#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 -2.21 0.00 1.12 -1.74 -1.26 -2.36 117.46 111.01 2g46 n PHE 2 Ca 0.00 -2.45 0.00 0.00 -0.56 0.00 0.00 57.45 54.44 2g46 n PHE 2 Cb 0.00 0.82 0.00 0.00 1.52 0.00 0.00 39.48 41.82 2g46 n PHE 2 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 2g46 n ASN 3 N 1.69 0.00 -4.33 5.98 4.13 -0.61 -4.92 115.26 117.20 2g46 n ASN 3 Ca 0.15 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.27 2g46 n ASN 3 Cb 0.58 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.69 2g46 n ASN 3 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2g46 n ASP 4 N -0.80 -1.46 -1.18 6.41 2.03 -1.26 -2.65 116.55 117.63 2g46 n ASP 4 Ca 0.00 -0.94 -0.03 0.00 0.52 0.00 0.00 54.79 54.34 2g46 n ASP 4 Cb 0.00 -0.63 -0.01 0.00 -0.72 0.00 0.00 41.12 39.76 2g46 n ASP 4 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2g46 n ARG 5 N 5.34 -1.18 -3.51 -0.67 1.74 -1.26 -4.82 116.66 112.30 2g46 n ARG 5 Ca 0.42 0.15 -0.14 0.00 -0.77 0.00 0.00 57.85 57.52 2g46 n ARG 5 Cb 0.29 -4.23 -0.04 0.00 -1.02 0.00 0.00 32.46 27.45 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 -1.29 0.01 -0.03 1.55 1.01 -1.09 -4.11 120.40 116.46 2g46 s VAL 6 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 2g46 s VAL 6 Cb 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.38 2g46 s VAL 6 CO 0.00 -0.07 0.12 -0.51 0.00 0.00 0.00 175.10 174.65 2g46 s ILE 7 N -2.82 0.02 -0.00 2.22 2.07 -1.11 -1.58 121.20 120.01 2g46 s ILE 7 Ca -0.03 -0.20 -0.20 0.00 -1.41 0.00 0.00 60.65 58.81 2g46 s ILE 7 Cb -0.00 -0.25 -0.05 0.00 0.13 0.00 0.00 42.46 42.29 2g46 s ILE 7 CO -0.05 -0.11 0.59 0.54 -1.91 0.00 0.00 174.94 174.00 2g46 s VAL 8 N -0.33 4.91 -0.01 4.00 0.11 -1.00 -0.93 120.40 127.16 2g46 s VAL 8 Ca -0.04 1.23 -0.02 0.00 -2.93 0.00 0.00 61.98 60.21 2g46 s VAL 8 Cb -0.03 -3.92 -0.00 0.00 -1.53 0.00 0.00 36.38 30.90 2g46 s VAL 8 CO 0.00 0.43 0.04 -0.54 -3.33 0.00 0.00 175.10 171.70 2g46 s LYS 9 N -0.26 0.18 -1.18 1.54 1.02 -1.09 -4.84 119.74 115.11 2g46 s LYS 9 Ca 0.31 -0.17 -0.12 0.00 0.02 0.00 0.00 55.97 56.01 2g46 s LYS 9 Cb -0.18 0.07 -0.02 0.00 -0.52 0.00 0.00 37.83 37.18 2g46 s LYS 9 CO 0.17 -0.03 0.77 1.63 -0.92 0.00 0.00 175.35 176.97 2g46 n LYS 10 N 2.47 -2.44 -4.16 1.68 4.76 0.42 0.11 118.16 120.99 2g46 n LYS 10 Ca -0.17 0.57 -0.28 0.00 -2.87 0.00 0.00 58.31 55.56 2g46 n LYS 10 Cb 0.58 -4.73 -0.03 0.00 -1.84 0.00 0.00 35.03 29.01 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 -3.73 4.47 0.42 4.39 1.04 -1.24 -5.01 113.70 114.05 2g46 s SER 11 Ca 0.33 -1.38 0.22 0.00 0.48 0.00 0.00 55.95 55.60 2g46 s SER 11 Cb -0.10 0.48 0.83 0.00 0.10 0.00 0.00 66.02 67.33 2g46 s SER 11 CO 0.83 -1.04 1.79 -0.65 0.98 0.00 0.00 173.24 175.15 2g46 h PRO 12 N 0.93 0.00 0.00 4.02 0.11 -1.99 -3.32 132.00 131.74 2g46 h PRO 12 Ca -0.39 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.60 2g46 h PRO 12 Cb 1.31 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.18 2g46 h PRO 12 CO 0.62 0.27 -0.70 -0.11 -0.21 0.00 0.00 178.00 177.87 2g46 n LEU 13 N -3.42 0.32 -4.35 2.35 0.00 -1.26 -5.11 117.00 105.53 2g46 n LEU 13 Ca 0.00 -1.74 -0.18 0.00 0.00 0.00 0.00 56.01 54.10 2g46 n LEU 13 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.78 2g46 n LEU 13 CO 0.34 0.70 -0.27 -0.83 0.00 0.00 0.00 177.39 177.33 2g46 s GLY 14 N -1.45 1.79 0.00 -3.96 0.00 -1.25 -5.16 107.32 97.28 2g46 s GLY 14 Ca 0.18 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 43.00 2g46 s GLY 14 CO -0.09 -1.66 0.00 0.61 0.00 0.00 0.00 173.10 171.96 2g46 n GLY 15 N -0.51 1.51 2.87 0.20 0.00 -1.26 -3.62 105.19 104.38 2g46 n GLY 15 Ca -0.01 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 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 2.55 -3.01 1.61 4.01 -1.22 0.16 117.16 121.26 2g46 n TYR 16 Ca 0.00 -2.66 0.00 0.00 -0.16 0.00 0.00 57.90 55.08 2g46 n TYR 16 Cb 0.00 -1.55 0.00 0.00 -0.31 0.00 0.00 39.34 37.48 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 1.76 5.43 3.83 2.72 0.00 0.12 -4.32 105.19 114.72 2g46 n GLY 17 Ca 0.36 -2.08 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 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 0.79 5.47 -0.21 1.61 1.01 -1.06 -2.66 120.40 125.35 2g46 s VAL 18 Ca 0.00 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.10 2g46 s VAL 18 Cb 0.00 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 2g46 s VAL 18 CO 0.00 0.55 0.12 0.12 0.00 0.00 0.00 175.10 175.90 2g46 s PHE 19 N -0.53 3.33 -0.71 5.22 5.36 -0.10 0.21 117.98 130.77 2g46 s PHE 19 Ca 0.13 0.21 -0.21 0.00 -0.96 0.00 0.00 56.93 56.10 2g46 s PHE 19 Cb -0.12 -2.18 0.09 0.00 -0.34 0.00 0.00 43.02 40.47 2g46 s PHE 19 CO 0.02 0.17 0.96 0.00 -1.46 0.00 0.00 175.22 174.91 2g46 s ALA 20 N 0.62 3.21 -0.20 11.12 0.00 0.88 -2.74 121.76 134.65 2g46 s ALA 20 Ca 0.07 -2.09 0.28 0.00 0.00 0.00 0.00 51.96 50.22 2g46 s ALA 20 Cb -0.12 -3.86 0.84 0.00 0.00 0.00 0.00 23.12 19.99 2g46 s ALA 20 CO 0.01 -2.76 1.79 -0.09 0.00 0.00 0.00 175.76 174.70 2g46 h ARG 21 N 9.37 0.00 0.00 0.00 2.43 -1.72 -2.96 114.38 121.49 2g46 h ARG 21 Ca -0.19 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.50 2g46 h ARG 21 Cb 1.06 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 30.67 2g46 h ARG 21 CO 1.16 0.00 0.04 1.63 -1.51 0.00 0.00 179.97 181.28 2g46 n LYS 22 N -3.05 0.20 0.00 0.20 4.01 -1.26 -4.16 118.16 114.10 2g46 n LYS 22 Ca 0.02 -2.92 0.00 0.00 -0.51 0.00 0.00 58.31 54.90 2g46 n LYS 22 Cb 0.42 -0.48 0.00 0.00 -0.51 0.00 0.00 35.03 34.45 2g46 n LYS 22 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 2g46 n SER 23 N -2.65 0.00 -4.58 4.39 7.64 0.87 -0.96 113.62 118.32 2g46 n SER 23 Ca 0.17 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.81 2g46 n SER 23 Cb 0.60 0.00 -0.08 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 2.52 0.00 1.43 0.08 -1.06 -4.95 117.98 114.01 2g46 s PHE 24 Ca 0.00 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.76 2g46 s PHE 24 Cb 0.00 -1.15 0.00 0.00 -0.57 0.00 0.00 43.02 41.30 2g46 s PHE 24 CO 0.00 0.64 0.00 -1.91 -0.10 0.00 0.00 175.22 173.85 2g46 n GLU 25 N -0.80 3.21 -3.23 0.44 2.13 -1.26 -2.17 120.64 118.96 2g46 n GLU 25 Ca -0.06 0.00 -0.46 0.00 0.66 0.00 0.00 57.16 57.31 2g46 n GLU 25 Cb 0.60 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.29 2g46 n GLU 25 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2g46 s LYS 26 N 2.87 3.80 0.00 5.31 2.20 -1.26 -2.32 119.74 130.33 2g46 s LYS 26 Ca 0.00 -2.55 0.00 0.00 -0.36 0.00 0.00 55.97 53.06 2g46 s LYS 26 Cb 0.00 -4.60 0.00 0.00 -1.51 0.00 0.00 37.83 31.72 2g46 s LYS 26 CO 0.00 -1.40 0.00 0.41 -0.36 0.00 0.00 175.35 174.00 2g46 n GLY 27 N 3.92 0.77 3.44 5.54 0.00 0.85 -4.91 105.19 114.80 2g46 n GLY 27 Ca 0.20 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.71 0.62 0.73 1.61 2.02 -1.26 -4.92 118.70 116.79 2g46 s GLU 28 Ca 0.00 0.80 -0.16 0.00 0.02 0.00 0.00 54.97 55.63 2g46 s GLU 28 Cb 0.00 0.26 -0.01 0.00 0.10 0.00 0.00 34.13 34.49 2g46 s GLU 28 CO 0.00 -0.09 0.80 -0.11 0.02 0.00 0.00 175.26 175.88 2g46 n LEU 29 N 3.06 2.42 0.00 1.80 0.00 -1.26 -3.28 117.00 119.75 2g46 n LEU 29 Ca -0.15 0.62 0.00 0.00 0.00 0.00 0.00 56.01 56.48 2g46 n LEU 29 Cb 0.56 -1.33 0.00 0.00 0.00 0.00 0.00 43.42 42.65 2g46 n LEU 29 CO 0.08 -2.48 -0.05 0.52 0.00 0.00 0.00 177.39 175.46 2g46 n VAL 30 N -2.54 0.00 -3.43 1.96 0.31 0.23 -4.91 118.33 109.96 2g46 n VAL 30 Ca 0.12 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.46 2g46 n VAL 30 Cb 0.50 -0.56 -0.03 0.00 -0.91 0.00 0.00 33.84 32.84 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 -1.94 0.54 0.04 5.55 2.56 -1.22 -4.82 118.70 119.42 2g46 s GLU 31 Ca 0.00 1.19 