#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 2.14 0.14 2.03 -0.71 -1.26 -1.77 117.98 118.55 2g46 s PHE 2 Ca 0.00 -1.59 0.09 0.00 -1.04 0.00 0.00 56.93 54.40 2g46 s PHE 2 Cb 0.00 -1.48 -0.04 0.00 -1.21 0.00 0.00 43.02 40.29 2g46 s PHE 2 CO 0.00 -0.74 -0.18 1.21 -1.34 0.00 0.00 175.22 174.16 2g46 s ASN 3 N 1.48 3.82 0.57 1.98 3.84 0.60 -4.97 114.94 122.26 2g46 s ASN 3 Ca -0.05 -0.62 0.33 0.00 0.21 0.00 0.00 52.86 52.73 2g46 s ASN 3 Cb -0.18 -0.50 1.45 0.00 -0.55 0.00 0.00 41.25 41.46 2g46 s ASN 3 CO -0.06 0.16 1.77 -2.24 -2.79 0.00 0.00 177.10 173.93 2g46 h ASP 4 N 3.55 0.00 0.00 -4.21 3.04 -2.02 0.49 116.42 117.28 2g46 h ASP 4 Ca -0.49 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.22 2g46 h ASP 4 Cb 1.18 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.48 2g46 h ASP 4 CO 0.47 0.00 -0.31 0.03 -2.04 0.00 0.00 179.24 177.39 2g46 h ARG 5 N 0.00 0.20 -3.10 4.15 3.08 -1.97 -3.41 114.38 113.33 2g46 h ARG 5 Ca 0.44 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 2g46 h ARG 5 Cb 2.00 0.06 -0.15 0.00 0.08 0.00 0.00 29.97 31.96 2g46 h ARG 5 CO -0.00 0.96 -0.08 0.14 -1.07 0.00 0.00 179.97 179.92 2g46 s VAL 6 N -3.07 0.06 0.14 2.04 -7.23 0.16 -3.59 120.40 108.90 2g46 s VAL 6 Ca -0.16 -0.46 0.06 0.00 -1.81 0.00 0.00 61.98 59.61 2g46 s VAL 6 Cb 0.01 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 2g46 s VAL 6 CO 0.75 -0.26 -0.14 -0.51 -0.31 0.00 0.00 175.10 174.64 2g46 s ILE 7 N -2.85 1.42 -0.15 -0.62 2.07 -0.51 -0.29 121.20 120.26 2g46 s ILE 7 Ca -0.03 -1.81 -0.11 0.00 -1.41 0.00 0.00 60.65 57.28 2g46 s ILE 7 Cb -0.00 -1.64 -0.05 0.00 0.13 0.00 0.00 42.46 40.90 2g46 s ILE 7 CO -0.05 -0.44 0.22 0.54 -1.91 0.00 0.00 174.94 173.30 2g46 s VAL 8 N -2.29 5.35 0.01 4.00 0.11 -0.73 -1.29 120.40 125.56 2g46 s VAL 8 Ca 0.12 0.39 0.04 0.00 -2.93 0.00 0.00 61.98 59.60 2g46 s VAL 8 Cb -0.04 -3.54 -0.01 0.00 -1.53 0.00 0.00 36.38 31.26 2g46 s VAL 8 CO 0.04 0.48 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.62 2g46 s LYS 9 N -0.08 0.92 -1.04 1.54 1.02 -0.85 -4.83 119.74 116.43 2g46 s LYS 9 Ca 0.14 -0.57 -0.13 0.00 0.02 0.00 0.00 55.97 55.43 2g46 s LYS 9 Cb -0.13 -0.90 -0.02 0.00 -0.52 0.00 0.00 37.83 36.27 2g46 s LYS 9 CO 0.03 0.23 0.80 1.63 -0.92 0.00 0.00 175.35 177.12 2g46 n LYS 10 N 2.38 -1.48 -3.52 1.68 5.02 -1.25 -0.26 118.16 120.74 2g46 n LYS 10 Ca -0.16 0.72 -0.21 0.00 -2.02 0.00 0.00 58.31 56.64 2g46 n LYS 10 Cb 0.55 -4.58 -0.02 0.00 -0.02 0.00 0.00 35.03 30.97 2g46 n LYS 10 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2g46 n SER 11 N -2.66 2.61 0.28 4.39 3.41 -1.26 -5.05 113.62 115.33 2g46 n SER 11 Ca -0.09 -2.47 -0.11 0.00 -0.26 0.00 0.00 58.87 55.94 2g46 n SER 11 Cb 0.59 0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 64.59 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 -0.69 0.00 4.33 0.11 -2.00 -3.41 132.00 130.35 2g46 h PRO 12 Ca -0.27 0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 2g46 h PRO 12 Cb 0.91 0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2g46 h PRO 12 CO 0.44 -0.46 -1.06 -0.11 -0.21 0.00 0.00 178.00 176.61 2g46 n LEU 13 N -4.27 0.00 -4.53 2.35 0.00 -1.26 -5.04 117.00 104.25 2g46 n LEU 13 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.63 2g46 n LEU 13 Cb 0.28 0.01 0.23 0.00 0.00 0.00 0.00 43.42 43.94 2g46 n LEU 13 CO 0.21 0.01 0.55 -0.83 0.00 0.00 0.00 177.39 177.33 2g46 s GLY 14 N -2.44 1.53 0.00 -3.96 0.00 -1.26 -5.05 107.32 96.15 2g46 s GLY 14 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.28 2g46 s GLY 14 CO 0.05 0.32 0.00 0.61 0.00 0.00 0.00 173.10 174.08 2g46 n GLY 15 N 0.03 0.87 3.58 0.20 0.00 -1.26 -4.34 105.19 104.27 2g46 n GLY 15 Ca 0.06 -1.87 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 2g46 n GLY 15 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2g46 s TYR 16 N 1.22 2.30 0.00 1.61 1.51 -1.26 -3.76 117.35 118.97 2g46 s TYR 16 Ca 0.00 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 2g46 s TYR 16 Cb 0.00 -4.35 0.00 0.00 -0.11 0.00 0.00 41.96 37.50 2g46 s TYR 16 CO 0.00 -1.54 0.00 0.41 -1.11 0.00 0.00 175.55 173.31 2g46 n GLY 17 N 5.83 4.52 3.61 0.71 0.00 0.64 -4.36 105.19 116.14 2g46 n GLY 17 Ca 0.45 -2.