#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ig1 s VAL 8 N 0.00 4.87 -0.36 2.28 0.11 -1.26 -5.05 120.40 120.99 3ig1 s VAL 8 Ca 0.00 1.66 -0.26 0.00 -2.93 0.00 0.00 61.98 60.45 3ig1 s VAL 8 Cb 0.00 -4.13 0.02 0.00 -1.53 0.00 0.00 36.38 30.73 3ig1 s VAL 8 CO 0.00 0.28 0.95 -2.16 -3.33 0.00 0.00 175.10 170.85 3ig1 s PRO 9 N 0.47 3.89 0.23 1.54 0.04 -1.26 -4.31 135.00 135.60 3ig1 s PRO 9 Ca 0.41 0.67 0.11 0.00 0.04 0.00 0.00 61.00 62.24 3ig1 s PRO 9 Cb -0.20 -3.79 -0.05 0.00 0.04 0.00 0.00 34.50 30.51 3ig1 s PRO 9 CO 0.22 -0.94 -0.19 0.08 0.04 0.00 0.00 177.00 176.21 3ig1 s VAL 10 N 3.52 2.55 0.23 -0.36 1.01 -1.26 -5.14 120.40 120.95 3ig1 s VAL 10 Ca 0.40 -2.14 -0.14 0.00 0.00 0.00 0.00 61.98 60.09 3ig1 s VAL 10 Cb -0.12 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.98 3ig1 s VAL 10 CO 0.18 -0.25 0.49 -0.54 0.00 0.00 0.00 175.10 174.98 3ig1 s LYS 11 N -3.09 1.50 0.65 2.72 -0.14 -1.26 -4.81 119.74 115.31 3ig1 s LYS 11 Ca 0.26 -1.16 -0.09 0.00 -1.36 0.00 0.00 55.97 53.62 3ig1 s LYS 11 Cb -0.07 0.48 0.01 0.00 -1.68 0.00 0.00 37.83 36.57 3ig1 s LYS 11 CO 0.13 -0.63 1.00 -0.51 -0.76 0.00 0.00 175.35 174.58 3ig1 s LEU 12 N -2.98 3.08 0.69 3.17 1.43 -1.26 -1.91 118.68 120.89 3ig1 s LEU 12 Ca 0.19 0.94 -0.17 0.00 -1.03 0.00 0.00 54.13 54.06 3ig1 s LEU 12 Cb -0.01 -3.76 0.01 0.00 0.03 0.00 0.00 46.19 42.45 3ig1 s LEU 12 CO 0.06 -1.18 1.20 0.29 0.23 0.00 0.00 176.35 176.95 3ig1 n LYS 13 N -2.79 0.82 -1.68 1.70 5.02 -0.39 -4.51 118.16 116.33 3ig1 n LYS 13 Ca 0.06 0.34 -0.44 0.00 -2.02 0.00 0.00 58.31 56.25 3ig1 n LYS 13 Cb 0.57 -2.44 -0.01 0.00 -0.02 0.00 0.00 35.03 33.13 3ig1 n LYS 13 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3ig1 n PRO 14 N -2.11 2.01 -3.40 1.97 -0.02 -1.26 -3.76 135.00 128.44 3ig1 n PRO 14 Ca 0.15 0.71 -0.19 0.00 -2.02 0.00 0.00 63.50 62.15 3ig1 n PRO 14 Cb 0.49 -2.30 0.07 0.00 -0.02 0.00 0.00 33.50 31.73 3ig1 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ig1 n GLY 15 N 1.34 -0.89 3.53 -1.23 0.00 -1.26 -5.03 105.19 101.65 3ig1 n GLY 15 Ca 0.08 0.42 -0.17 0.00 0.00 0.00 0.00 46.02 46.35 3ig1 n GLY 15 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3ig1 s MET 16 N -5.00 0.98 0.43 1.61 0.23 -1.25 -5.17 119.30 111.14 3ig1 s MET 16 Ca 0.32 0.29 0.08 0.00 -1.03 0.00 0.00 55.69 55.35 3ig1 s MET 16 Cb -0.06 0.46 0.01 0.00 -1.53 0.00 0.00 34.83 33.72 3ig1 s MET 16 CO 0.76 -0.30 0.58 0.34 -2.03 0.00 0.00 175.02 174.38 3ig1 s ASP 17 N -1.08 5.64 1.29 -1.18 -1.08 -1.26 -4.86 116.67 114.14 3ig1 s ASP 17 Ca -0.09 -0.41 -0.21 0.00 -0.52 0.00 0.00 52.55 51.32 3ig1 s ASP 17 Cb -0.00 -0.66 0.31 0.00 -1.46 0.00 0.00 42.92 41.11 3ig1 s ASP 17 CO 0.08 -0.78 1.02 0.61 0.52 0.00 0.00 175.17 176.62 3ig1 n GLY 18 N -1.87 -3.02 3.65 2.66 0.00 -1.26 -4.99 105.19 100.36 3ig1 n GLY 18 Ca 0.08 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 3ig1 n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ig1 s PRO 19 N -5.35 4.13 -0.55 1.61 0.04 -1.26 -5.00 135.00 128.63 3ig1 s PRO 19 Ca 0.69 1.69 0.04 0.00 0.04 0.00 0.00 61.00 63.45 3ig1 s PRO 19 Cb -0.08 -3.85 0.15 0.00 0.04 0.00 0.00 34.50 30.76 3ig1 s PRO 19 CO 0.54 -0.85 0.34 0.15 0.04 0.00 0.00 177.00 177.21 3ig1 s LYS 20 N 3.81 1.83 0.17 4.56 1.02 -1.25 -0.30 119.74 129.58 3ig1 s LYS 20 Ca 0.60 -2.63 0.07 0.00 0.02 0.00 0.00 55.97 54.02 3ig1 s LYS 20 Cb -0.23 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 3ig1 s LYS 20 CO 0.20 -1.21 0.05 0.08 -0.92 0.00 0.00 175.35 173.55 3ig1 s VAL 21 N -0.45 4.00 0.12 3.17 1.01 -0.50 -4.92 120.40 122.83 3ig1 s VAL 21 Ca 0.21 -1.31 -0.11 0.00 0.00 0.00 0.00 61.98 60.77 3ig1 s VAL 21 Cb -0.15 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 3ig1 s VAL 21 CO -0.07 -0.12 0.47 -0.54 0.00 0.00 0.00 175.10 174.84 3ig1 s LYS 22 N -3.03 3.85 -0.21 2.72 1.02 -1.26 -4.38 119.74 118.45 3ig1 s LYS 22 Ca 0.29 0.30 -0.28 0.00 0.02 0.00 0.00 55.97 56.30 3ig1 s LYS 22 Cb -0.09 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.28 3ig1 s LYS 22 CO 0.20 0.51 1.00 -1.14 -0.92 0.00 0.00 175.35 175.01 3ig1 s GLN 23 N -2.01 4.28 0.56 1.68 2.00 -1.26 -4.61 119.66 120.30 3ig1 s GLN 23 Ca 0.36 1.31 -0.14 0.00 -2.00 0.00 0.00 55.36 54.88 3ig1 s GLN 23 Cb -0.14 -3.62 -0.06 0.00 0.80 0.00 0.00 33.01 29.99 3ig1 s GLN 23 CO 0.19 -0.55 1.01 1.67 -0.50 0.00 0.00 175.29 177.10 3ig1 s TRP 24 N 2.92 3.45 0.51 1.67 -2.14 -1.26 -5.00 118.94 119.10 3ig1 s TRP 24 Ca 0.44 1.41 -0.23 0.00 2.66 0.00 0.00 56.10 60.38 3ig1 s TRP 24 Cb -0.16 -2.79 -0.06 0.00 -3.10 0.00 0.00 33.47 27.36 3ig1 s TRP 24 CO 0.08 -0.58 1.36 -0.35 -2.66 0.00 0.00 176.95 174.80 3ig1 n PRO 25 N -2.06 1.83 -4.39 3.25 -0.04 -1.26 -4.98 135.00 127.35 3ig1 n PRO 25 Ca 0.07 0.67 -0.26 0.00 -0.04 0.00 0.00 63.50 63.93 3ig1 n PRO 25 Cb 0.54 -2.57 -0.13 0.00 -0.04 0.00 0.00 33.50 31.30 3ig1 n PRO 25 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ig1 s LEU 26 N -3.08 2.29 1.13 1.53 1.43 -1.26 -5.14 118.68 115.58 3ig1 s LEU 26 Ca 0.68 -0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 52.95 3ig1 s LEU 26 Cb -0.43 -1.04 0.25 0.00 0.03 0.00 0.00 46.19 45.00 3ig1 s LEU 26 CO 0.52 0.12 1.06 0.42 0.23 0.00 0.00 176.35 178.70 3ig1 s THR 27 N -1.07 1.87 0.06 5.49 -4.23 -1.26 -4.81 115.64 111.70 3ig1 s THR 27 Ca 0.10 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.41 3ig1 s THR 27 Cb -0.10 -2.33 -0.11 0.00 1.34 0.00 0.00 72.50 71.30 3ig1 s THR 27 CO 0.05 0.00 1.44 -0.08 -0.54 0.00 0.00 174.62 175.49 3ig1 h GLU 28 N -2.39 0.38 -0.39 3.99 4.81 -2.00 -2.28 114.58 116.69 3ig1 h GLU 28 Ca -0.55 -0.15 0.07 0.00 -0.13 0.00 0.00 59.36 58.61 3ig1 h GLU 28 Cb 1.33 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 30.60 3ig1 h GLU 28 CO 0.50 0.64 -0.38 1.49 -0.73 0.00 0.00 179.01 180.53 3ig1 h GLU 29 N 0.08 -0.29 -0.76 1.92 4.81 -2.01 -1.56 114.58 116.78 3ig1 h GLU 29 Ca 0.05 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3ig1 h GLU 29 Cb 0.51 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 3ig1 h GLU 29 CO 0.02 -0.19 0.38 0.87 -0.73 0.00 0.00 179.01 179.36 3ig1 h LYS 30 N -0.30 1.08 -0.59 1.92 1.57 -1.91 -2.66 116.57 115.68 3ig1 h LYS 30 Ca 0.15 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3ig1 h LYS 30 Cb 0.57 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3ig1 h LYS 30 CO -0.55 0.82 0.17 0.82 -0.57 0.00 0.00 179.45 180.14 3ig1 h ILE 31 N 1.07 1.23 0.01 1.86 2.04 -0.73 -1.96 117.51 121.04 3ig1 h ILE 31 Ca 0.26 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 3ig1 h ILE 31 Cb 0.08 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3ig1 h ILE 31 CO -0.04 0.30 -0.00 0.11 0.00 0.00 0.00 178.15 178.52 3ig1 h LYS 32 N 0.86 -0.01 -1.00 2.37 1.57 -0.99 -1.92 116.57 117.46 3ig1 h LYS 32 Ca 0.19 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.04 3ig1 h LYS 32 Cb 0.26 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.51 3ig1 h LYS 32 CO -0.01 0.18 0.65 0.00 -0.57 0.00 0.00 179.45 179.70 3ig1 h ALA 33 N 0.79 1.39 0.00 3.86 0.00 -1.31 -1.42 119.26 122.57 3ig1 h ALA 33 Ca -0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3ig1 h ALA 33 Cb 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ig1 h ALA 33 CO 0.00 0.44 -0.40 -0.07 0.00 0.00 0.00 179.25 179.22 3ig1 h LEU 34 N 1.17 0.00 -0.30 0.00 3.38 -1.17 -1.70 115.31 116.70 3ig1 h LEU 34 Ca 0.43 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.20 3ig1 h LEU 34 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ig1 h LEU 34 CO -0.17 0.40 -0.71 0.58 0.09 0.00 0.00 178.44 178.63 3ig1 h VAL 35 N 0.00 1.32 0.36 1.22 2.07 -0.47 -1.50 116.25 119.25 3ig1 h VAL 35 Ca -0.00 -1.99 -0.02 0.00 0.82 0.00 0.00 66.70 65.51 3ig1 h VAL 35 Cb 0.72 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 3ig1 h VAL 35 CO 0.05 0.62 -0.18 -0.33 0.02 0.00 0.00 177.57 177.76 3ig1 h GLU 36 N 0.44 -0.47 -1.02 1.57 5.08 -1.08 -1.91 114.58 117.19 3ig1 h GLU 36 Ca -0.03 0.03 0.33 0.00 -1.00 0.00 0.00 59.36 58.69 3ig1 h GLU 36 Cb 1.31 0.11 -0.15 0.00 0.50 0.00 0.00 28.75 30.52 3ig1 h GLU 36 CO 0.14 -0.31 0.59 0.82 -1.00 0.00 0.00 179.01 179.24 3ig1 h ILE 37 N -0.55 0.28 0.00 3.13 2.04 -1.38 -0.12 117.51 120.91 3ig1 h ILE 37 Ca -0.05 -0.10 -0.15 0.00 1.00 0.00 0.00 64.86 65.56 3ig1 h ILE 37 Cb 0.38 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 3ig1 h ILE 37 CO 0.08 0.05 -0.71 0.00 0.00 0.00 0.00 178.15 177.58 3ig1 h THR 39 N 0.00 1.28 0.76 0.00 2.02 -0.19 -1.05 112.91 115.73 3ig1 h THR 39 Ca -0.01 -1.48 -0.04 0.00 0.77 0.00 0.00 66.41 65.66 3ig1 h THR 39 Cb 1.52 1.42 0.01 0.00 -1.74 0.00 0.00 68.15 69.36 3ig1 h THR 39 CO 0.09 0.49 -0.36 -0.33 0.37 0.00 0.00 175.52 175.78 3ig1 h GLU 40 N 0.64 -0.98 -0.86 6.66 4.39 -1.42 -2.31 114.58 120.70 3ig1 h GLU 40 Ca 0.06 0.07 0.20 0.00 0.34 0.00 0.00 59.36 60.03 3ig1 h GLU 40 Cb 0.89 0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 29.71 3ig1 h GLU 40 CO 0.08 -0.64 0.58 0.52 -1.16 0.00 0.00 179.01 178.39 3ig1 h MET 41 N -1.12 0.31 -0.09 2.33 2.86 -1.38 0.35 114.93 118.19 3ig1 h MET 41 Ca -0.10 -0.02 -0.15 0.00 -2.06 0.00 0.00 59.70 