0.07 0.00 0.00 0.00 0.00 54.97 56.23 2g46 s GLU 31 Cb 0.00 0.70 -0.03 0.00 2.00 0.00 0.00 34.13 36.80 2g46 s GLU 31 CO 0.00 -0.35 -0.21 -1.83 -0.56 0.00 0.00 175.26 172.31 2g46 s GLU 32 N 2.85 1.42 0.00 4.30 -1.05 -1.26 -2.41 118.70 122.55 2g46 s GLU 32 Ca 0.04 -0.95 0.00 0.00 -0.15 0.00 0.00 54.97 53.91 2g46 s GLU 32 Cb -0.13 -1.53 0.00 0.00 -0.44 0.00 0.00 34.13 32.03 2g46 s GLU 32 CO -0.19 0.39 0.00 0.00 0.95 0.00 0.00 175.26 176.41 2g46 s LEU 34 N 0.00 3.00 0.10 0.00 2.01 -1.26 -0.82 118.68 121.72 2g46 s LEU 34 Ca 0.00 -0.55 -0.13 0.00 0.01 0.00 0.00 54.13 53.45 2g46 s LEU 34 Cb 0.00 -1.80 0.02 0.00 0.01 0.00 0.00 46.19 44.42 2g46 s LEU 34 CO 0.00 -1.74 0.32 0.00 1.01 0.00 0.00 176.35 175.94 2g46 s ILE 36 N -3.66 4.40 -0.21 0.00 1.01 -1.06 -4.81 121.20 116.87 2g46 s ILE 36 Ca 0.03 -1.17 -0.21 0.00 0.00 0.00 0.00 60.65 59.29 2g46 s ILE 36 Cb 0.03 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 2g46 s ILE 36 CO -0.11 -0.40 0.65 -0.69 0.00 0.00 0.00 174.94 174.40 2g46 s VAL 37 N 1.48 4.99 0.02 2.92 1.01 -1.26 -1.08 120.40 128.48 2g46 s VAL 37 Ca 0.02 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.22 2g46 s VAL 37 Cb -0.22 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 2g46 s VAL 37 CO 0.04 0.07 -0.03 -0.60 0.00 0.00 0.00 175.10 174.58 2g46 s ARG 38 N 2.14 0.29 0.37 2.72 6.06 -0.53 -5.00 118.95 125.00 2g46 s ARG 38 Ca 0.29 -0.55 -0.06 0.00 -2.50 0.00 0.00 55.73 52.91 2g46 s ARG 38 Cb -0.16 0.06 0.09 0.00 0.06 0.00 0.00 34.95 35.01 2g46 s ARG 38 CO 0.10 -0.03 0.25 0.72 -2.50 0.00 0.00 175.30 173.83 2g46 n HIS 39 N 1.78 -2.71 -3.38 5.12 8.25 -1.26 -2.29 115.22 120.73 2g46 n HIS 39 Ca -0.22 -0.23 -0.41 0.00 -0.26 0.00 0.00 57.72 56.60 2g46 n HIS 39 Cb 0.56 -0.32 -0.09 0.00 1.12 0.00 0.00 29.99 31.26 2g46 n HIS 39 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2g46 s ASN 40 N -2.28 6.19 0.00 0.41 3.84 -1.26 -4.46 114.94 117.38 2g46 s ASN 40 Ca 0.18 -0.29 0.00 0.00 0.21 0.00 0.00 52.86 52.96 2g46 s ASN 40 Cb -0.03 -2.21 0.00 0.00 -0.55 0.00 0.00 41.25 38.47 2g46 s ASN 40 CO 0.15 -0.39 0.00 -0.67 -2.79 0.00 0.00 177.10 173.40 2g46 n ASP 41 N 5.44 0.98 -0.04 -4.21 -0.08 -1.26 -4.88 116.55 112.51 2g46 n ASP 41 Ca -0.08 0.00 0.24 0.00 -1.51 0.00 0.00 54.79 53.44 2g46 n ASP 41 Cb 0.49 0.00 0.69 0.00 2.34 0.00 0.00 41.12 44.64 2g46 n ASP 41 CO 0.00 0.00 0.00 -2.24 0.12 0.00 0.00 177.20 175.08 2g46 h ASP 42 N 0.00 0.00 -0.21 1.67 3.04 -2.00 0.66 116.42 119.59 2g46 h ASP 42 Ca 0.00 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.68 2g46 h ASP 42 Cb 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2g46 h ASP 42 CO 0.00 0.00 -0.30 -0.25 -2.04 0.00 0.00 179.24 176.65 2g46 h TRP 43 N 0.00 0.70 -0.18 4.15 2.91 -1.92 0.11 115.95 121.73 2g46 h TRP 43 Ca 0.31 -0.23 0.05 0.00 1.13 0.00 0.00 58.89 60.15 2g46 h TRP 43 Cb 1.62 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 30.13 2g46 h TRP 43 CO 0.00 0.95 0.14 0.78 -1.03 0.00 0.00 178.44 179.29 2g46 h GLY 44 N 0.25 0.00 0.00 2.65 0.00 0.11 -0.68 103.07 105.41 2g46 h GLY 44 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2g46 h GLY 44 CO 0.07 0.00 -0.33 2.41 0.00 0.00 0.00 176.54 178.69 2g46 n THR 45 N -4.23 0.88 -0.02 4.70 -1.04 -1.00 -2.80 114.28 110.78 2g46 n THR 45 Ca 0.01 0.32 -0.14 0.00 -2.04 0.00 0.00 64.05 62.21 2g46 n THR 45 Cb 0.27 -2.05 -0.08 0.00 -1.82 0.00 0.00 70.33 66.65 2g46 n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g46 h ALA 46 N -1.38 -0.76 -0.59 2.41 0.00 -0.79 0.11 119.26 118.26 2g46 h ALA 46 Ca 0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 54.91 54.46 2g46 h ALA 46 Cb 0.33 0.93 -0.17 0.00 0.00 0.00 0.00 17.79 18.88 2g46 h ALA 46 CO 0.00 -1.02 0.51 1.28 0.00 0.00 0.00 179.25 180.02 2g46 n LEU 47 N -5.44 6.73 0.00 0.00 7.99 -0.26 -4.54 117.00 121.49 2g46 n LEU 47 Ca -0.05 -3.58 0.05 0.00 -0.01 0.00 0.00 56.01 52.42 2g46 n LEU 47 Cb 0.37 -1.06 0.24 0.00 -0.11 0.00 0.00 43.42 42.86 2g46 n LEU 47 CO 0.09 1.33 0.65 -1.84 -1.51 0.00 0.00 177.39 176.11 2g46 n GLU 48 N 0.14 0.05 -4.34 3.23 -0.00 0.39 -4.49 120.64 115.62 2g46 n GLU 48 Ca 0.38 0.27 -0.26 0.00 -0.00 0.00 0.00 57.16 57.56 2g46 n GLU 48 Cb 0.59 -1.50 -0.09 0.00 -0.00 0.00 0.00 31.44 30.44 2g46 n GLU 48 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2g46 s ASP 49 N -2.85 4.19 -1.19 -1.84 -1.08 -1.26 -4.62 116.67 108.02 2g46 s ASP 49 Ca 0.07 -1.18 0.00 0.00 -0.52 0.00 0.00 52.55 50.92 2g46 s ASP 49 Cb 0.07 -0.45 0.00 0.00 -1.46 0.00 0.00 42.92 41.07 2g46 s ASP 49 CO 0.18 -0.47 0.00 -1.22 0.52 0.00 0.00 175.17 174.18 2g46 n TYR 50 N -1.10 -0.99 -4.61 -5.34 4.01 -1.26 -4.92 117.16 102.94 2g46 n TYR 50 Ca -0.03 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.38 2g46 n TYR 50 Cb 0.65 -2.68 -0.15 0.00 -0.31 0.00 0.00 39.34 36.85 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 -4.84 2.52 -0.57 7.72 1.02 -1.26 -2.61 118.68 120.66 2g46 s LEU 51 Ca 0.00 -0.44 -0.22 0.00 0.02 0.00 0.00 54.13 53.49 2g46 s LEU 51 Cb 0.00 -1.57 0.05 0.00 0.02 0.00 0.00 46.19 44.69 2g46 s LEU 51 CO 0.00 0.10 0.87 -0.36 0.02 0.00 0.00 176.35 176.98 2g46 s PHE 52 N 0.70 2.83 -0.24 0.29 0.40 0.69 -4.84 117.98 117.81 2g46 s PHE 52 Ca -0.07 -0.30 -0.21 0.00 -0.60 0.00 0.00 56.93 55.75 2g46 s PHE 52 Cb -0.16 -4.01 -0.02 0.00 0.51 0.00 0.00 43.02 39.35 2g46 s PHE 52 CO 0.02 -1.35 0.65 0.45 0.70 0.00 0.00 175.22 175.69 2g46 s SER 53 N 3.05 6.63 0.65 1.36 0.15 -1.26 -2.54 113.70 121.74 2g46 s SER 53 Ca 0.24 0.77 0.05 0.00 0.70 0.00 0.00 55.95 57.71 2g46 s SER 53 Cb -0.16 -2.35 0.12 0.00 -1.71 0.00 0.00 66.02 61.92 2g46 s SER 53 CO 0.15 -0.37 0.88 -1.14 1.20 0.00 0.00 173.24 173.96 2g46 n ARG 54 N 5.63 0.26 -2.71 5.44 0.63 -0.36 -4.98 116.66 120.58 2g46 n ARG 54 Ca 0.00 -2.86 -0.43 0.00 -0.92 0.00 0.00 57.85 53.63 2g46 n ARG 54 Cb 0.49 -0.44 -0.00 0.00 0.45 0.00 0.00 32.46 32.95 2g46 n ARG 54 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2g46 s LYS 55 N -4.82 3.99 0.00 -0.14 2.20 -1.26 -2.84 119.74 116.88 2g46 s LYS 55 Ca 0.62 -2.14 0.00 0.00 -0.36 0.00 0.00 55.97 54.09 2g46 s LYS 55 Cb -0.04 -5.36 0.00 0.00 -1.51 0.00 0.00 37.83 30.92 2g46 s LYS 55 CO 0.41 -2.09 0.00 0.09 -0.36 0.00 0.00 175.35 173.40 2g46 n ASN 56 N 7.49 0.00 -3.41 1.43 4.13 -1.26 -5.14 115.26 118.50 2g46 n ASN 56 Ca 0.44 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.72 2g46 n ASN 56 Cb 0.45 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.70 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 0.16 -5.06 3.52 0.00 -1.13 -4.88 117.12 109.73 2g46 n MET 57 Ca 0.00 -0.67 -0.28 0.00 0.00 0.00 0.00 57.70 56.75 2g46 n MET 57 Cb 0.00 1.10 -0.16 0.00 0.00 0.00 0.00 33.22 34.16 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 -3.42 2.54 0.08 3.17 0.01 -0.97 -1.22 113.70 113.90 2g46 s SER 58 Ca 0.26 -0.40 0.04 0.00 1.31 0.00 0.00 55.95 57.16 2g46 s SER 58 Cb -0.01 -0.37 -0.03 0.00 0.21 0.00 0.00 66.02 65.83 2g46 s SER 58 CO -0.00 0.25 -0.11 0.00 0.41 0.00 0.00 173.24 173.79 2g46 s ALA 59 N -0.42 1.05 0.35 1.44 0.00 -1.05 -1.45 121.76 121.68 2g46 s ALA 59 Ca 0.06 -1.08 -0.07 0.00 0.00 0.00 0.00 51.96 50.87 2g46 s ALA 59 Cb -0.09 -0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 2g46 s ALA 59 CO -0.00 0.02 0.65 1.41 0.00 0.00 0.00 175.76 177.84 2g46 s MET 60 N -2.35 3.68 -0.83 0.00 1.75 -0.24 -0.22 119.30 121.08 2g46 s MET 60 Ca 0.01 0.19 -0.20 0.00 -1.25 0.00 0.00 55.69 54.44 2g46 s MET 60 Cb -0.06 -2.53 0.11 0.00 2.84 0.00 0.00 34.83 35.19 2g46 s MET 60 CO 0.01 0.09 1.07 0.00 -0.65 0.00 0.00 175.02 175.54 2g46 s ALA 61 N -2.24 3.25 0.42 4.11 0.00 -1.07 -2.55 121.76 123.68 2g46 s ALA 61 Ca 0.47 -2.42 0.13 0.00 0.00 0.00 