#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 -0.50 0.31 2.03 -0.71 -1.26 -2.97 117.98 114.88 2g46 s PHE 2 Ca 0.00 0.88 0.10 0.00 -1.04 0.00 0.00 56.93 56.87 2g46 s PHE 2 Cb 0.00 0.30 -0.06 0.00 -1.21 0.00 0.00 43.02 42.05 2g46 s PHE 2 CO 0.00 -0.25 -0.12 0.54 -1.34 0.00 0.00 175.22 174.05 2g46 s ASN 3 N 2.11 3.51 0.59 1.98 2.20 0.25 -4.97 114.94 120.61 2g46 s ASN 3 Ca -0.03 -1.15 0.29 0.00 -0.94 0.00 0.00 52.86 51.03 2g46 s ASN 3 Cb -0.04 -0.30 1.39 0.00 -2.00 0.00 0.00 41.25 40.29 2g46 s ASN 3 CO -0.16 -0.16 1.79 -2.24 -2.94 0.00 0.00 177.10 173.39 2g46 h ASP 4 N 2.14 0.00 -0.04 3.54 2.03 -2.02 -0.20 116.42 121.88 2g46 h ASP 4 Ca -0.41 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 55.78 2g46 h ASP 4 Cb 1.25 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.76 2g46 h ASP 4 CO 0.67 0.00 -0.42 -0.09 -1.03 0.00 0.00 179.24 178.37 2g46 h ARG 5 N 0.00 0.35 0.00 4.15 2.43 -1.96 -3.41 114.38 115.94 2g46 h ARG 5 Ca 0.26 -0.33 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 2g46 h ARG 5 Cb 1.50 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 31.10 2g46 h ARG 5 CO -0.00 0.99 0.05 1.33 -1.51 0.00 0.00 179.97 180.83 2g46 n VAL 6 N -4.35 0.00 -3.68 0.20 0.24 -0.09 -3.05 118.33 107.60 2g46 n VAL 6 Ca -0.09 -1.20 -0.15 0.00 -2.04 0.00 0.00 64.34 60.87 2g46 n VAL 6 Cb 0.57 0.90 -0.08 0.00 -1.47 0.00 0.00 33.84 33.76 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 -2.50 0.04 -0.26 1.34 2.07 -0.93 -0.59 121.20 120.37 2g46 s ILE 7 Ca 0.19 -0.34 -0.16 0.00 -1.41 0.00 0.00 60.65 58.94 2g46 s ILE 7 Cb -0.02 -0.76 -0.03 0.00 0.13 0.00 0.00 42.46 41.77 2g46 s ILE 7 CO 0.14 -0.19 0.42 -0.69 -1.91 0.00 0.00 174.94 172.72 2g46 s VAL 8 N -1.41 5.14 0.06 4.00 1.01 -1.16 -1.39 120.40 126.66 2g46 s VAL 8 Ca -0.12 0.68 0.07 0.00 0.00 0.00 0.00 61.98 62.62 2g46 s VAL 8 Cb -0.03 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2g46 s VAL 8 CO 0.05 0.13 -0.20 -0.54 0.00 0.00 0.00 175.10 174.55 2g46 s LYS 9 N 2.13 1.23 -1.13 2.72 1.02 -1.01 -4.85 119.74 119.85 2g46 s LYS 9 Ca 0.17 -0.99 -0.16 0.00 0.02 0.00 0.00 55.97 55.01 2g46 s LYS 9 Cb -0.16 -1.38 -0.02 0.00 -0.52 0.00 0.00 37.83 35.75 2g46 s LYS 9 CO 0.10 0.34 0.81 1.63 -0.92 0.00 0.00 175.35 177.31 2g46 n LYS 10 N 1.58 -1.72 -2.23 1.68 4.76 0.70 -0.06 118.16 122.88 2g46 n LYS 10 Ca -0.18 0.56 -0.09 0.00 -2.87 0.00 0.00 58.31 55.73 2g46 n LYS 10 Cb 0.54 -4.59 0.01 0.00 -1.84 0.00 0.00 35.03 29.14 2g46 n LYS 10 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2g46 n SER 11 N -2.83 1.46 -0.35 4.39 3.41 -1.24 -4.93 113.62 113.53 2g46 n SER 11 Ca -0.10 -1.67 -0.02 0.00 -0.26 0.00 0.00 58.87 56.81 2g46 n SER 11 Cb 0.60 -0.05 0.13 0.00 -0.26 0.00 0.00 64.21 64.64 2g46 n SER 11 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2g46 h PRO 12 N 0.00 1.27 0.00 4.33 0.11 -1.99 -2.41 132.00 133.31 2g46 h PRO 12 Ca -0.12 -0.09 -0.09 0.00 0.11 0.00 0.00 66.00 65.81 2g46 h PRO 12 Cb 0.47 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 2g46 h PRO 12 CO 0.19 0.85 -0.87 -0.07 -0.21 0.00 0.00 178.00 177.89 2g46 h LEU 13 N 1.30 0.00 0.00 2.35 3.38 -2.03 -3.50 115.31 116.80 2g46 h LEU 13 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2g46 h LEU 13 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2g46 h LEU 13 CO -0.07 0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.40 2g46 n GLY 14 N 1.26 -0.00 0.68 0.83 0.00 -0.91 -5.13 105.19 101.91 2g46 n GLY 14 Ca -0.02 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.89 2g46 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g46 n GLY 15 N 0.00 -3.71 3.07 -0.02 0.00 -1.26 -3.73 105.19 99.54 2g46 n GLY 15 Ca 0.00 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.89 2.83 -3.82 1.61 4.01 -1.25 -0.21 117.16 119.44 2g46 n TYR 16 Ca 0.00 -2.83 -0.17 0.00 -0.16 0.00 0.00 57.90 54.74 2g46 n TYR 16 Cb 0.00 -1.34 -0.00 0.00 -0.31 0.00 0.00 39.34 37.68 2g46 n TYR 16 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2g46 n GLY 17 N 1.58 2.97 3.86 2.72 0.00 0.91 -4.39 105.19 112.84 2g46 n GLY 17 Ca 0.26 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 2g46 n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g46 s VAL 18 N -1.73 5.17 -0.18 1.61 1.01 -1.10 -2.40 120.40 122.78 2g46 s VAL 18 Ca 0.17 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 2g46 s VAL 18 Cb -0.01 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2g46 s VAL 18 CO 0.11 0.33 -0.04 -0.36 0.00 0.00 0.00 175.10 175.13 2g46 s PHE 19 N -1.28 2.98 -0.95 5.22 0.40 -0.48 0.19 117.98 124.06 2g46 s PHE 19 Ca 0.26 -0.54 -0.18 0.00 -0.60 0.00 0.00 56.93 55.87 2g46 s PHE 19 Cb -0.12 -2.00 0.13 0.00 0.51 0.00 0.00 43.02 41.54 2g46 s PHE 19 CO 0.17 -0.23 1.14 0.00 0.70 0.00 0.00 175.22 177.00 2g46 s ALA 20 N 0.77 3.41 0.63 5.36 0.00 0.76 -2.18 121.76 130.51 2g46 s ALA 20 Ca -0.02 -2.81 0.36 0.00 0.00 0.00 0.00 51.96 49.50 2g46 s ALA 20 Cb -0.15 -4.05 2.03 0.00 0.00 0.00 0.00 23.12 20.95 2g46 s ALA 20 CO 0.02 -2.97 2.23 -0.09 0.00 0.00 0.00 175.76 174.95 2g46 h ARG 21 N 8.73 0.00 0.00 0.00 9.65 -1.80 -1.51 114.38 129.44 2g46 h ARG 21 Ca 0.17 0.00 -0.42 0.00 -1.10 0.00 0.00 59.98 58.63 2g46 h ARG 21 Cb 1.02 0.00 0.09 0.00 -1.39 0.00 0.00 29.97 29.68 2g46 h ARG 21 CO 1.11 0.00 0.14 1.63 2.80 0.00 0.00 179.97 185.66 2g46 n LYS 22 N -3.40 -0.20 0.00 0.20 5.02 -1.19 -3.80 118.16 114.79 2g46 n LYS 22 Ca -0.02 -2.41 0.00 0.00 -2.02 0.00 0.00 58.31 53.86 2g46 n LYS 22 Cb 0.16 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 2g46 n LYS 22 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2g46 n SER 23 N -3.03 0.00 -4.85 4.39 7.64 0.13 -1.49 113.62 116.41 2g46 n SER 23 Ca 0.15 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.82 2g46 n SER 23 Cb 0.54 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.70 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 3.09 0.00 1.43 0.08 -0.94 -4.95 117.98 114.69 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 -1.53 0.00 0.00 -0.57 0.00 0.00 43.02 40.92 2g46 s PHE 24 CO 0.00 0.41 0.00 -1.91 -0.10 0.00 0.00 175.22 173.62 2g46 n GLU 25 N -1.26 2.65 -3.14 0.44 4.07 -1.26 -2.33 120.64 119.80 2g46 n GLU 25 Ca -0.06 0.00 -0.45 0.00 -0.06 0.00 0.00 57.16 56.59 2g46 n GLU 25 Cb 0.58 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.92 2g46 n GLU 25 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2g46 s LYS 26 N 1.89 3.18 0.00 5.31 2.20 -1.26 -2.86 119.74 128.20 2g46 s LYS 26 Ca 0.00 -1.58 0.00 0.00 -0.36 0.00 0.00 55.97 54.03 2g46 s LYS 26 Cb 0.00 -4.37 0.00 0.00 -1.51 0.00 0.00 37.83 31.95 2g46 s LYS 26 CO 0.00 -1.51 0.00 0.41 -0.36 0.00 0.00 175.35 173.89 2g46 n GLY 27 N 5.11 0.81 2.92 5.54 0.00 0.33 -4.93 105.19 114.97 2g46 n GLY 27 Ca -0.03 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 2g46 n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2g46 s GLU 28 N -1.33 1.54 0.22 1.61 2.12 -1.26 -4.80 118.70 116.81 2g46 s GLU 28 Ca 0.00 -0.27 -0.32 0.00 0.36 0.00 0.00 54.97 54.74 2g46 s GLU 28 Cb 0.00 -1.56 -0.13 0.00 0.26 0.00 0.00 34.13 32.69 2g46 s GLU 28 CO 0.00 -0.24 1.52 -0.11 -0.54 0.00 0.00 175.26 175.89 2g46 n LEU 29 N 4.83 3.38 -0.11 2.70 -0.00 -1.26 -2.88 117.00 123.65 2g46 n LEU 29 Ca -0.14 1.12 -0.15 0.00 -0.00 0.00 0.00 56.01 56.84 2g46 n LEU 29 Cb 0.50 -1.47 -0.10 0.00 -0.00 0.00 0.00 43.42 42.35 2g46 n LEU 29 CO 0.17 -0.27 -1.21 0.52 -0.00 0.00 0.00 177.39 176.61 2g46 n VAL 30 N 2.57 1.24 -3.53 1.96 0.31 0.42 -4.95 118.33 116.34 2g46 n VAL 30 Ca 0.13 -0.48 -0.09 0.00 -0.01 0.00 0.00 64.34 63.89 2g46 n VAL 30 Cb 0.32 -1.26 -0.03 0.00 -0.91 0.00 0.00 33.84 31.96 2g46 n VAL 30 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2g46 s GLU 31 N -2.43 0.71 -0.01 5.55 2.12 -1.24 -5.00 118.70 118.40 