#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 1.46 -3.94 2.03 1.16 -1.26 -4.72 117.46 112.18 2g46 n PHE 2 Ca 0.00 0.54 -0.09 0.00 -1.87 0.00 0.00 57.45 56.03 2g46 n PHE 2 Cb 0.00 -2.27 -0.08 0.00 -1.61 0.00 0.00 39.48 35.52 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 -0.70 0.14 -0.70 5.98 2.47 -0.29 -5.00 114.94 116.84 2g46 s ASN 3 Ca 0.63 -0.82 -0.09 0.00 0.42 0.00 0.00 52.86 53.00 2g46 s ASN 3 Cb -0.54 0.36 -0.08 0.00 -1.45 0.00 0.00 41.25 39.55 2g46 s ASN 3 CO 0.57 -0.78 1.87 0.47 -3.72 0.00 0.00 177.10 175.51 2g46 n ASP 4 N -0.11 3.51 0.00 -4.21 9.92 -1.26 -2.30 116.55 122.10 2g46 n ASP 4 Ca -0.11 -2.34 0.00 0.00 -0.53 0.00 0.00 54.79 51.81 2g46 n ASP 4 Cb 0.63 -0.98 0.00 0.00 -0.64 0.00 0.00 41.12 40.13 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 5.02 0.00 -3.91 -1.24 1.74 -1.26 -5.07 116.66 111.93 2g46 n ARG 5 Ca 0.38 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.35 2g46 n ARG 5 Cb 0.17 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.62 2g46 n ARG 5 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2g46 s VAL 6 N 0.00 0.00 0.23 1.55 -7.23 -0.97 -2.93 120.40 111.05 2g46 s VAL 6 Ca 0.00 -1.23 -0.20 0.00 -1.81 0.00 0.00 61.98 58.74 2g46 s VAL 6 Cb 0.00 -2.88 0.03 0.00 0.56 0.00 0.00 36.38 34.09 2g46 s VAL 6 CO 0.00 0.00 0.63 -0.51 -0.31 0.00 0.00 175.10 174.91 2g46 s ILE 7 N -2.39 0.01 0.00 -0.62 2.07 -1.06 -1.13 121.20 118.07 2g46 s ILE 7 Ca 0.22 -0.76 0.02 0.00 -1.41 0.00 0.00 60.65 58.72 2g46 s ILE 7 Cb -0.03 -1.70 -0.04 0.00 0.13 0.00 0.00 42.46 40.82 2g46 s ILE 7 CO 0.16 -0.03 -0.01 0.54 -1.91 0.00 0.00 174.94 173.69 2g46 s VAL 8 N -3.88 4.07 -0.00 4.00 0.11 -1.26 -0.18 120.40 123.25 2g46 s VAL 8 Ca 0.09 -0.64 -0.01 0.00 -2.93 0.00 0.00 61.98 58.49 2g46 s VAL 8 Cb -0.03 -2.81 -0.00 0.00 -1.53 0.00 0.00 36.38 32.00 2g46 s VAL 8 CO 0.01 0.37 0.02 -0.54 -3.33 0.00 0.00 175.10 171.63 2g46 s LYS 9 N -1.56 0.12 -1.18 1.54 1.02 -0.48 -4.83 119.74 114.37 2g46 s LYS 9 Ca 0.19 -0.13 -0.12 0.00 0.02 0.00 0.00 55.97 55.93 2g46 s LYS 9 Cb -0.11 0.05 -0.02 0.00 -0.52 0.00 0.00 37.83 37.23 2g46 s LYS 9 CO 0.10 -0.02 0.76 1.63 -0.92 0.00 0.00 175.35 176.90 2g46 n LYS 10 N 2.66 -2.35 -2.05 1.68 4.76 -0.76 0.43 118.16 122.52 2g46 n LYS 10 Ca -0.15 0.56 -0.09 0.00 -2.87 0.00 0.00 58.31 55.75 2g46 n LYS 10 Cb 0.59 -4.67 0.02 0.00 -1.84 0.00 0.00 35.03 29.13 2g46 n LYS 10 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2g46 n SER 11 N -2.87 1.20 -0.15 4.39 7.64 -1.26 -5.01 113.62 117.56 2g46 n SER 11 Ca -0.15 -1.67 -0.03 0.00 1.01 0.00 0.00 58.87 58.04 2g46 n SER 11 Cb 0.62 -0.10 0.06 0.00 -1.01 0.00 0.00 64.21 63.78 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 0.23 -0.01 1.43 0.11 -1.99 -3.37 132.00 128.40 2g46 h PRO 12 Ca -0.12 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.83 2g46 h PRO 12 Cb 0.50 -0.05 -0.18 0.00 0.11 0.00 0.00 31.00 31.38 2g46 h PRO 12 CO 0.18 0.15 -0.42 -0.11 -0.21 0.00 0.00 178.00 177.59 2g46 n LEU 13 N -5.11 -0.69 0.00 2.35 7.94 -1.26 -5.13 117.00 115.10 2g46 n LEU 13 Ca 0.05 -2.12 0.00 0.00 -1.11 0.00 0.00 56.01 52.83 2g46 n LEU 13 Cb 0.24 0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.20 2g46 n LEU 13 CO 0.21 1.36 0.00 0.61 -1.11 0.00 0.00 177.39 178.46 2g46 n GLY 14 N -0.07 2.54 0.00 -3.96 0.00 -1.26 -5.14 105.19 97.30 2g46 n GLY 14 Ca -0.21 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 2.35 3.12 -0.02 0.00 -1.26 -4.69 105.19 109.69 2g46 n GLY 15 Ca 0.00 -1.84 -0.39 0.00 0.00 0.00 0.00 46.02 43.78 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 4.26 -3.25 1.61 4.02 -1.25 -1.83 117.16 120.72 2g46 n TYR 16 Ca 0.00 -3.84 0.00 0.00 -0.01 0.00 0.00 57.90 54.05 2g46 n TYR 16 Cb 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 39.34 38.01 