57.37 3ig1 h MET 41 Cb 0.80 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 3ig1 h MET 41 CO 0.17 0.20 -0.60 1.49 1.06 0.00 0.00 176.91 179.24 3ig1 h GLU 42 N 0.32 0.31 -0.28 1.72 4.81 -1.04 -0.66 114.58 119.75 3ig1 h GLU 42 Ca 0.43 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 59.37 3ig1 h GLU 42 Cb 1.20 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 3ig1 h GLU 42 CO -0.13 0.81 -0.18 0.87 -0.73 0.00 0.00 179.01 179.65 3ig1 h LYS 43 N 0.23 0.61 0.00 1.92 1.57 0.18 -2.66 116.57 118.42 3ig1 h LYS 43 Ca -0.00 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3ig1 h LYS 43 Cb 1.11 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3ig1 h LYS 43 CO 0.10 0.87 0.00 0.39 -0.57 0.00 0.00 179.45 180.24 3ig1 n GLU 44 N -4.38 0.70 -1.01 3.15 1.02 -0.05 -4.87 120.64 115.19 3ig1 n GLU 44 Ca -0.04 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.10 3ig1 n GLU 44 Cb 0.40 -1.38 -0.00 0.00 -0.02 0.00 0.00 31.44 30.43 3ig1 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ig1 n GLY 45 N 0.35 0.41 0.21 0.62 0.00 -0.99 -4.94 105.19 100.85 3ig1 n GLY 45 Ca 0.13 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 3ig1 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ig1 h LYS 46 N 0.68 0.75 -5.74 1.61 1.57 -1.37 -3.45 116.57 110.61 3ig1 h LYS 46 Ca -0.01 -0.69 -0.49 0.00 -1.87 0.00 0.00 60.65 57.59 3ig1 h LYS 46 Cb 0.26 0.17 -0.15 0.00 0.08 0.00 0.00 32.23 32.58 3ig1 h LYS 46 CO 0.02 1.28 -0.75 0.96 -0.57 0.00 0.00 179.45 180.38 3ig1 s ILE 47 N -3.57 1.85 -0.02 1.86 -4.36 -1.20 -1.31 121.20 114.45 3ig1 s ILE 47 Ca -0.10 -2.16 -0.01 0.00 -0.26 0.00 0.00 60.65 58.13 3ig1 s ILE 47 Cb 0.08 -2.02 0.01 0.00 1.25 0.00 0.00 42.46 41.78 3ig1 s ILE 47 CO 0.91 -0.50 0.03 -0.44 0.24 0.00 0.00 174.94 175.18 3ig1 s SER 48 N -3.16 0.01 0.49 4.36 0.01 -0.51 -4.38 113.70 110.51 3ig1 s SER 48 Ca 0.22 0.05 -0.23 0.00 1.31 0.00 0.00 55.95 57.30 3ig1 s SER 48 Cb -0.03 0.01 -0.08 0.00 0.21 0.00 0.00 66.02 66.14 3ig1 s SER 48 CO 0.08 -0.06 1.21 0.29 0.41 0.00 0.00 173.24 175.17 3ig1 n LYS 49 N 3.54 1.61 -4.37 12.44 5.02 -1.26 -1.98 118.16 133.15 3ig1 n LYS 49 Ca -0.19 0.58 -0.19 0.00 -2.02 0.00 0.00 58.31 56.50 3ig1 n LYS 49 Cb 0.56 -2.36 -0.10 0.00 -0.02 0.00 0.00 35.03 33.11 3ig1 n LYS 49 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3ig1 s ILE 50 N -1.29 1.53 0.00 -0.18 -4.36 -0.58 -4.86 121.20 111.45 3ig1 s ILE 50 Ca 0.67 -2.13 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 3ig1 s ILE 50 Cb -0.47 -2.27 0.00 0.00 1.25 0.00 0.00 42.46 40.97 3ig1 s ILE 50 CO 0.53 -0.43 0.00 0.61 0.24 0.00 0.00 174.94 175.90 3ig1 n GLY 51 N -0.46 0.41 0.00 6.27 0.00 -1.26 -4.77 105.19 105.38 3ig1 n GLY 51 Ca -0.06 -1.90 0.13 0.00 0.00 0.00 0.00 46.02 44.19 3ig1 n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ig1 n PRO 52 N -0.97 0.01 0.00 1.61 -0.04 -1.26 -3.55 135.00 130.80 3ig1 n PRO 52 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 3ig1 n PRO 52 Cb 0.00 -1.51 0.57 0.00 -0.04 0.00 0.00 33.50 32.52 3ig1 n PRO 52 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3ig1 n GLU 53 N -1.52 0.67 -3.60 0.54 0.00 -1.26 -4.33 120.64 111.15 3ig1 n GLU 53 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.82 3ig1 n GLU 53 Cb 0.34 -1.45 -0.10 0.00 0.00 0.00 0.00 31.44 30.24 3ig1 n GLU 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3ig1 s ASN 54 N -1.93 5.63 0.00 -1.84 3.84 -1.23 -4.97 114.94 114.44 3ig1 s ASN 54 Ca 0.29 -1.55 0.31 0.00 0.21 0.00 0.00 52.86 52.12 3ig1 s ASN 54 Cb 0.13 -1.99 1.65 0.00 -0.55 0.00 0.00 41.25 40.50 3ig1 s ASN 54 CO 0.22 -0.55 2.11 -0.81 -2.79 0.00 0.00 177.10 175.28 3ig1 n PRO 55 N 4.91 0.63 -2.55 0.43 -0.04 -1.26 -4.93 135.00 132.19 3ig1 n PRO 55 Ca -0.10 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.11 3ig1 n PRO 55 Cb 0.43 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.41 3ig1 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3ig1 s TYR 56 N -2.37 3.22 -0.23 0.54 1.51 -1.26 -4.84 117.35 113.92 3ig1 s TYR 56 Ca 0.35 0.51 -0.27 0.00 -1.01 0.00 0.00 57.07 56.65 3ig1 s TYR 56 Cb 0.21 -2.64 0.13 0.00 -0.11 0.00 0.00 41.96 39.54 3ig1 s TYR 56 CO 0.43 -0.72 1.03 1.21 -1.11 0.00 0.00 175.55 176.38 3ig1 s ASN 57 N -4.29 -0.41 -0.04 2.29 2.47 0.59 -4.71 114.94 110.84 3ig1 s ASN 57 Ca 0.53 0.65 0.02 0.00 0.42 0.00 0.00 52.86 54.48 3ig1 s ASN 57 Cb -0.10 0.61 0.01 0.00 -1.45 0.00 0.00 41.25 40.33 3ig1 s ASN 57 CO 0.43 -0.23 -0.08 -0.89 -3.72 0.00 0.00 177.10 172.61 3ig1 s THR 58 N -0.34 0.77 1.09 -5.21 2.01 -0.44 -1.41 115.64 112.10 3ig1 s THR 58 Ca 0.01 -0.29 -0.17 0.00 0.31 0.00 0.00 61.69 61.56 3ig1 s THR 58 Cb -0.03 -0.73 0.10 0.00 0.01 0.00 0.00 72.50 71.85 3ig1 s THR 58 CO -0.03 0.27 0.15 -2.65 -0.69 0.00 0.00 174.62 171.67 3ig1 n PRO 59 N 3.77 -1.36 -3.64 4.92 -0.02 -1.26 -4.40 135.00 133.01 3ig1 n PRO 59 Ca -0.23 -0.37 -0.05 0.00 -2.02 0.00 0.00 63.50 60.83 3ig1 n PRO 59 Cb 0.52 -1.76 -0.07 0.00 -0.02 0.00 0.00 33.50 32.17 3ig1 n PRO 59 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3ig1 s VAL 60 N -2.28 -0.06 0.14 -1.45 0.11 -1.26 -2.91 120.40 112.69 3ig1 s VAL 60 Ca 0.57 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.65 3ig1 s VAL 60 Cb -0.15 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.69 3ig1 s VAL 60 CO 0.66 0.00 0.13 2.22 -3.33 0.00 0.00 175.10 174.78 3ig1 n PHE 61 N 4.19 -0.36 -4.34 1.54 1.16 -0.75 -4.94 117.46 113.96 3ig1 n PHE 61 Ca -0.19 -1.21 -0.20 0.00 -1.87 0.00 0.00 57.45 53.98 3ig1 n PHE 61 Cb 0.58 0.13 -0.13 0.00 -1.61 0.00 0.00 39.48 38.45 3ig1 n PHE 61 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3ig1 s ALA 62 N -2.57 1.25 0.05 1.98 0.00 -1.26 -1.53 121.76 119.68 3ig1 s ALA 62 Ca 0.17 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 3ig1 s ALA 62 Cb 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 3ig1 s ALA 62 CO 0.12 0.23 0.00 0.96 0.00 0.00 0.00 175.76 177.07 3ig1 s ILE 63 N -0.94 0.19 -0.04 0.00 -4.36 -0.91 -4.95 121.20 110.20 3ig1 s ILE 63 Ca 0.02 -1.57 -0.01 0.00 -0.26 0.00 0.00 60.65 58.83 3ig1 s ILE 63 Cb -0.08 -1.28 -0.04 0.00 1.25 0.00 0.00 42.46 42.31 3ig1 s ILE 63 CO 0.02 -0.87 0.05 -0.54 0.24 0.00 0.00 174.94 173.84 3ig1 s LYS 64 N -3.46 3.03 0.34 0.37 1.02 -1.26 -0.04 119.74 119.74 3ig1 s LYS 64 Ca 0.03 -0.45 -0.05 0.00 0.02 0.00 0.00 55.97 55.52 3ig1 s LYS 64 Cb 0.04 -2.84 0.08 0.00 -0.52 0.00 0.00 37.83 34.59 3ig1 s LYS 64 CO -0.08 0.67 0.47 1.63 -0.92 0.00 0.00 175.35 177.12 3ig1 n LYS 65 N 1.60 -0.32 -0.34 1.68 5.02 -1.26 -4.65 118.16 119.90 3ig1 n LYS 65 Ca -0.16 -0.81 0.02 0.00 -2.02 0.00 0.00 58.31 55.34 3ig1 n LYS 65 Cb 0.53 -0.45 0.08 0.00 -0.02 0.00 0.00 35.03 35.17 3ig1 n LYS 65 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ig1 n LYS 66 N -1.97 -0.15 -3.45 1.97 4.76 -1.26 -4.15 118.16 113.91 3ig1 n LYS 66 Ca 0.06 1.41 -0.09 0.00 -2.87 0.00 0.00 58.31 56.82 3ig1 n LYS 66 Cb 0.21 -2.09 -0.08 0.00 -1.84 0.00 0.00 35.03 31.23 3ig1 n LYS 66 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3ig1 s ASP 67 N -5.29 0.04 0.15 4.39 -1.08 -1.26 -5.15 116.67 108.48 3ig1 s ASP 67 Ca -0.13 0.50 -0.24 0.00 -0.52 0.00 0.00 52.55 52.16 3ig1 s ASP 67 Cb 0.21 1.21 0.06 0.00 -1.46 0.00 0.00 42.92 42.95 3ig1 s ASP 67 CO 0.68 -0.28 0.74 -0.44 0.52 0.00 0.00 175.17 176.39 3ig1 s SER 68 N 2.57 -0.40 0.28 -0.34 0.01 -1.26 -4.97 113.70 109.60 3ig1 s SER 68 Ca 0.08 -0.20 0.26 0.00 1.31 0.00 0.00 55.95 57.40 3ig1 s SER 68 Cb -0.14 0.57 0.81 0.00 0.21 0.00 0.00 66.02 67.47 3ig1 s SER 68 CO -0.15 -0.98 1.75 0.74 0.41 0.00 0.00 173.24 175.02 3ig1 h THR 69 N 2.00 0.00 -3.22 1.44 2.02 -2.01 -3.46 112.91 109.69 3ig1 h THR 69 Ca -0.27 -0.51 -0.65 0.00 0.77 0.00 0.00 66.41 65.75 3ig1 h THR 69 Cb 1.27 1.45 -0.15 0.00 -1.74 0.00 0.00 68.15 68.98 3ig1 h THR 69 CO 0.31 0.00 -0.59 -0.75 0.37 0.00 0.00 175.52 174.86 3ig1 s LYS 70 N -3.21 3.47 0.11 6.66 2.20 -1.26 -5.10 119.74 122.61 3ig1 s LYS 70 Ca 0.08 -0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.03 3ig1 s LYS 70 Cb 0.10 -3.00 -0.06 0.00 -1.51 0.00 0.00 37.83 33.36 3ig1 s LYS 70 CO 0.56 0.51 1.05 -1.58 -0.36 0.00 0.00 175.35 175.53 3ig1 s TRP 71 N -0.32 3.66 -0.15 4.03 0.52 -1.26 -4.25 118.94 121.16 3ig1 s TRP 71 Ca 0.08 1.64 -0.00 0.00 0.02 0.00 0.00 56.10 57.84 3ig1 s TRP 71 Cb -0.12 -3.19 -0.01 0.00 -1.15 0.00 0.00 33.47 29.00 3ig1 s TRP 71 CO 0.02 -0.32 -0.14 0.50 0.02 0.00 0.00 176.95 177.03 3ig1 s ARG 72 N 0.21 3.29 0.04 4.98 3.52 0.95 -4.80 118.95 127.14 3ig1 s ARG 72 Ca 0.50 -0.72 -0.31 0.00 -0.13 0.00 0.00 55.73 55.08 3ig1 s ARG 72 Cb -0.26 -2.65 -0.06 0.00 -1.56 0.00 0.00 34.95 30.42 3ig1 s ARG 72 CO 0.31 0.07 1.32 0.21 -0.81 0.00 0.00 175.30 176.40 3ig1 s LYS 73 N 0.69 4.34 -0.18 5.12 2.20 -1.26 -2.13 119.74 128.53 3ig1 s LYS 73 Ca -0.07 1.91 0.01 0.00 -0.36 0.00 0.00 55.97 57.46 3ig1 s LYS 73 Cb -0.15 -3.42 0.02 0.00 -1.51 0.00 0.00 37.83 32.77 3ig1 s LYS 73 CO 0.02 -0.43 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.23 3ig1 s LEU 74 N 1.64 2.07 -0.17 5.43 2.96 -0.58 -4.89 118.68 125.15 3ig1 s LEU 74 Ca 0.62 -0.65 -0.10 0.00 -0.22 0.00 0.00 54.13 53.78 3ig1 s LEU 74 Cb -0.32 -1.39 -0.05 0.00 0.50 0.00 0.00 46.19 44.94 3ig1 s LEU 74 CO 0.28 -0.03 0.16 -0.69 -1.32 0.00 0.00 176.35 174.74 3ig1 s VAL 75 N 1.34 5.42 -1.04 1.68 1.01 -1.26 -1.80 120.40 125.75 3ig1 s VAL 75 Ca 0.04 0.25 -0.17 0.00 0.00 0.00 0.00 61.98 62.11 3ig1 s VAL 75 Cb -0.13 -3.47 0.15 0.00 0.00 0.00 0.00 36.38 32.92 3ig1 s VAL 75 CO -0.12 0.49 1.23 -0.62 0.00 0.00 0.00 175.10 176.09 3ig1 s ASP 76 N -0.05 6.82 0.00 3.32 2.15 -1.15 -4.81 116.67 122.94 3ig1 s ASP 76 Ca 0.11 -2.46 0.17 0.00 0.43 0.00 0.00 52.55 50.81 3ig1 s ASP 76 Cb -0.12 -2.39 0.77 0.00 -0.30 0.00 0.00 42.92 40.88 3ig1 s ASP 76 CO 0.01 -0.91 1.53 0.49 -0.17 0.00 0.00 175.17 176.11 3ig1 n PHE 77 N 6.06 0.14 -0.30 -5.34 3.01 -1.26 -4.27 117.46 115.50 3ig1 n PHE 77 Ca 0.29 -0.07 0.08 0.00 1.01 0.00 0.00 57.45 58.75 3ig1 n PHE 77 Cb 0.46 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 40.10 3ig1 n PHE 77 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3ig1 n ARG 78 N -0.14 -0.07 -0.01 -1.08 1.74 -1.26 0.04 116.66 115.88 3ig1 n ARG 78 Ca 0.13 1.28 -0.09 0.00 -0.77 0.00 0.00 57.85 58.40 3ig1 n ARG 78 Cb 0.20 -1.95 0.06 0.00 -1.02 0.00 0.00 32.46 29.75 3ig1 n ARG 78 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3ig1 h GLU 79 N 0.00 0.60 0.00 5.56 4.57 -2.00 -2.82 114.58 120.49 3ig1 h GLU 79 Ca 0.44 -0.35 -0.12 0.00 -1.18 0.00 0.00 59.36 58.15 3ig1 h GLU 79 Cb 0.76 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 3ig1 h GLU 79 CO -0.83 0.95 -0.57 1.25 -1.18 0.00 0.00 179.01 178.63 3ig1 h LEU 80 N 0.47 0.00 -0.18 1.64 5.85 -0.77 -3.15 115.31 119.18 3ig1 h LEU 80 Ca 0.02 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3ig1 h LEU 80 Cb 1.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3ig1 h LEU 80 CO 0.10 0.57 0.02 0.78 -0.34 0.00 0.00 178.44 179.57 3ig1 h ASN 81 N 0.00 0.28 -0.02 1.25 2.35 -0.23 -1.59 115.58 117.62 3ig1 h ASN 81 Ca -0.01 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 3ig1 h ASN 81 Cb 1.20 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.50 3ig1 h ASN 81 CO 0.07 0.48 0.00 2.29 -1.65 0.00 0.00 177.43 178.62 3ig1 n LYS 82 N -4.76 1.06 0.00 0.81 2.85 -1.08 -2.42 118.16 114.62 3ig1 n LYS 82 Ca -0.05 -0.09 0.01 0.00 -1.05 0.00 0.00 58.31 57.13 3ig1 n LYS 82 Cb 0.19 -1.14 -0.00 0.00 -0.65 0.00 0.00 35.03 33.43 3ig1 n LYS 82 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3ig1 n ARG 83 N -0.54 2.61 -3.19 -1.58 1.74 -1.07 -4.97 116.66 109.66 3ig1 n ARG 83 Ca 0.06 -0.33 -0.40 0.00 -0.77 0.00 0.00 57.85 56.42 3ig1 n ARG 83 Cb 0.05 -0.82 -0.07 0.00 -1.02 0.00 0.00 32.46 30.60 3ig1 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ig1 s THR 84 N -0.62 5.05 -0.02 0.55 2.01 -0.62 -1.27 115.64 120.73 3ig1 s THR 84 Ca 0.01 1.01 -0.38 0.00 0.31 0.00 0.00 61.69 62.64 3ig1 s THR 84 Cb 0.01 -3.88 -0.17 0.00 0.01 0.00 0.00 72.50 68.48 3ig1 s THR 84 CO 0.04 0.11 1.39 0.00 -0.69 0.00 0.00 174.62 175.47 3ig1 n GLN 85 N 5.24 0.93 -1.63 4.92 10.64 -0.80 -4.76 117.38 131.92 3ig1 n GLN 85 Ca -0.03 0.34 -0.37 0.00 -1.83 0.00 0.00 57.00 55.11 3ig1 n GLN 85 Cb 0.50 -1.96 0.06 0.00 -0.86 0.00 0.00 30.24 27.98 3ig1 n GLN 85 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3ig1 n ASP 86 N 2.98 1.11 -4.42 2.61 8.00 -1.26 -4.89 116.55 120.68 3ig1 n ASP 86 Ca 0.21 0.79 -0.45 0.00 0.71 0.00 0.00 54.79 56.05 3ig1 n ASP 86 Cb 0.15 -1.44 -0.03 0.00 -0.02 0.00 0.00 41.12 39.78 3ig1 n ASP 86 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ig1 s PHE 87 N -1.51 3.22 -0.26 1.24 0.40 -1.26 -4.97 117.98 114.84 3ig1 s PHE 87 Ca 0.78 -1.45 -0.02 0.00 -0.60 0.00 0.00 56.93 55.64 3ig1 s PHE 87 Cb -0.40 -4.17 0.12 0.00 0.51 0.00 0.00 43.02 39.08 3ig1 s PHE 87 CO 0.45 -1.38 0.26 -1.58 0.70 0.00 0.00 175.22 173.66 3ig1 s TRP 88 N 2.23 -0.33 0.00 0.36 0.51 -1.26 -2.47 118.94 117.98 3ig1 s TRP 88 Ca 0.28 -0.10 0.00 0.00 -2.12 0.00 0.00 56.10 54.16 3ig1 s TRP 88 Cb -0.08 -0.46 0.00 0.00 -0.81 0.00 0.00 33.47 32.12 3ig1 s TRP 88 CO -0.07 -0.81 0.00 0.39 -0.51 0.00 0.00 176.95 175.95 3ig1 n GLU 89 N 5.31 0.00 -3.82 4.98 4.71 -1.26 -5.12 120.64 125.44 3ig1 n GLU 89 Ca -0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.03 3ig1 n GLU 89 Cb 0.47 -0.00 0.02 0.00 -1.01 0.00 0.00 31.44 30.91 3ig1 n GLU 89 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3ig1 s LEU 92 N -1.97 0.02 0.05 -4.62 1.43 -1.24 -5.28 118.68 107.07 3ig1 s LEU 92 Ca 0.00 -1.11 -0.01 0.00 -1.03 0.00 0.00 54.13 51.97 3ig1 s LEU 92 Cb 0.00 2.78 -0.04 0.00 0.03 0.00 0.00 46.19 48.97 3ig1 s LEU 92 CO 0.00 -1.65 -0.02 -0.83 0.23 0.00 0.00 176.35 174.09 3ig1 s GLY 93 N -3.06 0.44 0.20 -3.19 0.00 -1.03 -4.65 107.32 96.02 3ig1 s GLY 93 Ca 0.16 -1.16 -0.09 0.00 0.00 0.00 0.00 44.72 43.62 3ig1 s GLY 93 CO 0.11 -1.27 0.51 -0.42 0.00 0.00 0.00 173.10 172.04 3ig1 s ILE 94 N -3.85 4.97 -0.06 0.90 1.01 -1.26 -5.09 121.20 117.82 3ig1 s ILE 94 Ca 0.06 0.45 -0.11 0.00 0.00 0.00 0.00 60.65 61.05 3ig1 s ILE 94 Cb 0.07 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 3ig1 s ILE 94 CO -0.10 0.01 0.28 -2.16 0.00 0.00 0.00 174.94 172.97 3ig1 s PRO 95 N -2.63 3.72 -0.11 2.79 0.04 -1.26 -5.09 135.00 132.47 3ig1 s PRO 95 Ca 0.44 0.15 -0.17 0.00 0.04 0.00 0.00 61.00 61.46 3ig1 s PRO 95 Cb -0.12 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 3ig1 s PRO 95 CO 0.21 0.70 0.43 -1.58 0.04 0.00 0.00 177.00 176.80 3ig1 s HIS 96 N -0.96 3.53 -0.75 0.56 2.46 -1.26 -4.91 115.29 113.95 3ig1 s HIS 96 Ca 0.19 0.83 -0.22 0.00 0.47 0.00 0.00 55.06 56.33 3ig1 s HIS 96 Cb -0.14 -2.47 0.08 0.00 -0.13 0.00 0.00 32.58 29.91 3ig1 s HIS 96 CO 0.09 0.24 1.07 -1.25 -2.47 0.00 0.00 174.74 172.42 3ig1 s PRO 97 N 0.39 3.25 0.09 2.88 0.04 -1.26 -4.92 135.00 135.47 3ig1 s PRO 97 Ca 0.23 -0.97 0.05 0.00 0.04 0.00 0.00 61.00 60.36 3ig1 s PRO 97 Cb -0.15 -4.45 0.26 0.00 0.04 0.00 0.00 34.50 30.20 3ig1 s PRO 97 CO 0.09 -1.88 1.04 0.00 0.04 0.00 0.00 177.00 176.29 3ig1 n ALA 98 N 7.77 0.77 0.16 8.56 0.00 -1.26 -0.98 120.51 135.54 3ig1 n ALA 98 Ca 0.05 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.61 3ig1 n ALA 98 Cb 0.47 -0.83 0.07 0.00 0.00 0.00 0.00 19.45 19.16 3ig1 n ALA 98 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ig1 h GLY 99 N 0.00 0.00 0.13 0.00 0.00 -1.95 -3.35 103.07 97.90 3ig1 h GLY 99 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 3ig1 h GLY 99 CO 0.00 0.00 0.22 -2.00 0.00 0.00 0.00 176.54 174.76 3ig1 h LEU 100 N 0.00 0.14 -1.56 3.11 5.85 -1.38 -0.83 115.31 120.64 3ig1 h LEU 100 Ca -0.02 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3ig1 h LEU 100 Cb 1.20 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 3ig1 h LEU 100 CO 0.03 0.05 0.12 0.07 -0.34 0.00 0.00 178.44 178.37 3ig1 h LYS 101 N 0.35 0.41 0.00 1.25 2.10 -1.78 -2.50 116.57 116.41 3ig1 h LYS 101 Ca 0.38 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 3ig1 h LYS 101 Cb 0.58 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 3ig1 h LYS 101 CO -0.42 0.34 0.00 1.63 -2.00 0.00 0.00 179.45 179.01 3ig1 n LYS 102 N -4.42 0.09 -1.81 0.07 4.01 -0.33 -3.68 118.16 112.10 3ig1 n LYS 102 Ca 0.01 0.08 -0.32 0.00 -0.51 0.00 0.00 58.31 57.57 3ig1 n LYS 102 Cb 0.13 -1.50 0.03 0.00 -0.51 0.00 0.00 35.03 33.18 3ig1 n LYS 102 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3ig1 s LYS 103 N -2.89 3.03 0.23 1.97 -0.14 -0.94 -4.73 119.74 116.26 3ig1 s LYS 103 Ca 0.15 1.19 0.12 0.00 -1.36 0.00 0.00 55.97 56.06 3ig1 s LYS 103 Cb 0.16 -1.99 0.05 0.00 -1.68 0.00 0.00 37.83 34.37 3ig1 s LYS 103 CO 0.42 -1.05 1.43 0.87 -0.76 0.00 0.00 175.35 176.26 3ig1 h LYS 104 N -0.05 0.00 -2.86 1.68 1.79 -1.89 -2.81 116.57 112.43 3ig1 h LYS 104 Ca -0.46 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 57.86 3ig1 h LYS 104 Cb 1.22 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.60 3ig1 h LYS 104 CO 0.56 0.68 -0.37 -1.12 -1.08 0.00 0.00 179.45 178.12 3ig1 s SER 105 N -6.58 -0.38 -0.07 0.86 0.01 -1.04 -4.55 113.70 101.95 3ig1 s SER 105 Ca 0.02 0.70 0.02 0.00 1.31 0.00 0.00 55.95 57.99 3ig1 s SER 105 Cb 0.09 0.62 0.02 0.00 0.21 0.00 0.00 66.02 66.96 3ig1 s SER 105 CO 0.77 -0.16 -0.10 -0.69 0.41 0.00 0.00 173.24 173.47 3ig1 s VAL 106 N 1.00 1.01 -0.03 3.43 1.01 -0.98 -0.87 120.40 124.96 3ig1 s VAL 106 Ca -0.07 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.57 3ig1 s VAL 106 Cb -0.07 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 3ig1 s VAL 106 CO -0.07 0.34 -0.15 -0.89 0.00 0.00 0.00 175.10 174.32 3ig1 s THR 107 N 0.89 3.00 -0.17 3.92 2.01 0.12 0.34 115.64 125.75 3ig1 s THR 107 Ca -0.11 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 3ig1 s THR 107 Cb -0.15 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 3ig1 s THR 107 CO 0.01 0.55 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.77 3ig1 s VAL 108 N -0.77 3.93 -0.03 3.82 1.01 -0.24 -0.03 120.40 128.10 3ig1 s VAL 108 Ca 0.12 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.83 3ig1 s VAL 108 Cb -0.11 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 3ig1 s VAL 108 