#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g48 s MET 1 N 0.00 4.51 0.20 0.00 -2.45 -1.26 -5.04 119.30 115.26 3g48 s MET 1 Ca 0.00 1.99 0.05 0.00 -1.25 0.00 0.00 55.69 56.48 3g48 s MET 1 Cb 0.00 -3.14 -0.04 0.00 1.25 0.00 0.00 34.83 32.90 3g48 s MET 1 CO 0.00 0.02 0.20 0.00 1.05 0.00 0.00 175.02 176.30 3g48 s ALA 2 N -1.09 3.67 -0.25 4.11 0.00 -1.26 -5.10 121.76 121.84 3g48 s ALA 2 Ca 0.47 -1.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.00 3g48 s ALA 2 Cb -0.35 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 3g48 s ALA 2 CO 0.46 0.39 0.41 1.21 0.00 0.00 0.00 175.76 178.23 3g48 s ASN 3 N -3.48 6.35 0.43 0.00 3.84 -1.26 -4.99 114.94 115.83 3g48 s ASN 3 Ca 0.32 0.42 0.13 0.00 0.21 0.00 0.00 52.86 53.94 3g48 s ASN 3 Cb -0.09 -2.23 1.00 0.00 -0.55 0.00 0.00 41.25 39.38 3g48 s ASN 3 CO 0.25 -0.17 1.99 0.15 -2.79 0.00 0.00 177.10 176.53 3g48 h PHE 4 N 7.88 0.45 -0.07 0.43 3.57 -2.00 -1.96 116.94 125.25 3g48 h PHE 4 Ca -0.32 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.15 3g48 h PHE 4 Cb 1.16 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 3g48 h PHE 4 CO 0.73 0.23 -0.14 0.93 -2.23 0.00 0.00 178.31 177.82 3g48 h GLU 5 N 0.44 0.10 -0.76 1.11 4.39 -1.99 -1.10 114.58 116.76 3g48 h GLU 5 Ca 0.26 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.90 3g48 h GLU 5 Cb 0.46 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 3g48 h GLU 5 CO -0.07 0.25 0.31 -0.44 -1.16 0.00 0.00 179.01 177.90 3g48 h ASP 6 N 0.10 1.04 -0.87 1.42 3.32 -1.78 -2.62 116.42 117.04 3g48 h ASP 6 Ca 0.02 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3g48 h ASP 6 Cb 0.32 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 3g48 h ASP 6 CO 0.02 0.93 0.51 0.15 -1.72 0.00 0.00 179.24 179.13 3g48 h PHE 7 N 1.10 1.16 0.00 4.55 3.57 -1.16 -2.22 116.94 123.94 3g48 h PHE 7 Ca 0.26 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 3g48 h PHE 7 Cb 0.20 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 3g48 h PHE 7 CO 0.02 0.78 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.74 3g48 h LEU 8 N 1.20 0.00 -1.48 0.59 3.38 -0.91 -1.48 115.31 116.61 3g48 h LEU 8 Ca 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 3g48 h LEU 8 Cb -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3g48 h LEU 8 CO -0.06 0.06 -0.01 0.71 0.09 0.00 0.00 178.44 179.23 3g48 h THR 9 N 0.00 0.03 -3.63 0.22 1.35 -1.04 -3.44 112.91 106.40 3g48 h THR 9 Ca -0.00 -0.53 -0.51 0.00 -0.55 0.00 0.00 66.41 64.82 3g48 h THR 9 Cb 0.37 1.51 -0.03 0.00 -1.73 0.00 0.00 68.15 68.28 3g48 h THR 9 CO 0.01 0.01 0.20 -0.76 -0.25 0.00 0.00 175.52 174.73 3g48 s LEU 10 N -6.22 4.45 -0.52 3.87 1.43 -0.56 -5.02 118.68 116.10 3g48 s LEU 10 Ca 0.01 1.61 -0.07 0.00 -1.03 0.00 0.00 54.13 54.65 3g48 s LEU 10 Cb 0.09 -3.58 0.14 0.00 0.03 0.00 0.00 46.19 42.87 3g48 s LEU 10 CO 0.55 0.08 0.38 -0.62 0.23 0.00 0.00 176.35 176.96 3g48 s ASP 11 N -1.44 5.62 -0.19 2.29 2.15 -1.26 -5.03 116.67 118.80 3g48 s ASP 11 Ca 0.42 -2.20 -0.15 0.00 0.43 0.00 0.00 52.55 51.05 3g48 s ASP 11 Cb -0.20 -1.96 -0.04 0.00 -0.30 0.00 0.00 42.92 40.42 3g48 s ASP 11 CO 0.24 -0.59 0.36 -0.76 -0.17 0.00 0.00 175.17 174.25 3g48 s LEU 12 N 0.92 4.18 0.11 -1.34 1.02 -1.26 -1.05 118.68 121.26 3g48 s LEU 12 Ca 0.10 0.51 0.04 0.00 0.02 0.00 0.00 54.13 54.79 3g48 s LEU 12 Cb -0.23 -2.46 -0.04 0.00 0.02 0.00 0.00 46.19 43.48 3g48 s LEU 12 CO -0.03 -0.02 -0.10 -0.13 0.02 0.00 0.00 176.35 176.10 3g48 s ARG 13 N 1.03 0.89 0.06 1.70 1.81 -0.14 -1.71 118.95 122.59 3g48 s ARG 13 Ca 0.18 -1.24 -0.17 0.00 -1.72 