n ARG 54 Cb 0.53 -0.02 0.00 0.00 0.45 0.00 0.00 32.46 33.42 2g46 n ARG 54 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2g46 n LYS 55 N -1.15 3.08 0.00 -0.14 4.81 -1.26 -2.80 118.16 120.70 2g46 n LYS 55 Ca 0.03 -2.97 0.00 0.00 -0.87 0.00 0.00 58.31 54.49 2g46 n LYS 55 Cb 0.13 -3.27 0.00 0.00 0.02 0.00 0.00 35.03 31.91 2g46 n LYS 55 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2g46 n ASN 56 N 6.26 0.00 -2.04 3.14 4.13 -1.26 -5.16 115.26 120.33 2g46 n ASN 56 Ca 0.49 0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.76 2g46 n ASN 56 Cb 0.40 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.65 2g46 n ASN 56 CO 0.00 0.00 0.00 1.15 0.28 0.00 0.00 177.26 178.69 2g46 n MET 57 N 0.00 0.03 -4.40 3.52 0.00 -1.12 -5.02 117.12 110.13 2g46 n MET 57 Ca 0.00 -0.22 -0.31 0.00 0.00 0.00 0.00 57.70 57.17 2g46 n MET 57 Cb 0.00 0.40 -0.11 0.00 0.00 0.00 0.00 33.22 33.51 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 -2.03 4.37 0.02 3.17 0.01 -0.31 -1.47 113.70 117.47 2g46 s SER 58 Ca 0.11 -0.30 -0.03 0.00 1.31 0.00 0.00 55.95 57.04 2g46 s SER 58 Cb -0.00 -0.89 -0.01 0.00 0.21 0.00 0.00 66.02 65.33 2g46 s SER 58 CO -0.01 0.23 0.03 0.00 0.41 0.00 0.00 173.24 173.91 2g46 s ALA 59 N -1.08 0.01 0.37 1.44 0.00 -0.60 -0.29 121.76 121.61 2g46 s ALA 59 Ca 0.19 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.57 2g46 s ALA 59 Cb -0.11 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 2g46 s ALA 59 CO 0.10 -0.22 0.65 1.41 0.00 0.00 0.00 175.76 177.71 2g46 s MET 60 N -1.84 3.62 -0.85 0.00 1.75 -0.12 -0.39 119.30 121.46 2g46 s MET 60 Ca -0.12 0.09 -0.21 0.00 -1.25 0.00 0.00 55.69 54.21 2g46 s MET 60 Cb -0.06 -2.53 0.10 0.00 2.84 0.00 0.00 34.83 35.17 2g46 s MET 60 CO -0.02 0.05 1.11 0.00 -0.65 0.00 0.00 175.02 175.52 2g46 s ALA 61 N -2.33 3.20 0.04 4.11 0.00 -1.08 -2.46 121.76 123.23 2g46 s ALA 61 Ca 0.46 -2.39 -0.16 0.00 0.00 0.00 0.00 51.96 49.86 2g46 s ALA 61 Cb -0.10 -4.05 -0.08 0.00 0.00 0.00 0.00 23.12 18.89 2g46 s ALA 61 CO 0.35 -2.99 1.25 1.37 0.00 0.00 0.00 175.76 175.74 2g46 h LEU 62 N 11.03 -0.65 0.00 0.00 8.10 -1.54 -3.37 115.31 128.88 2g46 h LEU 62 Ca 0.01 0.05 0.00 0.00 0.11 0.00 0.00 57.88 58.06 2g46 h LEU 62 Cb 1.04 0.22 0.00 0.00 -0.44 0.00 0.00 40.66 41.47 2g46 h LEU 62 CO 1.17 -0.30 0.00 0.61 -4.11 0.00 0.00 178.44 175.81 2g46 n GLY 63 N -1.25 -3.35 2.43 0.17 0.00 -1.04 -4.63 105.19 97.52 2g46 n GLY 63 Ca -0.05 -1.19 -0.28 