CO 0.01 0.48 -0.23 -0.76 0.00 0.00 0.00 175.10 174.60 3ig1 s LEU 109 N 0.50 2.03 -0.71 3.92 1.02 -0.53 -2.89 118.68 122.03 3ig1 s LEU 109 Ca -0.03 -0.44 -0.23 0.00 0.02 0.00 0.00 54.13 53.45 3ig1 s LEU 109 Cb -0.14 -1.23 0.07 0.00 0.02 0.00 0.00 46.19 44.91 3ig1 s LEU 109 CO 0.03 0.26 1.06 -0.62 0.02 0.00 0.00 176.35 177.09 3ig1 s ASP 110 N -0.36 6.21 0.00 2.29 2.15 -1.26 -0.94 116.67 124.76 3ig1 s ASP 110 Ca 0.04 -0.98 0.23 0.00 0.43 0.00 0.00 52.55 52.27 3ig1 s ASP 110 Cb -0.11 -2.45 0.11 0.00 -0.30 0.00 0.00 42.92 40.17 3ig1 s ASP 110 CO 0.01 -1.50 1.15 1.33 -0.17 0.00 0.00 175.17 175.99 3ig1 n VAL 111 N 6.02 0.00 -0.30 1.11 0.24 -1.06 -4.49 118.33 119.85 3ig1 n VAL 111 Ca 0.01 -0.17 0.29 0.00 -2.04 0.00 0.00 64.34 62.43 3ig1 n VAL 111 Cb 0.47 1.01 0.53 0.00 -1.47 0.00 0.00 33.84 34.37 3ig1 n VAL 111 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ig1 n GLY 112 N 1.43 -0.67 0.40 7.63 0.00 -1.03 0.80 105.19 113.74 3ig1 n GLY 112 Ca 0.09 0.70 0.21 0.00 0.00 0.00 0.00 46.02 47.01 3ig1 n GLY 112 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3ig1 h ASP 113 N 0.00 0.49 0.39 1.61 3.58 -1.82 0.39 116.42 121.06 3ig1 h ASP 113 Ca 0.75 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 58.27 3ig1 h ASP 113 Cb 2.06 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 43.11 3ig1 h ASP 113 CO -0.62 0.12 -0.05 0.00 -2.88 0.00 0.00 179.24 175.81 3ig1 h ALA 114 N 1.63 1.13 0.00 -0.78 0.00 0.03 -2.94 119.26 118.33 3ig1 h ALA 114 Ca 0.57 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.39 3ig1 h ALA 114 Cb 1.37 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3ig1 h ALA 114 CO -0.29 0.06 -0.24 1.88 0.00 0.00 0.00 179.25 180.66 3ig1 h TYR 115 N 0.00 0.00 0.00 0.00 0.99 -1.05 -2.97 116.97 113.94 3ig1 h TYR 115 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3ig1 h TYR 115 Cb 0.25 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.98 3ig1 h TYR 115 CO 0.00 0.24 0.00 1.19 -0.00 0.00 0.00 178.16 179.59 3ig1 n PHE 116 N -4.02 0.14 1.19 4.88 0.99 -1.11 -2.61 117.46 116.93 3ig1 n PHE 116 Ca -0.02 0.06 0.14 0.00 -0.00 0.00 0.00 57.45 57.63 3ig1 n PHE 116 Cb 0.31 -0.60 0.59 0.00 -1.00 0.00 0.00 39.48 38.77 3ig1 n PHE 116 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3ig1 n SER 117 N -1.63 0.21 -4.42 4.37 3.41 -1.12 -4.72 113.62 109.71 3ig1 n SER 117 Ca 0.01 -0.03 -0.34 0.00 -0.26 0.00 0.00 58.87 58.25 3ig1 n SER 117 Cb 0.09 -0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 63.68 3ig1 n SER 117 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ig1 s VAL 118 N -2.78 3.63 0.45 -3.33 1.01 -1.07 -5.05 120.40 113.26 3ig1 s VAL 118 Ca 0.20 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.50 3ig1 s VAL 118 Cb 0.19 -2.60 -0.08 0.00 0.00 0.00 0.00 36.38 33.89 3ig1 s VAL 118 CO 0.53 0.47 1.30 -2.16 0.00 0.00 0.00 175.10 175.24 3ig1 s PRO 119 N 0.76 3.75 -0.07 2.72 0.04 -1.26 -1.34 135.00 139.59 3ig1 s PRO 119 Ca -0.02 2.12 -0.10 0.00 0.04 0.00 0.00 61.00 63.04 3ig1 s PRO 119 Cb -0.15 -2.59 -0.05 0.00 0.04 0.00 0.00 34.50 31.76 3ig1 s PRO 119 CO 0.02 -0.66 0.25 -1.17 0.04 0.00 0.00 177.00 175.48 3ig1 s LEU 120 N -2.77 4.42 -0.40 -3.56 2.96 -0.58 -4.68 118.68 114.07 3ig1 s LEU 120 Ca 0.61 0.67 -0.43 0.00 -0.22 0.00 0.00 54.13 54.77 3ig1 s LEU 120 Cb -0.37 -2.29 -0.17 0.00 0.50 0.00 0.00 46.19 43.86 3ig1 s LEU 120 CO 0.47 0.37 1.79 -0.67 -1.32 0.00 0.00 176.35 176.98 3ig1 n ASP 121 N 1.95 1.73 -0.35 3.68 2.03 -1.26 -4.78 116.55 119.55 3ig1 n ASP 121 Ca -0.17 1.00 0.02 0.00 0.52 0.00 0.00 54.79 56.16 3ig1 n ASP 121 Cb 0.54 -1.03 0.09 0.00 -0.72 0.00 0.00 41.12 40.00 3ig1 n ASP 121 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3ig1 h GLU 122 N 7.15 -0.01 0.00 -0.67 3.07 -1.94 0.48 114.58 122.65 3ig1 h GLU 122 Ca -0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 3ig1 h GLU 122 Cb 1.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.26 3ig1 h GLU 122 CO 0.99 -0.01 0.00 -0.25 -1.40 0.00 0.00 179.01 178.35 3ig1 n ASP 123 N -5.55 0.62 -0.27 1.42 8.00 -1.26 -2.39 116.55 117.12 3ig1 n ASP 123 Ca 0.13 0.66 0.11 0.00 0.71 0.00 0.00 54.79 56.40 3ig1 n ASP 123 Cb 0.44 -0.79 0.07 0.00 -0.02 0.00 0.00 41.12 40.82 3ig1 n ASP 123 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3ig1 n PHE 124 N -2.19 0.00 -0.14 1.24 7.35 0.16 -4.44 117.46 119.45 3ig1 n PHE 124 Ca 0.02 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.63 3ig1 n PHE 124 Cb 0.21 -0.05 0.01 0.00 0.35 0.00 0.00 39.48 40.00 3ig1 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ig1 h ARG 125 N 1.31 0.59 -1.02 -4.13 3.08 -1.07 -3.05 114.38 110.10 3ig1 h ARG 125 Ca 0.00 -0.05 0.26 0.00 0.07 0.00 0.00 59.98 60.25 3ig1 h ARG 125 Cb 0.61 -0.12 -0.12 0.00 0.08 0.00 0.00 29.97 30.42 3ig1 h ARG 125 CO 0.00 0.43 0.62 1.57 -1.07 0.00 0.00 179.97 181.52 3ig1 h LYS 126 N 0.58 0.51 0.00 0.04 2.10 -1.78 0.47 116.57 118.49 3ig1 h LYS 126 Ca 0.16 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 3ig1 h LYS 126 Cb -0.00 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.21 3ig1 h LYS 126 CO -0.03 0.34 0.00 0.66 -2.00 0.00 0.00 179.45 178.42 3ig1 n TYR 127 N -4.83 0.00 -0.44 0.07 0.53 -1.15 -2.46 117.16 108.88 3ig1 n TYR 127 Ca 0.27 0.00 0.08 0.00 -1.02 0.00 0.00 57.90 57.23 3ig1 n TYR 127 Cb 0.79 -0.07 0.26 0.00 -1.03 0.00 0.00 39.34 39.29 3ig1 n TYR 127 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 3ig1 n THR 128 N -1.07 1.38 -1.73 -0.72 -2.24 0.16 -4.76 114.28 105.30 3ig1 n THR 128 Ca 0.09 -1.16 -0.38 0.00 -2.27 0.00 0.00 64.05 60.32 3ig1 n THR 128 Cb 0.06 0.31 0.05 0.00 -2.10 0.00 0.00 70.33 68.65 3ig1 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ig1 n ALA 129 N 0.80 1.37 -3.16 6.98 0.00 -1.03 -4.22 120.51 121.26 3ig1 n ALA 129 Ca 0.19 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.64 3ig1 n ALA 129 Cb 0.65 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.73 3ig1 n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3ig1 s PHE 130 N -1.32 -0.00 -0.02 0.00 -0.12 -0.36 -1.32 117.98 114.84 3ig1 s PHE 130 Ca 0.74 -0.35 0.01 0.00 -0.05 0.00 0.00 56.93 57.28 3ig1 s PHE 130 Cb -0.41 0.29 0.01 0.00 -0.63 0.00 0.00 43.02 42.27 3ig1 s PHE 130 CO 0.47 -0.87 -0.05 0.95 -0.05 0.00 0.00 175.22 175.68 3ig1 s THR 131 N -3.89 0.44 -0.23 -4.49 -4.23 -1.26 -1.78 115.64 100.20 3ig1 s THR 131 Ca 0.11 -0.17 -0.19 0.00 -1.18 0.00 0.00 61.69 60.26 3ig1 s THR 131 Cb 0.00 -0.42 -0.03 0.00 1.34 0.00 0.00 72.50 73.39 3ig1 s THR 131 CO -0.02 0.16 0.55 -0.63 -0.54 0.00 0.00 174.62 174.13 3ig1 s ILE 132 N 0.30 5.06 0.46 2.99 1.01 0.27 -4.79 121.20 126.50 3ig1 s ILE 132 Ca -0.03 0.99 -0.21 0.00 0.00 0.00 0.00 60.65 61.40 3ig1 s ILE 132 Cb -0.07 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 3ig1 s ILE 132 CO -0.00 0.12 1.00 -2.16 0.00 0.00 0.00 174.94 173.90 3ig1 s PRO 133 N 2.00 3.99 -0.04 2.79 0.04 -1.26 -2.41 135.00 140.12 3ig1 s PRO 133 Ca 0.24 1.28 0.01 0.00 0.04 0.00 0.00 61.00 62.57 3ig1 s PRO 133 Cb -0.16 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 3ig1 s PRO 133 CO 0.09 -0.25 -0.04 -1.54 0.04 0.00 0.00 177.00 175.30 3ig1 s SER 134 N -2.03 4.87 0.11 6.66 1.04 -1.26 -4.93 113.70 118.16 3ig1 s SER 134 Ca 0.65 -0.02 -0.31 0.00 0.48 0.00 0.00 55.95 56.75 3ig1 s SER 134 Cb -0.14 -1.25 -0.10 0.00 0.10 0.00 0.00 66.02 64.63 3ig1 s SER 134 CO 0.18 0.32 1.86 -0.63 0.98 0.00 0.00 173.24 175.95 3ig1 s ILE 135 N -0.94 2.59 -1.88 -1.02 -1.09 -1.26 -1.98 121.20 115.63 3ig1 s ILE 135 Ca 0.16 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 3ig1 s ILE 135 Cb -0.11 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 3ig1 s ILE 135 CO 0.05 -0.00 0.00 -3.20 -1.23 0.00 0.00 174.94 170.56 3ig1 n ASN 136 N 5.99 -5.46 -2.89 3.58 5.15 -1.26 -2.65 115.26 117.72 3ig1 n ASN 136 Ca 0.18 0.25 -0.18 0.00 -0.60 0.00 0.00 54.58 54.23 3ig1 n ASN 136 Cb 0.39 -4.58 0.00 0.00 -0.53 0.00 0.00 39.78 35.05 3ig1 n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3ig1 n ASN 137 N -1.41 -4.15 0.13 1.20 3.02 -0.84 -4.87 115.26 108.35 3ig1 n ASN 137 Ca -0.21 -0.11 -0.07 0.00 -0.03 0.00 0.00 54.58 54.16 3ig1 n ASN 137 Cb 0.66 -3.46 -0.04 0.00 -0.61 0.00 0.00 39.78 36.33 3ig1 n ASN 137 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3ig1 h GLU 138 N -0.58 -0.40 -6.13 3.52 4.81 -1.71 -3.42 114.58 110.67 3ig1 h GLU 138 Ca -0.38 0.03 -0.57 0.00 -0.13 0.00 0.00 59.36 58.30 3ig1 h GLU 138 Cb 1.27 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 3ig1 h GLU 138 CO 0.45 -0.27 -0.36 -0.08 -0.73 0.00 0.00 179.01 178.03 3ig1 s THR 139 N -4.09 5.23 0.65 0.32 -1.32 -1.26 -5.09 115.64 110.07 3ig1 s THR 139 Ca -0.07 -0.19 -0.11 0.00 -1.21 0.00 0.00 61.69 60.11 3ig1 s THR 139 Cb 0.01 -3.66 -0.01 0.00 -1.51 0.00 0.00 72.50 67.33 3ig1 s THR 139 CO 0.23 -0.01 1.05 -2.16 -2.21 0.00 0.00 174.62 171.51 3ig1 s PRO 140 N -2.85 3.24 0.18 7.08 0.04 -1.26 -4.48 135.00 136.95 3ig1 s PRO 140 Ca 0.39 0.57 -0.33 0.00 0.04 0.00 0.00 61.00 61.68 3ig1 s PRO 140 Cb -0.12 -2.07 -0.15 0.00 0.04 0.00 0.00 34.50 32.20 3ig1 s PRO 140 CO 0.27 -0.77 1.24 