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.88 3.67 -0.20 1.61 1.01 -1.14 -2.01 120.40 122.46 2g46 s VAL 18 Ca 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2g46 s VAL 18 Cb 0.00 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 2g46 s VAL 18 CO 0.00 0.28 -0.04 -0.36 0.00 0.00 0.00 175.10 174.98 2g46 s PHE 19 N -1.11 2.96 -0.85 5.22 0.40 -0.41 0.29 117.98 124.48 2g46 s PHE 19 Ca 0.20 -0.78 -0.18 0.00 -0.60 0.00 0.00 56.93 55.57 2g46 s PHE 19 Cb -0.11 -2.07 0.14 0.00 0.51 0.00 0.00 43.02 41.49 2g46 s PHE 19 CO 0.11 -0.43 0.98 0.00 0.70 0.00 0.00 175.22 176.59 2g46 s ALA 20 N 1.22 3.51 0.65 5.36 0.00 0.50 -1.42 121.76 131.57 2g46 s ALA 20 Ca 0.03 -2.75 0.40 0.00 0.00 0.00 0.00 51.96 49.64 2g46 s ALA 20 Cb -0.14 -3.85 2.26 0.00 0.00 0.00 0.00 23.12 21.38 2g46 s ALA 20 CO -0.01 -2.74 2.34 -0.09 0.00 0.00 0.00 175.76 175.27 2g46 h ARG 21 N 8.70 0.00 0.00 0.00 9.65 -1.80 -2.61 114.38 128.32 2g46 h ARG 21 Ca 0.06 0.00 -0.44 0.00 -1.10 0.00 0.00 59.98 58.50 2g46 h ARG 21 Cb 1.04 0.00 0.09 0.00 -1.39 0.00 0.00 29.97 29.71 2g46 h ARG 21 CO 1.03 0.00 0.15 1.63 2.80 0.00 0.00 179.97 185.59 2g46 n LYS 22 N -3.32 -0.25 0.00 0.20 5.02 -1.24 -3.45 118.16 115.13 2g46 n LYS 22 Ca -0.03 -2.51 0.00 0.00 -2.02 0.00 0.00 58.31 53.75 2g46 n LYS 22 Cb 0.07 -0.73 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 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 -3.04 0.00 -4.67 4.39 2.88 0.12 -2.27 113.62 111.03 2g46 n SER 23 Ca 0.16 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.39 2g46 n SER 23 Cb 0.56 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.94 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 2.97 0.00 0.66 0.08 -0.95 -4.95 117.98 113.80 2g46 s PHE 24 Ca 0.00 -0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.03 2g46 s PHE 24 Cb 0.00 -1.56 0.00 0.00 -0.57 0.00 0.00 43.02 40.89 2g46 s PHE 24 CO 0.00 0.46 0.00 0.39 -0.10 0.00 0.00 175.22 175.97 2g46 n GLU 25 N 0.80 1.92 -2.68 0.44 4.71 -1.26 -1.07 120.64 123.50 2g46 n GLU 25 Ca -0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.60 2g46 n GLU 25 Cb 0.52 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.96 2g46 n GLU 25 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2g46 n LYS 26 N -0.13 4.09 0.00 3.49 4.81 -1.26 -2.80 118.16 126.36 2g46 n LYS 26 Ca 0.00 -4.07 0.00 0.00 -0.87 0.00 0.00 58.31 53.37 2g46 n LYS 26 Cb 0.00 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.35 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 1.99 -0.26 2.74 3.14 0.00 -1.12 -4.92 105.19 106.77 2g46 n GLY 27 Ca 0.32 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 46.04 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 0.28 -0.15 1.61 2.02 -1.26 -4.95 118.70 116.25 2g46 s GLU 28 Ca 0.00 0.20 -0.29 0.00 0.02 0.00 0.00 54.97 54.90 2g46 s GLU 28 Cb 0.00 -0.69 -0.05 0.00 0.10 0.00 0.00 34.13 33.49 2g46 s GLU 28 CO 0.00 -0.27 1.80 -1.17 0.02 0.00 0.00 175.26 175.63 2g46 s LEU 29 N 1.83 3.97 -1.18 1.80 1.98 -1.26 -3.37 118.68 122.45 2g46 s LEU 29 Ca 0.02 1.95 -0.09 0.00 -2.89 0.00 0.00 54.13 53.12 2g46 s LEU 29 Cb -0.12 -3.53 0.23 0.00 0.66 0.00 0.00 46.19 43.43 2g46 s LEU 29 CO -0.04 -1.30 1.50 0.52 -1.89 0.00 0.00 176.35 175.15 2g46 n VAL 30 N 6.36 4.62 -1.53 1.68 0.31 0.44 -4.95 118.33 125.27 2g46 n VAL 30 Ca 0.21 -5.08 0.07 0.00 -0.01 0.00 0.00 64.34 59.53 2g46 n VAL 30 Cb 0.44 -2.37 -0.04 0.00 -0.91 0.00 0.00 33.84 30.96 2g46 n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2g46 n GLU 31 N 