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 2.18 5.00 3.28 2.72 0.00 0.17 -4.53 105.19 114.00 2g46 n GLY 17 Ca 0.24 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.82 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 0.38 2.44 0.40 1.61 0.11 -1.17 -1.38 120.40 122.78 2g46 s VAL 18 Ca 0.00 -0.88 -0.05 0.00 -2.93 0.00 0.00 61.98 58.12 2g46 s VAL 18 Cb 0.00 -1.97 -0.04 0.00 -1.53 0.00 0.00 36.38 32.84 2g46 s VAL 18 CO 0.00 0.55 0.68 -0.36 -3.33 0.00 0.00 175.10 172.64 2g46 s PHE 19 N 0.34 3.52 -0.56 1.54 0.40 0.75 0.12 117.98 124.08 2g46 s PHE 19 Ca -0.16 0.71 -0.09 0.00 -0.60 0.00 0.00 56.93 56.79 2g46 s PHE 19 Cb -0.17 -2.19 0.15 0.00 0.51 0.00 0.00 43.02 41.32 2g46 s PHE 19 CO 0.08 -0.07 0.44 0.00 0.70 0.00 0.00 175.22 176.36 2g46 s ALA 20 N -2.46 3.55 -0.08 5.36 0.00 0.77 -2.56 121.76 126.34 2g46 s ALA 20 Ca 0.45 -2.83 0.31 0.00 0.00 0.00 0.00 51.96 49.89 2g46 s ALA 20 Cb -0.10 -2.90 1.25 0.00 0.00 0.00 0.00 23.12 21.37 2g46 s ALA 20 CO 0.38 -2.01 1.90 -0.09 0.00 0.00 0.00 175.76 175.94 2g46 h ARG 21 N 8.02 0.00 -6.78 0.00 2.43 -1.81 -2.63 114.38 113.61 2g46 h ARG 21 Ca -0.11 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.58 2g46 h ARG 21 Cb 1.04 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 30.63 2g46 h ARG 21 CO 0.81 0.00 -0.04 0.15 -1.51 0.00 0.00 179.97 179.38 2g46 s LYS 22 N -3.56 2.14 0.00 0.20 -0.14 -1.15 -3.97 119.74 113.26 2g46 s LYS 22 Ca 0.02 -1.47 0.00 0.00 -1.36 0.00 0.00 55.97 53.17 2g46 s LYS 22 Cb 0.09 -2.56 0.00 0.00 -1.68 0.00 0.00 37.83 33.68 2g46 s LYS 22 CO 0.50 -1.02 0.00 0.43 -0.76 0.00 0.00 175.35 174.50 2g46 n SER 23 N -2.41 0.00 -4.57 2.83 7.64 0.43 -2.87 113.62 114.66 2g46 n SER 23 Ca 0.15 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.77 2g46 n SER 23 Cb 0.61 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.72 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 2.63 0.00 1.43 0.08 -1.03 -4.97 117.98 114.12 2g46 s PHE 24 Ca 0.00 -0.23 0.00 0.00 0.12 0.00 0.00 56.93 56.82 2g46 s PHE 24 Cb 0.00 -1.27 0.00 0.00 -0.57 0.00 0.00 43.02 41.18 2g46 s PHE 24 CO 0.00 0.53 0.00 0.39 -0.10 0.00 0.00 175.22 176.04 2g46 n GLU 25 N -0.08 0.00 -2.85 0.44 1.02 -1.26 -2.60 120.64 115.31 2g46 n GLU 25 Ca -0.10 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.07 2g46 n GLU 25 Cb 0.56 -0.21 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 2g46 n GLU 25 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2g46 s LYS 26 N 0.00 0.16 0.00 3.49 2.20 -1.26 -1.36 119.74 122.96 2g46 s LYS 26 Ca 0.00 -0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 2g46 s LYS 26 Cb 0.00 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 2g46 s LYS 26 CO 0.00 -0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.16 2g46 n GLY 27 N 3.99 1.85 3.92 5.54 0.00 -0.75 -4.96 105.19 114.78 2g46 n GLY 27 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.01 3.52 -0.17 1.61 2.02 -1.26 -4.80 118.70 119.61 2g46 s GLU 28 Ca 0.00 -0.33 -0.29 0.00 0.02 0.00 0.00 54.97 54.37 2g46 s GLU 28 Cb 0.00 -2.90 -0.01 0.00 0.10 0.00 0.00 34.13 31.32 2g46 s GLU 28 CO 0.00 0.48 1.12 -1.17 0.02 0.00 0.00 175.26 175.71 2g46 s LEU 29 N -2.95 4.17 -0.13 1.80 1.98 -1.26 -2.94 118.68 119.35 2g46 s LEU 29 Ca 0.38 1.55 -0.21 0.00 -2.89 0.00 0.00 54.13 52.96 2g46 s LEU 29 Cb -0.12 -3.54 -0.26 0.00 0.66 0.00 0.00 46.19 42.93 2g46 s LEU 29 CO 0.28 -0.65 0.58 0.58 -1.89 0.00 0.00 176.35 175.24 2g46 h VAL 30 N 5.35 1.25 -1.27 1.68 2.07 0.12 -3.48 116.25 121.96 2g46 h VAL 30 Ca -0.25 -2.36 0.16 0.00 0.82 0.00 0.00 66.70 65.07 2g46 h VAL 30 Cb 1.10 2.83 -0.28 0.00 -1.52 0.00 0.00 31.29 33.42 2g46 h VAL 30 CO 0.94 0.60 0.76 -0.70 0.02 0.00 0.00 177.57 179.19 2g46 s GLU 31 N -2.39 0.26 0.08 1.57 -6.30 -1.22 -4.92 118.70 105.77 2g46 s GLU 31 Ca -0.21 0.16 0.06 0.00 -2.50 0.00 0.00 