0.00 0.00 55.73 52.78 3g48 s ARG 13 Cb -0.14 -0.52 -0.06 0.00 -0.45 0.00 0.00 34.95 33.78 3g48 s ARG 13 CO 0.07 0.07 0.52 0.42 -0.68 0.00 0.00 175.30 175.70 3g48 s ILE 14 N -2.75 4.83 0.15 1.52 -1.09 -0.24 -1.34 121.20 122.29 3g48 s ILE 14 Ca 0.08 1.07 -0.06 0.00 -2.23 0.00 0.00 60.65 59.51 3g48 s ILE 14 Cb -0.01 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 3g48 s ILE 14 CO -0.00 0.53 0.20 -0.83 -1.23 0.00 0.00 174.94 173.60 3g48 s GLY 15 N -1.18 0.66 -0.13 6.18 0.00 -0.91 -0.35 107.32 111.59 3g48 s GLY 15 Ca 0.29 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 43.91 3g48 s GLY 15 CO 0.18 -1.03 -0.12 -1.59 0.00 0.00 0.00 173.10 170.54 3g48 s THR 16 N -3.99 3.19 0.02 0.90 2.01 -0.71 -0.78 115.64 116.27 3g48 s THR 16 Ca 0.19 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 3g48 s THR 16 Cb 0.05 -2.35 -0.06 0.00 0.01 0.00 0.00 72.50 70.16 3g48 s THR 16 CO 0.00 0.52 1.36 -0.69 -0.69 0.00 0.00 174.62 175.13 3g48 s VAL 17 N 0.28 3.73 -0.11 3.82 1.01 0.24 -0.74 120.40 128.63 3g48 s VAL 17 Ca -0.09 1.15 0.09 0.00 0.00 0.00 0.00 61.98 63.13 3g48 s VAL 17 Cb -0.15 -3.74 -0.12 0.00 0.00 0.00 0.00 36.38 32.37 3g48 s VAL 17 CO 0.05 0.02 0.23 0.35 0.00 0.00 0.00 175.10 175.75 3g48 n THR 18 N 4.48 0.00 -3.65 3.92 -2.24 0.52 -0.44 114.28 116.88 3g48 n THR 18 Ca 0.12 -0.22 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 3g48 n THR 18 Cb 0.44 0.48 -0.08 0.00 -2.10 0.00 0.00 70.33 69.07 3g48 n THR 18 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3g48 s HIS 19 N -2.39 -0.51 -0.15 4.78 5.65 -1.15 -4.92 115.29 116.59 3g48 s HIS 19 Ca -0.02 1.02 -0.10 0.00 0.25 0.00 0.00 55.06 56.22 3g48 s HIS 19 Cb 0.06 0.24 0.05 0.00 -1.18 0.00 0.00 32.58 31.75 3g48 s HIS 19 CO 0.36 -0.43 0.38 0.00 -0.65 0.00 0.00 174.74 174.40 3g48 s ALA 20 N -0.66 -0.95 -0.07 1.58 0.00 -1.26 -1.44 121.76 118.97 3g48 s ALA 20 Ca -0.07 1.34 -0.13 0.00 0.00 0.00 0.00 51.96 53.10 3g48 s ALA 20 Cb -0.03 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.31 3g48 s ALA 20 CO 0.05 -0.23 0.32 -1.83 0.00 0.00 0.00 175.76 174.06 3g48 s GLU 21 N 1.07 0.52 -0.02 0.00 -1.05 -0.41 -4.79 118.70 114.03 3g48 s GLU 21 Ca -0.07 0.13 0.04 0.00 -0.15 0.00 0.00 54.97 54.92 3g48 s GLU 21 Cb -0.07 0.24 -0.00 0.00 -0.44 0.00 0.00 34.13 33.85 3g48 s GLU 21 CO -0.09 -0.11 -0.13 -2.00 0.95 0.00 0.00 175.26 173.88 3g48 s GLU 22 N -0.57 1.16 -0.21 -4.83 2.12 -1.26 -1.26 118.70 113.84 3g48 s GLU 22 Ca -0.07 -0.44 -0.12 0.00 0.36 0.00 0.00 54.97 54.70 3g48 s GLU 22 Cb -0.04 -1.08 -0.09 0.00 0.26 0.00 0.00 34.13 33.18 3g48 s GLU 22 CO 0.02 0.22 -0.29 1.19 -0.54 0.00 0.00 175.26 175.87 3g48 n PHE 23 N 2.99 0.00 -3.48 5.30 3.72 -1.26 -5.09 117.46 119.64 3g48 n PHE 23 Ca -0.16 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.83 3g48 n PHE 23 Cb 0.55 -0.75 -0.03 0.00 -0.94 0.00 0.00 39.48 38.30 3g48 n PHE 23 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3g48 s PRO 29 N -2.45 3.65 0.15 -1.08 0.04 -1.26 -5.16 135.00 128.88 3g48 s PRO 29 Ca -0.30 -3.08 -0.05 0.00 0.04 0.00 0.00 61.00 57.60 3g48 s PRO 29 Cb 0.11 -4.25 -0.02 0.00 0.04 0.00 0.00 34.50 30.38 3g48 s PRO 29 CO 0.39 -1.25 0.17 0.00 0.04 0.00 0.00 177.00 176.35 3g48 s ALA 30 N -1.01 0.41 -0.13 8.56 0.00 -1.26 -4.45 121.76 123.88 3g48 s ALA 30 Ca 0.27 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 3g48 s ALA 30 Cb -0.10 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 3g48 s ALA 30 CO -0.09 -0.57 -0.12 0.42 0.00 0.00 0.00 175.76 175.40 3g48 s ILE 31 N -4.01 3.18 -0.10 0.00 1.01 0.00 -4.71 121.20 