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.92 1.66 -0.00 1.61 3.01 -1.26 -4.32 117.46 117.23 2g46 n PHE 64 Ca 0.00 -2.35 -0.17 0.00 1.01 0.00 0.00 57.45 55.94 2g46 n PHE 64 Cb 0.00 -1.98 -0.14 0.00 -0.01 0.00 0.00 39.48 37.35 2g46 n PHE 64 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2g46 n GLY 65 N 3.56 -0.72 0.23 1.37 0.00 -1.26 -4.21 105.19 104.17 2g46 n GLY 65 Ca 0.58 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 2g46 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g46 h ALA 66 N 0.41 0.46 -0.90 4.61 0.00 -1.77 -3.10 119.26 118.98 2g46 h ALA 66 Ca -0.37 -0.43 0.21 0.00 0.00 0.00 0.00 54.91 54.32 2g46 h ALA 66 Cb 2.03 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.66 2g46 h ALA 66 CO 0.09 0.52 0.60 -0.84 0.00 0.00 0.00 179.25 179.62 2g46 h ILE 67 N 0.54 0.66 -1.67 0.00 -0.00 -1.76 -3.41 117.51 111.87 2g46 h ILE 67 Ca 0.05 -0.12 -0.71 0.00 -0.00 0.00 0.00 64.86 64.08 2g46 h ILE 67 Cb 0.93 0.27 0.01 0.00 -0.00 0.00 0.00 36.82 38.03 2g46 h ILE 67 CO 0.08 0.07 0.97 0.49 -0.00 0.00 0.00 178.15 179.76 2g46 n PHE 68 N -4.49 2.13 -2.78 0.16 3.72 -1.17 -3.69 117.46 111.33 2g46 n PHE 68 Ca 0.19 0.38 -0.21 0.00 -0.05 0.00 0.00 57.45 57.76 2g46 n PHE 68 Cb 0.73 -2.52 0.08 0.00 -0.94 0.00 0.00 39.48 36.83 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 3.77 4.82 -0.47 4.37 0.01 -1.26 -4.70 114.94 121.49 2g46 s ASN 69 Ca 0.97 -0.49 -0.18 0.00 -0.71 0.00 0.00 52.86 52.44 2g46 s ASN 69 Cb -0.97 -0.06 0.04 0.00 0.41 0.00 0.00 41.25 40.68 2g46 s ASN 69 CO 0.62 -1.51 0.54 -2.28 -1.51 0.00 0.00 177.10 172.96 2g46 s HIS 70 N -2.87 3.11 -0.12 2.20 2.46 -1.25 -2.88 115.29 115.94 2g46 s HIS 70 Ca 0.63 -0.46 0.01 0.00 0.47 0.00 0.00 55.06 55.70 2g46 s HIS 70 Cb -0.06 -3.26 -0.01 0.00 -0.13 0.00 0.00 32.58 29.12 2g46 s HIS 70 CO 0.41 -0.87 -0.16 0.45 -2.47 0.00 0.00 174.74 172.09 2g46 s SER 71 N 2.29 3.77 0.58 9.88 0.15 -1.26 -4.98 113.70 124.13 2g46 s SER 71 Ca 0.14 -0.39 0.28 0.00 0.70 0.00 0.00 55.95 56.68 2g46 s SER 71 Cb -0.18 -1.56 1.51 0.00 -1.71 0.00 0.00 66.02 64.08 2g46 s SER 71 CO 0.13 0.16 1.96 0.11 1.20 0.00 0.00 173.24 176.80 2g46 h LYS 72 N 6.70 0.00 -3.16 5.44 1.79 -1.97 -3.03 116.57 122.35 2g46 h LYS 72 Ca -0.24 0.00 -0.74 0.00 -2.18 0.00 0.00 60.65 57.49 2g46 h LYS 72 Cb 1.22 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.55 2g46 h LYS 72 CO 0.53 0.00 0.21 -0.25 -1.08 0.00 0.00 179.45 178.87 2g46 n ASP 73 N -3.82 5.05 -4.57 0.86 8.00 -1.26 -4.93 116.55 115.88 2g46 n ASP 73 Ca 0.07 -3.21 -0.39 0.00 0.71 0.00 0.00 54.79 51.97 2g46 n ASP 73 Cb 0.59 -1.15 -0.03 0.00 -0.02 0.00 0.00 41.12 40.51 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 -1.83 2.63 0.10 -0.24 0.04 -1.15 -4.79 135.00 129.77 2g46 s PRO 74 Ca 0.31 1.50 0.22 0.00 0.04 0.00 0.00 61.00 63.07 2g46 s PRO 74 Cb -0.02 -4.45 -0.14 0.00 0.04 0.00 0.00 34.50 29.92 2g46 s PRO 74 CO -0.05 -2.68 0.80 0.09 0.04 0.00 0.00 177.00 175.21 2g46 n ASN 75 N 13.53 0.48 -4.39 6.66 3.02 -1.26 -4.78 115.26 128.52 2g46 n ASN 75 Ca 0.31 0.17 -0.29 0.00 -0.03 0.00 0.00 54.58 54.74 2g46 n ASN 75 Cb 0.50 1.11 -0.08 0.00 -0.61 0.00 0.00 39.78 40.71 2g46 n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2g46 s ALA 76 N -3.43 3.42 0.21 5.41 0.00 -1.26 -1.45 121.76 124.66 2g46 s ALA 76 Ca -0.04 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 2g46 s ALA 76 Cb 0.12 0.44 -0.01 0.00 0.00 0.00 0.00 23.12 23.67 2g46 s ALA 76 CO 0.84 -0.20 0.39 1.03 0.00 0.00 0.00 175.76 177.81 2g46 s ARG 77 N -3.78 1.38 -0.12 0.00 0.52 -0.83 -4.60 118.95 111.53 2g46 s ARG 77 Ca 0.17 -1.24 0.03 0.00 -0.52 0.00 0.00 55.73 54.16 2g46 s ARG 77 Cb 0.02 0.42 0.01 0.00 0.52 0.00 0.00 34.95 35.93 2g46 s ARG 77 CO 0.10 -0.55 -0.21 -3.38 0.02 0.00 0.00 175.30 171.28 2g46 s HIS 78 N -4.01 2.44 0.45 -0.53 -3.43 -1.26 -1.72 115.29 107.23 2g46 s HIS 78 Ca 0.22 -1.13 0.07 0.00 -0.80 0.00 0.00 55.06 53.42 2g46 s HIS 78 Cb 0.01 -1.67 -0.01 0.00 -1.43 0.00 0.00 32.58 29.49 2g46 s HIS 78 CO 0.06 -0.51 0.35 -2.00 -2.00 0.00 0.00 174.74 170.64 2g46 s GLU 79 N 0.67 2.38 0.07 -0.38 2.12 0.70 -4.94 118.70 119.33 2g46 s GLU 79 Ca -0.11 -1.74 0.09 0.00 0.36 0.00 0.00 54.97 53.57 2g46 s GLU 79 Cb -0.16 -2.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.98 2g46 s GLU 79 CO 0.02 -0.30 -0.25 -0.51 -0.54 0.00 0.00 175.26 173.68 2g46 s LEU 80 N -4.13 2.21 0.04 2.70 1.43 -1.26 -1.28 118.68 118.39 2g46 s LEU 80 Ca 0.43 -0.61 0.07 0.00 -1.03 0.00 0.00 54.13 52.99 2g46 s LEU 80 Cb -0.01 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 2g46 s LEU 80 CO 0.25 0.20 -0.20 -0.89 0.23 0.00 0.00 176.35 175.94 2g46 s THR 81 N -0.89 2.63 -1.32 5.49 2.01 0.17 -4.62 115.64 119.12 2g46 s THR 81 Ca 0.11 -1.22 -0.06 0.00 0.31 0.00 0.00 61.69 60.83 2g46 s THR 81 Cb -0.10 -2.09 0.04 0.00 0.01 0.00 0.00 72.50 70.36 2g46 s THR 81 CO 0.03 0.36 0.40 0.00 -0.69 0.00 0.00 174.62 174.71 2g46 n ALA 82 N 1.64 -0.96 0.00 7.40 0.00 -1.26 -2.07 120.51 125.25 2g46 n ALA 82 Ca -0.16 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2g46 n ALA 82 Cb 0.52 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.21 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 -1.18 1.81 0.57 0.00 0.00 -1.26 -3.54 105.19 101.59 2g46 n GLY 83 Ca -0.08 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 2.19 0.00 0.99 4.32 -1.25 -4.80 117.00 118.45 2g46 n LEU 84 Ca 0.00 -3.22 0.00 0.00 -0.02 0.00 0.00 56.01 52.77 2g46 n LEU 84 Cb 0.00 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.41 2g46 n LEU 84 CO 0.00 1.01 0.00 0.29 -1.22 0.00 0.00 177.39 177.47 2g46 n LYS 85 N -0.91 0.00 -3.22 3.23 4.76 -1.00 -4.53 118.16 116.49 2g46 n LYS 85 Ca 0.15 0.18 -0.21 0.00 -2.87 0.00 0.00 58.31 55.56 2g46 n LYS 85 Cb 0.74 -0.60 0.04 0.00 -1.84 0.00 0.00 35.03 33.37 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 -0.69 2.33 0.04 1.97 0.52 -0.88 0.09 118.95 122.33 2g46 s ARG 86 Ca 0.00 -1.69 0.02 0.00 -0.52 0.00 0.00 55.73 53.53 2g46 s ARG 86 Cb 0.00 -2.54 -0.02 0.00 0.52 0.00 0.00 34.95 32.91 2g46 s ARG 86 CO 0.00 -0.76 -0.07 -1.64 0.02 0.00 0.00 175.30 172.85 2g46 s MET 87 N -4.56 0.49 -0.26 3.54 -1.94 -0.61 0.43 119.30 116.39 2g46 s MET 87 Ca 0.55 -0.75 -0.02 0.00 -1.71 0.00 0.00 55.69 53.76 2g46 s MET 87 Cb -0.05 -0.19 0.08 0.00 2.01 0.00 0.00 34.83 36.68 2g46 s MET 87 CO 0.35 0.02 0.07 0.50 -0.01 0.00 0.00 175.02 175.95 2g46 s ARG 88 N -1.67 0.68 0.08 2.03 3.52 -0.40 -2.03 118.95 121.16 2g46 s ARG 88 Ca -0.10 -0.76 -0.19 0.00 -0.13 0.00 0.00 55.73 54.54 2g46 s ARG 88 Cb -0.09 -1.98 -0.07 0.00 -1.56 0.00 0.00 34.95 31.25 2g46 s ARG 88 CO -0.00 -0.84 0.58 0.42 -0.81 0.00 0.00 175.30 174.65 2g46 s ILE 89 N 1.75 4.73 0.00 4.11 1.01 -1.26 -0.21 121.20 131.32 2g46 s ILE 89 Ca 0.05 1.23 0.00 0.00 0.00 0.00 0.00 60.65 61.93 2g46 s ILE 89 Cb -0.17 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2g46 s ILE 89 CO -0.19 0.55 0.00 0.49 0.00 0.00 0.00 174.94 175.79 2g46 n PHE 90 N 1.69 0.00 -3.87 3.97 3.01 -0.70 0.72 117.46 122.28 2g46 n PHE 90 Ca -0.10 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.06 2g46 n PHE 90 Cb 0.51 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.83 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 -1.19 1.73 0.26 4.37 -4.23 -1.23 -1.97 115.64 113.38 2g46 s THR 91 Ca 0.00 -2.21 0.34 0.00 -1.18 0.00 0.00 61.69 58.64 2g46 s THR 91 Cb 0.00 -2.27 0.34 0.00 1.34 0.00 0.00 72.50 71.91 