3.43 -3.74 -3.56 5.55 2.13 -1.26 -4.42 120.64 118.76 2g46 n GLU 31 Ca 0.32 2.97 -0.11 0.00 0.66 0.00 0.00 57.16 61.00 2g46 n GLU 31 Cb 0.38 -3.92 -0.03 0.00 0.27 0.00 0.00 31.44 28.13 2g46 n GLU 31 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2g46 s GLU 32 N -4.99 1.25 0.03 5.31 -1.05 -1.26 -2.82 118.70 115.16 2g46 s GLU 32 Ca 0.00 -0.63 -0.00 0.00 -0.15 0.00 0.00 54.97 54.18 2g46 s GLU 32 Cb 0.00 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 34.23 2g46 s GLU 32 CO 0.00 -0.53 0.04 0.00 0.95 0.00 0.00 175.26 175.72 2g46 n LEU 34 N 0.00 0.00 -3.87 0.00 4.77 -1.26 -0.42 117.00 116.22 2g46 n LEU 34 Ca -0.00 -0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.84 2g46 n LEU 34 Cb 0.04 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 2g46 n LEU 34 CO 0.02 -0.51 -0.08 0.00 -1.33 0.00 0.00 177.39 175.49 2g46 s ILE 36 N -3.88 4.96 -0.10 0.00 1.01 -1.04 -4.65 121.20 117.50 2g46 s ILE 36 Ca 0.07 -0.88 -0.21 0.00 0.00 0.00 0.00 60.65 59.63 2g46 s ILE 36 Cb 0.05 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 2g46 s ILE 36 CO -0.09 -0.88 0.62 -0.69 0.00 0.00 0.00 174.94 173.89 2g46 s VAL 37 N 2.36 5.09 0.01 2.92 1.01 -1.26 -0.56 120.40 129.97 2g46 s VAL 37 Ca 0.11 1.25 -0.09 0.00 0.00 0.00 0.00 61.98 63.25 2g46 s VAL 37 Cb -0.23 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2g46 s VAL 37 CO 0.08 0.26 0.17 -0.13 0.00 0.00 0.00 175.10 175.48 2g46 s ARG 38 N 0.87 0.57 1.28 2.72 1.81 -0.62 -5.00 118.95 120.59 2g46 s ARG 38 Ca 0.33 -0.47 -0.21 0.00 -1.72 0.00 0.00 55.73 53.66 2g46 s ARG 38 Cb -0.17 0.24 0.33 0.00 -0.45 0.00 0.00 34.95 34.90 2g46 s ARG 38 CO 0.15 -0.15 0.87 0.72 -0.68 0.00 0.00 175.30 176.20 2g46 n HIS 39 N 1.16 -3.72 -3.03 -0.53 8.25 -1.26 -2.46 115.22 113.63 2g46 n HIS 39 Ca -0.21 -0.81 -0.42 0.00 -0.26 0.00 0.00 57.72 56.02 2g46 n HIS 39 Cb 0.57 -1.12 -0.06 0.00 1.12 0.00 0.00 29.99 30.50 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 -3.42 6.44 0.00 0.41 2.47 -1.26 -4.57 114.94 115.00 2g46 s ASN 40 Ca 0.63 0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.95 2g46 s ASN 40 Cb -0.09 -2.36 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 2g46 s ASN 40 CO 0.51 -0.76 0.00 -0.67 -3.72 0.00 0.00 177.10 172.46 2g46 n ASP 41 N 6.39 0.74 0.06 -4.21 -0.08 -1.26 -4.94 116.55 113.24 2g46 n ASP 41 Ca 0.01 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.50 2g46 n ASP 41 Cb 0.48 0.00 0.70 0.00 2.34 0.00 0.00 41.12 44.64 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 0.00 0.00 0.35 1.67 3.32 -1.99 -1.83 116.42 117.94 2g46 h ASP 42 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2g46 h ASP 42 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2g46 h ASP 42 CO 0.00 0.00 -0.28 -0.25 -1.72 0.00 0.00 179.24 176.99 2g46 h TRP 43 N 0.00 -0.77 -0.23 4.55 2.91 -1.92 0.19 115.95 120.67 2g46 h TRP 43 Ca 0.23 0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.32 2g46 h TRP 43 Cb 1.36 0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 30.29 2g46 h TRP 43 CO 0.00 -0.39 0.19 0.78 -1.03 0.00 0.00 178.44 177.98 2g46 h GLY 44 N -0.61 0.00 0.11 2.65 0.00 -1.59 0.56 103.07 104.19 2g46 h GLY 44 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2g46 h GLY 44 CO 0.00 0.00 -0.05 -0.84 0.00 0.00 0.00 176.54 175.65 2g46 h THR 45 N 0.00 0.00 -0.37 4.70 2.02 -1.06 -2.37 112.91 115.83 2g46 h THR 45 Ca 0.11 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.20 2g46 h THR 45 Cb 0.49 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 2g46 h THR 45 CO -0.00 0.00 0.18 0.00 0.37 0.00 0.00 175.52 176.07 2g46 h ALA 46 N -1.81 0.45 -0.52 6.16 0.00 -0.56 -2.32 119.26 120.66 2g46 h ALA 46 Ca -0.01 0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 2g46 h ALA 46 Cb 0.11 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 17.70 2g46 h ALA 46 CO 0.02 -0.19 0.45 1.28 