2g46 s GLU 31 Ca -0.29 -0.14 -0.17 0.00 0.36 0.00 0.00 54.97 54.73 2g46 s GLU 31 Cb 0.07 0.33 0.03 0.00 0.26 0.00 0.00 34.13 34.83 2g46 s GLU 31 CO 0.50 -0.29 0.37 -1.83 -0.54 0.00 0.00 175.26 173.48 2g46 s GLU 32 N -2.41 0.76 0.00 4.30 -1.05 -1.26 -0.47 118.70 118.57 2g46 s GLU 32 Ca 0.03 -0.16 0.00 0.00 -0.15 0.00 0.00 54.97 54.69 2g46 s GLU 32 Cb -0.01 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.02 2g46 s GLU 32 CO -0.05 -0.22 0.00 0.00 0.95 0.00 0.00 175.26 175.94 2g46 s LEU 34 N 0.00 3.23 -0.01 0.00 2.01 -1.26 -2.59 118.68 120.06 2g46 s LEU 34 Ca 0.00 -0.66 -0.16 0.00 0.01 0.00 0.00 54.13 53.32 2g46 s LEU 34 Cb 0.00 -1.97 0.03 0.00 0.01 0.00 0.00 46.19 44.26 2g46 s LEU 34 CO 0.00 -1.25 0.34 0.00 1.01 0.00 0.00 176.35 176.45 2g46 s ILE 36 N -1.51 4.86 -0.26 0.00 1.01 -1.08 -4.80 121.20 119.42 2g46 s ILE 36 Ca -0.12 0.71 0.01 0.00 0.00 0.00 0.00 60.65 61.25 2g46 s ILE 36 Cb -0.04 -3.68 0.07 0.00 0.01 0.00 0.00 42.46 38.82 2g46 s ILE 36 CO 0.04 0.07 -0.00 -0.69 0.00 0.00 0.00 174.94 174.35 2g46 s VAL 37 N -1.66 1.41 0.08 2.92 1.01 -1.26 -1.75 120.40 121.15 2g46 s VAL 37 Ca 0.43 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 61.09 2g46 s VAL 37 Cb -0.13 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2g46 s VAL 37 CO 0.20 -0.28 -0.06 -0.13 0.00 0.00 0.00 175.10 174.82 2g46 s ARG 38 N 1.41 0.74 1.13 2.72 1.81 -0.23 -5.00 118.95 121.53 2g46 s ARG 38 Ca -0.00 -1.20 -0.18 0.00 -1.72 0.00 0.00 55.73 52.63 2g46 s ARG 38 Cb -0.18 -0.15 0.26 0.00 -0.45 0.00 0.00 34.95 34.42 2g46 s ARG 38 CO -0.10 -0.02 1.14 -1.01 -0.68 0.00 0.00 175.30 174.63 2g46 s HIS 39 N -3.21 0.92 0.00 -0.53 3.76 -1.26 -2.04 115.29 112.93 2g46 s HIS 39 Ca 0.07 0.54 0.00 0.00 -0.15 0.00 0.00 55.06 55.52 2g46 s HIS 39 Cb 0.03 -3.52 0.00 0.00 1.11 0.00 0.00 32.58 30.20 2g46 s HIS 39 CO -0.04 -3.53 0.00 0.27 -0.85 0.00 0.00 174.74 170.59 2g46 n ASN 40 N -4.51 0.00 0.00 1.40 6.94 -1.26 -4.26 115.26 113.56 2g46 n ASN 40 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.68 2g46 n ASN 40 Cb 0.59 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 2g46 n ASN 40 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2g46 n ASP 41 N 0.00 0.00 -0.39 0.53 -0.08 -1.26 -3.15 116.55 112.20 2g46 n ASP 41 Ca 0.00 0.00 0.32 0.00 -1.51 0.00 0.00 54.79 53.60 2g46 n ASP 41 Cb 0.00 0.00 0.63 0.00 2.34 0.00 0.00 41.12 44.09 2g46 n ASP 41 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2g46 h ASP 42 N 8.65 0.26 0.37 1.67 3.32 -1.99 -0.40 116.42 128.30 2g46 h ASP 42 Ca 0.00 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2g46 h ASP 42 Cb 0.00 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2g46 h ASP 42 CO 0.00 -0.03 -0.29 -0.25 -1.72 0.00 0.00 179.24 176.95 2g46 h TRP 43 N 0.18 -0.76 0.00 4.55 -0.00 -1.76 0.36 115.95 118.52 2g46 h TRP 43 Ca 0.69 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.57 2g46 h TRP 43 Cb 2.17 0.29 -0.00 0.00 -0.00 0.00 0.00 29.16 31.62 2g46 h TRP 43 CO -0.00 -0.43 -0.03 0.78 -0.00 0.00 0.00 178.44 178.76 2g46 h GLY 44 N -0.66 0.00 0.00 2.65 0.00 -1.19 -2.32 103.07 101.55 2g46 h GLY 44 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2g46 h GLY 44 CO -0.01 0.00 -0.02 -0.84 0.00 0.00 0.00 176.54 175.67 2g46 h THR 45 N 0.00 0.00 -0.76 4.70 2.02 -0.96 -2.87 112.91 115.05 2g46 h THR 45 Ca -0.00 -0.55 0.17 0.00 0.77 0.00 0.00 66.41 66.80 2g46 h THR 45 Cb 0.05 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.33 2g46 h THR 45 CO 0.00 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.83 2g46 h ALA 46 N -1.45 0.69 -0.52 6.16 0.00 -0.33 0.56 119.26 124.37 2g46 h ALA 46 Ca 0.00 0.26 -0.21 0.00 0.00 0.00 0.00 54.91 54.96 2g46 h ALA 46 Cb 0.02 0.47 -0.13 0.00 0.00 0.00 0.00 17.79 18.16 2g46 h ALA 46 CO 0.00 -0.43 0.27 1.28 0.00 0.00 0.00 179.25 180.37 2g46 n LEU 47 N -5.40 4.80 -4.58 0.00 7.99 -0.87 -4.84 117.00 