2g46 s THR 91 CO 0.00 -0.70 2.03 0.16 -0.54 0.00 0.00 174.62 175.57 2g46 h ILE 92 N 6.21 0.00 -3.34 2.99 3.07 -1.64 -0.92 117.51 123.88 2g46 h ILE 92 Ca -0.07 0.00 -0.22 0.00 1.55 0.00 0.00 64.86 66.12 2g46 h ILE 92 Cb 0.99 0.75 -0.29 0.00 -0.27 0.00 0.00 36.82 37.99 2g46 h ILE 92 CO 0.52 0.00 -0.59 -0.54 -1.05 0.00 0.00 178.15 176.49 2g46 s LYS 93 N -3.86 0.11 0.17 0.16 1.02 -0.53 -4.80 119.74 112.01 2g46 s LYS 93 Ca -0.04 0.28 -0.32 0.00 0.02 0.00 0.00 55.97 55.91 2g46 s LYS 93 Cb 0.10 -0.06 -0.16 0.00 -0.52 0.00 0.00 37.83 37.18 2g46 s LYS 93 CO 0.31 -0.10 1.04 -2.30 -0.92 0.00 0.00 175.35 173.38 2g46 n PRO 94 N 3.65 0.91 -4.83 -1.68 -0.02 -1.07 -4.69 135.00 127.26 2g46 n PRO 94 Ca -0.20 0.32 -0.32 0.00 -2.02 0.00 0.00 63.50 61.29 2g46 n PRO 94 Cb 0.55 -1.73 -0.13 0.00 -0.02 0.00 0.00 33.50 32.17 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 -0.40 2.83 0.50 4.25 1.01 -0.72 -4.96 121.20 123.71 2g46 s ILE 95 Ca 0.72 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 2g46 s ILE 95 Cb -0.89 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.44 2g46 s ILE 95 CO 0.54 0.47 0.77 0.00 0.00 0.00 0.00 174.94 176.73 2g46 s ALA 96 N -0.81 3.51 -0.15 9.38 0.00 -1.25 0.72 121.76 133.15 2g46 s ALA 96 Ca 0.13 -0.80 -0.29 0.00 0.00 0.00 0.00 51.96 51.00 2g46 s ALA 96 Cb -0.10 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.57 2g46 s ALA 96 CO 0.03 -0.50 1.85 0.42 0.00 0.00 0.00 175.76 177.55 2g46 s ILE 97 N -2.74 3.37 0.00 0.00 1.01 -0.77 -2.91 121.20 119.16 2g46 s ILE 97 Ca 0.50 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.56 2g46 s ILE 97 Cb -0.10 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.00 2g46 s ILE 97 CO 0.42 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.82 2g46 n GLY 98 N 4.88 0.96 3.87 6.18 0.00 0.25 -4.94 105.19 116.39 2g46 n GLY 98 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 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 0.08 2.25 -0.26 1.61 0.41 -1.07 -4.91 118.70 116.83 2g46 s GLU 99 Ca 0.00 -2.05 -0.04 0.00 -0.41 0.00 0.00 54.97 52.47 2g46 s GLU 99 Cb 0.00 -2.01 0.01 0.00 -1.78 0.00 0.00 34.13 30.35 2g46 s GLU 99 CO 0.00 -0.53 -0.01 -2.00 -0.49 0.00 0.00 175.26 172.24 2g46 s GLU 100 N -4.19 3.10 -0.18 1.61 -6.30 -1.26 -0.80 118.70 110.68 2g46 s GLU 100 Ca 0.31 -0.82 -0.20 0.00 -2.50 0.00 0.00 54.97 51.76 2g46 s GLU 100 Cb -0.01 -3.13 -0.03 0.00 0.00 0.00 0.00 34.13 30.96 2g46 s GLU 100 CO 0.19 -0.35 