#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tg3 s HIS 4 N 0.00 0.20 0.68 1.57 4.02 -1.26 -5.16 115.29 115.34 1tg3 s HIS 4 Ca 0.00 -0.75 -0.17 0.00 1.02 0.00 0.00 55.06 55.15 1tg3 s HIS 4 Cb 0.00 0.65 0.01 0.00 -1.02 0.00 0.00 32.58 32.21 1tg3 s HIS 4 CO 0.00 -1.41 1.28 -2.67 1.02 0.00 0.00 174.74 172.96 1tg3 n TRP 5 N -0.51 1.82 -1.75 1.40 4.27 -1.26 -4.87 117.44 116.54 1tg3 n TRP 5 Ca -0.06 0.42 0.00 0.00 -3.89 0.00 0.00 57.50 53.97 1tg3 n TRP 5 Cb 0.60 -2.24 0.00 0.00 -1.36 0.00 0.00 31.31 28.31 1tg3 n TRP 5 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1tg3 n GLY 6 N 0.86 2.37 0.16 -1.67 0.00 -0.32 -5.04 105.19 101.55 1tg3 n GLY 6 Ca 0.16 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.76 1tg3 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1tg3 n TYR 7 N 0.00 0.00 -2.07 1.61 4.02 -1.26 -3.84 117.16 115.62 1tg3 n TYR 7 Ca 0.00 -0.88 -0.24 0.00 -0.01 0.00 0.00 57.90 56.76 1tg3 n TYR 7 Cb 0.00 -0.14 0.16 0.00 -0.02 0.00 0.00 39.34 39.34 1tg3 n TYR 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1tg3 n GLY 8 N -1.22 -0.78 0.21 2.72 0.00 -1.26 -4.72 105.19 100.14 1tg3 n GLY 8 Ca 0.14 -1.81 0.08 0.00 0.00 0.00 0.00 46.02 44.43 1tg3 n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1tg3 h LYS 9 N 0.00 0.00 0.00 1.61 3.64 -1.98 -0.81 116.57 119.03 1tg3 h LYS 9 Ca -0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1tg3 h LYS 9 Cb 1.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1tg3 h LYS 9 CO 0.29 0.29 -0.93 0.72 -2.27 0.00 0.00 179.45 177.54 1tg3 n HIS 10 N -3.58 0.00 -1.68 1.91 8.25 -1.26 -4.54 115.22 114.31 1tg3 n HIS 10 Ca -0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.47 1tg3 n HIS 10 Cb 0.42 -0.05 0.03 0.00 1.12 0.00 0.00 29.99 31.51 1tg3 n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1tg3 n ASN 11 N -1.49 0.52 -3.62 0.41 0.23 -1.22 -4.96 115.26 105.12 1tg3 n ASN 11 Ca 0.02 -2.14 -0.30 0.00 -0.53 0.00 0.00 54.58 51.64 1tg3 n ASN 11 Cb 0.29 -0.22 0.24 0.00 -2.08 0.00 0.00 39.78 38.01 1tg3 n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1tg3 n GLY 12 N -0.30 -2.54 0.43 4.83 0.00 -0.31 -1.17 105.19 106.12 1tg3 n GLY 12 Ca 0.03 -1.53 0.29 0.00 0.00 0.00 0.00 46.02 44.81 1tg3 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1tg3 h PRO 13 N 0.00 0.24 0.00 1.61 0.11 -1.86 0.18 132.00 132.28 1tg3 h PRO 13 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1tg3 h PRO 13 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1tg3 h PRO 13 CO 0.28 0.16 0.00 1.05 -0.21 0.00 0.00 178.00 179.28 1tg3 h GLU 14 N 0.25 0.00 0.00 1.05 9.09 -1.95 -2.92 114.58 120.10 1tg3 h GLU 14 Ca 0.70 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 60.11 1tg3 h GLU 14 Cb 1.99 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 29.09 1tg3 h GLU 14 CO -0.37 0.00 -1.97 0.72 0.05 0.00 0.00 179.01 177.44 1tg3 n HIS 15 N -2.46 0.00 -0.29 2.06 8.25 0.62 -4.62 115.22 118.77 1tg3 n HIS 15 Ca 0.01 0.00 0.25 0.00 -0.26 0.00 0.00 57.72 57.72 1tg3 n HIS 15 Cb 0.19 -0.49 0.58 0.00 1.12 0.00 0.00 29.99 31.38 1tg3 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1tg3 h TRP 16 N 0.00 0.45 -0.01 4.41 6.55 -1.41 -2.01 115.95 123.93 1tg3 h TRP 16 Ca -0.01 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.85 1tg3 h TRP 16 Cb 0.99 -0.13 -0.00 0.00 -0.86 0.00 0.00 29.16 29.16 1tg3 h TRP 16 CO 0.00 0.06 0.02 1.12 -1.05 0.00 0.00 178.44 178.59 1tg3 h HIS 17 N 0.28 0.00 -0.27 0.49 2.07 -1.79 0.78 115.15 116.71 1tg3 h HIS 17 Ca 0.55 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.95 1tg3 h HIS 17 Cb 1.61 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.57 1tg3 h HIS 17 CO -0.00 0.00 -0.32 0.87 -3.07 0.00 0.00 177.93 175.41 1tg3 h LYS 18 N 0.00 0.58 0.00 5.12 1.57 -1.71 -2.98 116.57 119.15 1tg3 h LYS 18 Ca 0.01 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.46 1tg3 h LYS 18 Cb 0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1tg3 h LYS 18 CO -0.00 0.83 -1.90 -0.25 -0.57 0.00 0.00 179.45 177.56 1tg3 n ASP 19 N -4.07 0.16 -3.57 0.86 8.00 -0.86 -4.73 116.55 112.34 1tg3 n ASP 19 Ca -0.01 0.07 -0.28 0.00 0.71 0.00 0.00 54.79 55.27 1tg3 n ASP 19 Cb 0.47 1.53 -0.12 0.00 -0.02 0.00 0.00 41.12 42.98 1tg3 n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1tg3 s PHE 20 N -3.29 1.64 0.54 1.24 0.08 0.21 -5.00 117.98 113.40 1tg3 s PHE 20 Ca -0.07 -2.37 0.34 0.00 0.12 0.00 0.00 56.93 54.95 1tg3 s PHE 20 Cb 0.12 -1.46 1.51 0.00 -0.57 0.00 0.00 43.02 42.62 1tg3 s PHE 20 CO 0.88 -0.77 1.84 -1.35 -0.10 0.00 0.00 175.22 175.72 1tg3 h PRO 21 N 6.18 0.01 0.00 0.24 0.11 -1.77 -0.36 132.00 136.42 1tg3 h PRO 21 Ca 0.13 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1tg3 h PRO 21 Cb 0.90 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1tg3 h PRO 21 CO 0.43 0.01 0.00 1.51 -0.21 0.00 0.00 178.00 179.74 1tg3 n ILE 22 N -4.24 1.61 0.30 4.15 3.06 -1.26 -2.18 119.36 120.80 1tg3 n ILE 22 Ca 0.22 0.40 0.19 0.00 -2.50 0.00 0.00 62.75 61.06 1tg3 n ILE 22 Cb 1.10 -1.31 1.00 0.00 0.54 0.00 0.00 39.64 40.97 1tg3 n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1tg3 h ALA 23 N 2.19 1.35 -0.41 1.51 0.00 -1.39 0.38 119.26 122.89 1tg3 h ALA 23 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1tg3 h ALA 23 Cb 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1tg3 h ALA 23 CO 0.00 -0.16 0.04 1.63 0.00 0.00 0.00 179.25 180.77 1tg3 n LYS 24 N -3.31 3.18 -0.39 0.00 5.02 -0.92 -4.97 118.16 116.77 1tg3 n LYS 24 Ca -0.02 -2.98 -0.16 0.00 -2.02 0.00 0.00 58.31 53.13 1tg3 n LYS 24 Cb 0.21 -1.97 0.14 0.00 -0.02 0.00 0.00 35.03 33.40 1tg3 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tg3 n GLY 25 N -0.39 -3.11 0.10 0.72 0.00 0.13 -4.99 105.19 97.65 1tg3 n GLY 25 Ca 0.28 -1.39 0.12 0.00 0.00 0.00 0.00 46.02 45.03 1tg3 n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1tg3 h GLU 26 N 0.00 0.00 -1.61 1.61 4.39 -1.96 -3.39 114.58 113.63 1tg3 h GLU 26 Ca -0.22 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.03 1tg3 h GLU 26 Cb 0.69 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.94 1tg3 h GLU 26 CO 0.14 0.00 -1.11 2.89 -1.16 0.00 0.00 179.01 179.77 1tg3 n ARG 27 N -2.37 1.46 -2.81 2.33 1.85 -1.26 -4.67 116.66 111.19 1tg3 n ARG 27 Ca 0.03 -3.57 -0.32 0.00 -1.00 0.00 0.00 57.85 52.99 1tg3 n ARG 27 Cb 0.47 -1.63 -0.05 0.00 -1.05 0.00 0.00 32.46 30.21 1tg3 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1tg3 s GLN 28 N -2.89 3.94 0.19 2.89 -1.52 -1.26 -2.57 119.66 118.44 1tg3 s GLN 28 Ca 0.37 0.73 0.08 0.00 -1.95 0.00 0.00 55.36 54.59 1tg3 s GLN 28 Cb 0.39 -2.31 -0.04 0.00 -0.22 0.00 0.00 33.01 30.83 1tg3 s GLN 28 CO -0.05 -0.04 -0.15 -1.12 -0.25 0.00 0.00 175.29 173.68 1tg3 s SER 29 N -2.77 2.50 0.98 5.90 0.01 -1.26 -4.66 113.70 114.39 1tg3 s SER 29 Ca 0.55 -0.97 -0.15 0.00 1.31 0.00 0.00 55.95 56.69 1tg3 s SER 29 Cb -0.10 -0.13 0.22 0.00 0.21 0.00 0.00 66.02 66.22 1tg3 s SER 29 CO 0.25 -0.15 1.33 -2.16 0.41 0.00 0.00 173.24 172.92 1tg3 s PRO 30 N -3.42 0.43 0.14 12.44 0.04 -1.26 -4.61 135.00 138.76 1tg3 s PRO 30 Ca 0.20 -0.61 -0.03 0.00 0.04 0.00 0.00 61.00 60.60 1tg3 s PRO 30 Cb -0.02 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 1tg3 s PRO 30 CO 0.06 -2.52 0.11 0.14 0.04 0.00 0.00 177.00 174.83 1tg3 s VAL 31 N -3.89 0.09 -0.04 -0.36 -7.23 -1.26 0.12 120.40 107.81 1tg3 s VAL 31 Ca 0.76 -1.81 -0.20 0.00 -1.81 0.00 0.00 61.98 58.92 1tg3 s VAL 31 Cb -0.02 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.83 1tg3 s VAL 31 CO 0.53 -0.39 0.57 -0.62 -0.31 0.00 0.00 175.10 174.88 1tg3 s ASP 32 N -3.04 6.89 -0.47 4.85 2.15 -1.26 -3.22 116.67 122.57 1tg3 s ASP 32 Ca 0.24 1.06 -0.19 0.00 0.43 0.00 0.00 52.55 54.09 1tg3 s ASP 32 Cb 0.06 -2.34 0.04 0.00 -0.30 0.00 0.00 42.92 40.38 1tg3 s ASP 32 CO 0.02 0.05 0.57 -0.63 -0.17 0.00 0.00 175.17 175.02 1tg3 s ILE 33 N 0.14 4.93 -0.56 4.11 1.01 0.11 -4.94 121.20 126.00 1tg3 s ILE 33 Ca 0.30 -0.35 -0.24 0.00 0.00 0.00 0.00 60.65 60.36 1tg3 s ILE 33 Cb -0.17 -4.21 0.04 0.00 0.01 0.00 0.00 42.46 38.13 1tg3 s ILE 33 CO 0.15 -0.66 0.96 -0.62 0.00 0.00 0.00 174.94 174.78 1tg3 s ASP 34 N 2.32 6.34 0.61 3.58 -1.08 -1.26 -0.63 116.67 126.55 1tg3 s ASP 34 Ca 0.15 -0.35 0.35 0.00 -0.52 0.00 0.00 52.55 52.18 1tg3 s ASP 34 Cb -0.18 -2.44 2.01 0.00 -1.46 0.00 0.00 42.92 40.84 1tg3 s ASP 34 CO 0.14 -1.26 2.28 0.71 0.52 0.00 0.00 175.17 177.56 1tg3 h THR 35 N 6.03 0.34 -0.01 1.71 1.35 -1.95 -1.66 112.91 118.73 1tg3 h THR 35 Ca -0.26 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1tg3 h THR 35 Cb 1.07 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1tg3 h THR 35 CO 1.10 0.01 -0.39 1.41 -0.25 0.00 0.00 175.52 177.40 1tg3 n HIS 36 N -3.57 0.00 0.19 4.73 8.25 -1.26 -3.91 115.22 119.64 1tg3 n HIS 36 Ca -0.03 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.50 