114.09 2g46 n LEU 47 Ca 0.13 -2.50 -0.20 0.00 -0.01 0.00 0.00 56.01 53.42 2g46 n LEU 47 Cb 0.45 -0.67 -0.09 0.00 -0.11 0.00 0.00 43.42 42.99 2g46 n LEU 47 CO 0.03 0.72 1.26 -1.83 -1.51 0.00 0.00 177.39 176.05 2g46 s GLU 48 N -2.00 1.72 0.03 3.23 4.04 0.19 -3.27 118.70 122.64 2g46 s GLU 48 Ca 0.34 -0.71 0.00 0.00 0.04 0.00 0.00 54.97 54.64 2g46 s GLU 48 Cb 0.28 -5.08 0.00 0.00 0.02 0.00 0.00 34.13 29.34 2g46 s GLU 48 CO 0.08 -4.87 0.00 -3.47 -1.84 0.00 0.00 175.26 165.15 2g46 n ASP 49 N 17.53 -0.31 -2.75 0.83 -0.08 -1.26 -5.00 116.55 125.51 2g46 n ASP 49 Ca 0.43 0.19 -0.21 0.00 -1.51 0.00 0.00 54.79 53.68 2g46 n ASP 49 Cb 0.47 0.48 -0.01 0.00 2.34 0.00 0.00 41.12 44.40 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 -2.43 2.55 -3.81 -0.67 4.01 -1.20 -5.04 117.16 110.58 2g46 n TYR 50 Ca 0.00 -3.38 -0.37 0.00 -0.16 0.00 0.00 57.90 54.00 2g46 n TYR 50 Cb 0.00 -0.31 -0.13 0.00 -0.31 0.00 0.00 39.34 38.60 2g46 n TYR 50 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2g46 s LEU 51 N -3.25 3.78 -0.36 7.72 1.43 -1.26 -2.65 118.68 124.08 2g46 s LEU 51 Ca 0.42 -0.82 -0.21 0.00 -1.03 0.00 0.00 54.13 52.49 2g46 s LEU 51 Cb 0.38 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.77 2g46 s LEU 51 CO -0.11 -0.20 0.68 -0.36 0.23 0.00 0.00 176.35 176.59 2g46 s PHE 52 N 1.44 3.14 -0.12 0.29 0.40 0.11 -4.83 117.98 118.40 2g46 s PHE 52 Ca 0.01 0.39 -0.03 0.00 -0.60 0.00 0.00 56.93 56.70 2g46 s PHE 52 Cb -0.17 -3.22 -0.03 0.00 0.51 0.00 0.00 43.02 40.11 2g46 s PHE 52 CO 0.01 -0.67 -0.02 0.45 0.70 0.00 0.00 175.22 175.69 2g46 s SER 53 N 1.81 5.01 0.09 1.36 0.15 -1.26 -1.61 113.70 119.25 2g46 s SER 53 Ca 0.26 0.00 0.01 0.00 0.70 0.00 0.00 55.95 56.92 2g46 s SER 53 Cb -0.14 -1.61 0.01 0.00 -1.71 0.00 0.00 66.02 62.57 2g46 s SER 53 CO 0.16 0.27 0.06 -1.14 1.20 0.00 0.00 173.24 173.78 2g46 n ARG 54 N 2.87 1.44 -2.28 5.44 0.63 -0.68 -4.99 116.66 119.09 2g46 n ARG 54 Ca -0.18 -0.60 -0.43 0.00 -0.92 0.00 0.00 57.85 55.72 2g46 n ARG 54 Cb 0.53 0.09 0.00 0.00 0.45 0.00 0.00 32.46 33.52 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 -0.63 3.14 0.00 -0.14 5.02 -1.26 -2.84 118.16 121.46 2g46 n LYS 55 Ca -0.01 -3.13 0.00 0.00 -2.02 0.00 0.00 58.31 53.15 2g46 n LYS 55 Cb 0.11 -3.30 0.00 0.00 -0.02 0.00 0.00 35.03 31.82 2g46 n LYS 55 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2g46 n ASN 56 N 6.66 0.00 0.00 4.39 3.02 -1.26 -5.13 115.26 122.94 2g46 n ASN 56 Ca 0.47 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.02 2g46 n ASN 56 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 2g46 n ASN 56 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 2g46 n MET 57 N 0.00 -0.82 -4.38 3.52 0.00 -1.13 -5.02 117.12 109.29 2g46 n MET 57 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.45 2g46 n MET 57 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.12 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 -4.00 3.88 -0.03 3.17 0.01 -0.86 -1.69 113.70 114.18 2g46 s SER 58 Ca 0.00 -0.79 -0.16 0.00 1.31 0.00 0.00 55.95 56.31 2g46 s SER 58 Cb 0.00 -0.49 0.03 0.00 0.21 0.00 0.00 66.02 65.77 2g46 s SER 58 CO 0.00 0.08 0.34 0.00 0.41 0.00 0.00 173.24 174.07 2g46 s ALA 59 N -2.01 -0.86 0.36 1.44 0.00 -0.64 -1.07 121.76 118.98 2g46 s ALA 59 Ca 0.26 0.49 -0.04 0.00 0.00 0.00 0.00 51.96 52.67 2g46 s ALA 59 Cb -0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2g46 s ALA 59 CO 0.14 -0.26 0.62 -1.64 0.00 0.00 0.00 175.76 174.63 2g46 s MET 60 N -1.11 3.57 -0.63 0.00 -1.94 -0.72 0.03 119.30 118.50 2g46 s MET 60 Ca -0.12 -0.03 -0.24 0.00 -1.71 0.00 0.00 55.69 53.60 2g46 s MET 60 Cb -0.05 -2.57 0.06 0.00 2.01 0.00 0.00 34.83 34.28 2g46 s MET 60 CO 0.04 0.07 0.99 0.00 -0.01 0.00 0.00 175.02 176.11 2g46 s ALA 61 N -2.34 3.09 0.00 3.03 0.00 -1.08 -2.63 121.76 121.82 2g46 s ALA 61 Ca 0.44 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2g46 