0.00 0.00 0.00 179.25 180.81 2g46 n LEU 47 N -4.94 6.56 -3.34 0.00 7.99 0.18 -4.75 117.00 118.71 2g46 n LEU 47 Ca 0.01 -3.45 -0.39 0.00 -0.01 0.00 0.00 56.01 52.17 2g46 n LEU 47 Cb 0.09 -1.07 -0.03 0.00 -0.11 0.00 0.00 43.42 42.30 2g46 n LEU 47 CO 0.30 1.30 3.33 -1.84 -1.51 0.00 0.00 177.39 178.97 2g46 n GLU 48 N 0.32 3.74 0.00 3.23 -0.00 -0.87 -4.28 120.64 122.77 2g46 n GLU 48 Ca 0.34 -2.30 0.00 0.00 -0.00 0.00 0.00 57.16 55.20 2g46 n GLU 48 Cb 0.58 -2.80 0.00 0.00 -0.00 0.00 0.00 31.44 29.22 2g46 n GLU 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2g46 n ASP 49 N 3.54 0.00 -2.97 -1.84 9.92 -1.26 -4.94 116.55 118.99 2g46 n ASP 49 Ca 0.77 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 54.66 2g46 n ASP 49 Cb 0.24 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.73 2g46 n ASP 49 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2g46 n TYR 50 N -0.89 2.57 -4.63 1.24 4.01 -1.26 -4.95 117.16 113.25 2g46 n TYR 50 Ca 0.00 -2.30 -0.33 0.00 -0.16 0.00 0.00 57.90 55.11 2g46 n TYR 50 Cb 0.00 -1.29 -0.13 0.00 -0.31 0.00 0.00 39.34 37.61 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 -3.51 2.96 0.00 7.72 2.96 -1.26 -2.60 118.68 124.95 2g46 s LEU 51 Ca 0.52 -0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 54.21 2g46 s LEU 51 Cb 0.37 -1.68 0.12 0.00 0.50 0.00 0.00 46.19 45.50 2g46 s LEU 51 CO -0.30 0.20 0.86 0.49 -1.32 0.00 0.00 176.35 176.27 2g46 n PHE 52 N 3.34 -3.01 -3.69 5.38 3.72 0.11 -4.89 117.46 118.42 2g46 n PHE 52 Ca -0.18 -1.50 -0.15 0.00 -0.05 0.00 0.00 57.45 55.57 2g46 n PHE 52 Cb 0.53 -0.62 -0.15 0.00 -0.94 0.00 0.00 39.48 38.29 2g46 n PHE 52 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2g46 s SER 53 N -4.48 0.40 0.47 4.37 1.04 -1.26 -2.51 113.70 111.72 2g46 s SER 53 Ca 0.57 0.38 0.06 0.00 0.48 0.00 0.00 55.95 57.44 2g46 s SER 53 Cb -0.03 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 2g46 s SER 53 CO 0.38 -0.21 0.31 -0.60 0.98 0.00 0.00 173.24 174.09 2g46 s ARG 54 N 1.96 2.31 -1.40 4.02 3.00 0.70 -4.99 118.95 124.55 2g46 s ARG 54 Ca -0.01 -1.85 -0.13 0.00 -1.00 0.00 0.00 55.73 52.74 2g46 s ARG 54 Cb -0.12 -2.11 0.08 0.00 0.00 0.00 0.00 34.95 32.80 2g46 s ARG 54 CO -0.06 -0.33 2.09 1.63 0.00 0.00 0.00 175.30 178.63 2g46 n LYS 55 N -1.51 3.08 0.00 5.12 5.02 -1.26 -2.66 118.16 125.96 2g46 n LYS 55 Ca -0.01 -2.91 0.00 0.00 -2.02 0.00 0.00 58.31 53.37 2g46 n LYS 55 Cb 0.64 -3.20 0.00 0.00 -0.02 0.00 0.00 35.03 32.45 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 5.63 0.00 -0.79 4.39 5.15 -1.26 -5.14 115.26 123.25 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 0.39 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.64 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 -4.56 1.20 0.00 -1.09 -4.84 117.12 107.83 2g46 n MET 57 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 57.70 57.44 2g46 n MET 57 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.11 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 -0.36 3.66 0.01 3.17 1.04 -1.03 -0.22 113.70 119.97 2g46 s SER 58 Ca 0.00 -1.26 -0.15 0.00 0.48 0.00 0.00 55.95 55.02 2g46 s SER 58 Cb 0.00 -0.34 0.02 0.00 0.10 0.00 0.00 66.02 65.80 2g46 s SER 58 CO 0.00 -0.31 0.32 0.00 0.98 0.00 0.00 173.24 174.23 2g46 s ALA 59 N -2.70 -0.78 0.33 5.32 0.00 -1.04 -1.59 121.76 121.30 2g46 s ALA 59 Ca 0.33 0.25 -0.08 0.00 0.00 0.00 0.00 51.96 52.46 2g46 s ALA 59 Cb 0.05 0.16 -0.06 0.00 0.00 0.00 0.00 23.12 23.28 2g46 s ALA 59 CO 0.17 -0.32 0.65 1.41 0.00 0.00 0.00 175.76 177.66 2g46 s MET 60 N -1.75 3.71 -0.90 0.00 1.75 0.28 0.08 119.30 122.47 2g46 s MET 60 Ca -0.11 0.23 -0.20 0.00 -1.25 0.00 0.00 55.69 54.36 2g46 s MET 60 Cb -0.04 -2.54 0.11 0.00 2.84 0.00 0.00 34.83 35.20 2g46 s MET 60 CO 0.02 0.12 1.16 0.00 -0.65 0.00 0.00 175.02 175.66 2g46 s ALA 61 N -2.18 3.21 0.20 4.11 0.00 -1.07 -2.51 121.76 