1tg3 n HIS 36 Cb 0.09 -0.12 -0.10 0.00 1.12 0.00 0.00 29.99 30.98 1tg3 n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1tg3 n THR 37 N -0.78 0.00 -2.21 1.59 -1.04 -0.69 -4.97 114.28 106.18 1tg3 n THR 37 Ca 0.10 -0.27 -0.41 0.00 -2.04 0.00 0.00 64.05 61.43 1tg3 n THR 37 Cb 0.36 0.44 -0.03 0.00 -1.82 0.00 0.00 70.33 69.28 1tg3 n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1tg3 s ALA 38 N -2.73 3.47 -0.17 2.41 0.00 -0.78 -4.82 121.76 119.15 1tg3 s ALA 38 Ca -0.02 1.17 -0.07 0.00 0.00 0.00 0.00 51.96 53.04 1tg3 s ALA 38 Cb 0.09 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1tg3 s ALA 38 CO 0.56 -0.52 0.05 0.21 0.00 0.00 0.00 175.76 176.06 1tg3 s LYS 39 N -1.69 3.84 0.06 0.00 2.20 -0.57 -4.83 119.74 118.74 1tg3 s LYS 39 Ca 0.48 -0.35 -0.31 0.00 -0.36 0.00 0.00 55.97 55.43 1tg3 s LYS 39 Cb -0.38 -3.15 -0.07 0.00 -1.51 0.00 0.00 37.83 32.72 1tg3 s LYS 39 CO 0.50 0.34 1.39 -0.47 -0.36 0.00 0.00 175.35 176.75 1tg3 s TYR 40 N 0.17 3.05 -0.34 4.03 5.04 -1.26 -0.71 117.35 127.32 1tg3 s TYR 40 Ca 0.04 0.90 -0.00 0.00 -2.44 0.00 0.00 57.07 55.57 1tg3 s TYR 40 Cb -0.12 -3.66 0.08 0.00 0.35 0.00 0.00 41.96 38.61 1tg3 s TYR 40 CO 0.01 -2.37 0.07 0.34 -1.34 0.00 0.00 175.55 172.26 1tg3 s ASP 41 N 1.51 4.93 0.66 4.32 -1.08 -0.69 -4.89 116.67 121.44 1tg3 s ASP 41 Ca 0.64 -1.78 0.39 0.00 -0.52 0.00 0.00 52.55 51.28 1tg3 s ASP 41 Cb -0.34 -1.71 2.15 0.00 -1.46 0.00 0.00 42.92 41.56 1tg3 s ASP 41 CO 0.28 -0.38 2.23 -0.65 0.52 0.00 0.00 175.17 177.17 1tg3 h PRO 42 N 7.88 0.00 -0.00 4.34 0.11 -1.94 -1.94 132.00 140.45 1tg3 h PRO 42 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1tg3 h PRO 42 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1tg3 h PRO 42 CO 0.58 0.00 -0.22 -1.13 -0.21 0.00 0.00 178.00 177.02 1tg3 n SER 43 N -3.08 0.32 -4.69 -2.05 3.41 -1.26 -4.85 113.62 101.41 1tg3 n SER 43 Ca -0.02 -0.07 -0.42 0.00 -0.26 0.00 0.00 58.87 58.09 1tg3 n SER 43 Cb 0.17 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 1tg3 n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1tg3 s LEU 44 N -2.86 4.32 0.61 1.04 1.43 -0.73 -5.02 118.68 117.47 1tg3 s LEU 44 Ca 0.17 2.05 -0.09 0.00 -1.03 0.00 0.00 54.13 55.23 1tg3 s LEU 44 Cb 0.19 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.83 1tg3 s LEU 44 CO 0.58 -0.64 0.97 -0.54 0.23 0.00 0.00 176.35 176.94 1tg3 s LYS 45 N 2.03 3.25 0.57 1.70 1.02 -1.24 -4.98 119.74 122.09 1tg3 s LYS 45 Ca 0.61 0.39 -0.18 0.00 0.02 0.00 0.00 55.97 56.81 1tg3 s LYS 45 Cb -0.30 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 1tg3 s LYS 45 CO 0.26 -0.64 1.12 -2.14 -0.92 0.00 0.00 175.35 173.03 1tg3 s PRO 46 N -5.09 3.23 0.42 -1.68 0.02 -1.26 -2.99 135.00 127.64 1tg3 s PRO 46 Ca 0.54 1.53 -0.24 0.00 0.02 0.00 0.00 61.00 62.84 1tg3 s PRO 46 Cb -0.11 -2.00 -0.08 0.00 0.02 0.00 0.00 34.50 32.33 1tg3 s PRO 46 CO 0.50 -0.93 1.14 -0.51 -0.33 0.00 0.00 177.00 176.86 1tg3 s LEU 47 N -4.09 4.13 -0.32 -5.54 1.43 -1.26 -2.35 118.68 110.68 1tg3 s LEU 47 Ca 0.71 2.25 0.02 0.00 -1.03 0.00 0.00 54.13 56.08 1tg3 s LEU 47 Cb -0.22 -4.12 0.08 0.00 0.03 0.00 0.00 46.19 41.95 1tg3 s LEU 47 CO 0.31 -0.69 0.01 -0.55 0.23 0.00 0.00 176.35 175.66 1tg3 s SER 48 N -1.31 4.75 -0.35 2.29 0.15 -0.05 -4.89 113.70 114.29 1tg3 s SER 48 Ca 0.59 -1.75 -0.09 0.00 0.70 0.00 0.00 55.95 55.39 1tg3 s SER 48 Cb -0.28 -1.65 0.02 0.00 -1.71 0.00 0.00 66.02 62.41 1tg3 s SER 48 CO 0.35 -0.32 0.16 -0.69 1.20 0.00 0.00 173.24 173.94 1tg3 s VAL 49 N 1.05 4.33 -0.62 4.45 1.01 -1.26 -1.42 120.40 127.94 1tg3 s VAL 49 Ca 0.02 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 1tg3 s VAL 49 Cb -0.20 -3.39 0.16 0.00 0.00 0.00 0.00 36.38 32.95 1tg3 s VAL 49 CO -0.05 -0.16 0.43 -0.55 0.00 0.00 0.00 175.10 174.76 1tg3 s SER 50 N 1.52 5.13 -0.06 3.32 0.15 -0.56 -4.89 113.70 118.32 1tg3 s SER 50 Ca 0.01 -2.90 0.11 0.00 0.70 0.00 0.00 55.95 53.88 1tg3 s SER 50 Cb -0.19 -1.83 0.31 0.00 -1.71 0.00 0.00 66.02 62.61 1tg3 s SER 50 CO 0.05 -0.35 1.25 -1.22 1.20 0.00 0.00 173.24 174.18 1tg3 n TYR 51 N 3.41 0.48 0.25 3.44 4.01 -1.26 -1.49 117.16 126.00 1tg3 n TYR 51 Ca 0.08 -0.63 0.09 0.00 -0.16 0.00 0.00 57.90 57.27 1tg3 n TYR 51 Cb 0.37 -0.11 0.64 0.00 -0.31 0.00 0.00 39.34 39.93 1tg3 n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1tg3 h ASP 52 N 1.50 0.00 -0.44 7.72 2.03 -1.90 -2.71 116.42 122.62 1tg3 h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1tg3 h ASP 52 Cb 0.90 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.40 1tg3 h ASP 52 CO 0.06 0.10 0.00 0.00 -1.03 0.00 0.00 179.24 178.37 1tg3 n GLN 53 N -4.15 3.67 -1.75 4.15 1.13 -1.24 -5.02 117.38 114.18 1tg3 n GLN 53 Ca -0.03 -2.87 -0.42 0.00 -1.94 0.00 0.00 57.00 51.75 1tg3 n GLN 53 Cb 0.18 -1.92 -0.01 0.00 0.11 0.00 0.00 30.24 28.61 1tg3 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1tg3 n ALA 54 N 0.25 2.07 -3.84 -1.58 0.00 -1.02 -4.61 120.51 111.78 1tg3 n ALA 54 Ca 0.23 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.72 1tg3 n ALA 54 Cb 0.94 -2.38 -0.15 0.00 0.00 0.00 0.00 19.45 17.86 1tg3 n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1tg3 s THR 55 N -0.87 1.48 0.52 0.00 2.01 -1.26 -4.92 115.64 112.60 1tg3 s THR 55 Ca 0.56 -1.92 -0.19 0.00 0.31 0.00 0.00 61.69 60.45 1tg3 s THR 55 Cb -0.51 -2.10 -0.07 0.00 0.01 0.00 0.00 72.50 69.83 1tg3 s THR 55 CO 0.60 -0.68 1.04 -0.94 -0.69 0.00 0.00 174.62 173.95 1tg3 s SER 56 N 1.16 6.21 0.00 3.53 1.04 -1.26 -1.19 113.70 123.20 1tg3 s SER 56 Ca 0.11 1.88 0.00 0.00 0.48 0.00 0.00 55.95 58.42 1tg3 s SER 56 Cb -0.19 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1tg3 s SER 56 CO -0.16 -0.87 0.00 0.18 0.98 0.00 0.00 173.24 173.37 1tg3 n LEU 57 N -1.28 0.47 -3.81 2.42 4.77 0.74 -4.20 117.00 116.11 1tg3 n LEU 57 Ca 0.09 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 1tg3 n LEU 57 Cb 0.53 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1tg3 n LEU 57 CO 0.42 0.01 0.22 -0.60 -1.33 0.00 0.00 177.39 176.11 1tg3 s ARG 58 N -1.97 1.38 -0.04 3.23 3.52 -1.20 -1.59 118.95 122.28 1tg3 s ARG 58 Ca 0.00 -0.97 0.03 0.00 -0.13 0.00 0.00 55.73 54.66 1tg3 s ARG 58 Cb 0.00 0.49 0.01 0.00 -1.56 0.00 0.00 34.95 33.89 1tg3 s ARG 58 CO 0.00 -0.58 -0.11 -1.50 -0.81 0.00 0.00 175.30 172.31 1tg3 s ILE 59 N -3.91 0.95 -0.01 4.11 2.07 -0.73 0.16 121.20 123.85 1tg3 s ILE 59 Ca 0.12 -0.43 -0.02 0.00 -1.41 0.00 0.00 60.65 58.91 1tg3 s ILE 59 Cb -0.00 -0.86 -0.00 0.00 0.13 0.00 0.00 42.46 41.73 1tg3 s ILE 59 CO -0.00 0.30 0.05 -1.48 -1.91 0.00 0.00 174.94 171.89 1tg3 s LEU 60 N 0.35 1.87 -0.42 8.50 2.34 -0.31 -1.29 118.68 129.73 1tg3 s LEU 60 Ca -0.07 -0.13 -0.19 0.00 0.06 0.00 0.00 54.13 53.80 1tg3 s LEU 60 Cb -0.11 0.26 0.02 0.00 -0.56 0.00 0.00 46.19 45.80 1tg3 s LEU 60 CO 0.01 -0.17 0.55 0.21 -1.06 0.00 0.00 176.35 175.89 1tg3 s ASN 61 N -0.69 6.28 -0.08 1.48 3.84 -0.00 -1.07 114.94 124.69 1tg3 s ASN 61 Ca -0.08 -0.40 0.18 0.00 0.21 0.00 0.00 52.86 52.78 1tg3 s ASN 61 Cb -0.05 -2.28 0.65 0.00 -0.55 0.00 0.00 41.25 39.02 1tg3 s ASN 61 CO 0.00 -0.66 1.56 0.00 -2.79 0.00 0.00 177.10 175.21 1tg3 n HIS 62 N 5.95 1.23 0.00 0.43 1.44 -0.85 -0.06 115.22 123.37 1tg3 n HIS 62 Ca -0.04 -0.59 0.00 0.00 -2.01 0.00 0.00 57.72 55.08 1tg3 n HIS 62 Cb 0.48 -0.17 0.00 0.00 0.12 0.00 0.00 29.99 30.42 1tg3 n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1tg3 n GLY 63 N 1.07 2.96 0.00 -1.39 0.00 -1.26 -4.76 105.19 101.80 1tg3 n GLY 63 Ca 0.24 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1tg3 n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1tg3 n HIS 64 N 0.00 0.00 -2.39 1.61 1.44 -1.26 -4.66 115.22 109.96 1tg3 n HIS 64 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1tg3 n HIS 64 Cb 0.00 -0.18 0.00 0.00 0.12 0.00 0.00 29.99 29.93 1tg3 n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1tg3 n ALA 65 N -1.69 0.00 -2.56 1.59 0.00 -1.26 -4.89 120.51 111.70 1tg3 n ALA 65 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 1tg3 n ALA 65 Cb 0.29 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.58 1tg3 n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1tg3 s PHE 66 N -2.76 2.28 -0.10 0.00 -0.12 -1.26 -2.01 117.98 114.01 1tg3 s PHE 66 Ca 0.00 -0.56 -0.01 0.00 -0.05 0.00 0.00 56.93 56.31 1tg3 s PHE 66 Cb 0.00 -1.48 -0.03 0.00 -0.63 0.00 0.00 43.02 40.88 1tg3 s PHE 66 CO 0.00 -0.13 -0.05 -0.80 -0.05 0.00 0.00 175.22 174.19 1tg3 s ASN 67 N -0.34 4.76 -0.43 1.98 0.01 -0.23 -4.31 114.94 116.37 1tg3 s ASN 67 Ca 0.03 -0.04 -0.14 0.00 -0.71 0.00 0.00 52.86 52.00 1tg3 s ASN 67 Cb -0.12 -1.40 0.05 0.00 0.41 0.00 0.00 41.25 40.20 1tg3 s ASN 67 CO 0.01 0.31 0.32 -0.69 -1.51 0.00 0.00 177.10 175.54 1tg3 s VAL 68 N -0.46 5.00 0.21 1.60 1.01 -0.12 -1.16 120.40 126.47 1tg3 s VAL 68 Ca 0.07 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.93 