0.41 0.04 0.00 0.00 177.00 178.19 3ig1 n GLY 141 N -2.84 0.26 3.64 0.56 0.00 -1.26 -4.86 105.19 100.68 3ig1 n GLY 141 Ca 0.06 0.54 -0.41 0.00 0.00 0.00 0.00 46.02 46.20 3ig1 n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ig1 s ILE 142 N -0.11 4.89 -0.10 -0.61 1.01 -1.01 -4.90 121.20 120.37 3ig1 s ILE 142 Ca 0.73 1.44 0.01 0.00 0.00 0.00 0.00 60.65 62.82 3ig1 s ILE 142 Cb -0.81 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 37.58 3ig1 s ILE 142 CO 0.51 -0.03 -0.12 -0.13 0.00 0.00 0.00 174.94 175.17 3ig1 s ARG 143 N 2.64 3.11 0.28 2.79 0.52 -1.26 -0.57 118.95 126.46 3ig1 s ARG 143 Ca 0.33 -0.66 0.03 0.00 -0.52 0.00 0.00 55.73 54.91 3ig1 s ARG 143 Cb -0.15 -2.58 -0.06 0.00 0.52 0.00 0.00 34.95 32.68 3ig1 s ARG 143 CO 0.08 0.37 0.03 0.71 0.02 0.00 0.00 175.30 176.51 3ig1 s TYR 144 N -0.05 1.75 -0.00 -0.53 1.51 -0.73 -1.53 117.35 117.76 3ig1 s TYR 144 Ca -0.02 -0.96 -0.08 0.00 -1.01 0.00 0.00 57.07 54.99 3ig1 s TYR 144 Cb -0.14 -1.07 0.01 0.00 -0.11 0.00 0.00 41.96 40.65 3ig1 s TYR 144 CO 0.04 -0.05 0.17 1.14 -1.11 0.00 0.00 175.55 175.74 3ig1 s GLN 145 N -3.89 0.50 0.46 -0.62 -2.07 -0.84 -1.23 119.66 111.98 3ig1 s GLN 145 Ca 0.33 -0.34 -0.16 0.00 -1.82 0.00 0.00 55.36 53.37 3ig1 s GLN 145 Cb 0.07 0.21 -0.08 0.00 -1.09 0.00 0.00 33.01 32.12 3ig1 s GLN 145 CO 0.12 -0.12 0.92 0.71 -1.32 0.00 0.00 175.29 175.61 3ig1 s TYR 146 N -1.31 3.42 0.00 9.60 1.51 -1.26 -1.43 117.35 127.88 3ig1 s TYR 146 Ca -0.14 1.41 0.00 0.00 -1.01 0.00 0.00 57.07 57.33 3ig1 s TYR 146 Cb -0.07 -2.73 0.00 0.00 -0.11 0.00 0.00 41.96 39.05 3ig1 s TYR 146 CO 0.02 -0.24 0.77 0.09 -1.11 0.00 0.00 175.55 175.08 3ig1 n ASN 147 N -1.24 1.53 -3.54 2.29 3.02 -0.43 -4.65 115.26 112.25 3ig1 n ASN 147 Ca 0.06 -1.54 -0.17 0.00 -0.03 0.00 0.00 54.58 52.90 3ig1 n ASN 147 Cb 0.54 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.63 3ig1 n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3ig1 s VAL 148 N -0.54 0.00 -0.21 2.41 -7.23 -1.25 -1.53 120.40 112.06 3ig1 s VAL 148 Ca 0.00 -1.94 -0.28 0.00 -1.81 0.00 0.00 61.98 57.95 3ig1 s VAL 148 Cb 0.00 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 3ig1 s VAL 148 CO 0.00 0.00 2.17 -0.76 -0.31 0.00 0.00 175.10 176.20 3ig1 s LEU 149 N -3.31 3.50 0.24 1.32 1.43 -0.45 -4.57 118.68 116.85 3ig1 s LEU 149 Ca 0.39 1.88 -0.27 0.00 -1.03 0.00 0.00 54.13 55.10 3ig1 s LEU 149 Cb 0.03 -3.51 -0.09 0.00 0.03 0.00 0.00 46.19 42.65 3ig1 s LEU 149 CO 0.23 -1.89 0.88 -2.16 0.23 0.00 0.00 176.35 173.64 3ig1 s PRO 150 N 6.18 4.68 1.38 1.29 0.04 -1.26 -3.83 135.00 143.48 3ig1 s PRO 150 Ca 0.98 1.32 -0.21 0.00 0.04 0.00 0.00 61.00 63.13 3ig1 s PRO 150 Cb -0.33 -3.15 0.35 0.00 0.04 0.00 0.00 34.50 31.42 3ig1 s PRO 150 CO 0.35 0.48 0.96 -0.65 0.04 0.00 0.00 177.00 178.18 3ig1 s GLN 151 N -1.40 -2.57 0.00 4.56 -0.21 -1.26 -3.05 119.66 115.72 3ig1 s GLN 151 Ca 0.42 0.18 0.00 0.00 0.02 0.00 0.00 55.36 55.97 3ig1 s GLN 151 Cb -0.23 -1.42 0.00 0.00 1.00 0.00 0.00 33.01 32.36 3ig1 s GLN 151 CO 0.28 -4.65 0.00 0.41 -2.12 0.00 0.00 175.29 169.21 3ig1 n GLY 152 N 1.06 0.00 3.90 3.09 0.00 -1.26 -4.89 105.19 107.08 3ig1 n GLY 152 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3ig1 n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ig1 s TRP 153 N -0.84 3.51 -0.00 1.61 -0.00 -1.17 -4.50 118.94 117.54 3ig1 s TRP 153 Ca 0.00 0.47 0.11 0.00 -0.00 0.00 0.00 56.10 56.69 3ig1 s TRP 153 Cb 0.00 -1.93 -0.16 0.00 -0.00 0.00 0.00 33.47 31.38 3ig1 s TRP 153 CO 0.00 0.51 1.09 -0.22 -0.00 0.00 0.00 176.95 178.33 3ig1 h LYS 154 N 3.10 0.00 0.00 5.86 3.64 -1.91 -3.17 116.57 124.09 3ig1 h LYS 154 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3ig1 h LYS 154 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3ig1 h LYS 154 CO 0.72 0.68 0.00 0.41 -2.27 0.00 0.00 179.45 179.00 3ig1 n GLY 155 N 1.39 -0.92 0.03 5.01 0.00 -1.26 -3.41 105.19 106.03 3ig1 n GLY 155 Ca -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 3ig1 n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ig1 h SER 156 N 0.00 -0.06 0.00 1.61 0.02 -1.82 -2.86 113.55 110.44 3ig1 h SER 156 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ig1 h SER 156 Cb 0.21 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3ig1 h SER 156 CO 0.00 -0.00 0.06 1.55 -1.14 0.00 0.00 176.83 177.29 3ig1 h PRO 157 N -0.16 0.00 -0.28 3.45 0.13 -1.74 -0.79 132.00 132.62 3ig1 h PRO 157 Ca -0.01 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.95 3ig1 h PRO 157 Cb 0.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.19 3ig1 h PRO 157 CO 0.01 0.00 -0.49 0.00 -0.23 0.00 0.00 178.00 177.30 3ig1 h ALA 158 N 1.88 0.44 0.00 -0.56 0.00 -1.62 -3.14 119.26 116.25 3ig1 h ALA 158 Ca 0.00 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 3ig1 h ALA 158 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3ig1 h ALA 158 CO 0.00 0.61 -0.75 0.82 0.00 0.00 0.00 179.25 179.93 3ig1 h ILE 159 N 0.59 0.69 -0.62 0.00 2.04 -0.93 -3.25 117.51 116.02 3ig1 h ILE 159 Ca 0.02 -2.05 -0.28 0.00 1.00 0.00 0.00 64.86 63.55 3ig1 h ILE 159 Cb 1.09 2.26 -0.17 0.00 -0.74 0.00 0.00 36.82 39.26 3ig1 h ILE 159 CO 0.11 0.39 0.36 0.33 0.00 0.00 0.00 178.15 179.34 3ig1 n PHE 160 N -3.10 1.97 -0.07 1.37 7.35 -0.68 -4.41 117.46 119.89 3ig1 n PHE 160 Ca -0.01 -1.23 -0.14 0.00 -0.76 0.00 0.00 57.45 55.31 3ig1 n PHE 160 Cb 0.75 -0.66 -0.13 0.00 0.35 0.00 0.00 39.48 39.79 3ig1 n PHE 160 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 3ig1 h GLN 161 N 1.10 0.00 -0.58 -4.13 4.15 -1.58 -1.56 115.11 112.51 3ig1 h GLN 161 Ca 0.35 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.75 3ig1 h GLN 161 Cb 2.13 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.79 3ig1 h GLN 161 CO 0.67 0.98 0.29 0.66 -1.93 0.00 0.00 178.83 179.51 3ig1 h SER 162 N -0.98 0.75 -0.24 -0.69 4.64 -1.85 -1.39 113.55 113.79 3ig1 h SER 162 Ca -0.00 -0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.13 3ig1 h SER 162 Cb 0.98 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.86 3ig1 h SER 162 CO 0.00 0.66 -0.08 0.28 -0.87 0.00 0.00 176.83 176.82 3ig1 h SER 163 N 0.79 0.59 0.91 4.97 0.02 -1.84 -2.31 113.55 116.67 3ig1 h SER 163 Ca 0.20 -0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 3ig1 h SER 163 Cb 0.10 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3ig1 h SER 163 CO -0.03 0.71 -0.57 -0.03 -1.14 0.00 0.00 176.83 175.77 3ig1 h MET 164 N 0.56 0.00 0.06 3.45 -1.53 -0.86 -2.92 114.93 113.70 3ig1 h MET 164 Ca 0.11 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.36 3ig1 h MET 164 Cb 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.53 3ig1 h MET 164 CO 0.03 0.57 -0.03 1.15 0.14 0.00 0.00 176.91 178.77 3ig1 h THR 165 N 0.00 1.25 -0.75 -0.77 2.02 -0.95 -2.73 112.91 110.97 3ig1 h THR 165 Ca -0.01 -1.25 0.13 0.00 0.77 0.00 0.00 66.41 66.06 3ig1 h THR 165 Cb 1.18 2.04 -0.05 0.00 -1.74 0.00 0.00 68.15 69.58 3ig1 h THR 165 CO 0.07 0.30 0.50 0.50 0.37 0.00 0.00 175.52 177.26 3ig1 h LYS 166 N -0.67 0.48 0.00 6.66 3.64 -1.47 0.07 116.57 125.29 3ig1 h LYS 166 Ca -0.01 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 3ig1 h LYS 166 Cb 0.56 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 3ig1 h LYS 166 CO 0.01 0.32 -0.73 0.82 -2.27 0.00 0.00 179.45 177.61 3ig1 h ILE 167 N 0.50 1.42 -0.00 2.00 2.04 -1.51 -3.29 117.51 118.66 3ig1 h ILE 167 Ca 0.36 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 63.64 3ig1 h ILE 167 Cb 0.72 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.23 3ig1 h ILE 167 CO -0.13 0.71 -0.77 0.18 0.00 0.00 0.00 178.15 178.15 3ig1 n LEU 168 N -3.52 0.88 -0.09 1.44 4.77 -0.42 -4.55 117.00 115.52 3ig1 n LEU 168 Ca -0.00 -0.33 -0.07 0.00 -0.03 0.00 0.00 56.01 55.58 3ig1 n LEU 168 Cb 0.75 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.74 3ig1 n LEU 168 CO 0.43 0.21 0.71 -0.08 -1.33 0.00 0.00 177.39 177.34 3ig1 h GLU 169 N 0.17 -0.17 -0.87 3.23 4.81 -1.11 0.18 114.58 120.82 3ig1 h GLU 169 Ca 0.00 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3ig1 h GLU 169 Cb 0.51 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 3ig1 h GLU 169 CO 0.00 -0.11 0.56 -1.00 -0.73 0.00 0.00 179.01 177.73 3ig1 h PRO 170 N -0.17 1.04 -0.25 0.92 0.13 -1.82 0.75 132.00 132.60 3ig1 h PRO 170 Ca 0.17 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 65.12 3ig1 h PRO 170 Cb 0.43 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 3ig1 h PRO 170 CO -0.44 0.69 -0.33 0.35 -0.23 0.00 0.00 178.00 178.04 3ig1 h PHE 171 N 1.07 0.60 0.28 1.56 3.57 -1.69 -2.17 116.94 120.15 3ig1 h PHE 171 Ca 0.36 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3ig1 h PHE 171 Cb 0.05 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.65 3ig1 h PHE 171 CO -0.02 0.79 -0.13 0.87 -2.23 0.00 0.00 178.31 177.58 3ig1 h LYS 172 N 0.44 -0.36 -0.08 1.11 1.57 0.36 0.51 116.57 120.12 3ig1 h LYS 172 Ca 0.05 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3ig1 h LYS 172 Cb 0.79 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 3ig1 h LYS 172 CO 0.06 -0.02 -0.11 0.87 -0.57 0.00 0.00 179.45 179.68 3ig1 h LYS 