116.57 3g48 s ILE 31 Ca 0.20 -0.62 -0.26 0.00 0.00 0.00 0.00 60.65 59.98 3g48 s ILE 31 Cb 0.05 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 3g48 s ILE 31 CO 0.01 0.52 0.84 -0.13 0.00 0.00 0.00 174.94 176.18 3g48 s ARG 32 N 0.31 4.40 0.02 2.79 0.52 -0.39 -1.25 118.95 125.35 3g48 s ARG 32 Ca -0.09 1.09 0.08 0.00 -0.52 0.00 0.00 55.73 56.29 3g48 s ARG 32 Cb -0.15 -3.52 -0.02 0.00 0.52 0.00 0.00 34.95 31.77 3g48 s ARG 32 CO 0.05 -0.17 -0.25 -0.51 0.02 0.00 0.00 175.30 174.44 3g48 s LEU 33 N 1.56 2.13 -0.10 2.53 1.43 0.38 -1.29 118.68 125.32 3g48 s LEU 33 Ca 0.41 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.98 3g48 s LEU 33 Cb -0.18 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 3g48 s LEU 33 CO 0.17 0.26 -0.09 -1.61 0.23 0.00 0.00 176.35 175.31 3g48 s GLU 34 N -1.01 3.13 -0.01 1.70 2.02 -0.52 -1.01 118.70 122.99 3g48 s GLU 34 Ca 0.10 -0.59 -0.00 0.00 0.02 0.00 0.00 54.97 54.50 3g48 s GLU 34 Cb -0.10 -2.66 0.01 0.00 0.10 0.00 0.00 34.13 31.49 3g48 s GLU 34 CO 0.01 0.43 0.02 0.42 0.02 0.00 0.00 175.26 176.16 3g48 s ILE 35 N -0.19 -0.02 -0.39 -1.63 1.01 0.32 -0.35 121.20 119.94 3g48 s ILE 35 Ca 0.02 0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.53 3g48 s ILE 35 Cb -0.13 -0.04 0.01 0.00 0.01 0.00 0.00 42.46 42.31 3g48 s ILE 35 CO 0.03 0.03 0.63 -0.62 0.00 0.00 0.00 174.94 175.00 3g48 s ASP 36 N 0.34 6.37 -0.36 3.58 -1.08 0.08 -0.65 116.67 124.95 3g48 s ASP 36 Ca -0.03 -0.10 0.07 0.00 -0.52 0.00 0.00 52.55 51.97 3g48 s ASP 36 Cb -0.04 -2.32 0.60 0.00 -1.46 0.00 0.00 42.92 39.70 3g48 s ASP 36 CO -0.01 -0.67 1.70 0.49 0.52 0.00 0.00 175.17 177.20 3g48 n PHE 37 N 6.12 2.10 -0.61 -5.34 3.72 -0.57 -1.74 117.46 121.14 3g48 n PHE 37 Ca -0.02 -1.66 0.00 0.00 -0.05 0.00 0.00 57.45 55.72 3g48 n PHE 37 Cb 0.48 -0.71 0.00 0.00 -0.94 0.00 0.00 39.48 38.31 3g48 n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3g48 n GLY 38 N -1.04 2.29 0.34 1.37 0.00 -1.25 -2.13 105.19 104.76 3g48 n GLY 38 Ca 0.46 -0.36 0.19 0.00 0.00 0.00 0.00 46.02 46.30 3g48 n GLY 38 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3g48 h GLU 39 N 0.00 0.00 0.00 1.61 5.08 -1.93 0.35 114.58 119.68 3g48 h GLU 39 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g48 h GLU 39 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3g48 h GLU 39 CO 0.00 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.29 3g48 n LEU 40 N -3.32 0.35 0.00 1.33 4.77 -0.91 -5.04 117.00 114.19 3g48 n LEU 40 Ca -0.01 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 3g48 n LEU 40 Cb 0.23 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3g48 n LEU 40 CO 0.21 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 3g48 n GLY 41 N 1.31 -2.18 3.76 -0.72 0.00 0.11 -4.91 105.19 102.56 3g48 n GLY 41 Ca 0.06 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 3g48 n GLY 41 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3g48 s MET 42 N -0.21 4.70 0.04 1.61 -1.94 -1.26 -1.50 119.30 120.73 3g48 s MET 42 Ca 0.00 1.31 0.01 0.00 -1.71 0.00 0.00 55.69 55.30 3g48 s MET 42 Cb 0.00 -3.27 -0.03 0.00 2.01 0.00 0.00 34.83 33.54 3g48 s MET 42 CO 0.00 0.55 -0.05 0.15 -0.01 0.00 0.00 175.02 175.65 3g48 s LYS 43 N -1.15 0.49 0.12 2.03 -0.14 0.18 -4.96 119.74 116.31 3g48 s LYS 43 Ca 0.38 -0.81 -0.02 0.00 -1.36 0.00 0.00 55.97 54.15 3g48 s LYS 43 Cb -0.24 -0.08 -0.05 0.00 -1.68 0.00 0.00 37.83 35.78 3g48 s LYS 43 CO 0.29 -0.01 0.32 -0.65 -0.76 0.00 0.00 175.35 174.54 3g48 s GLN 44 N -2.02 3.54 -0.04 1.68 -0.21 -1.26 -0.52 119.66 120.83 3g48 s GLN 44 Ca -0.08 -0.25 -0.10 0.00 0.02 0.00 0.00 55.36 54.94 3g48 s GLN 44 Cb -0.07 -2.91 0.02 0.00 1.00 0.00 0.00 33.01 31.05 3g48 s GLN 44 CO -0.02 0.50 0.24 0.45 -2.12 0.00 0.00 175.29 174.35 3g48 s SER 45 N -2.59 -0.16 -0.21 5.90 0.15 -0.18 -0.54 113.70 116.06 3g48 s SER 45 Ca 0.39 0.19 -0.07 0.00 0.70 0.00 0.00 55.95 57.16 3g48 s SER 45 Cb -0.12 0.38 -0.03 0.00 -1.71 0.00 0.00 66.02 64.53 3g48 s SER 45 CO 0.26 -0.27 0.05 -0.55 1.20 0.00 0.00 173.24 173.93 3g48 s SER 46 N -0.72 5.28 -0.05 5.45 0.15 -1.26 -0.47 113.70 122.09 3g48 s SER 46 Ca -0.08 -0.08 0.03 0.00 0.70 0.00 0.00 55.95 56.52 3g48 s SER 46 Cb -0.04 -1.92 0.01 0.00 -1.71 0.00 0.00 66.02 62.35 3g48 s SER 46 CO 0.02 0.08 -0.12 0.00 1.20 0.00 0.00 173.24 174.41 3g48 s ALA 47 N 0.95 1.20 -1.31 5.45 0.00 -0.38 -4.89 121.76 122.78 3g48 s ALA 47 Ca 0.03 -0.45 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 3g48 s ALA 47 Cb -0.14 -0.47 0.15 0.00 0.00 0.00 0.00 23.12 22.66 3g48 s ALA 47 CO 0.03 0.16 1.97 1.04 0.00 0.00 0.00 175.76 178.96 3g48 n GLN 48 N 3.48 3.65 -0.55 0.00 6.02 -1.26 -0.82 117.38 127.90 3g48 n GLN 48 Ca -0.20 -3.42 0.07 0.00 -0.01 0.00 0.00 57.00 53.43 3g48 n GLN 48 Cb 0.53 -2.93 0.19 0.00 1.02 0.00 0.00 30.24 29.05 3g48 n GLN 48 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3g48 n ILE 49 N 3.33 2.03 0.32 5.09 -5.35 -1.26 -4.68 119.36 118.84 3g48 n ILE 49 Ca 0.43 -2.94 0.14 0.00 -0.27 0.00 0.00 62.75 60.11 3g48 n ILE 49 Cb 0.35 -0.17 0.40 0.00 -1.74 0.00 0.00 39.64 38.47 3g48 n ILE 49 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 3g48 h THR 50 N 1.18 0.00 -0.44 7.28 1.35 -1.81 -2.72 112.91 117.75 3g48 h THR 50 Ca -0.01 -0.69 0.02 0.00 -0.55 0.00 0.00 66.41 65.18 3g48 h THR 50 Cb 1.05 1.66 -0.03 0.00 -1.73 0.00 0.00 68.15 69.10 3g48 h THR 50 CO 0.00 0.00 0.25 0.50 -0.25 0.00 0.00 175.52 176.03 3g48 h LYS 51 N 0.00 0.49 0.00 4.72 1.63 -1.86 -3.35 116.57 118.20 3g48 h LYS 51 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3g48 h LYS 51 Cb 0.75 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 3g48 h LYS 51 CO 0.00 0.32 -0.80 0.54 -3.45 0.00 0.00 179.45 176.07 3g48 n ARG 52 N -4.86 2.61 -5.21 1.90 1.74 -1.24 -5.03 116.66 106.58 3g48 n ARG 52 Ca 0.02 -0.03 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 3g48 n ARG 52 Cb 0.08 -1.00 -0.17 0.00 -1.02 0.00 0.00 32.46 30.35 3g48 n ARG 52 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3g48 s TYR 53 N -2.07 2.47 -0.12 -1.55 2.02 -1.03 -5.11 117.35 111.97 3g48 s TYR 53 Ca 0.00 -0.91 -0.08 0.00 -0.37 0.00 0.00 57.07 55.71 3g48 s TYR 53 Cb 0.05 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.93 3g48 s TYR 53 CO 0.30 -0.34 0.17 -0.80 -1.57 0.00 0.00 175.55 173.31 3g48 s ASN 54 N 0.16 6.41 0.41 2.29 0.02 -1.26 -4.51 114.94 118.46 3g48 s ASN 54 Ca -0.13 0.50 0.20 0.00 -1.02 0.00 0.00 52.86 52.41 3g48 s ASN 54 Cb -0.16 -2.09 1.15 0.00 0.02 0.00 0.00 41.25 40.17 3g48 s ASN 54 CO 0.07 0.38 1.77 -0.65 0.02 0.00 0.00 177.10 178.69 3g48 h PRO 55 N 5.12 0.34 -0.61 -0.60 0.11 -1.96 -0.89 132.00 133.51 3g48 h PRO 55 Ca -0.53 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.62 3g48 h PRO 55 Cb 1.22 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 3g48 h PRO 55 CO 0.60 0.23 0.31 0.93 -0.21 0.00 0.00 178.00 179.86 3g48 h GLU 56 N 0.35 0.56 -0.14 1.05 3.07 -1.95 -1.98 114.58 115.54 3g48 h GLU 56 Ca 0.60 -0.03 0.04 0.00 -0.50 0.00 0.00 59.36 59.46 3g48 h GLU 56 Cb 1.60 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 29.37 3g48 h GLU 56 CO -0.28 0.37 0.17 -0.44 -1.40 0.00 0.00 179.01 