s ALA 61 Cb -0.10 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.16 2g46 s ALA 61 CO 0.36 -2.70 0.69 -0.11 0.00 0.00 0.00 175.76 174.00 2g46 n LEU 62 N 7.81 0.00 0.00 0.00 0.00 -0.79 -4.26 117.00 119.75 2g46 n LEU 62 Ca -0.01 0.69 0.00 0.00 0.00 0.00 0.00 56.01 56.69 2g46 n LEU 62 Cb 0.46 -0.19 0.00 0.00 0.00 0.00 0.00 43.42 43.69 2g46 n LEU 62 CO 0.65 -0.19 0.00 0.61 0.00 0.00 0.00 177.39 178.45 2g46 n GLY 63 N -0.70 -2.40 2.00 -3.96 0.00 -1.20 -4.61 105.19 94.32 2g46 n GLY 63 Ca 0.00 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 2g46 n GLY 63 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2g46 n PHE 64 N 0.00 1.54 0.17 1.61 3.72 -1.26 -4.31 117.46 118.92 2g46 n PHE 64 Ca 0.00 -1.97 0.07 0.00 -0.05 0.00 0.00 57.45 55.50 2g46 n PHE 64 Cb 0.00 -1.04 0.08 0.00 -0.94 0.00 0.00 39.48 37.58 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 2.79 0.00 0.00 1.37 0.00 -1.82 -3.30 103.07 102.11 2g46 h GLY 65 Ca 0.31 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.52 2g46 h GLY 65 CO 0.78 0.00 -0.94 0.00 0.00 0.00 0.00 176.54 176.39 2g46 n ALA 66 N -2.18 0.64 0.22 3.60 0.00 -1.26 -4.18 120.51 117.35 2g46 n ALA 66 Ca 0.02 -0.49 0.16 0.00 0.00 0.00 0.00 53.44 53.13 2g46 n ALA 66 Cb 0.64 -0.22 0.66 0.00 0.00 0.00 0.00 19.45 20.54 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 -1.00 0.12 -1.63 0.00 -0.00 -1.83 -3.42 117.51 109.74 2g46 h ILE 67 Ca -0.18 0.00 -0.71 0.00 -0.00 0.00 0.00 64.86 63.97 2g46 h ILE 67 Cb 0.91 0.52 0.02 0.00 -0.00 0.00 0.00 36.82 38.28 2g46 h ILE 67 CO -0.11 0.00 0.84 0.49 -0.00 0.00 0.00 178.15 179.37 2g46 n PHE 68 N -3.12 1.99 -2.72 0.16 3.72 -1.24 -4.05 117.46 112.19 2g46 n PHE 68 Ca 0.03 0.49 -0.21 0.00 -0.05 0.00 0.00 57.45 57.71 2g46 n PHE 68 Cb 0.62 -2.46 0.06 0.00 -0.94 0.00 0.00 39.48 36.76 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 2.98 5.00 0.08 4.37 0.01 -1.26 -4.79 114.94 121.33 2g46 s ASN 69 Ca 0.95 -0.29 0.01 0.00 -0.71 0.00 0.00 52.86 52.83 2g46 s ASN 69 Cb -1.00 -0.41 -0.04 0.00 0.41 0.00 0.00 41.25 40.20 2g46 s ASN 69 CO 0.60 -1.36 0.17 -2.28 -1.51 0.00 0.00 177.10 172.72 2g46 s HIS 70 N -2.82 3.39 -0.13 2.20 5.65 -1.26 -2.40 115.29 119.92 2g46 s HIS 70 Ca 0.61 0.17 -0.12 0.00 0.25 0.00 0.00 55.06 55.97 2g46 s HIS 70 Cb -0.08 -1.70 0.03 0.00 -1.18 0.00 0.00 32.58 29.66 2g46 s HIS 70 CO 0.40 0.56 0.35 -1.54 -0.65 0.00 0.00 174.74 173.85 2g46 s SER 71 N -2.55 -0.36 0.60 9.88 1.04 -1.26 -5.00 113.70 116.05 2g46 s SER 71 Ca 0.33 0.70 0.29 0.00 0.48 0.00 0.00 55.95 57.75 2g46 s SER 71 Cb -0.12 0.71 1.59 0.00 0.10 0.00 0.00 66.02 68.29 2g46 s SER 71 CO 0.26 -0.12 2.00 0.11 0.98 0.00 0.00 173.24 176.46 2g46 h LYS 72 N 5.66 0.00 -2.94 4.02 1.57 -1.96 -3.12 116.57 119.80 2g46 h LYS 72 Ca -0.27 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.90 2g46 h LYS 72 Cb 1.19 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.08 2g46 h LYS 72 CO 0.29 0.00 -0.63 -0.40 -0.57 0.00 0.00 179.45 178.14 2g46 n ASP 73 N -3.65 2.53 -4.55 0.86 5.75 -1.26 -4.54 116.55 111.68 2g46 n ASP 73 Ca 0.04 -3.10 -0.34 0.00 -0.01 0.00 0.00 54.79 51.38 2g46 n ASP 73 Cb 0.47 -0.73 -0.03 0.00 -1.03 0.00 0.00 41.12 39.81 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 -1.28 2.19 0.36 0.11 0.04 -1.18 -4.78 135.00 130.45 2g46 s PRO 74 Ca 0.27 1.08 0.25 0.00 0.04 0.00 0.00 61.00 62.64 2g46 s PRO 74 Cb -0.02 -4.57 0.61 0.00 0.04 0.00 0.00 34.50 30.56 2g46 s PRO 74 CO -0.17 -3.26 1.70 -0.91 0.04 0.00 0.00 177.00 174.40 2g46 h ASN 75 N 17.66 0.00 -4.83 6.66 4.21 -1.90 -3.45 115.58 133.93 2g46 h ASN 75 Ca -0.21 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 56.96 2g46 h ASN 75 Cb 1.21 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 38.27 2g46 h ASN 75 CO 1.16 0.00 -0.60 0.00 -1.29 0.00 0.00 177.43 176.70 2g46 s ALA 76 N -3.21 1.63 0.00 -0.83 0.00 -1.26 -1.02 121.76 