173 N -0.75 -0.15 -0.01 3.15 1.57 -0.91 -0.44 116.57 119.03 3ig1 h LYS 173 Ca -0.04 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3ig1 h LYS 173 Cb 0.50 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 3ig1 h LYS 173 CO 0.06 -0.10 -0.01 1.96 -0.57 0.00 0.00 179.45 180.80 3ig1 h GLN 174 N -0.15 0.01 -4.00 3.15 4.20 -1.46 -3.33 115.11 113.53 3ig1 h GLN 174 Ca 0.07 -0.01 -0.78 0.00 0.06 0.00 0.00 58.65 58.00 3ig1 h GLN 174 Cb 0.25 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 27.78 3ig1 h GLN 174 CO -0.17 0.51 0.15 -0.80 -0.67 0.00 0.00 178.83 177.84 3ig1 s ASN 175 N -5.72 6.69 0.09 1.46 0.01 0.18 -4.89 114.94 112.76 3ig1 s ASN 175 Ca -0.16 -2.52 0.15 0.00 -0.71 0.00 0.00 52.86 49.63 3ig1 s ASN 175 Cb 0.02 -2.23 -0.12 0.00 0.41 0.00 0.00 41.25 39.33 3ig1 s ASN 175 CO 0.68 -0.66 0.94 1.55 -1.51 0.00 0.00 177.10 178.09 3ig1 h PRO 176 N 8.01 0.00 -0.01 -0.60 0.13 -1.20 -3.32 132.00 135.02 3ig1 h PRO 176 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3ig1 h PRO 176 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3ig1 h PRO 176 CO 0.82 0.39 -0.20 -0.25 -0.23 0.00 0.00 178.00 178.53 3ig1 n ASP 177 N -2.99 1.00 -4.83 1.44 9.92 -1.26 -4.87 116.55 114.96 3ig1 n ASP 177 Ca -0.08 -0.92 -0.29 0.00 -0.53 0.00 0.00 54.79 52.97 3ig1 n ASP 177 Cb 0.85 0.09 0.11 0.00 -0.64 0.00 0.00 41.12 41.53 3ig1 n ASP 177 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3ig1 s ILE 178 N -2.43 2.20 -0.04 0.53 1.09 -1.26 -4.80 121.20 116.49 3ig1 s ILE 178 Ca 0.27 0.06 0.05 0.00 -1.10 0.00 0.00 60.65 59.93 3ig1 s ILE 178 Cb 0.20 -2.91 -0.01 0.00 -1.06 0.00 0.00 42.46 38.68 3ig1 s ILE 178 CO 0.49 -0.08 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.38 3ig1 s VAL 179 N -3.37 1.46 -0.24 2.92 1.01 0.21 -4.97 120.40 117.42 3ig1 s VAL 179 Ca 0.63 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3ig1 s VAL 179 Cb -0.13 -1.24 0.06 0.00 0.00 0.00 0.00 36.38 35.07 3ig1 s VAL 179 CO 0.52 0.42 -0.04 -0.63 0.00 0.00 0.00 175.10 175.37 3ig1 s ILE 180 N -0.11 1.45 -0.15 2.22 1.01 -1.26 -0.88 121.20 123.49 3ig1 s ILE 180 Ca -0.01 -1.21 -0.03 0.00 0.00 0.00 0.00 60.65 59.41 3ig1 s ILE 180 Cb -0.10 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 3ig1 s ILE 180 CO 0.01 -0.14 -0.06 -0.47 0.00 0.00 0.00 174.94 174.28 3ig1 s TYR 181 N 1.42 2.98 -0.30 3.97 5.04 -0.43 -4.94 117.35 125.10 3ig1 s TYR 181 Ca -0.05 -0.36 -0.09 0.00 -2.44 0.00 0.00 57.07 54.14 3ig1 s TYR 181 Cb -0.19 -1.92 -0.01 0.00 0.35 0.00 0.00 41.96 40.19 3ig1 s TYR 181 CO -0.07 -0.06 0.14 -1.14 -1.34 0.00 0.00 175.55 173.09 3ig1 s GLN 182 N 0.31 3.41 -0.12 4.97 0.74 -1.26 0.61 119.66 128.31 3ig1 s GLN 182 Ca -0.05 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 54.69 3ig1 s GLN 182 Cb -0.14 -3.53 0.02 0.00 1.10 0.00 0.00 33.01 30.45 3ig1 s GLN 182 CO 0.04 -0.37 -0.10 -0.47 -0.55 0.00 0.00 175.29 173.83 3ig1 s TYR 183 N 1.62 1.72 0.00 1.67 5.04 -0.24 -4.99 117.35 122.17 3ig1 s TYR 183 Ca 0.05 -0.89 0.00 0.00 -2.44 0.00 0.00 57.07 53.79 3ig1 s TYR 183 Cb -0.17 -1.35 0.00 0.00 0.35 0.00 0.00 41.96 40.79 3ig1 s TYR 183 CO 0.06 -0.55 0.00 -1.33 -1.34 0.00 0.00 175.55 172.39 3ig1 n MET 184 N 4.79 0.00 -0.09 4.97 2.81 -1.26 0.52 117.12 128.85 3ig1 n MET 184 Ca -0.15 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.75 3ig1 n MET 184 Cb 0.50 0.00 0.05 0.00 -0.71 0.00 0.00 33.22 33.06 3ig1 n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3ig1 n ASP 185 N 3.04 1.28 -4.33 7.83 8.00 -1.26 -4.63 116.55 126.49 3ig1 n ASP 185 Ca 0.00 -2.08 -0.28 0.00 0.71 0.00 0.00 54.79 53.13 3ig1 n ASP 185 Cb 0.00 -0.39 -0.14 0.00 -0.02 0.00 0.00 41.12 40.57 3ig1 n ASP 185 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3ig1 s ASP 186 N -0.35 2.98 -0.21 -2.24 1.01 0.18 -2.47 116.67 115.56 3ig1 s ASP 186 Ca 0.07 -0.61 -0.00 0.00 0.71 0.00 0.00 52.55 52.72 3ig1 s ASP 186 Cb 0.05 -0.24 0.05 0.00 1.01 0.00 0.00 42.92 43.79 3ig1 s ASP 186 CO 0.03 0.21 -0.04 -0.22 0.21 0.00 0.00 175.17 175.35 3ig1 s LEU 187 N -1.42 2.10 -0.47 1.23 2.96 -0.12 -1.08 118.68 121.87 3ig1 s LEU 187 Ca 0.11 -0.98 -0.20 0.00 -0.22 0.00 0.00 54.13 52.84 3ig1 s LEU 187 Cb -0.10 -1.03 0.04 0.00 0.50 0.00 0.00 46.19 45.60 3ig1 s LEU 187 CO 0.03 -0.23 0.65 -0.31 -1.32 0.00 0.00 176.35 175.17 3ig1 s TYR 188 N 1.52 3.04 -0.36 5.38 1.51 0.20 -1.45 117.35 127.20 3ig1 s TYR 188 Ca -0.03 -0.26 -0.11 0.00 -1.01 0.00 0.00 57.07 55.66 3ig1 s TYR 188 Cb -0.18 -3.45 0.01 0.00 -0.11 0.00 0.00 41.96 38.24 3ig1 s TYR 188 CO -0.07 -0.96 0.21 0.08 -1.11 0.00 0.00 175.55 173.70 3ig1 s VAL 189 N 2.80 4.74 0.02 0.71 1.01 0.96 -1.31 120.40 129.32 3ig1 s VAL 189 Ca 0.20 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.56 3ig1 s VAL 189 Cb -0.16 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 3ig1 s VAL 189 CO 0.16 -0.15 -0.10 -0.83 0.00 0.00 0.00 175.10 174.19 3ig1 s GLY 190 N 1.60 1.71 0.07 4.51 0.00 -0.06 0.13 107.32 115.28 3ig1 s GLY 190 Ca 0.03 -1.08 -0.25 0.00 0.00 0.00 0.00 44.72 43.42 3ig1 s GLY 190 CO 0.07 -0.97 0.59 -1.35 0.00 0.00 0.00 173.10 171.44 3ig1 s SER 191 N -1.50 -0.54 -0.38 1.64 1.04 -0.05 -0.61 113.70 113.29 3ig1 s SER 191 Ca 0.17 0.23 0.07 0.00 0.48 0.00 0.00 55.95 56.90 3ig1 s SER 191 Cb -0.11 0.54 0.68 0.00 0.10 0.00 0.00 66.02 67.24 3ig1 s SER 191 CO 0.08 -0.79 1.83 0.47 0.98 0.00 0.00 173.24 175.81 3ig1 n ASP 192 N 0.22 4.06 -4.87 7.02 8.00 -1.26 -2.51 116.55 127.20 3ig1 n ASP 192 Ca -0.18 -3.47 -0.23 0.00 0.71 0.00 0.00 54.79 51.62 3ig1 n ASP 192 Cb 0.61 -0.78 0.07 0.00 -0.02 0.00 0.00 41.12 41.00 3ig1 n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ig1 s LEU 193 N -3.18 3.04 0.35 0.64 1.43 -1.26 -4.99 118.68 114.71 3ig1 s LEU 193 Ca 0.55 0.08 -0.25 0.00 -1.03 0.00 0.00 54.13 53.48 3ig1 s LEU 193 Cb 0.46 -2.75 -0.10 0.00 0.03 0.00 0.00 46.19 43.83 3ig1 s LEU 193 CO 0.11 -1.50 0.95 -1.61 0.23 0.00 0.00 176.35 174.53 3ig1 s GLU 194 N -5.04 4.50 0.37 1.70 2.02 -1.26 -4.76 118.70 116.24 3ig1 s GLU 194 Ca 0.61 1.30 0.20 0.00 0.02 0.00 0.00 54.97 57.10 3ig1 s GLU 194 Cb -0.09 -2.68 1.26 0.00 0.10 0.00 0.00 34.13 32.72 3ig1 s GLU 194 CO 0.42 0.21 1.62 0.97 0.02 0.00 0.00 175.26 178.50 3ig1 h ILE 195 N 2.47 0.14 0.25 -1.63 2.10 -1.97 0.27 117.51 119.13 3ig1 h ILE 195 Ca -0.47 -0.05 -0.01 0.00 1.08 0.00 0.00 64.86 65.41 3ig1 h ILE 195 Cb 1.19 -0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 36.90 3ig1 h ILE 195 CO 0.64 0.03 -0.23 1.23 -1.08 0.00 0.00 178.15 178.74 3ig1 h GLY 196 N 0.15 -0.93 1.71 8.18 0.00 -1.98 -0.23 103.07 109.97 3ig1 h GLY 196 Ca 0.80 0.42 -0.09 0.00 0.00 0.00 0.00 47.33 48.45 3ig1 h GLY 196 CO -0.63 -0.31 -0.31 0.06 0.00 0.00 0.00 176.54 175.35 3ig1 h GLN 197 N -0.47 0.33 -0.43 4.80 3.07 -1.78 -2.47 115.11 118.16 3ig1 h GLN 197 Ca -0.03 -0.13 0.07 0.00 0.09 0.00 0.00 58.65 58.64 3ig1 h GLN 197 Cb 0.40 -0.02 -0.06 0.00 0.08 0.00 0.00 27.48 27.89 3ig1 h GLN 197 CO -0.02 0.61 0.10 1.25 0.09 0.00 0.00 178.83 180.86 3ig1 h HIS 198 N 0.29 0.17 0.00 0.06 2.76 -0.39 0.21 115.15 118.25 3ig1 h HIS 198 Ca 0.04 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3ig1 h HIS 198 Cb 0.69 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.64 3ig1 h HIS 198 CO 0.02 0.03 0.00 0.54 -1.30 0.00 0.00 177.93 177.21 3ig1 n ARG 199 N -5.08 0.02 0.06 5.26 1.74 -0.11 -1.75 116.66 116.81 3ig1 n ARG 199 Ca 0.04 0.06 -0.22 0.00 -0.77 0.00 0.00 57.85 56.95 3ig1 n ARG 199 Cb 0.20 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 29.99 3ig1 n ARG 199 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3ig1 h THR 200 N 0.00 1.10 -0.83 0.55 2.02 -0.55 -2.66 112.91 112.53 3ig1 h THR 200 Ca 0.00 -2.51 -0.00 0.00 0.77 0.00 0.00 66.41 64.67 3ig1 h THR 200 Cb 0.42 2.85 -0.04 0.00 -1.74 0.00 0.00 68.15 69.65 3ig1 h THR 200 CO 0.00 0.78 0.50 0.11 0.37 0.00 0.00 175.52 177.28 3ig1 h LYS 201 N -0.09 1.13 0.88 6.66 1.79 -0.40 0.47 116.57 127.01 3ig1 h LYS 201 Ca -0.29 -0.10 -0.04 0.00 -2.18 0.00 0.00 60.65 58.03 3ig1 h LYS 201 Cb 1.94 -0.24 0.01 0.00 -1.58 0.00 0.00 32.23 32.36 3ig1 h LYS 201 CO 0.15 0.79 -0.42 0.82 -1.08 0.00 0.00 179.45 179.71 3ig1 h ILE 202 N 1.14 0.09 -0.82 1.86 1.08 -1.41 1.01 117.51 120.46 3ig1 h ILE 202 Ca 0.30 -0.06 0.16 0.00 -0.39 0.00 0.00 64.86 64.87 3ig1 h ILE 202 Cb -0.05 0.10 -0.06 0.00 -3.07 0.00 0.00 36.82 33.74 3ig1 h ILE 202 CO -0.06 0.00 0.54 -0.08 -0.69 0.00 0.00 178.15 177.87 3ig1 h GLU 203 N -1.24 0.47 -0.56 2.37 4.57 -1.28 1.93 114.58 120.85 3ig1 h GLU 203 Ca -0.12 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 57.92 3ig1 h GLU 203 Cb 0.91 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 3ig1 h GLU 203 CO 0.20 0.31 -0.08 0.93 -1.18 0.00 0.00 179.01 179.19 3ig1 h GLU 204 N 0.49 1.05 -0.06 1.92 5.08 0.73 0.19 114.58 123.98 3ig1 h GLU 204 Ca 0.41 -0.38 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 3ig1 h GLU 204 Cb 0.88 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3ig1 h GLU 204 CO -0.15 1.07 -0.56 1.25 -1.00 0.00 0.00 179.01 179.62 3ig1 h LEU 205 N 0.94 0.20 0.66 1.33 5.85 0.66 -2.01 115.31 122.95 3ig1 