177.43 3g48 h ASP 57 N 0.58 0.00 0.46 1.42 3.32 -1.57 -3.10 116.42 117.53 3g48 h ASP 57 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3g48 h ASP 57 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3g48 h ASP 57 CO -0.20 0.00 -0.93 0.18 -1.72 0.00 0.00 179.24 176.58 3g48 n LEU 58 N -3.71 0.63 -4.69 1.55 4.77 -0.74 -4.76 117.00 110.04 3g48 n LEU 58 Ca 0.00 -0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 3g48 n LEU 58 Cb 0.28 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3g48 n LEU 58 CO 0.26 0.05 1.19 -0.63 -1.33 0.00 0.00 177.39 176.93 3g48 s ILE 59 N -3.16 3.46 0.00 -0.08 -1.09 -1.18 -1.14 121.20 118.01 3g48 s ILE 59 Ca 0.05 0.88 0.00 0.00 -2.23 0.00 0.00 60.65 59.35 3g48 s ILE 59 Cb 0.15 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 3g48 s ILE 59 CO 0.79 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 175.11 3g48 n GLY 60 N 3.76 0.99 3.72 6.18 0.00 0.42 -5.02 105.19 115.24 3g48 n GLY 60 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3g48 n GLY 60 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3g48 s GLN 61 N -0.27 4.31 -0.09 1.61 2.00 -0.29 -4.76 119.66 122.17 3g48 s GLN 61 Ca 0.00 2.13 -0.18 0.00 -2.00 0.00 0.00 55.36 55.31 3g48 s GLN 61 Cb 0.00 -3.22 -0.04 0.00 0.80 0.00 0.00 33.01 30.55 3g48 s GLN 61 CO 0.00 -0.44 0.49 -0.65 -0.50 0.00 0.00 175.29 174.19 3g48 s GLN 62 N 0.83 4.30 0.47 1.67 -0.21 -1.26 -0.59 119.66 124.86 3g48 s GLN 62 Ca 0.64 0.49 0.04 0.00 0.02 0.00 0.00 55.36 56.55 3g48 s GLN 62 Cb -0.38 -3.40 -0.04 0.00 1.00 0.00 0.00 33.01 30.19 3g48 s GLN 62 CO 0.32 0.24 0.04 0.96 -2.12 0.00 0.00 175.29 174.73 3g48 s ILE 63 N 0.34 1.54 -0.13 1.08 -5.25 0.04 -4.48 121.20 114.35 3g48 s ILE 63 Ca 0.27 -1.95 0.03 0.00 -0.99 0.00 0.00 60.65 58.00 3g48 s ILE 63 Cb -0.16 -2.49 0.00 0.00 2.95 0.00 0.00 42.46 42.76 3g48 s ILE 63 CO 0.12 0.00 -0.21 -0.69 -1.79 0.00 0.00 174.94 172.36 3g48 s VAL 64 N -2.80 2.20 0.01 8.37 1.01 -1.25 -2.14 120.40 125.80 3g48 s VAL 64 Ca 0.19 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 3g48 s VAL 64 Cb 0.04 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 3g48 s VAL 64 CO 0.10 0.55 0.00 0.00 0.00 0.00 0.00 175.10 175.75 3g48 s ALA 65 N 0.64 0.03 -0.18 5.51 0.00 -0.45 -1.09 121.76 126.22 3g48 s ALA 65 Ca -0.11 -0.46 -0.23 0.00 0.00 0.00 0.00 51.96 51.16 3g48 s ALA 65 Cb -0.16 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 3g48 s ALA 65 CO 0.02 -0.16 0.72 0.08 0.00 0.00 0.00 175.76 176.42 3g48 s VAL 66 N -1.32 4.96 -1.72 0.00 1.01 -0.11 -0.97 120.40 122.25 3g48 s VAL 66 Ca -0.14 1.38 0.16 0.00 0.00 0.00 0.00 61.98 63.38 3g48 s VAL 66 Cb -0.09 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.32 3g48 s VAL 66 CO -0.00 0.08 0.92 1.33 0.00 0.00 0.00 175.10 177.43 3g48 n VAL 67 N 4.67 0.00 -1.70 2.92 0.24 -0.21 -1.33 118.33 122.91 3g48 n VAL 67 Ca 0.01 -0.40 0.06 0.00 -2.04 0.00 0.00 64.34 61.96 3g48 n VAL 67 Cb 0.49 1.25 0.19 0.00 -1.47 0.00 0.00 33.84 34.31 3g48 n VAL 67 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3g48 n ASN 68 N 0.32 1.65 -4.91 -1.34 6.94 -1.26 -4.84 115.26 111.82 3g48 n ASN 68 Ca 0.08 -3.70 -0.27 0.00 -0.02 0.00 0.00 54.58 50.67 3g48 n ASN 68 Cb 0.37 -0.50 -0.00 0.00 -2.36 0.00 0.00 39.78 37.28 3g48 n ASN 68 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 3g48 s PHE 69 N -2.89 3.55 0.58 -2.53 0.08 -1.26 -4.96 117.98 110.55 3g48 s PHE 69 Ca 0.38 0.78 -0.20 0.00 0.12 0.00 0.00 56.93 58.00 3g48 s PHE 69 Cb 0.37 -2.27 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 3g48 s PHE 69 CO -0.08 -0.23 1.33 -2.14 -0.10 0.00 0.00 175.22 174.00 3g48 s PRO 70 N -4.66 2.94 0.81 0.24 0.02 -1.26 -4.92 135.00 128.17 3g48 s PRO 70 Ca 0.47 2.17 -0.10 0.00 0.02 0.00 0.00 61.00 63.55 3g48 s PRO 70 Cb -0.10 -2.11 0.08 0.00 0.02 0.00 0.00 34.50 32.39 3g48 s PRO 70 CO 0.43 -1.33 1.11 -1.25 -0.33 0.00 0.00 177.00 175.64 3g48 s PRO 71 N -3.07 1.90 0.06 5.54 0.04 -1.26 -4.96 135.00 133.25 3g48 s PRO 71 Ca 0.75 1.28 0.03 0.00 0.04 0.00 0.00 61.00 63.11 3g48 s PRO 71 Cb -0.39 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 3g48 s PRO 71 CO 0.45 -1.93 -0.10 -1.59 0.04 0.00 0.00 177.00 173.87 3g48 s LYS 72 N -4.83 0.68 -0.18 4.56 -2.85 -0.54 -4.98 119.74 111.60 3g48 s LYS 72 Ca 0.63 -0.91 -0.07 0.00 -1.00 0.00 0.00 55.97 54.61 3g48 s LYS 72 Cb -0.19 -0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 35.06 3g48 s LYS 72 CO 0.57 0.09 0.06 1.03 0.10 0.00 0.00 175.35 177.20 3g48 s ARG 73 N -1.95 3.94 -0.20 1.78 1.81 -1.26 0.05 118.95 123.12 3g48 s ARG 73 Ca -0.04 -0.34 0.01 0.00 -1.72 0.00 0.00 55.73 53.64 3g48 s ARG 73 Cb -0.08 -3.20 0.04 0.00 -0.45 0.00 0.00 34.95 31.26 3g48 s ARG 73 CO 0.01 0.30 -0.12 0.08 -0.68 0.00 0.00 175.30 174.89 3g48 s VAL 74 N 0.29 1.78 -1.69 3.52 1.01 -0.10 -4.67 120.40 120.54 3g48 s VAL 74 Ca 0.04 -1.09 -0.17 0.00 0.00 0.00 0.00 61.98 60.76 3g48 s VAL 74 Cb -0.12 -1.82 0.15 0.00 0.00 0.00 0.00 36.38 34.59 3g48 s VAL 74 CO 0.00 0.20 0.70 0.00 0.00 0.00 0.00 175.10 176.00 3g48 n ALA 75 N 4.64 -1.35 0.00 5.51 0.00 -1.26 -1.03 120.51 127.02 3g48 n ALA 75 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3g48 n ALA 75 Cb 0.46 -3.09 0.00 0.00 0.00 0.00 0.00 19.45 16.82 3g48 n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g48 n GLY 76 N -1.46 2.57 3.69 0.00 0.00 -1.26 -5.02 105.19 103.71 3g48 n GLY 76 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3g48 n GLY 76 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3g48 s PHE 77 N -2.21 3.50 -0.26 1.61 5.36 -0.20 -5.00 117.98 120.79 3g48 s PHE 77 Ca 0.00 1.21 -0.29 0.00 -0.96 0.00 0.00 56.93 56.89 3g48 s PHE 77 Cb 0.00 -2.87 -0.02 0.00 -0.34 0.00 0.00 43.02 39.80 3g48 s PHE 77 CO 0.00 -0.05 1.51 0.21 -1.46 0.00 0.00 175.22 175.43 3g48 s LYS 78 N 1.35 3.81 -0.29 10.12 2.20 -1.26 -0.92 119.74 134.74 3g48 s LYS 78 Ca 0.37 1.48 -0.10 0.00 -0.36 0.00 0.00 55.97 57.36 3g48 s LYS 78 Cb -0.17 -3.99 -0.03 0.00 -1.51 0.00 0.00 37.83 32.13 3g48 s LYS 78 CO 0.16 -1.27 0.17 0.45 -0.36 0.00 0.00 175.35 174.50 3g48 s SER 79 N 3.79 5.72 -0.02 1.43 0.15 0.11 -4.39 113.70 120.49 3g48 s SER 79 Ca 0.66 -0.28 0.17 0.00 0.70 0.00 0.00 55.95 57.20 3g48 s SER 79 Cb -0.22 -2.05 -0.26 0.00 -1.71 0.00 0.00 66.02 61.78 3g48 s SER 79 CO 0.27 -0.13 0.38 -0.62 1.20 0.00 0.00 173.24 174.35 3g48 n GLU 80 N 5.02 0.54 -4.10 5.44 1.02 0.30 -1.46 120.64 127.39 3g48 n GLU 80 Ca -0.14 -0.15 -0.13 0.00 -0.02 0.00 0.00 57.16 56.72 3g48 n GLU 80 Cb 0.51 -1.40 -0.11 0.00 -0.02 0.00 0.00 31.44 30.41 3g48 n GLU 80 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3g48 s VAL 81 N -3.17 0.63 -0.38 2.62 -7.23 -1.13 -4.68 120.40 107.06 3g48 s VAL 81 Ca -0.06 -1.30 -0.13 0.00 -1.81 0.00 0.00 61.98 58.68 3g48 s VAL 81 Cb 0.11 -0.90 0.02 0.00 0.56 0.00 0.00 36.38 36.17 3g48 s VAL 81 CO 0.71 -0.48 0.25 -0.22 -0.31 0.00 0.00 175.10 175.04 3g48 s LEU 82 N -1.94 4.84 -0.09 1.32 2.96 -0.44 -4.67 118.68 120.65 3g48 s LEU 82 Ca -0.04 -0.89 -0.27 0.00 -0.22 0.00 0.00 54.13 52.71 3g48 s LEU 82 Cb -0.06 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 3g48 s LEU 82 CO -0.01 -0.39 0.88 -0.69 -1.32 0.00 0.00 176.35 174.82 3g48 s VAL 83 N 1.62 4.89 0.05 1.68 1.01 -1.26 -0.94 120.40 127.46 3g48 s VAL 83 Ca 0.04 1.80 -0.12 0.00 0.00 0.00 0.00 61.98 63.70 3g48 s VAL 83 Cb -0.19 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 3g48 s VAL 83 CO 0.08 0.10 0.41 -0.76 0.00 0.00 0.00 175.10 174.93 3g48 s LEU 84 N 1.54 4.39 0.11 3.92 1.43 -0.25 -5.00 118.68 124.82 3g48 s LEU 84 Ca 0.44 0.86 -0.17 0.00 -1.03 0.00 0.00 54.13 54.23 3g48 s LEU 84 Cb -0.18 -2.84 0.04 0.00 0.03 0.00 0.00 46.19 43.24 3g48 s LEU 84 CO 0.19 0.23 0.43 -0.83 0.23 0.00 0.00 176.35 176.59 3g48 s GLY 85 N -1.50 -0.32 0.18 -3.19 0.00 -1.26 -2.29 107.32 98.93 3g48 s GLY 85 Ca 0.30 0.10 -0.20 0.00 0.00 0.00 0.00 44.72 44.92 3g48 s GLY 85 CO 0.16 -0.17 0.68 -0.32 0.00 0.00 0.00 173.10 173.45 3g48 s GLY 86 N -2.62 2.66 -0.41 0.20 0.00 0.17 -4.86 107.32 102.46 3g48 s GLY 86 Ca 0.01 0.14 0.04 0.00 0.00 0.00 0.00 44.72 44.91 3g48 s GLY 86 CO -0.10 0.52 0.13 0.14 0.00 0.00 0.00 173.10 173.80 3g48 s VAL 87 N -1.37 2.32 -0.52 1.40 1.01 -1.26 -0.75 120.40 121.22 3g48 s VAL 87 Ca 0.38 -2.68 0.24 0.00 0.00 0.00 0.00 61.98 59.93 3g48 s VAL 87 Cb -0.18 -2.67 0.21 0.00 0.00 0.00 0.00 36.38 33.73 3g48 s VAL 87 CO 0.21 -0.68 1.50 1.55 0.00 0.00 0.00 175.10 177.68 3g48 h PRO 88 N 7.20 0.00 -2.83 2.72 0.13 -1.98 -3.46 132.00 133.78 3g48 h PRO 88 Ca -0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.04 3g48 h PRO 88 Cb 0.97 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.96 3g48 h PRO 88 CO 0.58 0.00 0.16 -1.83 -0.23 0.00 0.00 178.00 176.68 3g48 s GLU 89 N -3.20 1.19 0.29 0.86 -1.05 -1.26 -5.09 118.70 110.44 3g48 s GLU 89 Ca 0.06 -0.33 -0.30 0.00 -0.15 0.00 0.00 54.97 54.26 3g48 s GLU 89 Cb 0.09 0.55 -0.12 0.00 -0.44 0.00 0.00 34.13 34.22 3g48 s GLU 89 CO 0.68 -0.48 1.61 0.00 0.95 0.00 0.00 175.26 178.02 3g48 n ALA 90 N -0.03 2.63 -0.16 -0.84 0.00 -1.26 -1.65 120.51 119.20 3g48 n ALA 90 Ca -0.17 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3g48 n ALA 90 Cb 0.63 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3g48 n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g48 n GLY 91 N 2.20 1.21 3.60 0.00 0.00 -1.26 -5.03 105.19 105.91 3g48 n GLY 91 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3g48 n GLY 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g48 s ASP 92 N -2.98 4.69 -0.04 1.61 2.15 -0.66 -4.54 116.67 116.91 3g48 s ASP 92 Ca 0.00 -0.09 -0.03 0.00 0.43 0.00 0.00 52.55 52.87 3g48 s ASP 92 Cb 0.00 -1.14 0.02 0.00 -0.30 0.00 0.00 42.92 41.50 3g48 s ASP 92 CO 0.00 0.31 0.10 -0.69 -0.17 0.00 0.00 175.17 174.72 3g48 s VAL 93 N -0.94 -0.02 -0.17 1.11 1.01 -1.26 -4.38 120.40 115.75 3g48 s VAL 93 Ca 0.16 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 3g48 s VAL 93 Cb -0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 3g48 s VAL 93 CO 0.06 0.03 -0.12 -0.69 0.00 0.00 0.00 175.10 174.38 3g48 s VAL 94 N 0.43 2.95 0.49 2.92 1.01 0.07 -4.65 120.40 123.62 3g48 s VAL 94 Ca -0.03 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.06 3g48 s VAL 94 Cb -0.05 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.99 3g48 s VAL 94 CO -0.02 0.49 1.22 -0.76 0.00 0.00 0.00 175.10 176.04 3g48 s LEU 95 N 0.93 3.95 0.47 3.92 1.43 -1.26 -0.65 118.68 127.46 3g48 s LEU 95 Ca -0.02 2.44 -0.20 0.00 -1.03 0.00 0.00 54.13 55.32 3g48 s LEU 95 Cb -0.15 -4.27 -0.10 0.00 0.03 0.00 0.00 46.19 41.71 3g48 s LEU 95 CO -0.01 -1.13 0.98 -0.76 0.23 0.00 0.00 176.35 175.66 3g48 s LEU 96 N -3.22 3.83 0.09 1.79 1.43 -0.97 -4.83 118.68 116.80 3g48 s LEU 96 Ca 0.66 