54.97 52.48 2g46 s GLU 31 Cb 0.02 0.12 -0.03 0.00 0.00 0.00 0.00 34.13 34.25 2g46 s GLU 31 CO 0.72 -0.06 -0.16 -1.83 0.02 0.00 0.00 175.26 173.94 2g46 s GLU 32 N -0.52 0.94 0.00 4.30 -1.05 -1.26 -0.90 118.70 120.21 2g46 s GLU 32 Ca 0.05 -1.00 0.00 0.00 -0.15 0.00 0.00 54.97 53.88 2g46 s GLU 32 Cb -0.03 -1.03 0.00 0.00 -0.44 0.00 0.00 34.13 32.64 2g46 s GLU 32 CO -0.08 0.24 0.00 0.00 0.95 0.00 0.00 175.26 176.37 2g46 s LEU 34 N 0.00 2.85 0.15 0.00 2.96 -1.26 -1.68 118.68 121.71 2g46 s LEU 34 Ca 0.00 -1.16 -0.09 0.00 -0.22 0.00 0.00 54.13 52.66 2g46 s LEU 34 Cb 0.00 -1.34 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 2g46 s LEU 34 CO 0.00 -0.94 0.26 0.00 -1.32 0.00 0.00 176.35 174.35 2g46 s ILE 36 N -3.95 4.10 -0.19 0.00 1.01 -1.09 -4.70 121.20 116.38 2g46 s ILE 36 Ca 0.15 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.36 2g46 s ILE 36 Cb 0.04 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.76 2g46 s ILE 36 CO -0.02 0.52 -0.15 -0.69 0.00 0.00 0.00 174.94 174.60 2g46 s VAL 37 N -0.94 2.50 -0.08 2.92 1.01 -1.26 -0.17 120.40 124.37 2g46 s VAL 37 Ca 0.15 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 2g46 s VAL 37 Cb -0.11 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.22 2g46 s VAL 37 CO 0.05 0.51 0.31 -0.60 0.00 0.00 0.00 175.10 175.36 2g46 s ARG 38 N 1.26 0.46 0.00 2.72 6.06 0.52 -4.99 118.95 124.98 2g46 s ARG 38 Ca 0.03 0.23 0.00 0.00 -2.50 0.00 0.00 55.73 53.49 2g46 s ARG 38 Cb -0.14 0.21 0.00 0.00 0.06 0.00 0.00 34.95 35.09 2g46 s ARG 38 CO -0.08 -0.09 0.00 0.72 -2.50 0.00 0.00 175.30 173.35 2g46 n HIS 39 N 2.39 -1.70 -3.57 5.12 8.25 -1.26 -0.51 115.22 123.95 2g46 n HIS 39 Ca -0.16 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.89 2g46 n HIS 39 Cb 0.57 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.59 2g46 n HIS 39 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2g46 s ASN 40 N -1.88 5.70 0.00 0.41 -0.87 -1.26 -3.93 114.94 113.11 2g46 s ASN 40 Ca 0.00 -1.70 0.00 0.00 -1.57 0.00 0.00 52.86 49.59 2g46 s ASN 40 Cb 0.00 -2.01 0.00 0.00 -0.02 0.00 0.00 41.25 39.22 2g46 s ASN 40 CO 0.00 -0.62 0.00 -0.90 -2.57 0.00 0.00 177.10 173.01 2g46 n ASP 41 N 4.93 2.67 0.09 -1.22 5.75 -1.26 -4.92 116.55 122.58 2g46 n ASP 41 Ca -0.09 0.00 0.20 0.00 -0.01 0.00 0.00 54.79 54.89 2g46 n ASP 41 Cb 0.42 0.00 0.72 0.00 -1.03 0.00 0.00 41.12 41.23 2g46 n ASP 41 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2g46 h ASP 42 N 0.00 0.00 0.55 -1.12 3.32 -1.99 -0.10 116.42 117.07 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 -0.33 -0.25 -1.72 0.00 0.00 179.24 176.94 2g46 h TRP 43 N 0.00 -0.88 -0.61 4.55 2.91 -1.92 0.21 115.95 120.21 2g46 h TRP 43 Ca 0.20 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.30 2g46 h TRP 43 Cb 1.23 0.31 -0.04 0.00 -0.51 0.00 0.00 29.16 30.15 2g46 h TRP 43 CO 0.00 -0.51 0.41 0.78 -1.03 0.00 0.00 178.44 178.08 2g46 h GLY 44 N -0.84 0.66 0.11 2.65 0.00 -1.27 0.15 103.07 104.53 2g46 h GLY 44 Ca -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 2g46 h GLY 44 CO 0.07 0.13 -0.05 -0.84 0.00 0.00 0.00 176.54 175.85 2g46 h THR 45 N 0.49 0.00 -0.26 4.70 2.02 -1.11 -1.78 112.91 116.96 2g46 h THR 45 Ca 0.27 -0.12 0.06 0.00 0.77 0.00 0.00 66.41 67.39 2g46 h THR 45 Cb 0.44 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.79 2g46 h THR 45 CO -0.08 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 175.64 2g46 h ALA 46 N -1.81 0.02 -0.52 6.16 0.00 -0.54 -1.23 119.26 121.34 2g46 h ALA 46 Ca -0.01 0.10 -0.35 0.00 0.00 0.00 0.00 54.91 54.64 2g46 h ALA 46 Cb 0.11 0.38 -0.15 0.00 0.00 0.00 0.00 17.79 18.13 2g46 h ALA 46 CO 0.02 -0.58 0.45 1.28 0.00 0.00 0.00 179.25 180.43 2g46 n LEU 47 N -5.33 6.51 -3.21 0.00 7.99 0.50 -4.79 117.00 118.67 2g46 n LEU 47 Ca -0.00 -3.35 -0.22 0.00 -0.01 0.00 0.00 56.01 52.43 