1tg3 s VAL 68 Cb -0.12 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 1tg3 s VAL 68 CO 0.02 -0.44 0.64 -1.61 0.00 0.00 0.00 175.10 173.71 1tg3 s GLU 69 N 1.61 4.05 0.25 2.72 2.02 0.12 -2.08 118.70 127.40 1tg3 s GLU 69 Ca 0.04 0.62 0.11 0.00 0.02 0.00 0.00 54.97 55.76 1tg3 s GLU 69 Cb -0.22 -2.81 -0.05 0.00 0.10 0.00 0.00 34.13 31.16 1tg3 s GLU 69 CO 0.07 0.38 -0.20 -0.06 0.02 0.00 0.00 175.26 175.47 1tg3 s PHE 70 N -1.60 2.20 -0.32 1.61 0.40 -0.37 -0.19 117.98 119.71 1tg3 s PHE 70 Ca 0.43 -0.37 -0.29 0.00 -0.60 0.00 0.00 56.93 56.10 1tg3 s PHE 70 Cb -0.14 -0.99 0.01 0.00 0.51 0.00 0.00 43.02 42.40 1tg3 s PHE 70 CO 0.20 0.61 1.21 0.34 0.70 0.00 0.00 175.22 178.28 1tg3 s ASP 71 N -3.27 6.76 -0.34 1.36 2.15 -0.33 -4.82 116.67 118.17 1tg3 s ASP 71 Ca 0.26 1.10 0.07 0.00 0.43 0.00 0.00 52.55 54.41 1tg3 s ASP 71 Cb -0.05 -2.54 0.47 0.00 -0.30 0.00 0.00 42.92 40.50 1tg3 s ASP 71 CO 0.13 -1.02 1.41 -0.90 -0.17 0.00 0.00 175.17 174.61 1tg3 n ASP 72 N 7.38 4.15 -0.12 -0.34 5.75 -1.26 -4.61 116.55 127.50 1tg3 n ASP 72 Ca 0.14 -3.79 0.13 0.00 -0.01 0.00 0.00 54.79 51.25 1tg3 n ASP 72 Cb 0.47 -0.56 0.38 0.00 -1.03 0.00 0.00 41.12 40.38 1tg3 n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1tg3 n SER 73 N -0.93 0.68 -3.93 -1.12 3.41 -1.26 -4.91 113.62 105.55 1tg3 n SER 73 Ca 0.41 -0.51 -0.09 0.00 -0.26 0.00 0.00 58.87 58.42 1tg3 n SER 73 Cb 0.92 0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.92 1tg3 n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1tg3 s GLN 74 N -2.72 1.41 -1.36 4.33 -0.21 -1.26 -5.06 119.66 114.79 1tg3 s GLN 74 Ca 0.19 -1.14 -0.13 0.00 0.02 0.00 0.00 55.36 54.29 1tg3 s GLN 74 Cb 0.19 0.46 -0.03 0.00 1.00 0.00 0.00 33.01 34.62 1tg3 s GLN 74 CO 0.58 -0.57 2.37 -0.25 -2.12 0.00 0.00 175.29 175.30 1tg3 n ASP 75 N -0.33 5.04 -0.01 5.90 8.00 -1.26 -4.55 116.55 129.34 1tg3 n ASP 75 Ca -0.05 -2.70 -0.20 0.00 0.71 0.00 0.00 54.79 52.54 1tg3 n ASP 75 Cb 0.62 -1.51 -0.14 0.00 -0.02 0.00 0.00 41.12 40.08 1tg3 n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1tg3 h LYS 76 N 6.04 0.20 -4.13 -1.24 1.57 -1.86 -3.44 116.57 113.70 1tg3 h LYS 76 Ca 0.62 -0.33 -0.59 0.00 -1.87 0.00 0.00 60.65 58.48 1tg3 h LYS 76 Cb 0.51 0.12 -0.39 0.00 0.08 0.00 0.00 32.23 32.56 1tg3 h LYS 76 CO 1.84 1.16 -0.77 0.00 -0.57 0.00 0.00 179.45 181.11 1tg3 s ALA 77 N -2.42 1.80 0.15 3.86 0.00 -1.26 -3.63 121.76 120.26 1tg3 s ALA 77 Ca -0.20 -1.37 0.05 0.00 0.00 0.00 0.00 51.96 50.45 1tg3 s ALA 77 Cb 0.03 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 1tg3 s ALA 77 CO 0.75 -1.29 -0.11 0.14 0.00 0.00 0.00 175.76 175.25 1tg3 s VAL 78 N 1.47 1.27 -0.09 0.00 -7.23 -0.55 -1.21 120.40 114.06 1tg3 s VAL 78 Ca -0.02 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.15 1tg3 s VAL 78 Cb -0.18 -1.83 -0.00 0.00 0.56 0.00 0.00 36.38 34.92 1tg3 s VAL 78 CO -0.09 -0.69 -0.23 -0.22 -0.31 0.00 0.00 175.10 173.56 1tg3 s LEU 79 N -3.10 2.05 0.30 1.32 2.96 0.34 -1.49 118.68 121.06 1tg3 s LEU 79 Ca 0.17 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 1tg3 s LEU 79 Cb 0.01 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.32 1tg3 s LEU 79 CO 0.02 0.17 0.29 -0.54 -1.32 0.00 0.00 176.35 174.97 1tg3 s LYS 80 N 0.24 1.66 2.38 1.98 1.02 -0.51 -1.94 119.74 124.57 1tg3 s LYS 80 Ca -0.15 -1.86 0.00 0.00 0.02 0.00 0.00 55.97 53.98 1tg3 s LYS 80 Cb -0.17 0.34 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 1tg3 s LYS 80 CO 0.07 -0.62 0.00 0.41 -0.92 0.00 0.00 175.35 174.29 1tg3 n GLY 81 N -0.53 -0.78 7.00 -3.33 0.00 -1.26 -0.87 105.19 105.43 1tg3 n GLY 81 Ca 0.05 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1tg3 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tg3 n GLY 82 N 0.00 2.93 0.50 -0.02 0.00 -0.99 -1.58 105.19 106.04 1tg3 n GLY 82 Ca 0.00 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.79 1tg3 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tg3 n PRO 83 N 13.84 1.67 -2.94 1.61 -0.04 -1.26 -3.65 135.00 144.23 1tg3 n PRO 83 Ca 0.00 -1.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.11 1tg3 n PRO 83 Cb 0.00 -1.43 -0.06 0.00 -0.04 0.00 0.00 33.50 31.97 1tg3 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1tg3 s LEU 84 N -1.74 4.24 -0.28 1.53 1.43 -0.61 -5.06 118.68 118.18 1tg3 s LEU 84 Ca 0.35 1.59 0.01 0.00 -1.03 0.00 0.00 54.13 55.05 1tg3 s LEU 84 Cb 0.19 -3.96 0.06 0.00 0.03 0.00 0.00 46.19 42.50 1tg3 s LEU 84 CO 0.29 -0.10 -0.05 -1.81 0.23 0.00 0.00 176.35 174.91 1tg3 s ASP 85 N -1.81 4.68 0.00 2.29 1.01 -1.26 -4.39 116.67 117.20 1tg3 s ASP 85 Ca 0.50 -1.36 0.00 0.00 0.71 0.00 0.00 52.55 52.41 1tg3 s ASP 85 Cb -0.15 -1.63 0.00 0.00 1.01 0.00 0.00 42.92 42.14 1tg3 s ASP 85 CO 0.20 -0.23 0.00 0.61 0.21 0.00 0.00 175.17 175.96 1tg3 n GLY 86 N 4.52 -1.09 3.56 0.21 0.00 -1.26 -5.01 105.19 106.12 1tg3 n GLY 86 Ca -0.13 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.36 1tg3 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tg3 s THR 87 N -0.24 4.13 -0.16 2.61 2.01 -1.26 -4.60 115.64 118.13 1tg3 s THR 87 Ca 0.00 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1tg3 s THR 87 Cb 0.00 -2.80 0.00 0.00 0.01 0.00 0.00 72.50 69.71 1tg3 s THR 87 CO 0.00 0.51 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.96 1tg3 s TYR 88 N 0.09 2.76 -0.03 4.92 1.51 -0.82 -1.44 117.35 124.35 1tg3 s TYR 88 Ca 0.01 -1.22 -0.18 0.00 -1.01 0.00 0.00 57.07 54.67 1tg3 s TYR 88 Cb -0.13 -1.89 -0.05 0.00 -0.11 0.00 0.00 41.96 39.77 1tg3 s TYR 88 CO 0.02 -0.58 0.50 1.03 -1.11 0.00 0.00 175.55 175.41 1tg3 s ARG 89 N 0.95 4.19 0.09 -0.62 0.52 -0.10 -0.50 118.95 123.48 1tg3 s ARG 89 Ca -0.03 0.55 -0.31 0.00 -0.52 0.00 0.00 55.73 55.42 1tg3 s ARG 89 Cb -0.15 -3.32 -0.07 0.00 0.52 0.00 0.00 34.95 31.93 1tg3 s ARG 89 CO -0.03 0.44 1.31 -1.17 0.02 0.00 0.00 175.30 175.88 1tg3 s LEU 90 N -0.35 4.37 -0.08 2.53 2.96 -0.35 -0.99 118.68 126.77 1tg3 s LEU 90 Ca 0.27 2.21 0.02 0.00 -0.22 0.00 0.00 54.13 56.41 1tg3 s LEU 90 Cb -0.17 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.87 1tg3 s LEU 90 CO 0.14 -0.58 -0.05 0.00 -1.32 0.00 0.00 176.35 174.54 1tg3 n ILE 91 N 3.92 0.49 -3.52 6.68 3.06 -0.33 -4.56 119.36 125.10 1tg3 n ILE 91 Ca 0.10 -0.22 -0.08 0.00 -2.50 0.00 0.00 62.75 60.05 1tg3 n ILE 91 Cb 0.44 -0.81 -0.02 0.00 0.54 0.00 0.00 39.64 39.79 1tg3 n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1tg3 s GLN 92 N -2.17 0.94 0.05 9.51 1.03 -1.23 -1.23 119.66 126.56 1tg3 s GLN 92 Ca -0.09 -0.37 0.02 0.00 0.04 0.00 0.00 55.36 54.96 1tg3 s GLN 92 Cb 0.03 0.41 -0.03 0.00 0.03 0.00 0.00 33.01 33.45 1tg3 s GLN 92 CO 0.22 -0.41 -0.08 -0.59 -2.54 0.00 0.00 175.29 171.89 1tg3 s PHE 93 N -3.23 0.75 0.29 9.60 -0.12 -0.88 -1.00 117.98 123.38 1tg3 s PHE 93 Ca 0.05 -0.58 -0.14 0.00 -0.05 0.00 0.00 56.93 56.22 1tg3 s PHE 93 Cb -0.01 -0.44 0.01 0.00 -0.63 0.00 0.00 43.02 41.95 1tg3 s PHE 93 CO -0.08 -0.09 0.59 -3.38 -0.05 0.00 0.00 175.22 172.21 1tg3 s HIS 94 N -1.80 0.30 0.31 3.49 -3.43 -0.70 -0.95 115.29 112.52 1tg3 s HIS 94 Ca -0.05 -0.72 0.05 0.00 -0.80 0.00 0.00 55.06 53.54 1tg3 s HIS 94 Cb -0.07 0.38 -0.06 0.00 -1.43 0.00 0.00 32.58 31.40 1tg3 s HIS 94 CO -0.00 -1.18 0.00 -0.06 -2.00 0.00 0.00 174.74 171.50 1tg3 s PHE 95 N -3.54 2.02 -0.04 0.38 0.40 -1.26 -0.56 117.98 115.37 1tg3 s PHE 95 Ca 0.20 -0.81 0.02 0.00 -0.60 0.00 0.00 56.93 55.73 1tg3 s PHE 95 Cb -0.03 -1.27 0.01 0.00 0.51 0.00 0.00 43.02 42.25 1tg3 s PHE 95 CO 0.11 0.17 -0.08 -1.01 0.70 0.00 0.00 175.22 175.11 1tg3 s HIS 96 N -3.11 1.00 0.26 0.36 3.76 -0.53 -4.77 115.29 112.27 1tg3 s HIS 96 Ca 0.33 -0.30 -0.05 0.00 -0.15 0.00 0.00 55.06 54.89 1tg3 s HIS 96 Cb 0.07 -0.78 -0.02 0.00 1.11 0.00 0.00 32.58 32.97 1tg3 s HIS 96 CO 0.14 -0.18 0.35 1.67 -0.85 0.00 0.00 174.74 175.86 1tg3 s TRP 97 N 0.60 0.87 0.42 1.40 -2.14 -1.23 -1.43 118.94 117.43 1tg3 s TRP 97 Ca -0.10 -1.13 0.03 0.00 2.66 0.00 0.00 56.10 57.56 1tg3 s TRP 97 Cb -0.13 -0.18 0.03 0.00 -3.10 0.00 0.00 33.47 30.09 1tg3 s TRP 97 CO 0.01 -0.90 0.27 0.41 -2.66 0.00 0.00 176.95 174.09 1tg3 n GLY 98 N -0.40 2.95 0.08 3.67 0.00 -1.19 -0.91 105.19 109.38 1tg3 n GLY 98 Ca 0.01 -2.28 0.12 0.00 0.00 0.00 0.00 46.02 43.87 1tg3 n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tg3 h SER 99 N 0.57 0.00 -4.80 1.61 4.64 -1.89 -3.38 113.55 110.30 1tg3 h SER 99 Ca -0.28 -0.17 -0.21 0.00 -0.47 0.00 0.00 61.79 60.66 1tg3 h SER 99 Cb 0.98 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.90 1tg3 h SER 99 CO 0.44 0.08 -0.70 -0.76 -0.87 0.00 0.00 176.83 175.02 1tg3 s LEU 100 N -4.48 2.41 0.63 5.97 1.43 -1.26 -5.05 118.68 118.33 1tg3 s LEU 100 Ca 0.05 -0.83 0.41 0.00 -1.03 0.00 0.00 54.13 52.74 1tg3 s LEU 100 Cb 0.12 -0.03 2.10 0.00 0.03 0.00 0.00 46.19 48.41 1tg3 s LEU 100 CO 0.73 -0.40 2.25 0.44 0.23 0.00 0.00 176.35 179.59 1tg3 h ASP 101 