117.08 2g46 s ALA 76 Ca 0.08 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.23 2g46 s ALA 76 Cb 0.08 1.16 0.00 0.00 0.00 0.00 0.00 23.12 24.36 2g46 s ALA 76 CO 0.62 -0.50 0.00 -2.13 0.00 0.00 0.00 175.76 173.75 2g46 n ARG 77 N -0.44 0.00 -2.72 0.00 0.63 -0.33 -4.31 116.66 109.49 2g46 n ARG 77 Ca 0.01 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.86 2g46 n ARG 77 Cb 0.66 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.55 2g46 n ARG 77 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 2g46 n HIS 78 N 0.00 0.03 -4.00 -0.14 1.44 -1.26 -1.38 115.22 109.91 2g46 n HIS 78 Ca 0.00 -0.79 -0.10 0.00 -2.01 0.00 0.00 57.72 54.83 2g46 n HIS 78 Cb 0.00 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.06 2g46 n HIS 78 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 2g46 s GLU 79 N -2.46 1.60 -0.04 -1.40 2.12 -0.58 -4.72 118.70 113.21 2g46 s GLU 79 Ca 0.06 -1.30 -0.02 0.00 0.36 0.00 0.00 54.97 54.08 2g46 s GLU 79 Cb 0.00 0.47 0.03 0.00 0.26 0.00 0.00 34.13 34.90 2g46 s GLU 79 CO 0.05 -0.67 0.07 -0.51 -0.54 0.00 0.00 175.26 173.66 2g46 s LEU 80 N -3.04 0.52 0.00 2.70 1.43 -1.26 -2.19 118.68 116.84 2g46 s LEU 80 Ca 0.23 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 2g46 s LEU 80 Cb -0.01 -0.00 0.00 0.00 0.03 0.00 0.00 46.19 46.21 2g46 s LEU 80 CO 0.10 -0.19 0.00 1.07 0.23 0.00 0.00 176.35 177.56 2g46 n THR 81 N 4.76 0.00 -1.76 5.49 5.66 -1.23 -4.62 114.28 122.59 2g46 n THR 81 Ca -0.15 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.66 2g46 n THR 81 Cb 0.50 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.22 2g46 n THR 81 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2g46 s ALA 82 N -2.02 1.05 0.00 1.79 0.00 -1.26 -4.62 121.76 116.70 2g46 s ALA 82 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.83 2g46 s ALA 82 Cb 0.00 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.54 2g46 s ALA 82 CO 0.00 -5.56 0.00 0.41 0.00 0.00 0.00 175.76 170.61 2g46 n GLY 83 N 6.77 0.94 3.53 0.00 0.00 -1.26 -4.83 105.19 110.34 2g46 n GLY 83 Ca 0.44 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.50 2.38 0.08 0.99 4.32 -1.26 -4.43 117.00 118.57 2g46 n LEU 84 Ca 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 2g46 n LEU 84 Cb 0.00 -1.42 0.00 0.00 -1.62 0.00 0.00 43.42 40.38 2g46 n LEU 84 CO 0.00 -0.96 0.00 0.29 -1.22 0.00 0.00 177.39 175.50 2g46 n LYS 85 N 8.63 0.00 -4.35 3.23 4.76 -1.26 -4.84 118.16 124.32 2g46 n LYS 85 Ca 0.39 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.65 2g46 n LYS 85 Cb 0.37 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.46 2g46 n LYS 85 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2g46 s ARG 86 N -2.00 1.46 -0.02 1.97 0.52 -1.26 -2.73 118.95 116.90 2g46 s ARG 86 Ca 0.00 -1.79 -0.00 0.00 -0.52 0.00 0.00 55.73 53.41 2g46 s ARG 86 Cb 0.00 -0.47 0.02 0.00 0.52 0.00 0.00 34.95 35.02 2g46 s ARG 86 CO 0.00 -0.24 0.03 -1.64 0.02 0.00 0.00 175.30 173.48 2g46 s MET 87 N -3.97 -0.01 0.49 3.54 -1.94 -1.07 -3.49 119.30 112.85 2g46 s MET 87 Ca 0.36 0.15 0.04 0.00 -1.71 0.00 0.00 55.69 54.53 2g46 s MET 87 Cb 0.08 -0.16 -0.01 0.00 2.01 0.00 0.00 34.83 36.75 2g46 s MET 87 CO 0.13 -0.11 0.18 1.03 -0.01 0.00 0.00 175.02 176.24 2g46 s ARG 88 N 0.73 2.21 -0.17 2.03 0.52 -0.93 -1.71 118.95 121.63 2g46 s ARG 88 Ca -0.06 -2.13 -0.03 0.00 -0.52 0.00 0.00 55.73 53.00 2g46 s ARG 88 Cb -0.09 -1.84 0.05 0.00 0.52 0.00 0.00 34.95 33.60 2g46 s ARG 88 CO -0.02 -0.37 0.03 0.42 0.02 0.00 0.00 175.30 175.38 2g46 s ILE 89 N -2.77 0.43 0.50 1.52 1.01 0.38 -1.53 121.20 120.75 2g46 s ILE 89 Ca 0.25 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.59 2g46 s ILE 89 Cb 0.01 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.62 2g46 s ILE 89 CO 0.15 -0.13 0.47 -0.36 0.00 0.00 0.00 174.94 175.07 2g46 s PHE 90 N 1.91 2.01 -0.58 3.97 0.40 -0.48 0.16 117.98 125.37 2g46 s PHE 90 