0.00 51.96 50.14 2g46 s ALA 61 Cb -0.10 -3.99 1.00 0.00 0.00 0.00 0.00 23.12 20.02 2g46 s ALA 61 CO 0.31 -2.92 1.96 1.37 0.00 0.00 0.00 175.76 176.48 2g46 h LEU 62 N 10.82 0.41 0.00 0.00 8.10 -1.27 -3.39 115.31 129.99 2g46 h LEU 62 Ca -0.00 0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.00 2g46 h LEU 62 Cb 1.04 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.19 2g46 h LEU 62 CO 1.15 0.24 0.00 0.61 -4.11 0.00 0.00 178.44 176.33 2g46 n GLY 63 N -1.51 1.09 1.21 0.17 0.00 -1.18 -4.72 105.19 100.24 2g46 n GLY 63 Ca 0.11 -1.03 0.04 0.00 0.00 0.00 0.00 46.02 45.14 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 1.07 0.32 1.61 3.01 -1.26 -4.27 117.46 117.94 2g46 n PHE 64 Ca 0.00 -0.38 0.20 0.00 1.01 0.00 0.00 57.45 58.29 2g46 n PHE 64 Cb 0.00 -0.30 1.07 0.00 -0.01 0.00 0.00 39.48 40.23 2g46 n PHE 64 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2g46 h GLY 65 N 4.53 0.00 0.00 1.37 0.00 -1.90 -2.79 103.07 104.28 2g46 h GLY 65 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2g46 h GLY 65 CO 0.25 0.00 -0.59 0.00 0.00 0.00 0.00 176.54 176.19 2g46 n ALA 66 N -2.13 0.49 0.28 3.60 0.00 -1.26 -4.20 120.51 117.28 2g46 n ALA 66 Ca -0.02 -0.44 0.13 0.00 0.00 0.00 0.00 53.44 53.11 2g46 n ALA 66 Cb 0.12 -0.03 0.70 0.00 0.00 0.00 0.00 19.45 20.24 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 0.00 -2.74 0.00 -0.00 -1.80 -3.43 117.51 108.53 2g46 h ILE 67 Ca -0.03 0.00 -0.59 0.00 -0.00 0.00 0.00 64.86 64.24 2g46 h ILE 67 Cb 0.59 0.57 0.15 0.00 -0.00 0.00 0.00 36.82 38.13 2g46 h ILE 67 CO -0.02 0.00 -0.23 0.49 -0.00 0.00 0.00 178.15 178.39 2g46 n PHE 68 N -2.63 -0.05 -4.51 0.16 3.72 -1.06 -3.72 117.46 109.37 2g46 n PHE 68 Ca -0.02 0.54 -0.28 0.00 -0.05 0.00 0.00 57.45 57.65 2g46 n PHE 68 Cb 0.32 -2.05 -0.09 0.00 -0.94 0.00 0.00 39.48 36.72 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 -0.97 4.06 0.16 4.37 0.01 -1.26 -4.86 114.94 116.45 2g46 s ASN 69 Ca 0.65 -1.34 -0.08 0.00 -0.71 0.00 0.00 52.86 51.38 2g46 s ASN 69 Cb -0.54 -0.26 -0.06 0.00 0.41 0.00 0.00 41.25 40.80 2g46 s ASN 69 CO 0.56 -0.55 0.46 -2.28 -1.51 0.00 0.00 177.10 173.78 2g46 s HIS 70 N -2.71 3.49 -0.28 2.20 2.46 -1.25 -1.13 115.29 118.07 2g46 s HIS 70 Ca 0.32 0.76 -0.17 0.00 0.47 0.00 0.00 55.06 56.44 2g46 s HIS 70 Cb 0.07 -2.16 0.08 0.00 -0.13 0.00 0.00 32.58 30.44 2g46 s HIS 70 CO 0.17 0.39 0.70 0.45 -2.47 0.00 0.00 174.74 173.99 2g46 s SER 71 N -2.20 -0.91 0.56 9.88 0.15 -1.26 -4.93 113.70 114.99 2g46 s SER 71 Ca 0.41 1.49 0.29 0.00 0.70 0.00 0.00 55.95 58.84 2g46 s SER 71 Cb -0.12 1.39 1.47 0.00 -1.71 0.00 0.00 66.02 67.05 2g46 s SER 71 CO 0.21 -0.24 1.91 0.11 1.20 0.00 0.00 173.24 176.44 2g46 h LYS 72 N 6.68 0.00 -2.84 5.44 6.56 -1.98 -3.01 116.57 127.42 2g46 h LYS 72 Ca -0.30 0.00 -0.64 0.00 -1.06 0.00 0.00 60.65 58.66 2g46 h LYS 72 Cb 1.22 0.00 -0.40 0.00 -0.57 0.00 0.00 32.23 32.48 2g46 h LYS 72 CO 0.15 0.00 -0.43 -3.47 -2.06 0.00 0.00 179.45 173.63 2g46 n ASP 73 N -4.00 3.62 -4.57 0.86 -0.08 -1.26 -4.21 116.55 106.90 2g46 n ASP 73 Ca 0.12 -3.28 -0.40 0.00 -1.51 0.00 0.00 54.79 49.72 2g46 n ASP 73 Cb 0.74 -0.80 -0.03 0.00 2.34 0.00 0.00 41.12 43.37 2g46 n ASP 73 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 2g46 s PRO 74 N -1.84 2.74 0.04 -0.67 0.04 -1.14 -4.81 135.00 129.36 2g46 s PRO 74 Ca 0.30 1.28 0.19 0.00 0.04 0.00 0.00 61.00 62.81 2g46 s PRO 74 Cb 0.02 -4.39 0.79 0.00 0.04 0.00 0.00 34.50 30.95 2g46 s PRO 74 CO -0.10 -2.57 1.59 0.09 0.04 0.00 0.00 177.00 176.05 2g46 n ASN 75 N 12.87 0.11 -3.89 6.66 4.13 -1.26 -4.80 115.26 129.08 2g46 n ASN 75 Ca 0.27 0.52 -0.09 0.00 1.68 0.00 0.00 54.58 56.97 2g46 n ASN 75 Cb 0.50 -0.55 -0.08 0.00 -1.54 0.00 0.00 39.78 38.12 2g46 n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2g46 s ALA 76 N -3.04 -0.11 0.15 5.41 0.00 -1.25 -2.70 