N 3.59 0.00 0.00 2.29 3.32 -1.92 -2.81 116.42 120.89 1tg3 h ASP 101 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1tg3 h ASP 101 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1tg3 h ASP 101 CO 0.56 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.69 1tg3 n GLY 102 N -0.75 -0.97 3.45 2.75 0.00 -1.26 -3.64 105.19 104.77 1tg3 n GLY 102 Ca -0.02 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 1tg3 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1tg3 s GLN 103 N -2.00 1.30 0.00 1.61 -2.07 -1.06 -4.70 119.66 112.73 1tg3 s GLN 103 Ca 0.46 -1.02 0.00 0.00 -1.82 0.00 0.00 55.36 52.98 1tg3 s GLN 103 Cb 0.21 0.46 0.00 0.00 -1.09 0.00 0.00 33.01 32.59 1tg3 s GLN 103 CO 0.36 -0.52 0.00 0.41 -1.32 0.00 0.00 175.29 174.22 1tg3 n GLY 104 N -0.29 2.94 3.81 2.60 0.00 -1.04 -3.21 105.19 110.00 1tg3 n GLY 104 Ca -0.08 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 1tg3 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tg3 s SER 105 N 0.00 5.54 -0.20 1.61 1.04 -0.46 -3.56 113.70 117.67 1tg3 s SER 105 Ca 0.00 1.70 -0.17 0.00 0.48 0.00 0.00 55.95 57.96 1tg3 s SER 105 Cb 0.00 -2.51 -0.13 0.00 0.10 0.00 0.00 66.02 63.48 1tg3 s SER 105 CO 0.00 -1.33 -0.00 -0.62 0.98 0.00 0.00 173.24 172.26 1tg3 n GLU 106 N -2.67 0.54 -2.09 4.02 1.02 -1.26 -4.84 120.64 115.36 1tg3 n GLU 106 Ca 0.08 0.50 -0.32 0.00 -0.02 0.00 0.00 57.16 57.40 1tg3 n GLU 106 Cb 0.53 -1.68 -0.01 0.00 -0.02 0.00 0.00 31.44 30.27 1tg3 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1tg3 s HIS 107 N -2.38 3.43 0.10 -0.32 3.76 -1.26 -4.40 115.29 114.22 1tg3 s HIS 107 Ca -0.26 1.40 0.04 0.00 -0.15 0.00 0.00 55.06 56.09 1tg3 s HIS 107 Cb 0.06 -2.80 -0.04 0.00 1.11 0.00 0.00 32.58 30.91 1tg3 s HIS 107 CO 0.47 -0.65 -0.11 0.95 -0.85 0.00 0.00 174.74 174.55 1tg3 s THR 108 N -2.84 1.04 -0.25 1.30 -4.23 -1.20 -4.71 115.64 104.75 1tg3 s THR 108 Ca 0.58 -1.67 0.02 0.00 -1.18 0.00 0.00 61.69 59.44 1tg3 s THR 108 Cb -0.11 -1.41 0.05 0.00 1.34 0.00 0.00 72.50 72.36 1tg3 s THR 108 CO 0.42 -0.53 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.17 1tg3 s VAL 109 N -2.39 2.28 -1.41 2.29 1.01 -0.93 0.07 120.40 121.32 1tg3 s VAL 109 Ca 0.06 -1.43 -0.05 0.00 0.00 0.00 0.00 61.98 60.56 1tg3 s VAL 109 Cb -0.03 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.13 1tg3 s VAL 109 CO 0.01 0.09 0.75 0.47 0.00 0.00 0.00 175.10 176.42 1tg3 n ASP 110 N 4.50 -2.30 0.00 3.32 8.00 0.20 -0.77 116.55 129.51 1tg3 n ASP 110 Ca -0.15 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1tg3 n ASP 110 Cb 0.44 -3.79 0.00 0.00 -0.02 0.00 0.00 41.12 37.75 1tg3 n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1tg3 n LYS 111 N -4.43 0.00 -2.49 -1.24 4.76 -1.26 -4.97 118.16 108.52 1tg3 n LYS 111 Ca -0.18 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.84 1tg3 n LYS 111 Cb 0.62 -3.30 -0.03 0.00 -1.84 0.00 0.00 35.03 30.48 1tg3 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1tg3 s LYS 112 N -0.37 4.42 -0.04 1.97 2.20 0.05 -5.00 119.74 122.97 1tg3 s LYS 112 Ca 0.00 1.67 -0.06 0.00 -0.36 0.00 0.00 55.97 57.22 1tg3 s LYS 112 Cb 0.00 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1tg3 s LYS 112 CO 0.00 -0.31 0.21 0.15 -0.36 0.00 0.00 175.35 175.04 1tg3 s LYS 113 N 1.57 3.51 0.36 4.03 1.02 -1.26 -2.19 119.74 126.78 1tg3 s LYS 113 Ca 0.56 -0.14 0.07 0.00 0.02 0.00 0.00 55.97 56.49 1tg3 s LYS 113 Cb -0.26 -3.13 -0.02 0.00 -0.52 0.00 0.00 37.83 33.90 1tg3 s LYS 113 CO 0.26 0.70 0.34 0.71 -0.92 0.00 0.00 175.35 176.43 1tg3 s TYR 114 N -1.21 2.87 0.36 3.18 2.02 -1.26 -4.75 117.35 118.56 1tg3 s TYR 114 Ca 0.23 -0.34 0.22 0.00 -0.37 0.00 0.00 57.07 56.81 1tg3 s TYR 114 Cb -0.13 -1.92 1.13 0.00 -0.40 0.00 0.00 41.96 40.64 1tg3 s TYR 114 CO 0.13 0.07 1.96 0.00 -1.57 0.00 0.00 175.55 176.14 1tg3 h ALA 115 N 1.14 1.29 -2.50 3.71 0.00 -1.48 -1.15 119.26 120.28 1tg3 h ALA 115 Ca -0.44 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.43 1tg3 h ALA 115 Cb 1.26 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1tg3 h ALA 115 CO 0.57 0.27 0.42 0.00 0.00 0.00 0.00 179.25 180.51 1tg3 s ALA 116 N -4.12 -1.55 -0.06 0.00 0.00 -1.17 -3.20 121.76 111.66 1tg3 s ALA 116 Ca -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.93 1tg3 s ALA 116 Cb 0.13 0.69 0.04 0.00 0.00 0.00 0.00 23.12 23.98 1tg3 s ALA 116 CO 0.64 -1.04 0.13 -2.00 0.00 0.00 0.00 175.76 173.49 1tg3 s GLU 117 N -3.44 0.07 -0.14 0.00 2.12 -0.51 -1.47 118.70 115.33 1tg3 s GLU 117 Ca 0.12 0.35 -0.12 0.00 0.36 0.00 0.00 54.97 55.69 1tg3 s GLU 117 Cb -0.02 -0.20 -0.05 0.00 0.26 0.00 0.00 34.13 34.12 1tg3 s GLU 117 CO 0.03 -0.17 0.25 -1.17 -0.54 0.00 0.00 175.26 173.66 1tg3 s LEU 118 N 1.22 4.30 -0.19 2.70 2.96 0.54 -1.45 118.68 128.77 1tg3 s LEU 118 Ca -0.08 0.52 0.01 0.00 -0.22 0.00 0.00 54.13 54.36 1tg3 s LEU 118 Cb -0.12 -2.29 0.03 0.00 0.50 0.00 0.00 46.19 44.31 1tg3 s LEU 118 CO -0.06 0.21 -0.16 -1.00 -1.32 0.00 0.00 176.35 174.02 1tg3 s HIS 119 N -0.09 2.74 -0.37 5.38 3.76 0.27 -1.39 115.29 125.59 1tg3 s HIS 119 Ca 0.16 -1.71 -0.12 0.00 -0.15 0.00 0.00 55.06 53.24 1tg3 s HIS 119 Cb -0.13 -1.84 0.02 0.00 1.11 0.00 0.00 32.58 31.73 1tg3 s HIS 119 CO 0.04 -0.80 0.22 -0.51 -0.85 0.00 0.00 174.74 172.85 1tg3 s LEU 120 N 1.30 4.69 -0.16 0.89 1.43 -0.56 -1.73 118.68 124.53 1tg3 s LEU 120 Ca 0.02 -0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 52.12 1tg3 s LEU 120 Cb -0.15 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1tg3 s LEU 120 CO -0.11 -0.35 0.40 -0.69 0.23 0.00 0.00 176.35 175.84 1tg3 s VAL 121 N 1.61 5.22 0.06 -1.59 1.01 -0.17 -1.29 120.40 125.25 1tg3 s VAL 121 Ca 0.04 0.77 0.06 0.00 0.00 0.00 0.00 61.98 62.84 1tg3 s VAL 121 Cb -0.19 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1tg3 s VAL 121 CO 0.08 0.31 -0.16 -1.00 0.00 0.00 0.00 175.10 174.33 1tg3 s HIS 122 N 0.83 1.38 0.07 5.22 3.76 -0.66 -1.18 115.29 124.71 1tg3 s HIS 122 Ca 0.21 -0.40 0.10 0.00 -0.15 0.00 0.00 55.06 54.82 1tg3 s HIS 122 Cb -0.14 -0.79 -0.03 0.00 1.11 0.00 0.00 32.58 32.72 1tg3 s HIS 122 CO 0.08 0.08 -0.26 1.67 -0.85 0.00 0.00 174.74 175.45 1tg3 s TRP 123 N -1.03 2.28 -0.24 1.40 1.48 -0.16 -1.31 118.94 121.36 1tg3 s TRP 123 Ca 0.02 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.37 1tg3 s TRP 123 Cb -0.09 -1.33 -0.03 0.00 -1.16 0.00 0.00 33.47 30.86 1tg3 s TRP 123 CO 0.02 0.19 1.74 1.21 -4.06 0.00 0.00 176.95 176.05 1tg3 s ASN 124 N -1.50 6.15 0.65 -2.66 3.84 0.28 -0.92 114.94 120.79 1tg3 s ASN 124 Ca 0.12 1.60 0.38 0.00 0.21 0.00 0.00 52.86 55.17 1tg3 s ASN 124 Cb -0.10 -2.53 2.10 0.00 -0.55 0.00 0.00 41.25 40.17 1tg3 s ASN 124 CO 0.03 -1.45 2.23 0.71 -2.79 0.00 0.00 177.10 175.83 1tg3 h THR 125 N 6.41 0.11 -0.05 -5.21 1.35 -1.59 -1.81 112.91 112.12 1tg3 h THR 125 Ca -0.35 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.52 1tg3 h THR 125 Cb 1.17 0.90 -0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1tg3 h THR 125 CO 1.00 0.00 0.07 0.50 -0.25 0.00 0.00 175.52 176.85 1tg3 h LYS 127 N 0.00 0.00 -0.30 4.72 3.64 -1.90 -2.09 116.57 120.64 1tg3 h LYS 127 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1tg3 h LYS 127 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1tg3 h LYS 127 CO -0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 1tg3 n TYR 128 N -3.63 0.39 0.00 1.91 4.01 -0.68 -4.98 117.16 114.17 1tg3 n TYR 128 Ca -0.02 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1tg3 n TYR 128 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1tg3 n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tg3 n GLY 129 N 1.26 1.06 3.44 2.72 0.00 -0.79 -4.55 105.19 108.32 1tg3 n GLY 129 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1tg3 n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1tg3 s ASP 130 N 0.00 -0.22 0.22 1.61 1.47 -1.26 -5.05 116.67 113.44 1tg3 s ASP 130 Ca 0.00 -0.48 -0.08 0.00 1.18 0.00 0.00 52.55 53.17 1tg3 s ASP 130 Cb 0.00 0.53 0.30 0.00 -0.34 0.00 0.00 42.92 43.41 1tg3 s ASP 130 CO 0.00 -0.98 1.79 0.15 0.68 0.00 0.00 175.17 176.81 1tg3 h PHE 131 N 2.28 0.64 -0.95 2.11 3.57 -1.94 -1.86 116.94 120.78 1tg3 h PHE 131 Ca -0.31 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.30 1tg3 h PHE 131 Cb 1.26 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.75 1tg3 h PHE 131 CO 0.35 0.25 0.62 0.78 -2.23 0.00 0.00 178.31 178.08 1tg3 h GLY 132 N 0.62 1.44 1.45 2.40 0.00 -1.96 -2.12 103.07 104.90 1tg3 h GLY 132 Ca 0.33 -0.43 -0.26 0.00 0.00 0.00 0.00 47.33 46.97 1tg3 h GLY 132 CO -0.24 0.27 -1.11 0.50 0.00 0.00 0.00 176.54 175.95 1tg3 h LYS 133 N 1.04 0.46 -0.86 4.80 1.79 -1.74 -3.32 116.57 118.74 1tg3 h LYS 133 Ca 0.43 -0.59 0.03 0.00 -2.18 0.00 0.00 60.65 58.34 1tg3 h LYS 133 Cb 0.29 0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 31.08 1tg3 h LYS 133 CO -0.18 1.23 0.57 0.00 -1.08 