2g46 n LEU 47 Cb 0.25 -1.04 -0.02 0.00 -0.11 0.00 0.00 43.42 42.50 2g46 n LEU 47 CO 0.17 1.23 2.12 -1.84 -1.51 0.00 0.00 177.39 177.56 2g46 n GLU 48 N 0.22 1.69 -3.65 3.23 -0.00 -0.47 -4.63 120.64 117.03 2g46 n GLU 48 Ca 0.33 -1.36 -0.02 0.00 -0.00 0.00 0.00 57.16 56.11 2g46 n GLU 48 Cb 0.61 -2.44 -0.07 0.00 -0.00 0.00 0.00 31.44 29.54 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 3.88 -0.02 -1.59 -1.84 2.15 -1.26 -4.98 116.67 113.00 2g46 s ASP 49 Ca 0.36 0.04 -0.02 0.00 0.43 0.00 0.00 52.55 53.36 2g46 s ASP 49 Cb 0.09 0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.75 2g46 s ASP 49 CO -0.01 -0.01 0.21 -1.22 -0.17 0.00 0.00 175.17 173.98 2g46 n TYR 50 N 1.52 -1.27 -4.26 -5.34 4.01 -1.26 -4.95 117.16 105.61 2g46 n TYR 50 Ca -0.10 0.18 -0.35 0.00 -0.16 0.00 0.00 57.90 57.48 2g46 n TYR 50 Cb 0.57 -3.98 -0.10 0.00 -0.31 0.00 0.00 39.34 35.52 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 -5.87 3.59 -0.42 7.72 1.43 -1.26 -2.38 118.68 121.50 2g46 s LEU 51 Ca 0.11 0.07 -0.07 0.00 -1.03 0.00 0.00 54.13 53.20 2g46 s LEU 51 Cb -0.05 -1.86 0.09 0.00 0.03 0.00 0.00 46.19 44.40 2g46 s LEU 51 CO 0.13 0.27 0.24 -0.36 0.23 0.00 0.00 176.35 176.86 2g46 s PHE 52 N -0.22 3.41 -0.13 0.29 0.40 0.19 -4.90 117.98 117.02 2g46 s PHE 52 Ca 0.06 -1.82 -0.20 0.00 -0.60 0.00 0.00 56.93 54.36 2g46 s PHE 52 Cb -0.12 -3.04 -0.03 0.00 0.51 0.00 0.00 43.02 40.33 2g46 s PHE 52 CO 0.02 -0.90 0.59 0.45 0.70 0.00 0.00 175.22 176.08 2g46 s SER 53 N 2.08 6.76 0.27 1.36 0.15 -1.26 -2.14 113.70 120.91 2g46 s SER 53 Ca 0.04 0.92 0.04 0.00 0.70 0.00 0.00 55.95 57.65 2g46 s SER 53 Cb -0.23 -2.34 0.04 0.00 -1.71 0.00 0.00 66.02 61.78 2g46 s SER 53 CO -0.00 -0.13 0.34 -1.14 1.20 0.00 0.00 173.24 173.51 2g46 n ARG 54 N 4.19 0.87 -2.19 5.44 0.63 -0.65 -4.97 116.66 119.99 2g46 n ARG 54 Ca -0.04 -1.47 -0.43 0.00 -0.92 0.00 0.00 57.85 54.99 2g46 n ARG 54 Cb 0.51 -0.06 0.00 0.00 0.45 0.00 0.00 32.46 33.36 2g46 n ARG 54 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2g46 n LYS 55 N -1.49 3.12 0.00 -0.14 5.02 -1.26 -2.85 118.16 120.56 2g46 n LYS 55 Ca 0.06 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.29 2g46 n LYS 55 Cb 0.28 -3.27 0.00 0.00 -0.02 0.00 0.00 35.03 32.02 2g46 n LYS 55 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2g46 n ASN 56 N 6.38 0.00 -0.81 4.39 5.15 -1.26 -5.15 115.26 123.96 2g46 n ASN 56 Ca 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.46 2g46 n ASN 56 Cb 0.41 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.66 2g46 n ASN 56 CO 0.00 0.00 0.00 1.15 1.40 0.00 0.00 177.26 179.81 2g46 n MET 57 N 0.00 0.00 -5.05 1.20 0.00 -1.13 -4.88 117.12 107.26 2g46 n MET 57 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.38 2g46 n MET 57 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.08 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 -0.44 3.62 0.26 3.17 1.04 0.33 -1.64 113.70 120.05 2g46 s SER 58 Ca 0.00 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.13 2g46 s SER 58 Cb 0.00 -0.74 -0.05 0.00 0.10 0.00 0.00 66.02 65.32 2g46 s SER 58 CO 0.00 0.31 0.04 0.00 0.98 0.00 0.00 173.24 174.58 2g46 s ALA 59 N -0.56 1.90 0.46 5.32 0.00 -0.91 -0.35 121.76 127.63 2g46 s ALA 59 Ca 0.08 -1.87 0.08 0.00 0.00 0.00 0.00 51.96 50.25 2g46 s ALA 59 Cb -0.11 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.74 2g46 s ALA 59 CO 0.01 -0.34 0.46 1.41 0.00 0.00 0.00 175.76 177.30 2g46 s MET 60 N -3.93 2.47 -0.01 0.00 1.75 0.76 0.58 119.30 120.92 2g46 s MET 60 Ca 0.33 -1.62 -0.02 0.00 -1.25 0.00 0.00 55.69 53.13 2g46 s MET 60 Cb 0.07 -2.40 -0.27 0.00 2.84 0.00 0.00 34.83 35.08 2g46 s MET 60 CO 0.12 -0.38 0.80 0.00 -0.65 0.00 0.00 175.02 174.91 2g46 h ALA 61 N 0.82 0.33 0.00 4.11 0.00 -1.77 -2.89 119.26 119.85 2g46 h ALA 61 Ca -0.39 