121.76 120.21 2g46 s ALA 76 Ca 0.08 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.40 2g46 s ALA 76 Cb 0.11 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 2g46 s ALA 76 CO 0.34 -0.51 -0.16 0.50 0.00 0.00 0.00 175.76 175.93 2g46 s ARG 77 N -3.88 1.17 -0.00 0.00 6.06 -0.85 -4.48 118.95 116.97 2g46 s ARG 77 Ca 0.07 -1.35 -0.19 0.00 -2.50 0.00 0.00 55.73 51.75 2g46 s ARG 77 Cb 0.05 -1.13 -0.06 0.00 0.06 0.00 0.00 34.95 33.88 2g46 s ARG 77 CO -0.10 0.22 0.54 -3.38 -2.50 0.00 0.00 175.30 170.09 2g46 s HIS 78 N -2.17 3.69 0.35 5.12 -3.43 -1.26 -2.12 115.29 115.48 2g46 s HIS 78 Ca 0.13 1.14 0.09 0.00 -0.80 0.00 0.00 55.06 55.62 2g46 s HIS 78 Cb -0.05 -2.53 -0.06 0.00 -1.43 0.00 0.00 32.58 28.52 2g46 s HIS 78 CO 0.05 0.42 0.00 -2.00 -2.00 0.00 0.00 174.74 171.21 2g46 s GLU 79 N -0.41 2.04 0.28 -0.38 2.12 0.67 -4.96 118.70 118.05 2g46 s GLU 79 Ca 0.29 -1.81 0.10 0.00 0.36 0.00 0.00 54.97 53.91 2g46 s GLU 79 Cb -0.18 -1.88 -0.05 0.00 0.26 0.00 0.00 34.13 32.28 2g46 s GLU 79 CO 0.16 0.11 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.33 2g46 s LEU 80 N -3.71 2.60 -0.11 2.70 1.43 -1.26 -0.42 118.68 119.92 2g46 s LEU 80 Ca 0.35 -1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 52.36 2g46 s LEU 80 Cb 0.01 -0.95 0.03 0.00 0.03 0.00 0.00 46.19 45.31 2g46 s LEU 80 CO 0.19 -0.09 -0.05 -0.89 0.23 0.00 0.00 176.35 175.74 2g46 s THR 81 N -2.67 0.83 -0.95 5.49 2.01 0.19 -4.75 115.64 115.79 2g46 s THR 81 Ca 0.29 -0.19 -0.09 0.00 0.31 0.00 0.00 61.69 62.01 2g46 s THR 81 Cb -0.02 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 2g46 s THR 81 CO 0.13 0.31 0.76 0.00 -0.69 0.00 0.00 174.62 175.14 2g46 n ALA 82 N 5.00 -2.57 -0.28 7.40 0.00 -1.26 -2.41 120.51 126.39 2g46 n ALA 82 Ca -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2g46 n ALA 82 Cb 0.50 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 16.84 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 -1.62 2.77 0.54 0.00 0.00 -1.26 -2.96 105.19 102.65 2g46 n GLY 83 Ca -0.10 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.69 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 2.86 0.01 0.99 4.77 -1.26 -4.76 117.00 119.61 2g46 n LEU 84 Ca 0.00 -3.61 -0.07 0.00 -0.03 0.00 0.00 56.01 52.31 2g46 n LEU 84 Cb 0.00 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.52 2g46 n LEU 84 CO 0.00 1.15 0.21 0.11 -1.33 0.00 0.00 177.39 177.53 2g46 h LYS 85 N 0.75 -0.14 -6.84 3.23 1.79 -1.51 -3.39 116.57 110.45 2g46 h LYS 85 Ca 0.03 0.01 -0.68 0.00 -2.18 0.00 0.00 60.65 57.83 2g46 h LYS 85 Cb 1.12 0.03 -0.21 0.00 -1.58 0.00 0.00 32.23 31.59 2g46 h LYS 85 CO 0.07 0.18 -0.85 1.03 -1.08 0.00 0.00 179.45 178.80 2g46 s ARG 86 N -2.47 1.50 0.08 3.15 0.52 -1.01 -1.01 118.95 119.72 2g46 s ARG 86 Ca -0.08 -1.32 0.08 0.00 -0.52 0.00 0.00 55.73 53.89 2g46 s ARG 86 Cb -0.00 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 2g46 s ARG 86 CO 0.29 0.45 -0.19 -1.64 0.02 0.00 0.00 175.30 174.23 2g46 s MET 87 N -2.14 1.86 0.26 3.54 -1.94 0.00 0.54 119.30 121.43 2g46 s MET 87 Ca 0.16 -1.11 0.07 0.00 -1.71 0.00 0.00 55.69 53.10 2g46 s MET 87 Cb -0.10 -2.12 -0.05 0.00 2.01 0.00 0.00 34.83 34.57 2g46 s MET 87 CO 0.07 0.50 -0.10 1.03 -0.01 0.00 0.00 175.02 176.52 2g46 s ARG 88 N -1.81 1.51 -0.15 2.03 0.52 0.44 -1.02 118.95 120.48 2g46 s ARG 88 Ca 0.16 -1.73 -0.03 0.00 -0.52 0.00 0.00 55.73 53.61 2g46 s ARG 88 Cb -0.10 -1.22 0.05 0.00 0.52 0.00 0.00 34.95 34.20 2g46 s ARG 88 CO 0.07 0.11 0.04 0.42 0.02 0.00 0.00 175.30 175.96 2g46 s ILE 89 N -2.94 0.34 0.53 1.52 1.01 -1.01 -0.24 121.20 120.41 2g46 s ILE 89 Ca 0.28 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.72 2g46 s ILE 89 Cb 0.02 -0.77 0.02 0.00 0.01 0.00 0.00 42.46 41.74 2g46 s ILE 89 CO 0.11 -0.07 0.29 -0.36 0.00 0.00 0.00 174.94 174.91 2g46 s PHE 90 N 1.96 1.74 -0.35 