123.52 2g46 s ALA 61 Ca 0.47 -2.53 -0.10 0.00 0.00 0.00 0.00 51.96 49.80 2g46 s ALA 61 Cb -0.11 -4.10 0.23 0.00 0.00 0.00 0.00 23.12 19.14 2g46 s ALA 61 CO 0.30 -3.06 1.77 1.37 0.00 0.00 0.00 175.76 176.13 2g46 h LEU 62 N 10.99 0.35 0.00 0.00 8.10 -1.60 -3.37 115.31 129.77 2g46 h LEU 62 Ca 0.09 0.05 0.00 0.00 0.11 0.00 0.00 57.88 58.13 2g46 h LEU 62 Cb 1.03 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 41.24 2g46 h LEU 62 CO 1.18 0.22 0.00 0.61 -4.11 0.00 0.00 178.44 176.34 2g46 n GLY 63 N -1.28 -2.77 0.79 0.17 0.00 -1.23 -4.78 105.19 96.09 2g46 n GLY 63 Ca 0.07 -0.94 0.06 0.00 0.00 0.00 0.00 46.02 45.22 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 0.59 -0.36 1.61 3.72 -1.26 -4.38 117.46 117.39 2g46 n PHE 64 Ca 0.00 -0.28 0.36 0.00 -0.05 0.00 0.00 57.45 57.48 2g46 n PHE 64 Cb 0.00 -0.04 0.73 0.00 -0.94 0.00 0.00 39.48 39.24 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 5.07 0.15 0.00 1.37 0.00 -1.87 0.41 103.07 108.21 2g46 h GLY 65 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2g46 h GLY 65 CO 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2g46 n ALA 66 N -2.75 -0.16 0.30 3.60 0.00 -1.26 -3.27 120.51 116.97 2g46 n ALA 66 Ca 0.27 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.88 2g46 n ALA 66 Cb 1.28 0.00 0.91 0.00 0.00 0.00 0.00 19.45 21.64 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 0.00 0.00 -2.16 0.00 -0.00 -1.73 -3.42 117.51 110.19 2g46 h ILE 67 Ca 0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 64.86 64.24 2g46 h ILE 67 Cb 0.00 0.74 0.07 0.00 -0.00 0.00 0.00 36.82 37.63 2g46 h ILE 67 CO 0.00 0.00 0.54 0.33 -0.00 0.00 0.00 178.15 179.02 2g46 n PHE 68 N -2.80 1.82 -3.81 0.16 7.35 0.14 -3.60 117.46 116.74 2g46 n PHE 68 Ca -0.02 0.50 -0.25 0.00 -0.76 0.00 0.00 57.45 56.92 2g46 n PHE 68 Cb 0.20 -2.41 -0.01 0.00 0.35 0.00 0.00 39.48 37.62 2g46 n PHE 68 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2g46 s ASN 69 N 0.41 4.70 0.20 -2.13 -0.87 -1.26 -4.87 114.94 111.12 2g46 s ASN 69 Ca 0.76 -1.16 0.05 0.00 -1.57 0.00 0.00 52.86 50.94 2g46 s ASN 69 Cb -0.78 0.26 -0.03 0.00 -0.02 0.00 0.00 41.25 40.68 2g46 s ASN 69 CO 0.47 -1.05 0.24 -2.28 -2.57 0.00 0.00 177.10 171.91 2g46 s HIS 70 N -2.73 3.29 -0.12 2.20 5.65 -1.25 0.74 115.29 123.07 2g46 s HIS 70 Ca 0.38 -0.01 -0.13 0.00 0.25 0.00 0.00 55.06 55.55 2g46 s HIS 70 Cb -0.02 -1.53 0.03 0.00 -1.18 0.00 0.00 32.58 29.88 2g46 s HIS 70 CO 0.23 0.50 0.36 0.45 -0.65 0.00 0.00 174.74 175.63 2g46 s SER 71 N -3.55 -0.36 0.53 9.88 0.15 -1.26 -4.83 113.70 114.27 2g46 s SER 71 Ca 0.33 0.67 0.26 0.00 0.70 0.00 0.00 55.95 57.90 2g46 s SER 71 Cb -0.09 0.69 1.41 0.00 -1.71 0.00 0.00 66.02 66.32 2g46 s SER 71 CO 0.26 -0.16 1.99 0.50 1.20 0.00 0.00 173.24 177.04 2g46 h LYS 72 N 5.41 0.00 -4.12 5.44 1.63 -2.00 -3.28 116.57 119.66 2g46 h LYS 72 Ca -0.27 0.00 -0.69 0.00 -0.85 0.00 0.00 60.65 58.84 2g46 h LYS 72 Cb 1.18 0.00 -0.36 0.00 -0.60 0.00 0.00 32.23 32.46 2g46 h LYS 72 CO 0.29 0.00 -0.50 -0.51 -3.45 0.00 0.00 179.45 175.28 2g46 s ASP 73 N -6.14 5.15 -0.13 4.20 1.01 -1.26 -5.06 116.67 114.45 2g46 s ASP 73 Ca -0.05 -2.39 -0.35 0.00 0.71 0.00 0.00 52.55 50.47 2g46 s ASP 73 Cb 0.20 -1.81 -0.12 0.00 1.01 0.00 0.00 42.92 42.19 2g46 s ASP 73 CO 0.72 -0.45 1.88 -2.65 0.21 0.00 0.00 175.17 174.88 2g46 n PRO 74 N 4.09 2.00 -0.01 8.23 -0.02 -1.24 -4.83 135.00 143.22 2g46 n PRO 74 Ca 0.02 0.73 0.03 0.00 -2.02 0.00 0.00 63.50 62.27 2g46 n PRO 74 Cb 0.40 -2.57 -0.08 0.00 -0.02 0.00 0.00 33.50 31.23 2g46 n PRO 74 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2g46 n ASN 75 N 6.61 2.64 -3.83 2.55 0.23 -1.26 -4.78 115.26 117.42 2g46 n ASN 75 Ca 0.24 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 54.17 2g46 n ASN 75 Cb 0.27 1.34 -0.09 0.00 -2.08 0.00 0.00 39.78 39.22 2g46 n ASN 75 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2g46 