h LEU 205 Ca 0.15 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3ig1 h LEU 205 Cb 0.65 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.63 3ig1 h LEU 205 CO 0.05 0.72 -0.32 0.03 -0.34 0.00 0.00 178.44 178.58 3ig1 h ARG 206 N 0.14 -0.85 -1.02 1.25 3.08 0.35 -2.71 114.38 114.61 3ig1 h ARG 206 Ca -0.00 0.06 0.28 0.00 0.07 0.00 0.00 59.98 60.39 3ig1 h ARG 206 Cb 1.03 0.19 -0.13 0.00 0.08 0.00 0.00 29.97 31.14 3ig1 h ARG 206 CO 0.08 -0.57 0.61 1.96 -1.07 0.00 0.00 179.97 180.98 3ig1 h GLN 207 N -0.94 0.45 -0.55 0.04 1.08 -0.62 0.25 115.11 114.82 3ig1 h GLN 207 Ca -0.09 -0.03 0.10 0.00 -1.45 0.00 0.00 58.65 57.18 3ig1 h GLN 207 Cb 0.68 -0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 27.93 3ig1 h GLN 207 CO 0.15 0.30 0.12 0.45 -0.95 0.00 0.00 178.83 178.89 3ig1 h HIS 208 N 0.46 0.19 -0.18 2.96 3.86 -1.09 0.95 115.15 122.30 3ig1 h HIS 208 Ca 0.68 0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.75 3ig1 h HIS 208 Cb 1.45 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.92 3ig1 h HIS 208 CO -0.01 -0.01 -0.59 -0.07 0.86 0.00 0.00 177.93 178.11 3ig1 h LEU 209 N 0.26 0.67 -0.85 2.43 4.07 -0.23 0.28 115.31 121.94 3ig1 h LEU 209 Ca 0.28 -0.38 -0.09 0.00 0.08 0.00 0.00 57.88 57.77 3ig1 h LEU 209 Cb 0.39 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.91 3ig1 h LEU 209 CO -0.35 1.11 -0.08 -0.07 -1.08 0.00 0.00 178.44 177.97 3ig1 h LEU 210 N 0.45 0.75 0.04 1.67 3.38 -0.87 -3.03 115.31 117.70 3ig1 h LEU 210 Ca -0.00 -0.21 -0.23 0.00 0.09 0.00 0.00 57.88 57.52 3ig1 h LEU 210 Cb 1.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3ig1 h LEU 210 CO 0.11 0.87 -1.10 -0.09 0.09 0.00 0.00 178.44 178.32 3ig1 h ARG 211 N 0.70 0.09 0.00 1.13 2.43 -0.71 -3.27 114.38 114.75 3ig1 h ARG 211 Ca 0.12 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3ig1 h ARG 211 Cb 0.55 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3ig1 h ARG 211 CO 0.03 1.06 0.00 0.91 -1.51 0.00 0.00 179.97 180.46 3ig1 n TRP 212 N -3.40 0.00 0.00 2.20 7.02 0.98 -5.08 117.44 119.16 3ig1 n TRP 212 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 3ig1 n TRP 212 Cb 0.97 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.86 3ig1 n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3ig1 n GLY 213 N 0.58 -1.23 0.00 6.99 0.00 -1.19 -5.04 105.19 105.30 3ig1 n GLY 213 Ca 0.11 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.58 3ig1 n GLY 213 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ig1 n PRO 225 N 0.00 3.34 0.00 1.61 -0.02 -1.26 -5.02 135.00 133.65 3ig1 n PRO 225 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.55 3ig1 n PRO 225 Cb 0.00 0.00 0.42 0.00 -0.02 0.00 0.00 33.50 33.90 3ig1 n PRO 225 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3ig1 n PRO 226 N 0.00 0.66 -4.48 0.52 -0.04 -1.26 -4.65 135.00 125.76 3ig1 n PRO 226 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 3ig1 n PRO 226 Cb 0.00 -1.33 -0.16 0.00 -0.04 0.00 0.00 33.50 31.97 3ig1 n PRO 226 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3ig1 s PHE 227 N -2.00 1.25 -0.14 0.54 0.08 -1.26 -4.71 117.98 111.74 3ig1 s PHE 227 Ca 0.21 -0.43 0.15 0.00 0.12 0.00 0.00 56.93 56.98 3ig1 s PHE 227 Cb 0.10 -0.94 0.36 0.00 -0.57 0.00 0.00 43.02 41.97 3ig1 s PHE 227 CO 0.16 -0.24 1.18 1.47 -0.10 0.00 0.00 175.22 177.69 3ig1 n LEU 228 N 3.81 2.14 -0.07 -0.37 -0.00 -1.26 -4.82 117.00 116.42 3ig1 n LEU 228 Ca -0.23 -3.18 -0.11 0.00 -0.00 0.00 0.00 56.01 52.48 3ig1 n LEU 228 Cb 0.52 -0.38 0.02 0.00 -0.00 0.00 0.00 43.42 43.58 3ig1 n LEU 228 CO 0.25 1.01 0.55 4.11 -0.00 0.00 0.00 177.39 183.31 3ig1 h TRP 229 N 0.70 0.96 -3.98 1.47 5.08 -1.93 -3.44 115.95 114.82 3ig1 h TRP 229 Ca -0.04 -0.29 -0.52 0.00 1.08 0.00 0.00 58.89 59.12 3ig1 h TRP 229 Cb 1.18 -0.20 0.08 0.00 -3.00 0.00 0.00 29.16 27.22 3ig1 h TRP 229 CO 0.44 1.08 0.54 -1.64 -1.28 0.00 0.00 178.44 177.58 3ig1 s MET 230 N -4.30 3.80 -0.27 0.12 -1.94 -1.26 -5.06 119.30 110.39 3ig1 s MET 230 Ca -0.10 1.97 -0.08 0.00 -1.71 0.00 0.00 55.69 55.77 3ig1 s MET 230 Cb 0.11 -2.55 -0.02 0.00 2.01 0.00 0.00 34.83 34.38 3ig1 s MET 230 CO 0.86 -0.57 0.09 0.20 -0.01 0.00 0.00 175.02 175.59 3ig1 s GLY 231 N -1.07 1.78 -0.88 -0.03 0.00 -1.26 -4.72 107.32 101.15 3ig1 s GLY 231 Ca 0.61 -1.24 -0.19 0.00 0.00 0.00 0.00 44.72 43.90 3ig1 s GLY 231 CO 0.42 0.59 1.08 -0.47 0.00 0.00 0.00 173.10 174.71 3ig1 s TYR 232 N 1.59 3.08 -0.17 1.90 5.04 -1.14 -4.94 117.35 122.72 3ig1 s TYR 232 Ca 0.05 -1.29 -0.19 0.00 -2.44 0.00 0.00 57.07 53.21 3ig1 s TYR 232 Cb -0.16 -4.26 -0.03 0.00 0.35 0.00 0.00 41.96 37.86 3ig1 s TYR 232 CO 0.04 -1.49 0.53 -2.00 -1.34 0.00 0.00 175.55 171.29 3ig1 s GLU 233 N 2.79 4.26 0.47 4.97 2.12 -1.26 -1.07 118.70 130.97 3ig1 s GLU 233 Ca 0.30 0.48 0.05 0.00 0.36 0.00 0.00 54.97 56.16 3ig1 s GLU 233 Cb -0.07 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 3ig1 s GLU 233 CO -0.06 -0.05 0.13 -0.51 -0.54 0.00 0.00 175.26 174.23 3ig1 s LEU 234 N 1.30 2.74 -0.40 2.70 1.43 0.15 -4.98 118.68 121.62 3ig1 s LEU 234 Ca 0.26 -1.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.05 3ig1 s LEU 234 Cb -0.15 -1.07 0.17 0.00 0.03 0.00 0.00 46.19 45.16 3ig1 s LEU 234 CO 0.10 -0.73 0.32 -1.00 0.23 0.00 0.00 176.35 175.28 3ig1 s HIS 235 N -2.74 1.03 0.22 0.29 3.76 -1.26 -2.33 115.29 114.25 3ig1 s HIS 235 Ca 0.27 -2.22 -0.09 0.00 -0.15 0.00 0.00 55.06 52.88 3ig1 s HIS 235 Cb 0.03 -0.91 0.19 0.00 1.11 0.00 0.00 32.58 32.99 3ig1 s HIS 235 CO 0.15 -0.83 1.88 -1.35 -0.85 0.00 0.00 174.74 173.74 3ig1 h PRO 236 N 5.85 1.12 0.00 8.40 0.11 -1.80 -2.27 132.00 143.40 3ig1 h PRO 236 Ca 0.24 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3ig1 h PRO 236 Cb 0.92 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3ig1 h PRO 236 CO 0.35 0.77 0.21 0.22 -0.21 0.00 0.00 178.00 179.34 3ig1 h ASP 237 N 1.14 0.00 -0.20 -2.05 1.82 -1.57 0.69 116.42 116.24 3ig1 h ASP 237 Ca 0.30 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.92 3ig1 h ASP 237 Cb -0.08 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 39.92 3ig1 h ASP 237 CO -0.06 0.00 -0.02 0.29 -1.61 0.00 0.00 179.24 177.84 3ig1 n LYS 238 N -2.53 2.38 -3.09 0.28 5.02 -0.86 -4.99 118.16 114.38 3ig1 n LYS 238 Ca -0.02 -2.83 -0.39 0.00 -2.02 0.00 0.00 58.31 53.05 3ig1 n LYS 238 Cb 0.25 -1.76 -0.05 0.00 -0.02 0.00 0.00 35.03 33.45 3ig1 n LYS 238 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3ig1 s TRP 239 N -2.90 3.64 -0.01 2.13 0.51 0.23 -5.06 118.94 117.48 3ig1 s TRP 239 Ca 0.40 1.26 0.03 0.00 -2.12 0.00 0.00 56.10 55.68 3ig1 s TRP 239 Cb 0.34 -2.74 -0.03 0.00 -0.81 0.00 0.00 33.47 30.23 3ig1 s TRP 239 CO 0.06 0.21 -0.09 0.95 -0.51 0.00 0.00 176.95 177.57 3ig1 s THR 240 N 0.32 3.49 0.14 2.01 -4.23 -1.26 -5.08 115.64 111.03 3ig1 s THR 240 Ca 0.35 -0.75 -0.05 0.00 -1.18 0.00 0.00 61.69 60.06 3ig1 s THR 240 Cb -0.18 -2.48 -0.06 0.00 1.34 0.00 0.00 72.50 71.12 3ig1 s THR 240 CO 0.18 0.45 0.37 0.68 -0.54 0.00 0.00 174.62 175.77 3ig1 s VAL 241 N -0.92 5.17 -0.24 2.29 -7.23 -1.26 -4.75 120.40 113.45 3ig1 s VAL 241 Ca 0.15 0.04 -0.09 0.00 -1.81 0.00 0.00 61.98 60.27 3ig1 s VAL 241 Cb -0.11 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.16 3ig1 s VAL 241 CO 0.05 0.06 0.13 -1.58 -0.31 0.00 0.00 175.10 173.45 3ig1 s GLN 242 N -2.60 3.94 0.00 4.82 2.00 0.26 -4.98 119.66 123.10 3ig1 s GLN 242 Ca 0.40 -0.34 0.00 0.00 -2.00 0.00 0.00 55.36 53.43 3ig1 s GLN 242 Cb -0.12 -3.47 0.00 0.00 0.80 0.00 0.00 33.01 30.22 3ig1 s GLN 242 CO 0.24 -0.01 0.00 -0.35 -0.50 0.00 0.00 175.29 174.68 3ig1 n PRO 243 N 4.46 0.18 -4.03 1.67 -0.04 -1.26 -4.75 135.00 131.23 3ig1 n PRO 243 Ca -0.15 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.96 3ig1 n PRO 243 Cb 0.52 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.85 3ig1 n PRO 243 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ig1 s ILE 244 N -0.68 3.97 0.34 0.52 -1.09 -1.26 -4.90 121.20 118.11 3ig1 s ILE 244 Ca 0.00 -0.30 0.10 0.00 -2.23 0.00 0.00 60.65 58.21 3ig1 s ILE 244 Cb 0.00 -2.80 -0.06 0.00 -1.58 0.00 0.00 42.46 38.01 3ig1 s ILE 244 CO 0.00 0.42 -0.11 0.68 -1.23 0.00 0.00 174.94 174.70 3ig1 s VAL 245 N 1.08 2.27 0.06 2.92 -7.23 -1.26 -4.72 120.40 113.52 3ig1 s VAL 245 Ca 0.02 -2.23 0.09 0.00 -1.81 0.00 0.00 61.98 58.05 3ig1 s VAL 245 Cb -0.14 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 3ig1 s VAL 245 CO 0.02 -0.22 -0.24 -0.76 -0.31 0.00 0.00 175.10 173.58 3ig1 s LEU 246 N -3.60 2.19 1.11 1.32 1.43 -1.26 -5.06 118.68 114.81 3ig1 s LEU 246 Ca 0.32 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.70 3ig1 s LEU 246 Cb 0.02 -1.16 0.22 0.00 0.03 0.00 0.00 46.19 45.29 3ig1 s LEU 246 CO 0.16 0.21 0.82 -2.65 0.23 0.00 0.00 176.35 175.12 3ig1 n PRO 247 N 1.67 -1.87 -3.56 1.29 -0.02 -1.26 -5.03 135.00 126.22 3ig1 n PRO 247 Ca -0.17 -0.51 -0.26 0.00 -2.02 0.00 0.00 63.50 60.54 3ig1 n PRO 247 Cb 0.53 -2.10 -0.16 0.00 -0.02 0.00 0.00 33.50 31.75 3ig1 n PRO 247 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3ig1 s GLU 248 N -4.22 0.13 0.17 -0.52 2.02 -1.26 -5.14 118.70 109.88 3ig1 s