1.70 -0.13 0.00 -1.03 0.00 0.00 54.13 55.34 3g48 s LEU 96 Cb -0.32 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.38 3g48 s LEU 96 CO 0.38 -0.52 0.30 0.00 0.23 0.00 0.00 176.35 176.75 3g48 s GLN 97 N -3.45 0.92 0.53 1.70 -2.07 -1.26 -3.94 119.66 112.10 3g48 s GLN 97 Ca 0.62 -0.74 -0.20 0.00 -1.82 0.00 0.00 55.36 53.23 3g48 s GLN 97 Cb -0.11 0.39 -0.06 0.00 -1.09 0.00 0.00 33.01 32.15 3g48 s GLN 97 CO 0.20 -0.32 1.13 -1.25 -1.32 0.00 0.00 175.29 173.72 3g48 s PRO 98 N -3.48 3.41 0.39 9.60 0.04 -1.26 -4.93 135.00 138.77 3g48 s PRO 98 Ca 0.01 1.61 0.28 0.00 0.04 0.00 0.00 61.00 62.94 3g48 s PRO 98 Cb 0.02 -2.03 1.08 0.00 0.04 0.00 0.00 34.50 33.61 3g48 s PRO 98 CO -0.09 -0.81 1.83 -0.97 0.04 0.00 0.00 177.00 177.00 3g48 h ASN 99 N 1.27 0.00 -5.17 6.66 -0.73 -2.01 -3.44 115.58 112.17 3g48 h ASN 99 Ca -0.50 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 57.58 3g48 h ASN 99 Cb 1.26 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 39.70 3g48 h ASN 99 CO 0.57 0.00 -0.44 -0.04 -0.37 0.00 0.00 177.43 177.15 3g48 s MET 100 N -3.44 0.78 0.32 6.67 -1.94 -1.26 -5.13 119.30 115.30 3g48 s MET 100 Ca 0.04 -0.99 -0.29 0.00 -1.71 0.00 0.00 55.69 52.73 3g48 s MET 100 Cb 0.09 0.31 -0.11 0.00 2.01 0.00 0.00 34.83 37.13 3g48 s MET 100 CO 0.50 -0.23 1.53 -2.00 -0.01 0.00 0.00 175.02 174.81 3g48 s GLU 101 N -3.77 4.14 0.27 2.03 2.12 -1.26 -5.02 118.70 117.22 3g48 s GLU 101 Ca 0.05 2.53 0.10 0.00 0.36 0.00 0.00 54.97 58.01 3g48 s GLU 101 Cb 0.05 -3.02 -0.05 0.00 0.26 0.00 0.00 34.13 31.37 3g48 s GLU 101 CO -0.10 -0.56 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.40 3g48 s LEU 102 N -1.08 2.60 0.33 2.70 1.43 -1.26 -5.11 118.68 118.28 3g48 s LEU 102 Ca 0.59 -1.08 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 3g48 s LEU 102 Cb -0.46 -0.93 -0.11 0.00 0.03 0.00 0.00 46.19 44.71 3g48 s LEU 102 CO 0.53 -0.09 1.46 -2.84 0.23 0.00 0.00 176.35 175.64 3g48 s PRO 103 N -3.58 4.19 0.34 1.29 0.02 -1.26 -4.93 135.00 131.07 3g48 s PRO 103 Ca 0.29 2.45 -0.29 0.00 0.02 0.00 0.00 61.00 63.47 3g48 s PRO 103 Cb -0.02 -3.03 -0.12 0.00 0.02 0.00 0.00 34.50 31.36 3g48 s PRO 103 CO 0.13 -0.46 1.40 0.09 -0.33 0.00 0.00 177.00 177.84 3g48 n ASN 104 N 1.22 3.23 0.00 2.53 5.03 -1.26 -1.95 115.26 124.06 3g48 n ASN 104 Ca 0.03 1.20 0.00 0.00 0.87 0.00 0.00 54.58 56.68 3g48 n ASN 104 Cb 0.40 -1.54 0.00 0.00 -1.02 0.00 0.00 39.78 37.62 3g48 n ASN 104 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3g48 n GLY 105 N 0.99 0.89 3.69 7.41 0.00 0.53 -3.95 105.19 114.74 3g48 n GLY 105 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 3g48 n GLY 105 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3g48 n THR 106 N -2.00 0.53 -2.87 2.61 -1.04 -0.82 -4.69 114.28 106.00 3g48 n THR 106 Ca 0.00 -0.13 -0.37 0.00 -2.04 0.00 0.00 64.05 61.51 3g48 n THR 106 Cb 0.00 -1.66 -0.06 0.00 -1.82 0.00 0.00 70.33 66.79 3g48 n THR 106 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3g48 s LYS 107 N 0.21 4.52 -0.12 -2.82 1.02 -1.26 -1.07 119.74 120.22 3g48 s LYS 107 Ca 0.72 1.22 -0.06 0.00 0.02 0.00 0.00 55.97 57.87 3g48 s LYS 107 Cb -0.61 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 3g48 s LYS 107 CO 0.43 0.34 0.09 0.42 -0.92 0.00 0.00 175.35 175.71 3g48 s ILE 108 N -1.55 5.10 0.00 2.17 1.01 -0.69 -4.95 121.20 122.30 3g48 s ILE 108 Ca 0.47 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.18 3g48 s ILE 108 Cb -0.19 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.06 3g48 s ILE 108 CO 0.24 0.59 0.00 -1.54 0.00 0.00 0.00 174.94 174.22