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.36 2g46 h ALA 61 Cb 1.28 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2g46 h ALA 61 CO 0.54 1.19 0.00 -0.11 0.00 0.00 0.00 179.25 180.87 2g46 n LEU 62 N -3.42 0.00 0.00 0.00 7.94 -1.24 -4.06 117.00 116.22 2g46 n LEU 62 Ca -0.18 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.72 2g46 n LEU 62 Cb 1.04 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.99 2g46 n LEU 62 CO 0.49 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.38 2g46 n GLY 63 N 0.00 -1.07 1.53 -3.96 0.00 -1.15 -4.65 105.19 95.88 2g46 n GLY 63 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 1.46 0.20 1.61 3.72 -1.26 -4.18 117.46 119.00 2g46 n PHE 64 Ca 0.00 -0.98 0.09 0.00 -0.05 0.00 0.00 57.45 56.51 2g46 n PHE 64 Cb 0.00 -0.53 0.22 0.00 -0.94 0.00 0.00 39.48 38.23 2g46 n PHE 64 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2g46 h GLY 65 N 2.99 0.00 0.15 1.37 0.00 -1.83 -3.31 103.07 102.44 2g46 h GLY 65 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.29 2g46 h GLY 65 CO 0.49 0.00 -1.57 0.00 0.00 0.00 0.00 176.54 175.46 2g46 n ALA 66 N -2.17 0.85 -0.07 3.60 0.00 -1.26 -4.09 120.51 117.38 2g46 n ALA 66 Ca 0.02 -0.57 0.25 0.00 0.00 0.00 0.00 53.44 53.14 2g46 n ALA 66 Cb 0.56 -0.53 0.64 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.72 0.23 -0.89 0.00 -0.00 -1.80 -3.41 117.51 110.91 2g46 h ILE 67 Ca -0.40 0.00 -0.73 0.00 -0.00 0.00 0.00 64.86 63.73 2g46 h ILE 67 Cb 1.52 0.38 -0.01 0.00 -0.00 0.00 0.00 36.82 38.71 2g46 h ILE 67 CO -0.15 0.00 1.21 0.49 -0.00 0.00 0.00 178.15 179.70 2g46 n PHE 68 N -3.57 1.61 -2.61 0.16 3.72 -1.25 -3.86 117.46 111.66 2g46 n PHE 68 Ca 0.15 0.54 -0.24 0.00 -0.05 0.00 0.00 57.45 57.85 2g46 n PHE 68 Cb 1.03 -2.43 0.12 0.00 -0.94 0.00 0.00 39.48 37.26 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 5.69 4.23 -0.31 4.37 0.01 -1.26 -4.71 114.94 122.97 2g46 s ASN 69 Ca 1.09 -0.47 -0.11 0.00 -0.71 0.00 0.00 52.86 52.67 2g46 s ASN 69 Cb -1.14 0.16 -0.02 0.00 0.41 0.00 0.00 41.25 40.66 2g46 s ASN 69 CO 0.60 -1.95 0.19 -2.28 -1.51 0.00 0.00 177.10 172.15 2g46 s HIS 70 N -3.17 3.20 -0.07 2.20 5.65 -1.26 -2.36 115.29 119.48 2g46 s HIS 70 Ca 0.68 -0.26 0.03 0.00 0.25 0.00 0.00 55.06 55.76 2g46 s HIS 70 Cb -0.04 -2.40 0.01 0.00 -1.18 0.00 0.00 32.58 28.96 2g46 s HIS 70 CO 0.45 -0.34 -0.16 0.45 -0.65 0.00 0.00 174.74 174.49 2g46 s SER 71 N 1.69 2.16 0.62 9.88 0.15 -1.26 -4.99 113.70 121.95 2g46 s SER 71 Ca 0.06 -0.37 0.29 0.00 0.70 0.00 0.00 55.95 56.62 2g46 s SER 71 Cb -0.17 -0.95 1.51 0.00 -1.71 0.00 0.00 66.02 64.71 2g46 s SER 71 CO 0.09 0.08 1.90 0.11 1.20 0.00 0.00 173.24 176.62 2g46 h LYS 72 N 6.80 0.00 -2.61 5.44 1.79 -2.00 -2.82 116.57 123.17 2g46 h LYS 72 Ca -0.28 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.50 2g46 h LYS 72 Cb 1.20 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 31.49 2g46 h LYS 72 CO 0.47 0.00 -0.03 -0.40 -1.08 0.00 0.00 179.45 178.42 2g46 n ASP 73 N -3.40 4.78 -4.61 0.86 5.75 -1.26 -5.03 116.55 113.64 2g46 n ASP 73 Ca 0.04 -3.39 -0.43 0.00 -0.01 0.00 0.00 54.79 51.00 2g46 n ASP 73 Cb 0.56 -0.94 -0.03 0.00 -1.03 0.00 0.00 41.12 39.68 2g46 n ASP 73 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2g46 s PRO 74 N -2.44 3.44 -0.15 0.11 0.04 -1.07 -4.83 135.00 130.10 2g46 s PRO 74 Ca 0.35 1.83 0.16 0.00 0.04 0.00 0.00 61.00 63.38 2g46 s PRO 74 Cb 0.08 -4.23 0.49 0.00 0.04 0.00 0.00 34.50 30.88 2g46 s PRO 74 CO 0.01 -1.73 1.39 0.09 0.04 0.00 0.00 177.00 176.80 2g46 n ASN 75 N 10.13 3.70 -3.80 6.66 3.02 -1.26 -4.90 115.26 128.80 2g46 n ASN 75 Ca 0.24 -2.87 -0.10 0.00 -0.03 0.00 0.00 54.58 51.83 2g46 n ASN 75 Cb 0.45 -0.49 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 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 -2.56 -0.49 0.07 5.41 0.00 -1.25 -3.52 