s ALA 76 N -2.63 -0.48 0.15 -2.53 0.00 -1.23 -3.29 121.76 111.75 2g46 s ALA 76 Ca -0.04 0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.95 2g46 s ALA 76 Cb 0.06 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.27 2g46 s ALA 76 CO 0.42 -0.23 0.04 0.54 0.00 0.00 0.00 175.76 176.54 2g46 n ARG 77 N 1.39 0.98 -4.52 0.00 1.74 -0.85 -4.27 116.66 111.14 2g46 n ARG 77 Ca -0.22 -1.25 -0.25 0.00 -0.77 0.00 0.00 57.85 55.36 2g46 n ARG 77 Cb 0.56 0.60 -0.09 0.00 -1.02 0.00 0.00 32.46 32.51 2g46 n ARG 77 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2g46 s HIS 78 N -1.98 1.83 0.05 -1.55 -3.43 -1.26 -1.11 115.29 107.84 2g46 s HIS 78 Ca 0.06 -1.18 0.01 0.00 -0.80 0.00 0.00 55.06 53.15 2g46 s HIS 78 Cb 0.00 -1.22 -0.03 0.00 -1.43 0.00 0.00 32.58 29.90 2g46 s HIS 78 CO 0.04 -0.18 -0.06 -2.00 -2.00 0.00 0.00 174.74 170.54 2g46 s GLU 79 N -3.77 0.53 -0.05 -0.38 2.12 -0.25 -4.84 118.70 112.07 2g46 s GLU 79 Ca 0.26 -0.89 0.05 0.00 0.36 0.00 0.00 54.97 54.75 2g46 s GLU 79 Cb 0.04 -0.09 -0.01 0.00 0.26 0.00 0.00 34.13 34.33 2g46 s GLU 79 CO 0.14 -0.01 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.13 2g46 s LEU 80 N -2.01 1.97 0.00 2.70 1.43 -1.26 -2.33 118.68 119.19 2g46 s LEU 80 Ca -0.05 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2g46 s LEU 80 Cb -0.05 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.06 2g46 s LEU 80 CO -0.02 0.19 0.00 0.35 0.23 0.00 0.00 176.35 177.09 2g46 n THR 81 N 3.05 0.00 -1.55 5.49 -2.24 -0.75 -4.77 114.28 113.51 2g46 n THR 81 Ca -0.18 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 2g46 n THR 81 Cb 0.53 -1.99 -0.09 0.00 -2.10 0.00 0.00 70.33 66.67 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 -3.00 0.37 -1.02 6.98 0.00 -1.26 -2.36 120.51 120.22 2g46 n ALA 82 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 53.44 51.94 2g46 n ALA 82 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 19.45 16.27 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 6.56 0.84 7.00 0.00 0.00 -1.26 -4.79 105.19 113.54 2g46 n GLY 83 Ca 0.47 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.91 0.00 0.00 0.99 4.77 -0.99 -4.79 117.00 116.06 2g46 n LEU 84 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2g46 n LEU 84 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2g46 n LEU 84 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.35 2g46 n LYS 85 N 2.24 0.00 -3.73 3.23 5.02 -1.26 -2.47 118.16 121.19 2g46 n LYS 85 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 2g46 n LYS 85 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 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 0.00 3.64 0.03 1.97 3.52 -1.26 0.16 118.95 127.00 2g46 s ARG 86 Ca 0.00 0.08 0.05 0.00 -0.13 0.00 0.00 55.73 55.73 2g46 s ARG 86 Cb 0.00 -3.21 -0.02 0.00 -1.56 0.00 0.00 34.95 30.16 2g46 s ARG 86 CO 0.00 0.74 -0.14 -1.64 -0.81 0.00 0.00 175.30 173.44 2g46 s MET 87 N -1.02 0.99 0.26 5.12 -1.94 0.44 -1.81 119.30 121.34 2g46 s MET 87 Ca 0.18 -0.71 0.08 0.00 -1.71 0.00 0.00 55.69 53.53 2g46 s MET 87 Cb -0.14 -1.00 -0.05 0.00 2.01 0.00 0.00 34.83 35.65 2g46 s MET 87 CO 0.08 0.25 -0.10 1.03 -0.01 0.00 0.00 175.02 176.27 2g46 s ARG 88 N -0.97 1.52 -0.34 2.03 0.52 -0.99 -1.67 118.95 119.07 2g46 s ARG 88 Ca 0.03 -1.74 0.03 0.00 -0.52 0.00 0.00 55.73 53.52 2g46 s ARG 88 Cb -0.07 -1.26 0.10 0.00 0.52 0.00 0.00 34.95 34.24 2g46 s ARG 88 CO 0.01 0.12 0.07 0.42 0.02 0.00 0.00 175.30 175.93 2g46 s ILE 89 N -2.91 1.94 0.28 1.52 1.01 -1.13 -1.09 121.20 120.82 2g46 s ILE 89 Ca 0.28 -2.14 0.02 0.00 0.00 0.00 0.00 60.65 58.81 2g46 s ILE 89 Cb 0.01 -2.44 0.05 0.00 0.01 0.00 0.00 42.46 40.10 2g46 s ILE 89 CO 0.11 -0.62 0.39 0.49 0.00 0.00 0.00 174.94 175.31 2g46 n PHE 90 N 4.37 -2.93 -3.83 3.97 3.72 -0.26 0.17 117.46 122.66 2g46 n PHE 90 Ca 0.03 -0.84 -0.30 0.00 -0.05 