Ca 0.01 -0.68 0.04 0.00 -0.60 0.00 0.00 56.93 55.70 2g46 s PHE 90 Cb -0.16 -2.08 0.15 0.00 0.51 0.00 0.00 43.02 41.44 2g46 s PHE 90 CO -0.08 -0.48 0.36 0.95 0.70 0.00 0.00 175.22 176.68 2g46 s THR 91 N -2.63 2.37 0.60 0.64 -4.23 -1.14 -1.19 115.64 110.06 2g46 s THR 91 Ca 0.45 -3.55 0.29 0.00 -1.18 0.00 0.00 61.69 57.70 2g46 s THR 91 Cb -0.03 -2.60 0.38 0.00 1.34 0.00 0.00 72.50 71.58 2g46 s THR 91 CO 0.27 -0.93 1.79 0.16 -0.54 0.00 0.00 174.62 175.37 2g46 h ILE 92 N 4.94 0.28 -3.70 2.99 3.07 -1.77 0.94 117.51 124.27 2g46 h ILE 92 Ca 0.05 0.00 -0.37 0.00 1.55 0.00 0.00 64.86 66.09 2g46 h ILE 92 Cb 0.84 0.51 -0.31 0.00 -0.27 0.00 0.00 36.82 37.58 2g46 h ILE 92 CO 0.65 0.00 -0.76 -0.54 -1.05 0.00 0.00 178.15 176.44 2g46 s LYS 93 N -4.56 0.63 0.64 0.16 1.02 -0.19 -4.39 119.74 113.05 2g46 s LYS 93 Ca -0.04 -0.15 -0.17 0.00 0.02 0.00 0.00 55.97 55.63 2g46 s LYS 93 Cb 0.15 -0.64 -0.09 0.00 -0.52 0.00 0.00 37.83 36.74 2g46 s LYS 93 CO 0.52 0.02 0.31 -2.30 -0.92 0.00 0.00 175.35 172.99 2g46 n PRO 94 N 3.51 0.30 -4.20 -1.68 -0.02 -1.13 -4.74 135.00 127.03 2g46 n PRO 94 Ca -0.20 0.13 -0.18 0.00 -2.02 0.00 0.00 63.50 61.23 2g46 n PRO 94 Cb 0.54 -1.57 -0.12 0.00 -0.02 0.00 0.00 33.50 32.33 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 -1.86 1.03 0.29 4.25 1.01 -0.98 -4.96 121.20 119.96 2g46 s ILE 95 Ca 0.63 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2g46 s ILE 95 Cb -0.40 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 2g46 s ILE 95 CO 0.60 -0.18 0.48 0.00 0.00 0.00 0.00 174.94 175.84 2g46 s ALA 96 N -1.15 3.76 -0.27 9.38 0.00 -1.24 0.17 121.76 132.40 2g46 s ALA 96 Ca -0.02 -0.89 -0.28 0.00 0.00 0.00 0.00 51.96 50.77 2g46 s ALA 96 Cb -0.09 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 2g46 s ALA 96 CO 0.02 0.17 2.05 0.42 0.00 0.00 0.00 175.76 178.42 2g46 s ILE 97 N -2.12 3.20 0.00 0.00 1.01 -0.55 -2.65 121.20 120.08 2g46 s ILE 97 Ca 0.39 0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.24 2g46 s ILE 97 Cb -0.10 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.10 2g46 s ILE 97 CO 0.32 -0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.70 2g46 n GLY 98 N 5.63 1.96 3.10 6.18 0.00 -0.59 -4.93 105.19 116.54 2g46 n GLY 98 Ca 0.27 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.10 2g46 n GLY 98 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2g46 n GLU 99 N -0.24 0.79 -4.44 1.61 -0.58 -1.07 -4.92 120.64 111.79 2g46 n GLU 99 Ca 0.00 -2.70 -0.32 0.00 -0.42 0.00 0.00 57.16 53.72 2g46 n GLU 99 Cb 0.00 0.14 -0.16 0.00 -0.57 0.00 0.00 31.44 30.85 2g46 n GLU 99 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2g46 s GLU 100 N -3.92 2.92 -0.08 3.49 2.12 -1.26 -0.17 118.70 121.80 2g46 s GLU 100 Ca 0.33 -0.81 -0.21 0.00 0.36 0.00 0.00 54.97 54.64 2g46 s GLU 100 Cb -0.03 -2.42 -0.04 0.00 0.26 0.00 0.00 34.13 31.90 2g46 s GLU 100 CO 0.21 -0.09 0.59 0.42 -0.54 0.00 0.00 175.26 175.84 2g46 s ILE 101 N 1.02 5.09 -0.14 -3.70 1.01 0.13 -4.81 121.20 119.80 2g46 s ILE 101 Ca -0.02 1.20 -0.20 0.00 0.00 0.00 0.00 60.65 61.63 2g46 s ILE 101 Cb -0.14 -3.93 0.05 0.00 0.01 0.00 0.00 42.46 38.45 2g46 s ILE 101 CO -0.06 0.31 0.51 0.42 0.00 0.00 0.00 174.94 176.12 2g46 s THR 102 N 0.57 0.01 0.26 2.92 -4.23 -1.26 -2.70 115.64 111.21 2g46 s THR 102 Ca 0.32 -0.09 0.07 0.00 -1.18 0.00 0.00 61.69 60.80 2g46 s THR 102 Cb -0.17 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.88 2g46 s THR 102 CO 0.15 -0.05 0.23 0.27 -0.54 0.00 0.00 174.62 174.67 2g46 s ILE 103 N -0.30 4.39 0.00 2.99 -4.36 -1.01 -4.05 121.20 118.87 2g46 s ILE 103 Ca -0.05 -1.36 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 2g46 s ILE 103 Cb -0.03 -3.42 0.00 0.00 1.25 0.00 0.00 42.46 40.26 2g46 s ILE 103 CO 0.03 -0.32 0.00 -0.24 0.24 0.00 0.00 174.94 174.65 2g46 n SER 104 N -1.23 0.00 0.01 4.36 2.88 -1.26 -4.27 113.62 114.10 2g46 n SER 