3.97 0.40 -0.90 -0.60 117.98 124.20 2g46 s PHE 90 Ca 0.02 -0.86 0.03 0.00 -0.60 0.00 0.00 56.93 55.52 2g46 s PHE 90 Cb -0.15 -1.84 0.10 0.00 0.51 0.00 0.00 43.02 41.64 2g46 s PHE 90 CO -0.07 -0.26 0.07 0.95 0.70 0.00 0.00 175.22 176.61 2g46 s THR 91 N -2.79 2.12 0.56 0.64 -4.23 -1.20 -2.00 115.64 108.72 2g46 s THR 91 Ca 0.27 -2.31 0.29 0.00 -1.18 0.00 0.00 61.69 58.76 2g46 s THR 91 Cb -0.01 -2.56 0.42 0.00 1.34 0.00 0.00 72.50 71.69 2g46 s THR 91 CO 0.17 -0.63 1.93 0.16 -0.54 0.00 0.00 174.62 175.71 2g46 h ILE 92 N 6.49 0.54 -3.95 2.99 3.07 -1.82 0.24 117.51 125.06 2g46 h ILE 92 Ca -0.05 0.00 -0.33 0.00 1.55 0.00 0.00 64.86 66.03 2g46 h ILE 92 Cb 1.01 0.64 -0.26 0.00 -0.27 0.00 0.00 36.82 37.94 2g46 h ILE 92 CO 0.53 0.00 -0.75 -1.59 -1.05 0.00 0.00 178.15 175.28 2g46 s LYS 93 N -4.85 0.55 0.45 0.16 -2.85 -1.13 -4.32 119.74 107.74 2g46 s LYS 93 Ca -0.05 -0.46 -0.22 0.00 -1.00 0.00 0.00 55.97 54.24 2g46 s LYS 93 Cb 0.19 -0.46 -0.11 0.00 -2.06 0.00 0.00 37.83 35.39 2g46 s LYS 93 CO 0.67 0.11 0.72 -2.30 0.10 0.00 0.00 175.35 174.66 2g46 n PRO 94 N 2.31 0.83 -4.46 1.78 -0.02 -0.98 -4.72 135.00 129.74 2g46 n PRO 94 Ca -0.17 0.30 -0.27 0.00 -2.02 0.00 0.00 63.50 61.35 2g46 n PRO 94 Cb 0.56 -1.74 -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 -1.43 1.96 0.29 4.25 1.01 -0.92 -4.95 121.20 121.41 2g46 s ILE 95 Ca 0.65 -1.55 -0.09 0.00 0.00 0.00 0.00 60.65 59.66 2g46 s ILE 95 Cb -0.56 -1.74 -0.07 0.00 0.01 0.00 0.00 42.46 40.10 2g46 s ILE 95 CO 0.56 0.09 0.61 0.00 0.00 0.00 0.00 174.94 176.21 2g46 s ALA 96 N -1.02 3.52 0.66 9.38 0.00 -1.24 -0.09 121.76 132.96 2g46 s ALA 96 Ca 0.10 -0.31 0.31 0.00 0.00 0.00 0.00 51.96 52.06 2g46 s ALA 96 Cb -0.10 -2.48 1.70 0.00 0.00 0.00 0.00 23.12 22.24 2g46 s ALA 96 CO 0.04 0.32 1.96 0.82 0.00 0.00 0.00 175.76 178.90 2g46 h ILE 97 N 1.64 0.02 -2.23 0.00 2.04 -1.21 -2.32 117.51 115.44 2g46 h ILE 97 Ca -0.47 0.00 -0.67 0.00 1.00 0.00 0.00 64.86 64.72 2g46 h ILE 97 Cb 1.18 0.70 -0.36 0.00 -0.74 0.00 0.00 36.82 37.59 2g46 h ILE 97 CO 0.67 0.00 -0.02 0.61 0.00 0.00 0.00 178.15 179.41 2g46 n GLY 98 N -1.22 5.82 3.45 5.37 0.00 -1.25 -3.92 105.19 113.44 2g46 n GLY 98 Ca -0.02 -2.71 -0.24 0.00 0.00 0.00 0.00 46.02 43.05 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 -3.80 1.91 -0.09 1.61 0.41 -0.87 -5.02 118.70 112.85 2g46 s GLU 99 Ca 0.46 -2.16 0.03 0.00 -0.41 0.00 0.00 54.97 52.89 2g46 s GLU 99 Cb 0.26 -0.31 0.01 0.00 -1.78 0.00 0.00 34.13 32.31 2g46 s GLU 99 CO -0.15 -0.56 -0.16 -2.00 -0.49 0.00 0.00 175.26 171.90 2g46 s GLU 100 N -3.61 2.23 -0.05 1.61 2.12 -1.26 -0.09 118.70 119.66 2g46 s GLU 100 Ca 0.28 -0.59 -0.20 0.00 0.36 0.00 0.00 54.97 54.82 2g46 s GLU 100 Cb 0.02 -1.81 -0.05 0.00 0.26 0.00 0.00 34.13 32.56 2g46 s GLU 100 CO 0.19 0.04 0.58 0.42 -0.54 0.00 0.00 175.26 175.94 2g46 s ILE 101 N 0.69 5.03 0.20 -3.70 1.01 0.13 -4.78 121.20 119.77 2g46 s ILE 101 Ca -0.13 1.19 -0.13 0.00 0.00 0.00 0.00 60.65 61.58 2g46 s ILE 101 Cb -0.16 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2g46 s ILE 101 CO 0.03 0.36 0.41 0.42 0.00 0.00 0.00 174.94 176.17 2g46 s THR 102 N 0.24 0.04 0.06 2.92 -4.23 -1.26 -2.55 115.64 110.86 2g46 s THR 102 Ca 0.31 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 2g46 s THR 102 Cb -0.17 -1.84 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 2g46 s THR 102 CO 0.15 -0.16 -0.05 0.27 -0.54 0.00 0.00 174.62 174.29 2g46 s ILE 103 N -3.95 0.42 0.00 2.99 -5.25 -0.29 -3.87 121.20 111.25 2g46 s ILE 103 Ca 0.16 -1.56 0.00 0.00 -0.99 0.00 0.00 60.65 58.25 2g46 s ILE 103 Cb 0.01 -1.19 0.00 0.00 2.95 0.00 0.00 42.46 44.23 2g46 s ILE 103 CO 0.01 -0.76 0.00 -0.24 -1.79 0.00 0.00 174.94 172.16 2g46 n SER 104 N 0.56 0.00 0.07 4.36 2.88 -1.26 -3.79 113.62 116.44 2g46 n SER 104 Ca -0.17 -0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 