0.00 0.00 57.45 56.28 2g46 n PHE 90 Cb 0.42 -0.28 -0.15 0.00 -0.94 0.00 0.00 39.48 38.53 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 -0.87 1.43 0.60 4.37 -4.23 -1.22 -2.01 115.64 113.71 2g46 s THR 91 Ca 0.28 -1.86 0.29 0.00 -1.18 0.00 0.00 61.69 59.22 2g46 s THR 91 Cb -0.02 -2.06 0.36 0.00 1.34 0.00 0.00 72.50 72.12 2g46 s THR 91 CO 0.18 -0.67 2.05 0.16 -0.54 0.00 0.00 174.62 175.80 2g46 h ILE 92 N 6.40 0.39 -3.47 2.99 3.07 -1.87 -2.97 117.51 122.06 2g46 h ILE 92 Ca -0.09 0.00 -0.16 0.00 1.55 0.00 0.00 64.86 66.16 2g46 h ILE 92 Cb 1.01 0.78 -0.22 0.00 -0.27 0.00 0.00 36.82 38.11 2g46 h ILE 92 CO 0.49 0.00 -0.51 -1.59 -1.05 0.00 0.00 178.15 175.50 2g46 s LYS 93 N -4.57 0.39 0.07 0.16 -2.85 -1.21 -4.79 119.74 106.94 2g46 s LYS 93 Ca -0.04 -0.21 -0.33 0.00 -1.00 0.00 0.00 55.97 54.38 2g46 s LYS 93 Cb 0.15 0.16 -0.13 0.00 -2.06 0.00 0.00 37.83 35.96 2g46 s LYS 93 CO 0.52 -0.08 1.73 -2.30 0.10 0.00 0.00 175.35 175.31 2g46 n PRO 94 N 1.94 2.29 -3.73 1.78 -0.02 -1.12 -4.71 135.00 131.43 2g46 n PRO 94 Ca -0.20 0.83 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 2g46 n PRO 94 Cb 0.57 -2.65 -0.05 0.00 -0.02 0.00 0.00 33.50 31.34 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 2.28 5.26 0.38 4.25 1.01 -0.23 -4.92 121.20 129.24 2g46 s ILE 95 Ca 0.84 0.23 -0.06 0.00 0.00 0.00 0.00 60.65 61.66 2g46 s ILE 95 Cb -0.64 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 2g46 s ILE 95 CO 0.42 0.36 0.67 0.00 0.00 0.00 0.00 174.94 176.39 2g46 s ALA 96 N -1.31 3.50 -0.21 9.38 0.00 -1.25 0.13 121.76 131.99 2g46 s ALA 96 Ca 0.28 -0.50 -0.29 0.00 0.00 0.00 0.00 51.96 51.46 2g46 s ALA 96 Cb -0.13 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 2g46 s ALA 96 CO 0.16 -0.02 1.79 0.42 0.00 0.00 0.00 175.76 178.11 2g46 s ILE 97 N -2.37 3.47 0.00 0.00 1.01 -0.96 -2.97 121.20 119.37 2g46 s ILE 97 Ca 0.46 0.52 0.00 0.00 0.00 0.00 0.00 60.65 61.63 2g46 s ILE 97 Cb -0.10 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.86 2g46 s ILE 97 CO 0.35 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.66 2g46 n GLY 98 N 4.98 1.93 0.12 6.18 0.00 -1.01 -4.94 105.19 112.45 2g46 n GLY 98 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.35 1.76 -4.65 1.61 -0.58 -1.06 -4.97 120.64 112.41 2g46 n GLU 99 Ca 0.00 -0.11 -0.24 0.00 -0.42 0.00 0.00 57.16 56.38 2g46 n GLU 99 Cb 0.00 0.02 -0.16 0.00 -0.57 0.00 0.00 31.44 30.73 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 -2.06 1.56 -0.07 3.49 2.12 -1.26 -0.37 118.70 122.10 2g46 s GLU 100 Ca 0.00 -0.47 -0.20 0.00 0.36 0.00 0.00 54.97 54.66 2g46 s GLU 100 Cb -0.00 -1.34 -0.04 0.00 0.26 0.00 0.00 34.13 33.00 2g46 s GLU 100 CO 0.00 0.14 0.58 0.42 -0.54 0.00 0.00 175.26 175.87 2g46 s ILE 101 N 0.28 5.07 0.21 -3.70 1.01 0.15 -4.74 121.20 119.47 2g46 s ILE 101 Ca -0.07 1.19 -0.21 0.00 0.00 0.00 0.00 60.65 61.56 2g46 s ILE 101 Cb -0.12 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.47 2g46 s ILE 101 CO 0.02 0.33 0.62 0.42 0.00 0.00 0.00 174.94 176.33 2g46 s THR 102 N 0.47 0.01 0.17 2.92 -4.23 -1.26 -2.90 115.64 110.81 2g46 s THR 102 Ca 0.31 -0.54 0.03 0.00 -1.18 0.00 0.00 61.69 60.32 2g46 s THR 102 Cb -0.17 -1.48 -0.05 0.00 1.34 0.00 0.00 72.50 72.14 2g46 s THR 102 CO 0.15 -0.03 -0.05 0.27 -0.54 0.00 0.00 174.62 174.42 2g46 s ILE 103 N -3.84 0.94 0.67 2.99 -4.36 0.23 -3.54 121.20 114.29 2g46 s ILE 103 Ca 0.06 -2.02 -0.01 0.00 -0.26 0.00 0.00 60.65 58.43 2g46 s ILE 103 Cb -0.03 -2.01 0.09 0.00 1.25 0.00 0.00 42.46 41.77 2g46 s ILE 103 CO -0.04 -0.60 0.93 -0.44 0.24 0.00 0.00 174.94 175.04 2g46 s SER 104 N -3.18 4.65 0.00 4.36 0.01 -1.26 -3.93 113.70 114.34 2g46 s SER 104 Ca 0.21 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.27 2g46 s SER 104 Cb 0.05 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.92 2g46 s SER 104 CO 0.02 -1.64 0.00 -1.22 0.41 0.00 