121.76 119.42 2g46 s ALA 76 Ca 0.39 -0.47 -0.08 0.00 0.00 0.00 0.00 51.96 51.80 2g46 s ALA 76 Cb 0.31 0.73 -0.00 0.00 0.00 0.00 0.00 23.12 24.15 2g46 s ALA 76 CO 0.10 -0.65 0.16 0.50 0.00 0.00 0.00 175.76 175.87 2g46 s ARG 77 N -3.88 0.77 0.24 0.00 3.52 -0.96 -4.66 118.95 113.98 2g46 s ARG 77 Ca 0.09 -0.90 0.08 0.00 -0.13 0.00 0.00 55.73 54.87 2g46 s ARG 77 Cb 0.02 0.31 -0.04 0.00 -1.56 0.00 0.00 34.95 33.68 2g46 s ARG 77 CO -0.06 -0.23 0.06 -3.38 -0.81 0.00 0.00 175.30 170.88 2g46 s HIS 78 N -3.51 2.87 -0.01 5.12 -3.43 -1.26 -0.52 115.29 114.56 2g46 s HIS 78 Ca 0.02 -0.16 -0.02 0.00 -0.80 0.00 0.00 55.06 54.10 2g46 s HIS 78 Cb 0.04 -1.30 -0.00 0.00 -1.43 0.00 0.00 32.58 29.88 2g46 s HIS 78 CO -0.09 0.57 0.04 -2.00 -2.00 0.00 0.00 174.74 171.26 2g46 s GLU 79 N -3.57 0.14 0.21 -0.38 2.12 -0.69 -4.91 118.70 111.62 2g46 s GLU 79 Ca 0.31 -0.10 0.07 0.00 0.36 0.00 0.00 54.97 55.61 2g46 s GLU 79 Cb -0.08 0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.33 2g46 s GLU 79 CO 0.21 -0.02 0.14 -0.51 -0.54 0.00 0.00 175.26 174.54 2g46 s LEU 80 N -0.36 3.72 -1.28 2.70 1.43 -1.26 -0.79 118.68 122.84 2g46 s LEU 80 Ca -0.04 -0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 52.73 2g46 s LEU 80 Cb -0.03 -2.29 0.17 0.00 0.03 0.00 0.00 46.19 44.07 2g46 s LEU 80 CO -0.00 0.01 1.95 0.35 0.23 0.00 0.00 176.35 178.90 2g46 n THR 81 N -0.77 4.56 -3.14 5.49 -2.24 -1.20 -4.62 114.28 112.37 2g46 n THR 81 Ca -0.08 -4.46 -0.21 0.00 -2.27 0.00 0.00 64.05 57.03 2g46 n THR 81 Cb 0.57 -2.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.51 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 3.33 -1.00 0.00 6.98 0.00 -1.26 -4.84 120.51 123.73 2g46 n ALA 82 Ca 0.43 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2g46 n ALA 82 Cb 0.34 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.12 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 -1.14 0.49 1.88 0.00 0.00 -1.26 -4.99 105.19 100.16 2g46 n GLY 83 Ca -0.05 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 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 5.85 0.00 0.99 4.77 -1.26 -4.53 117.00 122.82 2g46 n LEU 84 Ca 0.00 -3.09 0.00 0.00 -0.03 0.00 0.00 56.01 52.89 2g46 n LEU 84 Cb 0.00 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 2g46 n LEU 84 CO 0.00 0.97 0.00 0.29 -1.33 0.00 0.00 177.39 177.32 2g46 n LYS 85 N -0.50 0.00 -3.73 3.23 5.02 -1.26 -4.10 118.16 116.82 2g46 n LYS 85 Ca 0.41 0.14 -0.23 0.00 -2.02 0.00 0.00 58.31 56.61 2g46 n LYS 85 Cb 1.13 -0.58 -0.02 0.00 -0.02 0.00 0.00 35.03 35.55 2g46 n LYS 85 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2g46 s ARG 86 N -0.82 3.46 -0.04 1.97 3.52 -1.26 -0.21 118.95 125.57 2g46 s ARG 86 Ca 0.00 -0.57 -0.03 0.00 -0.13 0.00 0.00 55.73 55.00 2g46 s ARG 86 Cb 0.00 -2.80 0.01 0.00 -1.56 0.00 0.00 34.95 30.60 2g46 s ARG 86 CO 0.00 0.32 0.09 1.41 -0.81 0.00 0.00 175.30 176.32 2g46 s MET 87 N -4.05 0.10 0.41 5.12 1.75 -0.67 -3.27 119.30 118.69 2g46 s MET 87 Ca 0.37 0.15 0.06 0.00 -1.25 0.00 0.00 55.69 55.01 2g46 s MET 87 Cb -0.09 0.02 -0.07 0.00 2.84 0.00 0.00 34.83 37.52 2g46 s MET 87 CO 0.32 -0.03 0.02 1.03 -0.65 0.00 0.00 175.02 175.70 2g46 s ARG 88 N 0.18 1.94 -0.07 4.11 0.52 0.03 -0.21 118.95 125.45 2g46 s ARG 88 Ca -0.01 -2.11 0.00 0.00 -0.52 0.00 0.00 55.73 53.09 2g46 s ARG 88 Cb -0.02 -1.53 0.02 0.00 0.52 0.00 0.00 34.95 33.95 2g46 s ARG 88 CO -0.01 -0.09 -0.05 0.42 0.02 0.00 0.00 175.30 175.60 2g46 s ILE 89 N -2.80 0.66 0.36 1.52 1.01 -0.08 -1.70 121.20 120.17 2g46 s ILE 89 Ca 0.33 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.88 2g46 s ILE 89 Cb 0.09 -0.71 0.02 0.00 0.01 0.00 0.00 42.46 41.87 2g46 s ILE 89 CO 0.17 0.28 0.18 0.49 0.00 0.00 0.00 174.94 176.06 2g46 n PHE 90 N 4.58 -0.31 -3.87 3.97 3.72 0.33 0.15 117.46 126.03 2g46 n PHE 90 Ca -0.16 -1.61 -0.30 0.00 -0.05 0.00 0.00 57.45 55.33 2g46 n PHE 90 Cb 0.50 -0.28 -0.14 0.00 -0.94 0.00 0.00 39.48 38.63 2g46 n PHE 90 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2g46 s THR 91 N -1.97 1.82 0.61 4.37 -4.23 -1.15 -2.26 115.64 112.84 2g46 s THR 91 Ca 0.14 -2.37 0.28 0.00 -1.18 0.00 0.00 61.69 58.56 2g46 s THR 91 Cb -0.01 -2.32 0.35 0.00 1.34 0.00 0.00 72.50 71.86 2g46 s THR 91 CO 0.09 -0.72 1.82 0.16 -0.54 0.00 0.00 174.62 175.42 2g46 h ILE 92 N 6.06 0.23 -3.75 2.99 3.07 -1.84 -2.00 117.51 122.27 2g46 h ILE 92 Ca -0.07 0.00 -0.11 0.00 1.55 0.00 0.00 64.86 66.24 2g46 h ILE 92 Cb 0.97 0.56 -0.16 0.00 -0.27 0.00 0.00 36.82 37.92 2g46 h ILE 92 CO 0.54 0.00 -0.43 -1.59 -1.05 0.00 0.00 178.15 175.61 2g46 s LYS 93 N -4.44 0.72 0.57 0.16 -2.85 -1.24 -4.76 119.74 107.89 2g46 s LYS 93 Ca -0.04 -0.82 -0.21 0.00 -1.00 0.00 0.00 55.97 53.91 2g46 s LYS 93 Cb 0.13 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 36.15 2g46 s LYS 93 CO 0.45 -0.21 1.30 -2.30 0.10 0.00 0.00 175.35 174.69 2g46 n PRO 94 N 0.39 1.50 -4.30 1.78 -0.02 -0.47 -4.74 135.00 129.14 2g46 n PRO 94 Ca -0.17 0.56 -0.19 0.00 -2.02 0.00 0.00 63.50 61.68 2g46 n PRO 94 Cb 0.60 -2.51 -0.13 0.00 -0.02 0.00 0.00 33.50 31.44 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 -1.33 0.93 0.29 4.25 1.01 -1.07 -4.97 121.20 120.31 2g46 s ILE 95 Ca 0.74 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 60.56 2g46 s ILE 95 Cb -0.41 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 2g46 s ILE 95 CO 0.47 -0.02 0.41 0.00 0.00 0.00 0.00 174.94 175.80 2g46 s ALA 96 N -0.80 4.07 -0.24 9.38 0.00 -1.23 0.16 121.76 133.10 2g46 s ALA 96 Ca 0.00 -1.35 -0.29 0.00 0.00 0.00 0.00 51.96 50.32 2g46 s ALA 96 Cb -0.07 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 2g46 s ALA 96 CO 0.01 0.10 1.80 0.42 0.00 0.00 0.00 175.76 178.09 2g46 s ILE 97 N -2.08 3.46 0.00 0.00 1.01 -1.14 -3.11 121.20 119.34 2g46 s ILE 97 Ca 0.39 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.54 2g46 s ILE 97 Cb -0.09 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.84 2g46 s ILE 97 CO 0.30 -0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.57 2g46 n GLY 98 N 5.12 1.99 3.86 6.18 0.00 -1.01 -4.97 105.19 116.35 2g46 n GLY 98 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.02 2.23 -0.07 1.61 0.41 -1.08 -4.97 118.70 116.81 2g46 s GLU 99 Ca 0.00 -2.21 0.04 0.00 -0.41 0.00 0.00 54.97 52.39 2g46 s GLU 99 Cb 0.00 -1.87 -0.02 0.00 -1.78 0.00 0.00 34.13 30.46 2g46 s GLU 99 CO 0.00 -0.57 -0.18 -2.00 -0.49 0.00 0.00 175.26 172.02 2g46 s GLU 100 N -4.15 2.72 -0.23 1.61 2.12 -1.26 -0.17 118.70 119.33 2g46 s GLU 100 Ca 0.21 -0.78 -0.11 0.00 0.36 0.00 0.00 54.97 54.65 2g46 s GLU 100 Cb -0.01 -2.35 -0.05 0.00 0.26 0.00 0.00 34.13 31.98 2g46 s GLU 100 CO 0.13 0.44 0.16 0.42 -0.54 0.00 0.00 175.26 175.87 2g46 s ILE 101 N -0.26 5.37 0.28 -3.70 1.01 0.33 -4.69 121.20 119.54 2g46 s ILE 101 Ca 0.01 0.19 -0.15 0.00 0.00 0.00 0.00 60.65 60.70 2g46 s ILE 101 Cb -0.13 -3.50 0.01 0.00 0.01 0.00 0.00 42.46 38.85 2g46 s ILE 101 CO 0.03 0.36 0.58 0.42 0.00 0.00 0.00 174.94 176.33 2g46 s THR 102 N 0.93 0.00 0.16 2.92 -4.23 -1.26 -3.03 115.64 111.14 2g46 s THR 102 Ca 0.08 -1.26 -0.08 0.00 -1.18 0.00 0.00 61.69 59.24 2g46 s THR 102 Cb -0.13 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.45 2g46 s THR 102 CO 0.03 0.00 0.27 0.27 -0.54 0.00 0.00 174.62 174.65 2g46 s ILE 103 N -3.74 0.07 0.00 2.99 -5.25 -0.99 -3.93 121.20 110.35 2g46 s ILE 103 Ca 0.19 -1.43 0.00 0.00 -0.99 0.00 0.00 60.65 58.42 2g46 s ILE 103 Cb -0.03 -1.86 0.00 0.00 2.95 0.00 0.00 42.46 43.52 2g46 s ILE 103 CO 0.10 -0.31 0.00 -0.24 -1.79 0.00 0.00 174.94 172.70 2g46 n SER 104 N -0.21 0.00 0.03 4.36 2.88 -1.26 -4.33 113.62 115.08 2g46 n SER 104 Ca -0.07 