2g46 n SER 104 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 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 -0.49 -0.98 -0.91 0.66 4.01 -1.26 -5.01 117.16 113.18 2g46 n TYR 105 Ca 0.00 0.17 0.11 0.00 -0.16 0.00 0.00 57.90 58.03 2g46 n TYR 105 Cb 0.00 0.34 -0.05 0.00 -0.31 0.00 0.00 39.34 39.32 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 2.19 -2.84 2.61 2.72 0.00 -1.20 -4.94 105.19 103.73 2g46 n GLY 106 Ca 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.54 -3.45 0.00 1.61 2.03 -1.26 -3.93 116.55 108.01 2g46 n ASP 107 Ca -0.05 1.36 0.00 0.00 0.52 0.00 0.00 54.79 56.62 2g46 n ASP 107 Cb 0.43 -4.30 0.00 0.00 -0.72 0.00 0.00 41.12 36.54 2g46 n ASP 107 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2g46 n ASP 108 N 1.93 0.00 -4.33 1.67 9.92 -1.26 -4.80 116.55 119.68 2g46 n ASP 108 Ca -0.24 0.00 -0.54 0.00 -0.53 0.00 0.00 54.79 53.48 2g46 n ASP 108 Cb 0.37 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.73 2g46 n ASP 108 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2g46 n TYR 109 N 0.00 1.11 -1.53 1.24 4.02 -1.25 -4.62 117.16 116.13 2g46 n TYR 109 Ca 0.00 0.61 0.00 0.00 -0.01 0.00 0.00 57.90 58.50 2g46 n TYR 109 Cb 0.00 -2.35 0.00 0.00 -0.02 0.00 0.00 39.34 36.97 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 8.63 -0.06 -1.54 -0.72 -0.00 -1.26 -3.89 117.44 118.61 2g46 n TRP 110 Ca 0.55 0.00 -0.47 0.00 -0.00 0.00 0.00 57.50 57.58 2g46 n TRP 110 Cb 0.03 0.04 -0.03 0.00 -0.00 0.00 0.00 31.31 31.35 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 0.91 -0.01 5.87 0.00 -1.26 -4.83 117.00 117.69 2g46 n LEU 111 Ca 0.00 1.16 0.02 0.00 0.00 0.00 0.00 56.01 57.19 2g46 n LEU 111 Cb 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 43.42 42.20 2g46 n LEU 111 CO 0.00 -1.79 -0.58 -1.20 0.00 0.00 0.00 177.39 173.82 2g46 n SER 112 N 1.61 3.78 -3.84 1.96 7.64 -1.26 -3.26 113.62 120.24 2g46 n SER 112 Ca 0.13 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.77 2g46 n SER 112 Cb 0.28 1.15 0.16 0.00 -1.01 0.00 0.00 64.21 64.79 2g46 n SER 112 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2g46 n ARG 113 N -1.77 -2.13 0.00 1.43 1.74 -1.26 -4.38 116.66 110.29 2g46 n ARG 113 Ca -0.02 -0.62 0.00 0.00 -0.77 0.00 0.00 57.85 56.44 2g46 n ARG 113 Cb 0.22 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 2g46 n ARG 113 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2g46 n PRO 114 N -1.99 0.73 -1.85 5.56 -0.04 -1.26 -4.89 135.00 131.26 2g46 n PRO 114 Ca 0.04 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.19 2g46 n PRO 114 Cb 0.48 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.98 2g46 n PRO 114 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2g46 n ARG 115 N -0.38 3.11 -2.89 0.54 3.00 -1.26 -4.99 116.66 113.79 2g46 n ARG 115 Ca 0.00 -3.81 -0.02 0.00 -0.01 0.00 0.00 57.85 54.01 2g46 n ARG 115 Cb 0.00 -2.28 -0.01 0.00 0.00 0.00 0.00 32.46 30.17 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 -0.71 -5.59 -4.69 0.55 7.99 -1.26 -4.68 117.00 108.61 2g46 n LEU 116 Ca 0.51 1.32 -0.39 0.00 -0.01 0.00 0.00 56.01 57.44 2g46 n LEU 116 Cb 0.67 -2.44 -0.06 0.00 -0.11 0.00 0.00 43.42 41.48 2g46 n LEU 116 CO 0.54 -2.94 0.22 -0.89 -1.51 0.00 0.00 177.39 172.82 2g46 s THR 117 N -0.79 5.13 -0.68 -5.08 2.01 -1.26 -4.46 115.64 110.51 2g46 s THR 117 Ca -0.08 0.98 -0.06 0.00 0.31 0.00 0.00 61.69 62.84 2g46 s THR 117 Cb 0.01 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.68 2g46 s THR 117 CO 0.40 0.24 0.65 0.00 -0.69 0.00 0.00 174.62 175.22 2g46 n GLN 118 N 4.32 -1.62 0.00 4.92 6.02 -1.26 -5.25 117.38 124.52 2g46 n GLN 118 Ca -0.05 1.41 0.16 0.00 -0.01 0.00 0.00 57.00 58.50 2g46 n GLN 118 Cb 0.51 -4.51 0.94 0.00 1.02 0.00 0.00 30.24 28.20 2g46 n GLN 118 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34