0.57 0.42 0.02 0.00 0.00 175.26 176.11 2g46 s ILE 101 N 1.43 5.07 -0.24 -3.70 1.01 0.22 -4.88 121.20 120.11 2g46 s ILE 101 Ca 0.03 1.08 -0.19 0.00 0.00 0.00 0.00 60.65 61.57 2g46 s ILE 101 Cb -0.16 -3.90 0.07 0.00 0.01 0.00 0.00 42.46 38.48 2g46 s ILE 101 CO -0.02 0.17 0.62 0.42 0.00 0.00 0.00 174.94 176.13 2g46 s THR 102 N 1.59 -0.00 0.43 2.92 -4.23 -1.26 -2.97 115.64 112.11 2g46 s THR 102 Ca 0.27 0.01 0.08 0.00 -1.18 0.00 0.00 61.69 60.87 2g46 s THR 102 Cb -0.16 -0.88 0.01 0.00 1.34 0.00 0.00 72.50 72.81 2g46 s THR 102 CO 0.10 0.00 0.56 0.27 -0.54 0.00 0.00 174.62 175.02 2g46 s ILE 103 N 0.84 2.91 0.00 2.99 -5.25 -1.14 -4.20 121.20 117.35 2g46 s ILE 103 Ca -0.04 -1.04 0.00 0.00 -0.99 0.00 0.00 60.65 58.58 2g46 s ILE 103 Cb -0.05 -2.96 0.00 0.00 2.95 0.00 0.00 42.46 42.40 2g46 s ILE 103 CO -0.07 0.00 0.00 -1.54 -1.79 0.00 0.00 174.94 171.54 2g46 n SER 104 N -1.83 0.56 0.06 4.36 3.41 -1.26 -3.93 113.62 114.98 2g46 n SER 104 Ca 0.08 -0.68 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 2g46 n SER 104 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 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 -0.49 -0.41 -1.15 7.33 4.01 -1.26 -5.03 117.16 120.16 2g46 n TYR 105 Ca 0.00 0.07 0.14 0.00 -0.16 0.00 0.00 57.90 57.95 2g46 n TYR 105 Cb 0.00 0.10 -0.08 0.00 -0.31 0.00 0.00 39.34 39.06 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 3.08 -3.23 2.34 2.72 0.00 -1.24 -4.94 105.19 103.93 2g46 n GLY 106 Ca 0.00 -1.13 -0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.87 -8.11 0.00 1.61 -0.08 -1.26 -4.13 116.55 100.70 2g46 n ASP 107 Ca -0.08 1.76 0.00 0.00 -1.51 0.00 0.00 54.79 54.97 2g46 n ASP 107 Cb 0.55 -4.81 0.00 0.00 2.34 0.00 0.00 41.12 39.20 2g46 n ASP 107 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2g46 n ASP 108 N 1.88 0.00 -4.35 1.67 2.03 -1.26 -4.78 116.55 111.73 2g46 n ASP 108 Ca -0.02 0.00 -0.58 0.00 0.52 0.00 0.00 54.79 54.71 2g46 n ASP 108 Cb 0.03 0.00 -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 0.00 -1.92 0.00 0.00 177.20 175.28 2g46 n TYR 109 N 0.00 1.35 -2.41 -0.67 9.36 -1.26 -4.59 117.16 118.94 2g46 n TYR 109 Ca 0.00 0.65 0.00 0.00 3.32 0.00 0.00 57.90 61.87 2g46 n TYR 109 Cb 0.00 -2.36 0.00 0.00 -0.63 0.00 0.00 39.34 36.35 2g46 n TYR 109 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 2g46 n TRP 110 N 7.84 -0.52 -1.60 2.98 8.01 -1.26 -3.89 117.44 128.99 2g46 n TRP 110 Ca 0.49 0.00 -0.44 0.00 -1.31 0.00 0.00 