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.00 2g46 n SER 104 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 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 -0.74 -0.17 0.00 0.66 4.01 -1.26 -5.07 117.16 114.59 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 3.15 1.78 0.39 2.72 0.00 -1.26 -4.89 105.19 107.09 2g46 n GLY 106 Ca 0.00 -0.52 0.20 0.00 0.00 0.00 0.00 46.02 45.70 2g46 n GLY 106 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2g46 h ASP 107 N 0.00 0.00 0.00 1.61 2.03 -1.97 -1.96 116.42 116.14 2g46 h ASP 107 Ca 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 2g46 h ASP 107 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 2g46 h ASP 107 CO 0.00 0.00 -0.49 0.44 -1.03 0.00 0.00 179.24 178.16 2g46 h ASP 108 N 0.00 0.00 0.00 4.15 5.19 -1.93 -3.38 116.42 120.44 2g46 h ASP 108 Ca 0.18 -0.35 -0.40 0.00 -0.62 0.00 0.00 57.03 55.84 2g46 h ASP 108 Cb 1.22 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.75 2g46 h ASP 108 CO -0.00 0.95 2.65 0.00 -3.12 0.00 0.00 179.24 179.72 2g46 n TYR 109 N -4.60 1.43 -3.13 4.55 9.36 -0.74 -4.71 117.16 119.32 2g46 n TYR 109 Ca -0.13 -2.00 0.00 0.00 3.32 0.00 0.00 57.90 59.09 2g46 n TYR 109 Cb 0.36 -1.70 0.00 0.00 -0.63 0.00 0.00 39.34 37.37 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 4.32 0.00 0.00 2.98 5.03 -1.24 -4.24 117.44 124.29 2g46 n TRP 110 Ca 0.46 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.99 2g46 n TRP 110 Cb 0.15 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.43 2g46 n TRP 110 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 2g46 n LEU 111 N 0.00 0.00 -4.19 -0.99 0.00 -1.26 -5.02 117.00 105.54 2g46 n LEU 111 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 56.01 55.74 2g46 n LEU 111 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 43.42 43.26 2g46 n LEU 111 CO 0.00 -0.84 -0.52 -0.94 0.00 0.00 0.00 177.39 175.09 2g46 s SER 112 N -2.01 2.42 -1.23 1.96 1.04 -1.26 -4.78 113.70 109.85 2g46 s SER 112 Ca 0.00 -0.39 -0.09 0.00 0.48 0.00 0.00 55.95 55.95 2g46 s SER 112 Cb 0.00 -0.53 -0.01 0.00 0.10 0.00 0.00 66.02 65.57 2g46 s SER 112 CO 0.00 0.20 0.72 0.54 0.98 0.00 0.00 173.24 175.68 2g46 n ARG 113 N 2.91 -2.93 -2.19 4.02 1.74 -1.26 -4.88 116.66 114.07 2g46 n ARG 113 Ca -0.17 0.55 -0.41 0.00 -0.77 0.00 0.00 57.85 57.05 2g46 n ARG 113 Cb 0.53 -4.75 -0.03 0.00 -1.02 0.00 0.00 32.46 27.19 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 -5.87 4.36 -0.50 5.56 0.04 -1.26 -4.97 135.00 132.36 2g46 s PRO 114 Ca 0.24 2.09 0.08 0.00 0.04 0.00 0.00 61.00 63.44 2g46 s PRO 114 Cb -0.07 -3.19 0.31 0.00 0.04 0.00 0.00 34.50 31.58 2g46 s PRO 114 CO 0.83 -0.30 0.76 0.54 0.04 0.00 0.00 177.00 178.87 2g46 n ARG 115 N 2.83 1.96 -0.01 4.56 5.12 -1.26 -4.90 116.66 124.96 2g46 n ARG 115 Ca 0.07 -4.08 -0.18 0.00 -1.93 0.00 0.00 57.85 51.73 2g46 n ARG 115 Cb 0.42 -1.89 -0.08 0.00 -1.16 0.00 0.00 32.46 29.74 2g46 n ARG 115 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2g46 h LEU 116 N 3.42 0.82 -8.38 0.55 7.12 -2.01 -3.47 115.31 113.37 2g46 h LEU 116 Ca 0.12 -0.66 -0.17 0.00 0.13 0.00 0.00 57.88 57.30 2g46 h LEU 116 Cb 0.74 -0.25 -0.15 0.00 -0.53 0.00 0.00 40.66 40.48 2g46 h LEU 116 CO 0.66 1.36 -0.67 -0.89 -0.13 0.00 0.00 178.44 178.78 2g46 s THR 117 N -3.60 0.27 -1.13 1.05 2.01 -1.26 -5.03 115.64 107.94 2g46 s THR 117 Ca -0.11 -1.88 -0.10 0.00 0.31 0.00 0.00 61.69 59.91 2g46 s THR 117 Cb 0.07 -1.81 -0.07 0.00 0.01 0.00 0.00 72.50 70.70 2g46 s THR 117 CO 0.88 -0.72 2.31 0.00 -0.69 0.00 0.00 174.62 176.40 2g46 n GLN 118 N -0.02 2.48 0.00 4.92 1.13 -1.26 -5.19 117.38 119.44 2g46 n GLN 118 Ca -0.10 -1.82 0.12 0.00 -1.94 0.00 0.00 57.00 53.26 2g46 n GLN 118 Cb 0.62 -2.70 0.11 0.00 0.11 0.00 0.00 30.24 28.39 2g46 n GLN 118 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91