0.00 0.00 179.45 179.98 1tg3 h ALA 134 N 0.55 1.46 0.00 3.86 0.00 -0.72 -2.21 119.26 122.19 1tg3 h ALA 134 Ca -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1tg3 h ALA 134 Cb 1.78 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1tg3 h ALA 134 CO 0.20 0.47 0.00 1.33 0.00 0.00 0.00 179.25 181.24 1tg3 n VAL 135 N -4.44 1.05 0.89 0.00 0.24 -0.86 -1.83 118.33 113.37 1tg3 n VAL 135 Ca 0.11 0.31 0.11 0.00 -2.04 0.00 0.00 64.34 62.83 1tg3 n VAL 135 Cb 0.10 -1.18 0.30 0.00 -1.47 0.00 0.00 33.84 31.59 1tg3 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1tg3 n GLN 136 N -1.83 2.02 -4.63 7.34 6.02 -0.83 -4.63 117.38 120.84 1tg3 n GLN 136 Ca 0.02 -1.54 -0.31 0.00 -0.01 0.00 0.00 57.00 55.16 1tg3 n GLN 136 Cb 0.16 -1.43 -0.12 0.00 1.02 0.00 0.00 30.24 29.86 1tg3 n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1tg3 s GLN 137 N -1.68 2.11 0.60 -1.09 -1.52 -0.76 -5.02 119.66 112.30 1tg3 s GLN 137 Ca 0.34 -0.96 0.37 0.00 -1.95 0.00 0.00 55.36 53.16 1tg3 s GLN 137 Cb 0.19 -2.22 1.92 0.00 -0.22 0.00 0.00 33.01 32.69 1tg3 s GLN 137 CO 0.28 0.54 2.21 -1.00 -0.25 0.00 0.00 175.29 177.07 1tg3 h PRO 138 N 4.51 0.00 -0.14 2.91 0.13 -1.86 -2.26 132.00 135.29 1tg3 h PRO 138 Ca -0.48 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 1tg3 h PRO 138 Cb 1.16 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.16 1tg3 h PRO 138 CO 0.48 0.03 -0.63 -0.40 -0.23 0.00 0.00 178.00 177.25 1tg3 n ASP 139 N -3.29 2.19 0.06 1.44 5.75 -1.26 -4.26 116.55 117.18 1tg3 n ASP 139 Ca -0.02 -3.63 -0.14 0.00 -0.01 0.00 0.00 54.79 50.98 1tg3 n ASP 139 Cb 0.16 -0.47 -0.05 0.00 -1.03 0.00 0.00 41.12 39.73 1tg3 n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1tg3 h GLY 140 N 1.25 0.53 -3.01 6.12 0.00 -1.29 -3.43 103.07 103.23 1tg3 h GLY 140 Ca 0.04 -0.91 -0.57 0.00 0.00 0.00 0.00 47.33 45.89 1tg3 h GLY 140 CO 0.15 0.80 -0.79 1.08 0.00 0.00 0.00 176.54 177.78 1tg3 s LEU 141 N -7.84 2.47 -0.15 3.11 1.43 0.29 -0.55 118.68 117.44 1tg3 s LEU 141 Ca -0.07 -0.91 -0.02 0.00 -1.03 0.00 0.00 54.13 52.10 1tg3 s LEU 141 Cb 0.09 -0.96 0.05 0.00 0.03 0.00 0.00 46.19 45.39 1tg3 s LEU 141 CO 0.88 0.01 0.02 0.00 0.23 0.00 0.00 176.35 177.49 1tg3 s ALA 142 N -2.10 0.90 -0.17 4.21 0.00 -0.43 -1.08 121.76 123.10 1tg3 s ALA 142 Ca 0.20 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 1tg3 s ALA 142 Cb -0.06 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 1tg3 s ALA 142 CO 0.09 -0.88 -0.03 0.08 0.00 0.00 0.00 175.76 175.02 1tg3 s VAL 143 N 1.90 3.90 -0.24 0.00 1.01 -1.11 -1.65 120.40 124.20 1tg3 s VAL 143 Ca 0.02 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 1tg3 s VAL 143 Cb -0.15 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1tg3 s VAL 143 CO -0.07 0.47 0.43 -0.22 0.00 0.00 0.00 175.10 175.72 1tg3 s LEU 144 N 0.55 4.08 -0.14 3.92 2.96 -0.41 -1.38 118.68 128.26 1tg3 s LEU 144 Ca -0.02 0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 54.30 1tg3 s LEU 144 Cb -0.14 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.98 1tg3 s LEU 144 CO 0.02 -0.19 -0.03 -0.83 -1.32 0.00 0.00 176.35 174.01 1tg3 s GLY 145 N 1.42 1.75 -0.07 7.98 0.00 0.12 -1.50 107.32 117.02 1tg3 s GLY 145 Ca 0.19 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 44.11 1tg3 s GLY 145 CO 0.09 -0.16 -0.11 -0.42 0.00 0.00 0.00 173.10 172.49 1tg3 s ILE 146 N 0.12 1.10 0.30 0.90 1.01 -0.48 -0.97 121.20 123.18 1tg3 s ILE 146 Ca -0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 60.65 60.01 1tg3 s ILE 146 Cb -0.13 -1.02 -0.09 0.00 0.01 0.00 0.00 42.46 41.22 1tg3 s ILE 146 CO 0.02 0.35 0.79 -0.36 0.00 0.00 0.00 174.94 175.75 1tg3 s PHE 147 N 0.79 3.50 -0.10 3.97 0.08 -1.26 -0.34 117.98 124.63 1tg3 s PHE 147 Ca -0.12 1.41 0.03 0.00 0.12 0.00 0.00 56.93 58.37 1tg3 s PHE 147 Cb -0.15 -2.66 -0.01 0.00 -0.57 0.00 0.00 43.02 39.63 1tg3 s PHE 147 CO 0.02 0.17 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.58 1tg3 s LEU 148 N -2.53 2.25 0.17 -0.37 1.02 -0.54 -0.93 118.68 117.75 1tg3 s LEU 148 Ca 0.51 -0.49 0.11 0.00 0.02 0.00 0.00 54.13 54.28 1tg3 s LEU 148 Cb -0.13 -1.45 -0.04 0.00 0.02 0.00 0.00 46.19 44.58 1tg3 s LEU 148 CO 0.19 0.18 -0.24 -1.59 0.02 0.00 0.00 176.35 174.91 1tg3 s LYS 149 N 0.22 1.45 -0.11 1.70 -2.85 -0.55 -2.04 119.74 117.56 1tg3 s LYS 149 Ca -0.13 -1.46 -0.25 0.00 -1.00 0.00 0.00 55.97 53.13 1tg3 s LYS 149 Cb -0.17 -1.80 -0.03 0.00 -2.06 0.00 0.00 37.83 33.78 1tg3 s LYS 149 CO 0.07 0.40 0.79 0.08 0.10 0.00 0.00 175.35 176.79 1tg3 s VAL 150 N -1.52 4.95 0.00 1.79 1.01 -1.26 -1.51 120.40 123.86 1tg3 s VAL 150 Ca 0.18 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1tg3 s VAL 150 Cb -0.08 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1tg3 s VAL 150 CO 0.08 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.92 1tg3 n GLY 151 N 3.29 0.03 3.82 4.51 0.00 0.33 -4.90 105.19 112.27 1tg3 n GLY 151 Ca 0.02 0.54 -0.33 0.00 0.00 0.00 0.00 46.02 46.25 1tg3 n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tg3 s SER 152 N 2.00 6.54 0.57 1.61 0.01 -1.26 -4.11 113.70 119.06 1tg3 s SER 152 Ca 0.00 1.72 -0.18 0.00 1.31 0.00 0.00 55.95 58.80 1tg3 s SER 152 Cb 0.00 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 1tg3 s SER 152 CO 0.00 -0.64 1.11 0.00 0.41 0.00 0.00 173.24 174.12 1tg3 s ALA 153 N -2.33 2.66 -0.39 1.44 0.00 -1.26 -2.18 121.76 119.70 1tg3 s ALA 153 Ca 0.62 0.70 -0.08 0.00 0.00 0.00 0.00 51.96 53.20 1tg3 s ALA 153 Cb -0.12 -3.33 0.07 0.00 0.00 0.00 0.00 23.12 19.74 1tg3 s ALA 153 CO 0.24 -0.86 0.21 0.21 0.00 0.00 0.00 175.76 175.56 1tg3 s LYS 154 N -3.55 2.58 0.22 0.00 2.47 -1.24 -4.80 119.74 115.42 1tg3 s LYS 154 Ca 0.70 -1.38 -0.09 0.00 -1.56 0.00 0.00 55.97 53.64 1tg3 s LYS 154 Cb -0.22 -3.67 0.32 0.00 -1.46 0.00 0.00 37.83 32.80 1tg3 s LYS 154 CO 0.31 -0.86 1.70 -1.35 0.16 0.00 0.00 175.35 175.30 1tg3 h PRO 155 N 8.33 0.24 0.00 4.03 0.11 -1.92 -1.71 132.00 141.07 1tg3 h PRO 155 Ca -0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1tg3 h PRO 155 Cb 1.08 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1tg3 h PRO 155 CO 0.70 0.16 0.00 0.41 -0.21 0.00 0.00 178.00 179.06 1tg3 n GLY 156 N -1.33 -0.58 0.02 -0.55 0.00 -1.26 -2.01 105.19 99.48 1tg3 n GLY 156 Ca 0.10 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1tg3 n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1tg3 n LEU 157 N -1.41 0.15 -0.28 0.99 7.94 -0.65 -4.54 117.00 119.20 1tg3 n LEU 157 Ca 0.02 0.02 0.11 0.00 -1.11 0.00 0.00 56.01 55.05 1tg3 n LEU 157 Cb 0.05 -0.01 0.36 0.00 0.53 0.00 0.00 43.42 44.35 1tg3 n LEU 157 CO 0.04 -0.01 1.22 -0.61 -1.11 0.00 0.00 177.39 176.92 1tg3 h GLN 158 N 0.00 0.70 -0.21 1.96 5.75 -1.42 -0.84 115.11 121.04 1tg3 h GLN 158 Ca 0.00 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1tg3 h GLN 158 Cb 0.98 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 1tg3 h GLN 158 CO 0.00 0.47 0.07 0.87 -2.65 0.00 0.00 178.83 177.59 1tg3 h LYS 159 N 0.73 0.29 -0.09 1.69 1.57 -1.80 -1.05 116.57 117.91 1tg3 h LYS 159 Ca 0.45 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 59.08 1tg3 h LYS 159 Cb 0.68 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1tg3 h LYS 159 CO -0.21 0.26 -0.39 0.28 -0.57 0.00 0.00 179.45 178.82 1tg3 h VAL 160 N 0.30 1.39 -0.29 0.50 2.07 -1.46 -3.27 116.25 115.48 1tg3 h VAL 160 Ca 0.08 -1.75 -0.08 0.00 0.82 0.00 0.00 66.70 65.77 1tg3 h VAL 160 Cb 0.08 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1tg3 h VAL 160 CO -0.01 0.51 -0.15 -0.37 0.02 0.00 0.00 177.57 177.58 1tg3 h VAL 161 N -0.02 1.24 0.00 2.57 -1.51 -1.10 -2.99 116.25 114.44 1tg3 h VAL 161 Ca -0.02 -1.07 -0.02 0.00 -1.23 0.00 0.00 66.70 64.35 1tg3 h VAL 161 Cb 1.03 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1tg3 h VAL 161 CO 0.08 0.35 -0.10 0.44 -1.23 0.00 0.00 177.57 177.11 1tg3 h ASP 162 N 0.47 0.00 0.19 4.19 3.32 -1.26 -2.97 116.42 120.35 1tg3 h ASP 162 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1tg3 h ASP 162 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1tg3 h ASP 162 CO 0.03 0.10 -0.48 1.33 -1.72 0.00 0.00 179.24 178.50 1tg3 n VAL 163 N -3.31 0.00 0.11 -1.35 0.24 -1.13 -4.32 118.33 108.57 1tg3 n VAL 163 Ca -0.00 -0.12 0.14 0.00 -2.04 0.00 0.00 64.34 62.32 1tg3 n VAL 163 Cb 0.31 0.69 0.65 0.00 -1.47 0.00 0.00 33.84 34.01 1tg3 n VAL 163 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1tg3 h LEU 164 N 1.09 0.03 -1.78 1.34 3.38 -1.52 -1.19 115.31 116.65 1tg3 h LEU 164 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1tg3 h LEU 164 Cb 0.57 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1tg3 h LEU 164 CO 0.00 0.02 0.05 0.44 0.09 0.00 0.00 178.44 179.04 1tg3 h ASP 165 N 0.03 0.17 1.03 -0.43 3.32 -1.80 -2.17 116.42 116.57 1tg3 h ASP 165 Ca 0.14 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1tg3 h ASP 165 Cb 