57.50 56.24 2g46 n TRP 110 Cb 0.04 0.10 -0.01 0.00 -2.01 0.00 0.00 31.31 29.43 2g46 n TRP 110 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.69 176.57 2g46 n LEU 111 N 0.00 2.07 0.00 -0.99 0.00 -1.26 -4.77 117.00 112.05 2g46 n LEU 111 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 56.01 57.18 2g46 n LEU 111 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 43.42 42.10 2g46 n LEU 111 CO 0.00 -1.29 0.00 -0.24 0.00 0.00 0.00 177.39 175.86 2g46 n SER 112 N 1.12 0.00 -4.45 1.96 2.88 -1.26 -3.60 113.62 110.27 2g46 n SER 112 Ca 0.09 0.00 -0.48 0.00 -1.33 0.00 0.00 58.87 57.15 2g46 n SER 112 Cb 0.33 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.70 2g46 n SER 112 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2g46 n ARG 113 N 0.00 0.70 -2.23 -1.46 1.74 -1.26 -4.44 116.66 109.72 2g46 n ARG 113 Ca 0.00 0.14 -0.36 0.00 -0.77 0.00 0.00 57.85 56.86 2g46 n ARG 113 Cb 0.00 -2.29 -0.04 0.00 -1.02 0.00 0.00 32.46 29.12 2g46 n ARG 113 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2g46 s PRO 114 N 7.10 2.87 -0.73 5.56 0.04 -1.26 -4.93 135.00 143.64 2g46 s PRO 114 Ca 1.15 -0.10 -0.26 0.00 0.04 0.00 0.00 61.00 61.82 2g46 s PRO 114 Cb -0.92 -4.71 0.04 0.00 0.04 0.00 0.00 34.50 28.95 2g46 s PRO 114 CO 0.48 -2.73 1.22 1.03 0.04 0.00 0.00 177.00 177.04 2g46 s ARG 115 N 6.44 3.18 0.06 4.56 3.00 -1.26 -4.98 118.95 129.95 2g46 s ARG 115 Ca 0.58 -0.39 0.03 0.00 0.00 0.00 0.00 55.73 55.95 2g46 s ARG 115 Cb -0.08 -4.22 -0.03 0.00 0.00 0.00 0.00 34.95 30.62 2g46 s ARG 115 CO 0.08 -2.08 -0.09 -1.17 0.00 0.00 0.00 175.30 172.05 2g46 s LEU 116 N 5.36 2.30 0.30 2.53 2.96 -1.26 -5.16 118.68 125.70 2g46 s LEU 116 Ca 0.33 -0.64 0.09 0.00 -0.22 0.00 0.00 54.13 53.69 2g46 s LEU 116 Cb -0.10 -0.21 -0.06 0.00 0.50 0.00 0.00 46.19 46.32 2g46 s LEU 116 CO 0.13 -0.22 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.94 2g46 s THR 117 N -1.72 2.08 -0.61 3.68 2.01 -1.26 -5.04 115.64 114.78 2g46 s THR 117 Ca -0.05 -2.23 -0.28 0.00 0.31 0.00 0.00 61.69 59.44 2g46 s THR 117 Cb -0.08 -2.45 -0.11 0.00 0.01 0.00 0.00 72.50 69.87 2g46 s THR 117 CO 0.00 -0.32 2.48 1.67 -0.69 0.00 0.00 174.62 177.76 2g46 n GLN 118 N -0.65 0.80 -0.32 4.92 7.27 -1.26 -5.19 117.38 122.95 2g46 n GLN 118 Ca -0.05 0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.04 2g46 n GLN 118 Cb 0.62 -2.89 0.00 0.00 2.41 0.00 0.00 30.24 30.38 2g46 n GLN 118 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22