0.00 173.24 170.82 2g46 n TYR 105 N -2.70 0.00 -4.63 2.43 4.01 -1.26 -5.07 117.16 109.93 2g46 n TYR 105 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 2g46 n TYR 105 Cb 0.60 0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.80 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 2.82 -0.47 5.17 2.72 0.00 -1.25 -4.77 105.19 109.41 2g46 n GLY 106 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2g46 n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2g46 n ASP 107 N -1.76 0.00 -0.13 1.61 9.92 -1.26 -1.58 116.55 123.35 2g46 n ASP 107 Ca 0.00 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.05 2g46 n ASP 107 Cb 0.00 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 2g46 n ASP 107 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2g46 n ASP 108 N 1.97 1.98 -4.77 -2.24 -0.08 -1.26 -4.95 116.55 107.19 2g46 n ASP 108 Ca 0.00 -0.02 -0.40 0.00 -1.51 0.00 0.00 54.79 52.86 2g46 n ASP 108 Cb 0.00 -0.51 0.01 0.00 2.34 0.00 0.00 41.12 42.96 2g46 n ASP 108 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 2g46 s TYR 109 N -2.52 2.59 -0.31 -0.67 2.02 -0.61 -4.93 117.35 112.92 2g46 s TYR 109 Ca -0.36 1.27 0.07 0.00 -0.37 0.00 0.00 57.07 57.68 2g46 s TYR 109 Cb 0.10 -3.89 0.46 0.00 -0.40 0.00 0.00 41.96 38.23 2g46 s TYR 109 CO 0.57 -2.74 1.28 -2.67 -1.57 0.00 0.00 175.55 170.42 2g46 n TRP 110 N 0.09 2.30 -1.57 2.71 4.27 -1.26 -3.92 117.44 120.06 2g46 n TRP 110 Ca 0.03 -2.15 -0.40 0.00 -3.89 0.00 0.00 57.50 51.09 2g46 n TRP 110 Cb 0.41 -0.43 0.02 0.00 -1.36 0.00 0.00 31.31 29.96 2g46 n TRP 110 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2g46 n LEU 111 N -0.81 2.18 -1.90 5.67 -0.00 -1.26 -4.52 117.00 116.36 2g46 n LEU 111 Ca 0.41 0.94 0.00 0.00 -0.00 0.00 0.00 56.01 57.37 2g46 n LEU 111 Cb 0.91 -1.30 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 2g46 n LEU 111 CO 0.36 -1.94 -0.48 -1.20 -0.00 0.00 0.00 177.39 174.13 2g46 n SER 112 N 0.41 -9.45 -0.05 1.96 7.64 -1.26 -4.69 113.62 108.19 2g46 n SER 112 Ca 0.11 1.36 -0.13 0.00 1.01 0.00 0.00 58.87 61.22 2g46 n SER 112 Cb 0.41 -5.09 -0.11 0.00 -1.01 0.00 0.00 64.21 58.42 2g46 n SER 112 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2g46 h ARG 113 N 3.22 -0.02 0.00 1.43 3.08 -2.05 -3.31 114.38 116.74 2g46 h ARG 113 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2g46 h ARG 113 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2g46 h ARG 113 CO 0.00 0.77 0.00 -0.35 -1.07 0.00 0.00 179.97 179.32 2g46 n PRO 114 N -4.70 0.17 0.00 0.04 -0.04 -1.26 -5.00 135.00 124.21 2g46 n PRO 114 Ca -0.09 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2g46 n PRO 114 Cb 0.38 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 -2.02 0.00 -2.81 0.54 5.12 -1.25 -3.88 116.66 112.36 2g46 n ARG 115 Ca 0.05 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.71 2g46 n ARG 115 Cb 0.36 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.63 2g46 n ARG 115 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2g46 n LEU 116 N 0.00 4.24 -3.94 0.55 4.77 -1.26 -5.01 117.00 116.34 2g46 n LEU 116 Ca 0.00 -5.45 -0.28 0.00 -0.03 0.00 0.00 56.01 50.25 2g46 n LEU 116 Cb 0.00 -0.42 -0.17 0.00 -2.33 0.00 0.00 43.42 40.50 2g46 n LEU 116 CO 0.00 2.30 -0.45 -0.89 -1.33 0.00 0.00 177.39 177.01 2g46 s THR 117 N -4.62 1.25 0.06 -5.08 2.01 -1.25 -5.08 115.64 102.93 2g46 s THR 117 Ca 0.47 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.98 2g46 s THR 117 Cb 0.33 -1.26 0.00 0.00 0.01 0.00 0.00 72.50 71.58 2g46 s THR 117 CO -0.15 0.34 0.00 0.00 -0.69 0.00 0.00 174.62 174.13 2g46 n GLN 118 N 4.86 -0.55 0.00 4.92 6.02 -1.26 -5.13 117.38 126.25 2g46 n GLN 118 Ca -0.14 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 2g46 n GLN 118 Cb 0.49 -0.67 0.00 0.00 1.02 0.00 0.00 30.24 31.09 2g46 n GLN 118 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14