0.51 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1tg3 h ASP 165 CO -0.01 0.16 0.00 -1.54 -1.72 0.00 0.00 179.24 176.14 1tg3 n SER 166 N -4.47 0.10 -2.48 6.45 3.41 -0.45 -3.63 113.62 112.55 1tg3 n SER 166 Ca -0.01 0.51 -0.12 0.00 -0.26 0.00 0.00 58.87 58.99 1tg3 n SER 166 Cb 0.12 -0.54 0.03 0.00 -0.26 0.00 0.00 64.21 63.56 1tg3 n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1tg3 n ILE 167 N -1.59 1.82 -0.33 -1.33 -5.35 -0.83 -4.72 119.36 107.02 1tg3 n ILE 167 Ca 0.07 -3.60 0.01 0.00 -0.27 0.00 0.00 62.75 58.96 1tg3 n ILE 167 Cb 0.34 0.09 0.15 0.00 -1.74 0.00 0.00 39.64 38.49 1tg3 n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1tg3 h LYS 168 N 2.48 1.02 -6.20 6.28 3.64 -1.58 -3.42 116.57 118.80 1tg3 h LYS 168 Ca 0.10 -0.06 -0.51 0.00 -1.27 0.00 0.00 60.65 58.91 1tg3 h LYS 168 Cb 1.34 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.88 1tg3 h LYS 168 CO 0.49 0.68 -0.53 0.95 -2.27 0.00 0.00 179.45 178.77 1tg3 s THR 169 N -6.06 4.30 0.26 1.00 -4.23 -1.26 -0.86 115.64 108.78 1tg3 s THR 169 Ca -0.13 -1.44 -0.31 0.00 -1.18 0.00 0.00 61.69 58.63 1tg3 s THR 169 Cb 0.19 -3.34 -0.13 0.00 1.34 0.00 0.00 72.50 70.56 1tg3 s THR 169 CO 0.80 -0.34 1.49 1.17 -0.54 0.00 0.00 174.62 177.20 1tg3 n LYS 170 N -1.17 2.30 0.00 3.99 4.81 -0.15 -2.33 118.16 125.62 1tg3 n LYS 170 Ca -0.07 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1tg3 n LYS 170 Cb 0.58 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 33.10 1tg3 n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tg3 n GLY 171 N 2.25 3.34 3.76 3.14 0.00 0.92 -4.47 105.19 114.13 1tg3 n GLY 171 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1tg3 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tg3 s LYS 172 N -0.91 4.68 0.05 1.61 -0.14 -0.98 -4.86 119.74 119.20 1tg3 s LYS 172 Ca 0.00 1.64 -0.00 0.00 -1.36 0.00 0.00 55.97 56.25 1tg3 s LYS 172 Cb 0.00 -3.15 -0.04 0.00 -1.68 0.00 0.00 37.83 32.96 1tg3 s LYS 172 CO 0.00 0.30 -0.04 -1.54 -0.76 0.00 0.00 175.35 173.31 1tg3 s SER 173 N -1.08 0.56 -0.02 2.83 1.04 -1.26 -0.82 113.70 114.95 1tg3 s SER 173 Ca 0.44 -0.91 -0.13 0.00 0.48 0.00 0.00 55.95 55.83 1tg3 s SER 173 Cb -0.28 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.02 1tg3 s SER 173 CO 0.36 -0.52 0.28 0.00 0.98 0.00 0.00 173.24 174.33 1tg3 s ALA 174 N -3.44 -0.70 0.33 5.32 0.00 -0.41 -4.94 121.76 117.91 1tg3 s ALA 174 Ca 0.04 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 1tg3 s ALA 174 Cb 0.04 0.04 -0.11 0.00 0.00 0.00 0.00 23.12 23.10 1tg3 s ALA 174 CO -0.08 -0.24 1.51 -0.51 0.00 0.00 0.00 175.76 176.44 1tg3 s ASP 175 N -1.24 6.42 -0.44 0.00 1.01 -1.26 -1.77 116.67 119.39 1tg3 s ASP 175 Ca -0.13 2.95 0.06 0.00 0.71 0.00 0.00 52.55 56.13 1tg3 s ASP 175 Cb -0.05 -2.65 0.20 0.00 1.01 0.00 0.00 42.92 41.42 1tg3 s ASP 175 CO 0.04 -0.84 0.50 0.33 0.21 0.00 0.00 175.17 175.41 1tg3 n PHE 176 N 1.29 -1.66 -3.91 4.23 7.35 -0.62 -4.78 117.46 119.36 1tg3 n PHE 176 Ca 0.04 -2.80 -0.21 0.00 -0.76 0.00 0.00 57.45 53.71 1tg3 n PHE 176 Cb 0.39 0.52 -0.02 0.00 0.35 0.00 0.00 39.48 40.72 1tg3 n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1tg3 s THR 177 N 0.05 5.21 -1.51 -2.13 -4.23 -1.26 -3.12 115.64 108.64 1tg3 s THR 177 Ca 0.33 -0.95 -0.04 0.00 -1.18 0.00 0.00 61.69 59.85 1tg3 s THR 177 Cb 0.07 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 70.07 1tg3 s THR 177 CO -0.15 -0.34 0.49 0.59 -0.54 0.00 0.00 174.62 174.66 1tg3 n ASN 178 N -1.45 -5.87 -4.70 3.99 4.13 -1.26 -4.98 115.26 105.13 1tg3 n ASN 178 Ca -0.08 -0.23 -0.37 0.00 1.68 0.00 0.00 54.58 55.57 1tg3 n ASN 178 Cb 0.57 -4.73 -0.07 0.00 -1.54 0.00 0.00 39.78 34.01 1tg3 n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1tg3 s PHE 179 N -3.12 3.41 -0.40 3.10 5.36 -1.26 -5.02 117.98 120.04 1tg3 s PHE 179 Ca 0.24 0.59 -0.17 0.00 -0.96 0.00 0.00 56.93 56.63 1tg3 s PHE 179 Cb -0.11 -2.43 0.01 0.00 -0.34 0.00 0.00 43.02 40.16 1tg3 s PHE 179 CO 0.30 0.11 0.43 0.34 -1.46 0.00 0.00 175.22 174.94 1tg3 s ASP 180 N 0.79 6.20 0.09 6.13 -1.08 -1.26 -4.48 116.67 123.06 1tg3 s ASP 180 Ca 0.17 -0.55 0.16 0.00 -0.52 0.00 0.00 52.55 51.82 1tg3 s ASP 180 Cb -0.14 -2.22 0.69 0.00 -1.46 0.00 0.00 42.92 39.79 1tg3 s ASP 180 CO 0.06 -0.53 1.50 -0.81 0.52 0.00 0.00 175.17 175.91 1tg3 n PRO 181 N 5.57 0.06 0.30 4.34 -0.04 -1.26 -2.61 135.00 141.37 1tg3 n PRO 181 Ca -0.07 0.34 0.20 0.00 -0.04 0.00 0.00 63.50 63.93 1tg3 n PRO 181 Cb 0.48 -1.63 0.93 0.00 -0.04 0.00 0.00 33.50 33.24 1tg3 n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tg3 h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.81 114.38 114.27 1tg3 h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1tg3 h ARG 182 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1tg3 h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1tg3 n GLY 183 N -0.53 -1.03 0.78 0.04 0.00 -1.07 -3.00 105.19 100.38 1tg3 n GLY 183 Ca -0.01 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.99 1tg3 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tg3 n LEU 184 N -1.24 2.62 -4.84 0.99 4.77 -0.68 -4.46 117.00 114.16 1tg3 n LEU 184 Ca 0.13 -0.99 -0.35 0.00 -0.03 0.00 0.00 56.01 54.77 1tg3 n LEU 184 Cb 0.17 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1tg3 n LEU 184 CO 0.18 0.45 0.26 -0.76 -1.33 0.00 0.00 177.39 176.19 1tg3 s LEU 185 N -1.67 4.31 0.93 2.23 1.43 -1.16 -4.95 118.68 119.80 1tg3 s LEU 185 Ca 0.23 1.10 -0.15 0.00 -1.03 0.00 0.00 54.13 54.28 1tg3 s LEU 185 Cb 0.16 -3.37 0.17 0.00 0.03 0.00 0.00 46.19 43.18 1tg3 s LEU 185 CO 0.25 0.07 1.25 -2.16 0.23 0.00 0.00 176.35 175.99 1tg3 s PRO 186 N -2.08 0.93 0.08 1.29 0.04 -1.26 -4.98 135.00 129.01 1tg3 s PRO 186 Ca 0.40 -0.17 -0.20 0.00 0.04 0.00 0.00 61.00 61.07 1tg3 s PRO 186 Cb -0.15 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 1tg3 s PRO 186 CO 0.19 -2.26 1.55 1.49 0.04 0.00 0.00 177.00 178.02 1tg3 h GLU 187 N -1.53 0.32 -6.13 4.56 4.81 -1.93 -3.44 114.58 111.24 1tg3 h GLU 187 Ca -0.45 -0.08 -0.59 0.00 -0.13 0.00 0.00 59.36 58.11 1tg3 h GLU 187 Cb 1.28 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.58 1tg3 h GLU 187 CO 0.48 0.47 -0.30 0.45 -0.73 0.00 0.00 179.01 179.38 1tg3 s SER 188 N -5.74 6.52 -0.18 1.04 0.15 -1.26 -5.01 113.70 109.22 1tg3 s SER 188 Ca -0.14 0.63 0.17 0.00 0.70 0.00 0.00 55.95 57.31 1tg3 s SER 188 Cb 0.07 -2.11 0.52 0.00 -1.71 0.00 0.00 66.02 62.79 1tg3 s SER 188 CO 0.72 0.09 1.41 0.18 1.20 0.00 0.00 173.24 176.84 1tg3 n LEU 189 N 0.35 3.82 -4.76 3.45 4.77 -1.26 -4.74 117.00 118.62 1tg3 n LEU 189 Ca -0.04 -3.05 -0.39 0.00 -0.03 0.00 0.00 56.01 52.50 1tg3 n LEU 189 Cb 0.52 -0.54 0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1tg3 n LEU 189 CO 0.47 0.69 0.98 -1.81 -1.33 0.00 0.00 177.39 176.39 1tg3 s ASP 190 N -2.01 5.63 0.25 -1.43 1.01 -1.26 -4.76 116.67 114.10 1tg3 s ASP 190 Ca 0.42 2.74 -0.12 0.00 0.71 0.00 0.00 52.55 56.30 1tg3 s ASP 190 Cb 0.34 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.63 1tg3 s ASP 190 CO 0.08 -1.32 0.46 -0.72 0.21 0.00 0.00 175.17 173.88 1tg3 s TYR 191 N -1.30 0.42 0.05 4.23 -0.85 -1.26 -1.80 117.35 116.83 1tg3 s TYR 191 Ca 0.66 -0.78 0.09 0.00 -0.52 0.00 0.00 57.07 56.53 1tg3 s TYR 191 Cb -0.40 0.14 -0.03 0.00 0.38 0.00 0.00 41.96 42.06 1tg3 s TYR 191 CO 0.48 -0.98 -0.24 -1.58 -1.52 0.00 0.00 175.55 171.71 1tg3 s TRP 192 N -3.99 2.38 0.01 -3.49 0.51 -0.10 -0.93 118.94 113.34 1tg3 s TRP 192 Ca 0.24 -0.37 -0.00 0.00 -2.12 0.00 0.00 56.10 53.84 1tg3 s TRP 192 Cb -0.00 -1.41 -0.01 0.00 -0.81 0.00 0.00 33.47 31.24 1tg3 s TRP 192 CO 0.09 0.16 -0.02 -0.08 -0.51 0.00 0.00 176.95 176.60 1tg3 s THR 193 N -0.84 0.07 0.16 2.01 -1.32 0.31 -0.78 115.64 115.26 1tg3 s THR 193 Ca 0.12 -0.60 -0.20 0.00 -1.21 0.00 0.00 61.69 59.80 1tg3 s THR 193 Cb -0.10 -0.18 0.05 0.00 -1.51 0.00 0.00 72.50 70.76 1tg3 s THR 193 CO 0.03 -0.33 0.55 -0.72 -2.21 0.00 0.00 174.62 171.93 1tg3 s TYR 194 N -0.97 -0.36 -0.09 9.09 -0.85 -1.05 -1.59 117.35 121.53 1tg3 s TYR 194 Ca -0.11 0.09 -0.24 0.00 -0.52 0.00 0.00 57.07 56.29 1tg3 s TYR 194 Cb -0.07 0.47 -0.03 0.00 0.38 0.00 0.00 41.96 42.71 1tg3 s TYR 194 CO -0.01 -0.85 0.75 -1.25 -1.52 0.00 0.00 175.55 172.67 1tg3 s PRO 195 N -3.80 4.40 0.00 -3.49 0.04 -1.26 -1.15 135.00 129.74 1tg3 s PRO 195 Ca 0.03 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1tg3 s PRO 195 Cb -0.01 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1tg3 s PRO 195 CO -0.10 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1tg3 n GLY 196 N 3.22 4.92 3.31 0.56 0.00 0.87 -4.84 105.19 113.23 1tg3 n GLY 196 Ca 0.01 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 1tg3 n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tg3 s SER 197 N 1.30 1.34 0.49 1.61 1.04 -1.06 -2.63 113.70 115.79 1tg3 s SER 197 Ca 0.00 -1.66 -0.21 0.00 0.48 0.00 