104 Ca -0.07 -0.89 0.00 0.00 -1.33 0.00 0.00 58.87 56.58 2g46 n SER 104 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 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 -1.16 -0.07 -2.05 0.66 4.01 -1.26 -5.06 117.16 112.22 2g46 n TYR 105 Ca 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2g46 n TYR 105 Cb 0.00 0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 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 3.04 -1.87 5.25 2.72 0.00 -1.25 -4.90 105.19 108.18 2g46 n GLY 106 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 0.43 0.00 0.00 1.61 2.03 -1.26 -2.62 116.55 116.74 2g46 n ASP 107 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2g46 n ASP 107 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 2.19 1.04 -4.64 1.67 2.03 -1.26 -5.04 116.55 112.54 2g46 n ASP 108 Ca 0.00 0.00 -0.56 0.00 0.52 0.00 0.00 54.79 54.75 2g46 n ASP 108 Cb 0.00 0.04 -0.07 0.00 -0.72 0.00 0.00 41.12 40.36 2g46 n ASP 108 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2g46 n TYR 109 N -1.48 1.94 -1.26 -0.67 4.02 -1.08 -4.52 117.16 114.11 2g46 n TYR 109 Ca 0.00 0.50 0.15 0.00 -0.01 0.00 0.00 57.90 58.53 2g46 n TYR 109 Cb 0.12 -2.47 -0.06 0.00 -0.02 0.00 0.00 39.34 36.92 2g46 n TYR 109 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 2g46 n TRP 110 N 6.30 -3.00 -0.06 -0.72 -0.00 -1.26 -3.96 117.44 114.75 2g46 n TRP 110 Ca 0.31 1.58 -0.08 0.00 -0.00 0.00 0.00 57.50 59.31 2g46 n TRP 110 Cb 0.14 -2.72 0.07 0.00 -0.00 0.00 0.00 31.31 28.80 2g46 n TRP 110 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2g46 n LEU 111 N -3.86 0.00 0.00 5.87 4.77 -1.26 -4.77 117.00 117.74 2g46 n LEU 111 Ca -0.04 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 2g46 n LEU 111 Cb 0.63 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2g46 n LEU 111 CO 0.02 -1.83 0.00 -0.24 -1.33 0.00 0.00 177.39 174.01 2g46 n SER 112 N -3.64 0.00 -0.16 -1.43 2.88 -1.26 -4.57 113.62 105.45 2g46 n SER 112 Ca 0.03 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.54 2g46 n SER 112 Cb 0.15 0.05 0.03 0.00 -0.75 0.00 0.00 64.21 63.69 2g46 n SER 112 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2g46 h ARG 113 N 0.00 0.00 -5.33 -1.46 9.65 -2.01 -3.37 114.38 111.86 2g46 h ARG 113 Ca 0.00 -0.00 -0.36 0.00 -1.10 0.00 0.00 59.98 58.52 2g46 h ARG 113 Cb 0.00 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 2g46 h ARG 113 CO 0.00 0.00 1.37 -2.30 2.80 0.00 0.00 179.97 181.84 2g46 n PRO 114 N -5.35 0.56 -0.06 0.20 -0.02 -1.26 -4.71 135.00 124.36 2g46 n PRO 114 Ca 0.04 -0.19 -0.06 0.00 -2.02 0.00 0.00 63.50 61.28 2g46 n PRO 114 Cb 0.26 -2.74 -0.15 0.00 -0.02 0.00 0.00 33.50 30.85 2g46 n PRO 114 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2g46 n ARG 115 N 8.43 0.66 0.00 -0.52 3.00 -1.26 -4.96 116.66 122.01 2g46 n ARG 115 Ca 0.50 0.07 0.00 0.00 -0.01 0.00 0.00 57.85 58.41 2g46 n ARG 115 Cb 0.35 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.19 2g46 n ARG 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2g46 n LEU 116 N -2.78 0.00 -4.59 0.55 4.32 -1.26 -4.71 117.00 108.52 2g46 n LEU 116 Ca -0.23 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.42 2g46 n LEU 116 Cb 1.03 0.00 0.12 0.00 -1.62 0.00 0.00 43.42 42.95 2g46 n LEU 116 CO 0.44 0.00 0.45 0.41 -1.22 0.00 0.00 177.39 177.47 2g46 n THR 117 N 0.00 1.32 -0.95 -5.08 -1.04 -1.26 -4.70 114.28 102.56 2g46 n THR 117 Ca 0.00 -0.21 0.13 0.00 -2.04 0.00 0.00 64.05 61.93 2g46 n THR 117 Cb 0.00 -0.97 -0.03 0.00 -1.82 0.00 0.00 70.33 67.50 2g46 n THR 117 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g46 n GLN 118 N -2.63 -1.92 0.00 -2.82 6.02 -1.26 -5.14 117.38 109.63 2g46 n GLN 118 Ca 0.11 1.27 0.11 0.00 -0.01 0.00 0.00 57.00 58.48 2g46 n GLN 118 Cb 0.51 -2.34 0.09 0.00 1.02 0.00 0.00 30.24 29.52 2g46 n GLN 118 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34