0.00 55.95 54.55 1tg3 s SER 197 Cb 0.00 0.55 -0.07 0.00 0.10 0.00 0.00 66.02 66.60 1tg3 s SER 197 CO 0.00 -1.07 1.13 -0.76 0.98 0.00 0.00 173.24 173.52 1tg3 s LEU 198 N -3.32 3.91 0.00 2.42 1.43 -0.49 -4.47 118.68 118.17 1tg3 s LEU 198 Ca 0.39 2.20 0.22 0.00 -1.03 0.00 0.00 54.13 55.91 1tg3 s LEU 198 Cb 0.02 -4.39 0.53 0.00 0.03 0.00 0.00 46.19 42.39 1tg3 s LEU 198 CO 0.24 -0.97 1.45 0.35 0.23 0.00 0.00 176.35 177.65 1tg3 n THR 199 N -0.79 0.37 -4.25 5.49 -2.24 -1.26 -4.46 114.28 107.14 1tg3 n THR 199 Ca 0.09 -0.58 -0.18 0.00 -2.27 0.00 0.00 64.05 61.10 1tg3 n THR 199 Cb 0.50 0.77 -0.11 0.00 -2.10 0.00 0.00 70.33 69.39 1tg3 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1tg3 s THR 200 N -1.63 1.37 0.55 4.28 -4.23 -1.26 -4.74 115.64 109.98 1tg3 s THR 200 Ca 0.36 -1.77 -0.19 0.00 -1.18 0.00 0.00 61.69 58.90 1tg3 s THR 200 Cb 0.21 -1.59 -0.08 0.00 1.34 0.00 0.00 72.50 72.37 1tg3 s THR 200 CO 0.29 -0.44 0.77 -2.65 -0.54 0.00 0.00 174.62 172.06 1tg3 n PRO 201 N 0.43 0.79 0.00 3.99 -0.02 -1.26 -0.66 135.00 138.27 1tg3 n PRO 201 Ca -0.15 0.30 0.05 0.00 -2.02 0.00 0.00 63.50 61.68 1tg3 n PRO 201 Cb 0.57 -1.92 0.27 0.00 -0.02 0.00 0.00 33.50 32.40 1tg3 n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1tg3 n PRO 202 N -0.36 0.37 -2.51 0.52 -0.04 -1.26 -4.99 135.00 126.73 1tg3 n PRO 202 Ca 0.12 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.42 1tg3 n PRO 202 Cb 0.46 -1.38 -0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1tg3 n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1tg3 n LEU 203 N -0.88 -1.55 -4.77 1.53 4.77 0.17 -4.92 117.00 111.34 1tg3 n LEU 203 Ca 0.07 0.06 -0.40 0.00 -0.03 0.00 0.00 56.01 55.71 1tg3 n LEU 203 Cb 0.03 -2.49 0.01 0.00 -2.33 0.00 0.00 43.42 38.64 1tg3 n LEU 203 CO 0.05 -0.13 1.07 -0.76 -1.33 0.00 0.00 177.39 176.29 1tg3 s LEU 204 N -5.88 4.18 -1.21 2.23 1.43 -1.26 -4.39 118.68 113.78 1tg3 s LEU 204 Ca 0.04 2.91 -0.08 0.00 -1.03 0.00 0.00 54.13 55.96 1tg3 s LEU 204 Cb -0.02 -3.86 0.21 0.00 0.03 0.00 0.00 46.19 42.55 1tg3 s LEU 204 CO 0.05 -1.05 1.69 -0.62 0.23 0.00 0.00 176.35 176.64 1tg3 n GLU 205 N 0.02 3.81 -0.11 1.70 1.02 -1.26 -1.40 120.64 124.42 1tg3 n GLU 205 Ca 0.04 -3.88 0.03 0.00 -0.02 0.00 0.00 57.16 53.33 1tg3 n GLU 205 Cb 0.41 -2.81 0.04 0.00 -0.02 0.00 0.00 31.44 29.06 1tg3 n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1tg3 s VAL 207 N -1.16 3.36 -0.45 0.00 1.01 -1.08 -0.55 120.40 121.53 1tg3 s VAL 207 Ca 0.09 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.34 1tg3 s VAL 207 Cb 0.08 -2.38 0.06 0.00 0.00 0.00 0.00 36.38 34.14 1tg3 s VAL 207 CO 0.01 0.56 0.35 -0.89 0.00 0.00 0.00 175.10 175.13 1tg3 s THR 208 N -0.26 5.10 0.11 3.92 2.01 -0.24 -0.09 115.64 126.20 1tg3 s THR 208 Ca 0.02 -1.01 -0.27 0.00 0.31 0.00 0.00 61.69 60.75 1tg3 s THR 208 Cb -0.13 -4.00 -0.07 0.00 0.01 0.00 0.00 72.50 68.31 1tg3 s THR 208 CO 0.03 -0.50 0.84 0.26 -0.69 0.00 0.00 174.62 174.56 1tg3 s TRP 209 N 1.62 3.83 -0.29 4.92 0.52 -0.30 -2.76 118.94 126.48 1tg3 s TRP 209 Ca 0.04 1.65 0.00 0.00 0.02 0.00 0.00 56.10 57.81 1tg3 s TRP 209 Cb -0.23 -2.89 0.09 0.00 -1.15 0.00 0.00 33.47 29.29 1tg3 s TRP 209 CO 0.07 0.34 0.05 0.42 0.02 0.00 0.00 176.95 177.85 1tg3 s ILE 210 N -0.44 1.21 -0.26 2.03 1.01 -0.48 -2.52 121.20 121.75 1tg3 s ILE 210 Ca 0.40 -1.44 -0.08 0.00 0.00 0.00 0.00 60.65 59.53 1tg3 s ILE 210 Cb -0.23 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 1tg3 s ILE 210 CO 0.27 -0.50 0.10 -0.69 0.00 0.00 0.00 174.94 174.11 1tg3 s VAL 211 N 1.48 4.53 0.30 2.92 1.01 0.04 0.11 120.40 130.79 1tg3 s VAL 211 Ca 0.06 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 1tg3 s VAL 211 Cb -0.18 -3.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.97 1tg3 s VAL 211 CO -0.17 0.30 1.13 -0.76 0.00 0.00 0.00 175.10 175.60 1tg3 s LEU 212 N 1.64 4.48 0.12 3.92 1.43 -0.14 -0.92 118.68 129.21 1tg3 s LEU 212 Ca 0.06 2.31 -0.12 0.00 -1.03 0.00 0.00 54.13 55.35 1tg3 s LEU 212 Cb -0.15 -3.70 -0.10 0.00 0.03 0.00 0.00 46.19 42.26 1tg3 s LEU 212 CO 0.05 -0.26 1.39 0.50 0.23 0.00 0.00 176.35 178.26 1tg3 h LYS 213 N 3.57 0.86 -5.76 1.70 3.64 -1.70 -3.43 116.57 115.45 1tg3 h LYS 213 Ca -0.47 -0.57 -0.60 0.00 -1.27 0.00 0.00 60.65 57.74 1tg3 h LYS 213 Cb 1.22 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 33.01 1tg3 h LYS 213 CO 0.66 1.20 0.41 -2.00 -2.27 0.00 0.00 179.45 177.44 1tg3 s GLU 214 N -4.07 4.05 0.68 1.90 2.12 -1.26 -5.02 118.70 117.10 1tg3 s GLU 214 Ca -0.11 0.70 -0.11 0.00 0.36 0.00 0.00 54.97 55.82 1tg3 s GLU 214 Cb 0.10 -3.69 0.01 0.00 0.26 0.00 0.00 34.13 30.80 1tg3 s GLU 214 CO 0.89 -0.61 1.07 -1.25 -0.54 0.00 0.00 175.26 174.83 1tg3 s PRO 215 N 2.89 2.97 0.17 4.30 0.04 -1.26 -4.67 135.00 139.43 1tg3 s PRO 215 Ca 0.33 0.46 0.06 0.00 0.04 0.00 0.00 61.00 61.89 1tg3 s PRO 215 Cb -0.15 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1tg3 s PRO 215 CO 0.10 -0.94 0.09 0.96 0.04 0.00 0.00 177.00 177.25 1tg3 s ILE 216 N -3.30 4.19 -0.09 0.56 -4.36 -0.11 -4.92 121.20 113.17 1tg3 s ILE 216 Ca 0.57 -1.22 -0.04 0.00 -0.26 0.00 0.00 60.65 59.70 1tg3 s ILE 216 Cb -0.11 -3.13 -0.04 0.00 1.25 0.00 0.00 42.46 40.43 1tg3 s ILE 216 CO 0.52 -0.12 0.10 -0.44 0.24 0.00 0.00 174.94 175.24 1tg3 s SER 217 N -3.07 5.98 0.10 4.36 0.01 -1.26 -1.48 113.70 118.35 1tg3 s SER 217 Ca 0.30 0.33 0.04 0.00 1.31 0.00 0.00 55.95 57.92 1tg3 s SER 217 Cb -0.10 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 1tg3 s SER 217 CO 0.22 0.37 -0.10 0.68 0.41 0.00 0.00 173.24 174.82 1tg3 s VAL 218 N -1.03 0.98 0.53 3.43 -7.23 -0.57 -3.58 120.40 112.92 1tg3 s VAL 218 Ca 0.16 -1.71 -0.07 0.00 -1.81 0.00 0.00 61.98 58.56 1tg3 s VAL 218 Cb -0.12 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 1tg3 s VAL 218 CO 0.06 -0.59 0.86 -0.94 -0.31 0.00 0.00 175.10 174.18 1tg3 s SER 219 N -2.56 6.17 0.26 4.85 1.04 -1.16 -0.51 113.70 121.79 1tg3 s SER 219 Ca 0.07 1.03 -0.03 0.00 0.48 0.00 0.00 55.95 57.50 1tg3 s SER 219 Cb -0.02 -2.24 0.39 0.00 0.10 0.00 0.00 66.02 64.25 1tg3 s SER 219 CO 0.00 -0.71 1.86 -1.28 0.98 0.00 0.00 173.24 174.09 1tg3 h SER 220 N 0.03 0.94 -0.66 7.02 0.87 -1.93 -1.62 113.55 118.20 1tg3 h SER 220 Ca -0.46 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.09 1tg3 h SER 220 Cb 1.21 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.95 1tg3 h SER 220 CO 0.62 0.59 0.33 -0.33 -0.53 0.00 0.00 176.83 177.51 1tg3 h GLU 221 N 1.07 0.96 -0.15 2.24 3.07 -1.96 -0.72 114.58 119.10 1tg3 h GLU 221 Ca 0.41 -0.12 -0.03 0.00 -0.50 0.00 0.00 59.36 59.11 1tg3 h GLU 221 Cb 0.20 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1tg3 h GLU 221 CO -0.18 0.74 -0.04 1.96 -1.40 0.00 0.00 179.01 180.08 1tg3 h GLN 222 N 0.96 0.29 0.00 2.33 4.20 -1.69 -3.02 115.11 118.18 1tg3 h GLN 222 Ca 0.24 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 1tg3 h GLN 222 Cb 0.09 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1tg3 h GLN 222 CO -0.03 0.58 -0.37 -0.39 -0.67 0.00 0.00 178.83 177.95 1tg3 h VAL 223 N -0.02 1.13 -0.80 -0.54 -1.51 -1.26 -2.75 116.25 110.49 1tg3 h VAL 223 Ca 0.04 -1.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.20 1tg3 h VAL 223 Cb 0.48 1.73 -0.04 0.00 -2.13 0.00 0.00 31.29 31.33 1tg3 h VAL 223 CO 0.02 0.36 0.51 0.25 -1.23 0.00 0.00 177.57 177.48 1tg3 h LEU 224 N 0.00 0.94 -1.32 4.19 7.12 -1.03 -1.78 115.31 123.43 1tg3 h LEU 224 Ca -0.00 -0.04 -0.06 0.00 0.13 0.00 0.00 57.88 57.91 1tg3 h LEU 224 Cb 0.70 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.59 1tg3 h LEU 224 CO 0.05 0.70 -0.30 0.11 -0.13 0.00 0.00 178.44 178.87 1tg3 h LYS 225 N 1.10 0.00 -0.61 1.25 1.57 -1.37 -2.35 116.57 116.17 1tg3 h LYS 225 Ca 0.29 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.99 1tg3 h LYS 225 Cb -0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1tg3 h LYS 225 CO -0.06 0.30 0.05 0.74 -0.57 0.00 0.00 179.45 179.91 1tg3 h PHE 226 N 0.00 1.10 0.00 -1.35 -1.00 -1.35 -2.66 116.94 111.68 1tg3 h PHE 226 Ca -0.00 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.61 1tg3 h PHE 226 Cb 0.66 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 39.92 1tg3 h PHE 226 CO 0.00 0.95 0.00 0.54 -1.61 0.00 0.00 178.31 178.19 1tg3 n ARG 227 N -4.20 0.56 0.00 1.51 1.74 -0.89 -2.65 116.66 112.73 1tg3 n ARG 227 Ca 0.04 0.02 0.12 0.00 -0.77 0.00 0.00 57.85 57.25 1tg3 n ARG 227 Cb 0.31 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.42 1tg3 n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1tg3 n LYS 228 N -1.05 0.52 -1.33 5.56 5.02 -1.00 -4.51 118.16 121.36 1tg3 n LYS 228 Ca 0.14 -0.36 -0.30 0.00 -2.02 0.00 0.00 58.31 55.77 1tg3 n LYS 228 Cb 0.08 -1.49 0.11 0.00 -0.02 0.00 0.00 35.03 33.71 1tg3 n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1tg3 s LEU 229 N -2.73 2.52 0.01 -0.35 1.43 -1.09 -4.86 118.68 113.62 1tg3 s LEU 229 Ca 0.16 1.50 0.08 0.00 -1.03 0.00 0.00 54.13 54.84 1tg3 s LEU 229 Cb 0.18 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.33 1tg3 s LEU 229 CO 0.65 -2.29 -0.23 0.20 0.23 0.00 0.00 176.35 174.91 1tg3 s ASN 230 N -3.57 3.36 0.16 2.29 0.02 -0.04 0.13 114.94 117.29 1tg3 s ASN 230 Ca 0.62 -0.48 0.04 0.00 -1.02 0.00 0.00 52.86 52.02 1tg3 s ASN 230 Cb -0.17 -0.43 -0.04 0.00 0.02 0.00 0.00 41.25 40.63 1tg3 s ASN 230 CO 0.56 0.29 1.36 -0.26 0.02 0.00 0.00 177.10 179.06 1tg3 h PHE 231 N 5.01 0.20 -4.43 2.20 0.04 -1.12 -3.36 116.94 115.49 1tg3 h PHE 231 Ca -0.46 -0.12 -0.49 0.00 2.80 0.00 0.00 57.97 59.70 1tg3 h PHE 231 Cb 1.14 -0.02 0.08 0.00 2.20 0.00 0.00 35.95 39.35 1tg3 h PHE 231 CO 0.47 0.97 0.40 0.54 -0.60 0.00 0.00 178.31 180.09 1tg3 s ASN 232 N -6.88 5.35 0.48 2.17 4.22 -1.26 -4.47 114.94 114.56 1tg3 s ASN 232 Ca -0.02 1.21 -0.01 0.00 -2.14 0.00 0.00 52.86 51.90 1tg3 s ASN 232 Cb 0.10 -2.03 -0.00 0.00 1.28 0.00 0.00 41.25 40.60 1tg3 s ASN 232 CO 0.82 -1.41 0.73 -0.83 -2.04 0.00 0.00 177.10 174.37 1tg3 s GLY 233 N -4.24 1.57 0.46 0.45 0.00 -1.26 -0.97 107.32 103.33 1tg3 s GLY 233 Ca 0.58 -0.96 -0.24 0.00 0.00 0.00 0.00 44.72 44.11 1tg3 s GLY 233 CO 0.53 -0.76 1.25 -2.21 0.00 0.00 0.00 173.10 171.91 1tg3 n GLU 234 N -2.20 1.78 -0.93 2.90 2.13 -1.26 -2.34 120.64 120.73 1tg3 n GLU 234 Ca 0.02 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1tg3 n GLU 234 Cb 0.58 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.89 1tg3 n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tg3 n GLY 235 N 0.85 0.70 3.56 8.31 0.00 -1.26 -5.03 105.19 112.32 1tg3 n GLY 235 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1tg3 n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tg3 s GLU 236 N -0.07 1.91 0.16 1.61 2.02 -0.99 -5.08 118.70 118.27 1tg3 s GLU 236 Ca 0.00 -1.73 -0.34 0.00 0.02 0.00 0.00 54.97 52.92 1tg3 s GLU 236 Cb 0.00 -1.87 -0.15 0.00 0.10 0.00 0.00 34.13 32.22 1tg3 s GLU 236 CO 0.00 0.25 1.45 -2.30 0.02 0.00 0.00 175.26 174.69 1tg3 n PRO 237 N -0.79 1.81 -2.14 0.39 -0.02 -1.26 -4.87 135.00 128.13 1tg3 n PRO 237 Ca -0.05 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 1tg3 n PRO 237 Cb 0.61 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1tg3 n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1tg3 s GLU 238 N 0.43 4.27 -0.22 -0.52 2.12 -1.26 -4.76 118.70 118.77 1tg3 s GLU 238 Ca 0.77 2.09 -0.01 0.00 0.36 0.00 0.00 54.97 58.18 1tg3 s GLU 238 Cb -0.75 -3.46 0.06 0.00 0.26 0.00 0.00 34.13 30.24 1tg3 s GLU 238 CO 0.43 -0.56 -0.00 -2.00 -0.54 0.00 0.00 175.26 172.59 1tg3 s GLU 239 N 1.99 1.08 0.29 4.30 2.12 -1.26 -5.05 118.70 122.16 1tg3 s GLU 239 Ca 0.66 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 55.00 1tg3 s GLU 239 Cb -0.35 -2.32 -0.11 0.00 0.26 0.00 0.00 34.13 31.61 1tg3 s GLU 239 CO 0.29 -0.64 1.49 -0.51 -0.54 0.00 0.00 175.26 175.35 1tg3 s LEU 240 N 1.64 4.37 -0.91 2.70 1.43 -1.26 -0.62 118.68 126.02 1tg3 s LEU 240 Ca -0.03 2.82 -0.23 0.00 -1.03 0.00 0.00 54.13 55.66 1tg3 s LEU 240 Cb -0.18 -3.64 0.06 0.00 0.03 0.00 0.00 46.19 42.47 1tg3 s LEU 240 CO -0.08 -0.78 1.31 -0.32 0.23 0.00 0.00 176.35 176.71 1tg3 s MET 241 N -0.78 3.47 0.04 1.70 -2.45 0.12 -4.61 119.30 116.78 1tg3 s MET 241 Ca 0.59 -1.02 -0.02 0.00 -1.25 0.00 0.00 55.69 53.99 1tg3 s MET 241 Cb -0.44 -4.93 -0.03 0.00 1.25 0.00 0.00 34.83 30.67 1tg3 s MET 241 CO 0.48 -2.09 0.00 0.14 1.05 0.00 0.00 175.02 174.61 1tg3 s VAL 242 N 4.65 0.18 -1.33 10.11 -7.23 -1.26 -4.52 120.40 120.99 1tg3 s VAL 242 Ca 0.39 -1.45 -0.03 0.00 -1.81 0.00 0.00 61.98 59.09 1tg3 s VAL 242 Cb -0.04 -1.11 0.01 0.00 0.56 0.00 0.00 36.38 35.81 1tg3 s VAL 242 CO -0.03 -0.80 0.82 0.47 -0.31 0.00 0.00 175.10 175.26 1tg3 n ASP 243 N 0.56 -2.21 -2.73 4.85 8.00 -0.09 -4.87 116.55 120.07 1tg3 n ASP 243 Ca -0.17 -0.76 -0.32 0.00 0.71 0.00 0.00 54.79 54.24 1tg3 n ASP 243 Cb 0.59 -4.26 -0.02 0.00 -0.02 0.00 0.00 41.12 37.40 1tg3 n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1tg3 n ASN 244 N -3.03 6.92 -4.27 -2.24 6.94 -1.07 -4.91 115.26 113.59 1tg3 n ASN 244 Ca -0.22 -3.39 -0.25 0.00 -0.02 0.00 0.00 54.58 50.69 1tg3 n ASN 244 Cb 0.65 -1.20 -0.13 0.00 -2.36 0.00 0.00 39.78 36.74 1tg3 n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1tg3 s TRP 245 N -2.42 1.82 -0.08 -2.53 1.48 -1.26 -4.60 118.94 111.35 1tg3 s TRP 245 Ca 0.56 -0.39 -0.10 0.00 -1.06 0.00 0.00 56.10 55.10 1tg3 s TRP 245 Cb 0.38 -1.04 -0.05 0.00 -1.16 0.00 0.00 33.47 31.59 1tg3 s TRP 245 CO -0.26 0.15 0.25 0.50 -4.06 0.00 0.00 176.95 173.53 1tg3 s ARG 246 N -1.53 3.70 0.75 3.25 3.52 -1.26 -4.97 118.95 122.40 1tg3 s ARG 246 Ca 0.07 0.09 -0.12 0.00 -0.13 0.00 0.00 55.73 55.64 1tg3 s ARG 246 Cb -0.09 -3.23 0.05 0.00 -1.56 0.00 0.00 34.95 30.12 1tg3 s ARG 246 CO 0.03 0.69 1.11 -2.14 -0.81 0.00 0.00 175.30 174.18 1tg3 s PRO 247 N -0.90 2.29 0.34 5.12 0.02 -1.26 -4.68 135.00 135.94 1tg3 s PRO 247 Ca 0.18 1.32 -0.29 0.00 0.02 0.00 0.00 61.00 62.23 1tg3 s PRO 247 Cb -0.14 -1.89 -0.12 0.00 0.02 0.00 0.00 34.50 32.37 1tg3 s PRO 247 CO 0.07 -1.63 1.46 0.00 -0.33 0.00 0.00 177.00 176.57 1tg3 n ALA 248 N -3.19 2.09 -2.64 -1.55 0.00 -1.26 -4.41 120.51 109.55 1tg3 n ALA 248 Ca 0.10 0.36 -0.21 0.00 0.00 0.00 0.00 53.44 53.68 1tg3 n ALA 248 Cb 0.52 -2.38 -0.04 0.00 0.00 0.00 0.00 19.45 17.55 1tg3 n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1tg3 s GLN 249 N -1.55 2.81 0.26 0.00 -1.52 0.12 -4.94 119.66 114.84 1tg3 s GLN 249 Ca 0.57 -1.19 -0.31 0.00 -1.95 0.00 0.00 55.36 52.48 1tg3 s GLN 249 Cb -0.51 -2.51 -0.12 0.00 -0.22 0.00 0.00 33.01 29.64 1tg3 s GLN 249 CO 0.59 0.22 1.56 -2.30 -0.25 0.00 0.00 175.29 175.11 1tg3 n PRO 250 N -1.29 2.49 0.04 2.91 -0.02 -1.26 -4.57 135.00 133.30 1tg3 n PRO 250 Ca -0.04 0.89 -0.07 0.00 -2.02 0.00 0.00 63.50 62.26 1tg3 n PRO 250 Cb 0.59 -2.64 0.11 0.00 -0.02 0.00 0.00 33.50 31.53 1tg3 n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1tg3 h LEU 251 N 4.93 0.44 0.00 2.45 5.85 -1.95 -3.44 115.31 123.60 1tg3 h LEU 251 Ca -0.46 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.03 1tg3 h LEU 251 Cb 1.24 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1tg3 h LEU 251 CO 0.81 0.89 0.00 0.29 -0.34 0.00 0.00 178.44 180.09 1tg3 n LYS 252 N -3.94 0.00 -1.06 1.25 4.76 -1.26 -3.25 118.16 114.66 1tg3 n LYS 252 Ca -0.02 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.12 1tg3 n LYS 252 Cb 0.58 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.73 1tg3 n LYS 252 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1tg3 n ASN 253 N -0.55 6.96 -4.03 4.39 4.13 -1.26 -4.88 115.26 120.02 1tg3 n ASN 253 Ca 0.00 -2.45 -0.11 0.00 1.68 0.00 0.00 54.58 53.69 1tg3 n ASN 253 Cb 0.00 -1.36 -0.11 0.00 -1.54 0.00 0.00 39.78 36.77 1tg3 n ASN 253 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1tg3 s ARG 254 N 2.50 0.46 -0.05 3.52 0.52 -1.20 -5.11 118.95 119.59 1tg3 s ARG 254 Ca 0.58 -0.74 0.06 0.00 -0.52 0.00 0.00 55.73 55.11 1tg3 s ARG 254 Cb 0.16 -0.11 -0.01 0.00 0.52 0.00 0.00 34.95 35.51 1tg3 s ARG 254 CO -0.04 0.00 -0.24 -1.14 0.02 0.00 0.00 175.30 173.90 1tg3 s GLN 255 N -1.70 2.39 -0.19 3.54 0.74 -1.26 -5.03 119.66 118.14 1tg3 s GLN 255 Ca -0.11 -0.86 -0.14 0.00 0.05 0.00 0.00 55.36 54.30 1tg3 s GLN 255 Cb -0.09 -2.05 -0.04 0.00 1.10 0.00 0.00 33.01 31.93 1tg3 s GLN 255 CO -0.01 0.37 0.31 0.42 -0.55 0.00 0.00 175.29 175.84 1tg3 s ILE 256 N -0.17 5.28 0.01 -2.34 1.01 -1.26 -4.72 121.20 119.00 1tg3 s ILE 256 Ca -0.02 0.55 0.01 0.00 0.00 0.00 0.00 60.65 61.19 1tg3 s ILE 256 Cb -0.13 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1tg3 s ILE 256 CO 0.03 0.33 0.06 -0.54 0.00 0.00 0.00 174.94 174.82 1tg3 s LYS 257 N 0.84 2.94 0.04 2.79 1.02 -0.62 -1.51 119.74 125.24 1tg3 s LYS 257 Ca 0.16 -0.56 0.06 0.00 0.02 0.00 0.00 55.97 55.65 1tg3 s LYS 257 Cb -0.14 -2.78 -0.03 0.00 -0.52 0.00 0.00 37.83 34.37 1tg3 s LYS 257 CO 0.05 0.62 -0.16 0.00 -0.92 0.00 0.00 175.35 174.95 1tg3 s ALA 258 N -1.20 2.69 -2.38 5.17 0.00 0.11 -0.53 121.76 125.62 1tg3 s ALA 258 Ca 0.23 -1.16 0.27 0.00 0.00 0.00 0.00 51.96 51.30 1tg3 s ALA 258 Cb -0.12 -0.82 0.94 0.00 0.00 0.00 0.00 23.12 23.13 1tg3 s ALA 258 CO 0.14 0.58 1.68 -1.13 0.00 0.00 0.00 175.76 177.04 1tg3 n SER 259 N 1.51 1.49 -4.23 0.00 3.41 -0.11 -1.70 113.62 114.00 1tg3 n SER 259 Ca -0.16 -1.41 -0.13 0.00 -0.26 0.00 0.00 58.87 56.91 1tg3 n SER 259 Cb 0.52 0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 1tg3 n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1tg3 s PHE 260 N -2.10 1.15 -2.55 7.33 -0.71 -1.26 -4.90 117.98 114.93 1tg3 s PHE 260 Ca 0.35 -0.97 0.28 0.00 -1.04 0.00 0.00 56.93 55.54 1tg3 s PHE 260 Cb 0.21 -0.65 0.96 0.00 -1.21 0.00 0.00 43.02 42.32 1tg3 s PHE 260 CO 0.37 -0.17 1.69 1.63 -1.34 0.00 0.00 175.22 177.40