GLU 248 Ca 0.65 -0.19 0.06 0.00 0.02 0.00 0.00 54.97 55.52 3ig1 s GLU 248 Cb -0.22 -1.49 -0.04 0.00 0.10 0.00 0.00 34.13 32.47 3ig1 s GLU 248 CO 0.64 -0.79 -0.13 0.15 0.02 0.00 0.00 175.26 175.15 3ig1 s LYS 249 N 2.16 1.19 0.00 1.61 1.02 -1.26 -5.04 119.74 119.42 3ig1 s LYS 249 Ca 0.05 -1.49 0.23 0.00 0.02 0.00 0.00 55.97 54.78 3ig1 s LYS 249 Cb -0.16 -0.90 0.18 0.00 -0.52 0.00 0.00 37.83 36.43 3ig1 s LYS 249 CO -0.19 0.14 1.19 -0.25 -0.92 0.00 0.00 175.35 175.31 3ig1 n ASP 250 N -0.20 0.93 -3.58 2.83 8.00 -1.26 -4.82 116.55 118.44 3ig1 n ASP 250 Ca -0.10 -0.76 -0.02 0.00 0.71 0.00 0.00 54.79 54.62 3ig1 n ASP 250 Cb 0.60 0.57 -0.05 0.00 -0.02 0.00 0.00 41.12 42.22 3ig1 n ASP 250 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3ig1 s SER 251 N -2.89 -0.95 0.30 -2.24 1.04 -1.26 -5.03 113.70 102.67 3ig1 s SER 251 Ca 0.12 1.33 0.06 0.00 0.48 0.00 0.00 55.95 57.95 3ig1 s SER 251 Cb 0.17 2.06 -0.02 0.00 0.10 0.00 0.00 66.02 68.33 3ig1 s SER 251 CO 0.74 -0.23 0.38 0.26 0.98 0.00 0.00 173.24 175.37 3ig1 s TRP 252 N 2.82 3.17 0.38 5.02 0.52 -1.26 -5.03 118.94 124.57 3ig1 s TRP 252 Ca -0.01 -0.17 0.08 0.00 0.02 0.00 0.00 56.10 56.02 3ig1 s TRP 252 Cb -0.12 -1.78 -0.07 0.00 -1.15 0.00 0.00 33.47 30.34 3ig1 s TRP 252 CO -0.18 0.20 -0.02 0.95 0.02 0.00 0.00 176.95 177.92 3ig1 s THR 253 N -2.14 2.16 0.24 2.01 -4.23 -1.26 -1.88 115.64 110.54 3ig1 s THR 253 Ca 0.40 -2.06 -0.05 0.00 -1.18 0.00 0.00 61.69 58.79 3ig1 s THR 253 Cb -0.09 -2.84 0.20 0.00 1.34 0.00 0.00 72.50 71.11 3ig1 s THR 253 CO 0.29 -0.10 1.79 0.58 -0.54 0.00 0.00 174.62 176.65 3ig1 h VAL 254 N 1.85 0.87 -0.65 2.29 2.07 -1.12 -1.27 116.25 120.29 3ig1 h VAL 254 Ca -0.43 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 3ig1 h VAL 254 Cb 1.25 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3ig1 h VAL 254 CO 0.75 0.12 0.37 -1.13 0.02 0.00 0.00 177.57 177.71 3ig1 h ASN 255 N 0.68 0.80 0.17 0.57 -0.00 -1.64 0.75 115.58 116.91 3ig1 h ASN 255 Ca 0.38 -0.08 -0.01 0.00 -0.00 0.00 0.00 56.30 56.59 3ig1 h ASN 255 Cb 0.38 -0.20 -0.00 0.00 -0.00 0.00 0.00 38.32 38.50 3ig1 h ASN 255 CO -0.26 0.65 -0.09 0.44 -0.00 0.00 0.00 177.43 178.17 3ig1 h ASP 256 N 0.89 -0.22 -0.97 1.15 3.32 -1.56 -1.11 116.42 117.93 3ig1 h ASP 256 Ca 0.23 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.32 3ig1 h ASP 256 Cb 0.02 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.57 3ig1 h ASP 256 CO -0.04 -0.15 0.63 0.40 -1.72 0.00 0.00 179.24 178.36 3ig1 h ILE 257 N -0.24 1.18 -0.82 0.35 1.08 -1.01 0.18 117.51 118.22 3ig1 h ILE 257 Ca -0.02 -0.42 -0.03 0.00 -0.39 0.00 0.00 64.86 64.00 3ig1 h ILE 257 Cb 0.19 -0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 33.74 3ig1 h ILE 257 CO 0.03 0.23 0.39 1.56 -0.69 0.00 0.00 178.15 179.66 3ig1 h GLN 258 N 1.23 1.18 -0.08 2.37 4.20 -0.58 -0.38 115.11 123.06 3ig1 h GLN 258 Ca 0.38 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 3ig1 h GLN 258 Cb -0.02 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.55 3ig1 h GLN 258 CO -0.12 0.91 -0.05 0.87 -0.67 0.00 0.00 178.83 179.78 3ig1 h LYS 259 N 1.16 0.17 -0.29 1.46 1.57 -0.51 -2.09 116.57 118.05 3ig1 h LYS 259 Ca 0.28 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 59.05 3ig1 h LYS 259 Cb 0.12 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 3ig1 h LYS 259 CO -0.03 0.56 -0.35 1.25 -0.57 0.00 0.00 179.45 180.31 3ig1 h LEU 260 N -0.22 -1.12 -1.33 2.94 5.85 -0.42 -1.32 115.31 119.69 3ig1 h LEU 260 Ca 0.02 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3ig1 h LEU 260 Cb 0.52 0.50 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 3ig1 h LEU 260 CO 0.01 -0.35 0.28 0.58 -0.34 0.00 0.00 178.44 178.62 3ig1 h VAL 261 N -0.33 1.17 -0.47 1.05 2.07 -1.08 -0.02 116.25 118.64 3ig1 h VAL 261 Ca 0.13 -0.44 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 3ig1 h VAL 261 Cb 0.55 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3ig1 h VAL 261 CO -0.47 0.19 -0.08 1.23 0.02 0.00 0.00 177.57 178.46 3ig1 h GLY 262 N 0.82 0.91 1.13 2.17 0.00 -0.60 -1.41 103.07 106.09 3ig1 h GLY 262 Ca 0.19 -0.67 -0.25 0.00 0.00 0.00 0.00 47.33 46.59 3ig1 h GLY 262 CO -0.03 0.62 -1.00 1.70 0.00 0.00 0.00 176.54 177.83 3ig1 h LYS 263 N 0.76 0.64 -0.23 4.80 3.64 -0.76 -2.75 116.57 122.68 3ig1 h LYS 263 Ca 0.13 -0.72 -0.07 0.00 -1.27 0.00 0.00 60.65 58.72 3ig1 h LYS 263 Cb 0.57 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 3ig1 h LYS 263 CO 0.04 1.30 -0.17 -0.07 -2.27 0.00 0.00 179.45 178.28 3ig1 h LEU 264 N 0.28 0.38 -1.35 5.20 3.38 -1.00 0.12 115.31 122.33 3ig1 h LEU 264 Ca -0.13 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 3ig1 h LEU 264 Cb 1.67 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 3ig1 h LEU 264 CO 0.20 0.57 -0.33 -1.13 0.09 0.00 0.00 178.44 177.84 3ig1 h ASN 265 N 0.36 0.00 0.02 -0.43 -1.24 -1.24 -1.11 115.58 111.94 3ig1 h ASN 265 Ca 0.06 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.89 3ig1 h ASN 265 Cb 0.51 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.57 3ig1 h ASN 265 CO 0.03 0.33 -0.72 -0.25 -1.29 0.00 0.00 177.43 175.53 3ig1 h TRP 266 N 0.00 0.68 0.00 0.67 7.01 -0.93 -3.17 115.95 120.21 3ig1 h TRP 266 Ca -0.00 -0.39 0.00 0.00 2.11 0.00 0.00 58.89 60.61 3ig1 h TRP 266 Cb 0.59 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.58 3ig1 h TRP 266 CO 0.00 1.22 0.00 0.00 -2.79 0.00 0.00 178.44 176.87 3ig1 n ALA 267 N -2.61 2.10 1.26 2.65 0.00 0.32 -1.42 120.51 122.81 3ig1 n ALA 267 Ca -0.11 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.36 3ig1 n ALA 267 Cb 0.73 -1.29 0.38 0.00 0.00 0.00 0.00 19.45 19.27 3ig1 n ALA 267 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ig1 n SER 268 N -1.09 1.11 0.07 0.00 3.41 -0.46 -1.60 113.62 115.05 3ig1 n SER 268 Ca 0.12 -0.98 0.12 0.00 -0.26 0.00 0.00 58.87 57.87 3ig1 n SER 268 Cb 0.09 0.13 0.18 0.00 -0.26 0.00 0.00 64.21 64.35 3ig1 n SER 268 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3ig1 h GLN 269 N 1.38 0.00 0.00 4.33 4.20 -1.39 -3.34 115.11 120.29 3ig1 h GLN 269 Ca 0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 3ig1 h GLN 269 Cb 0.52 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 3ig1 h GLN 269 CO 0.00 0.00 -1.76 -0.89 -0.67 0.00 0.00 178.83 175.51 3ig1 n ILE 270 N -2.14 0.77 -3.93 2.54 5.41 -1.21 -4.86 119.36 115.94 3ig1 n ILE 270 Ca 0.03 -0.32 -0.31 0.00 1.00 0.00 0.00 62.75 63.15 3ig1 n ILE 270 Cb 0.44 -0.94 -0.14 0.00 -0.71 0.00 0.00 39.64 38.29 3ig1 n ILE 270 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3ig1 s TYR 271 N -2.27 3.32 0.65 1.39 1.51 -0.63 -4.73 117.35 116.59 3ig1 s TYR 271 Ca -0.16 -3.08 0.22 0.00 -1.01 0.00 0.00 57.07 53.04 3ig1 s TYR 271 Cb 0.04 -2.89 1.18 0.00 -0.11 0.00 0.00 41.96 40.18 3ig1 s TYR 271 CO 0.33 -0.79 1.66 -1.00 -1.11 0.00 0.00 175.55 174.64 3ig1 h PRO 272 N 6.78 0.00 0.00 -1.71 0.13 -1.84 -2.06 132.00 133.30 3ig1 h PRO 272 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3ig1 h PRO 272 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3ig1 h PRO 272 CO 0.66 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.84 3ig1 n GLY 273 N -1.34 -0.80 3.76 1.56 0.00 -1.26 -4.87 105.19 102.24 3ig1 n GLY 273 Ca 0.01 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3ig1 n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ig1 s ILE 274 N -2.04 3.14 -0.06 -0.61 -1.09 -0.78 -4.95 121.20 114.81 3ig1 s ILE 274 Ca 0.36 1.10 0.02 0.00 -2.23 0.00 0.00 60.65 59.90 3ig1 s ILE 274 Cb 0.17 -3.70 0.01 0.00 -1.58 0.00 0.00 42.46 37.36 3ig1 s ILE 274 CO 0.29 0.24 -0.11 -0.54 -1.23 0.00 0.00 174.94 173.59 3ig1 s LYS 275 N -1.29 1.59 0.00 2.79 -0.14 -1.26 -4.99 119.74 116.44 3ig1 s LYS 275 Ca 0.49 -0.37 0.03 0.00 -1.36 0.00 0.00 55.97 54.76 3ig1 s LYS 275 Cb -0.36 -1.34 0.01 0.00 -1.68 0.00 0.00 37.83 34.46 3ig1 s LYS 275 CO 0.45 0.01 0.46 1.33 -0.76 0.00 0.00 175.35 176.83 3ig1 n VAL 276 N 3.87 0.00 -0.07 3.17 0.24 -1.26 -4.82 118.33 119.45 3ig1 n VAL 276 Ca -0.23 -0.48 -0.04 0.00 -2.04 0.00 0.00 64.34 61.55 3ig1 n VAL 276 Cb 0.52 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.90 3ig1 n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3ig1 h ARG 277 N 0.43 -0.07 0.00 7.34 2.43 -2.00 -1.75 114.38 120.76 3ig1 h ARG 277 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ig1 h ARG 277 Cb 0.11 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3ig1 h ARG 277 CO 0.00 -0.05 0.00 1.96 -1.51 0.00 0.00 179.97 180.37 3ig1 h GLN 278 N -0.07 0.00 0.01 0.20 1.08 -1.90 -2.21 115.11 112.22 3ig1 h GLN 278 Ca 0.03 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.05 3ig1 h GLN 278 Cb 0.16 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 3ig1 h GLN 278 CO -0.22 0.00 -0.98 -0.07 -0.95 0.00 0.00 178.83 176.61 3ig1 h LEU 279 N 0.00 0.04 -0.90 1.46 3.38 -1.72 -3.36 115.31 114.22 3ig1 h LEU 279 Ca 0.00 -0.66 0.08 0.00 0.09 0.00 0.00 57.88 57.39 3ig1 h LEU 279 Cb 0.06 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 3ig1 h LEU 279 CO 0.00 1.39 0.55 0.28 0.09 0.00 0.00 178.44 180.76 3ig1 h SER 280 N -0.92 0.85 0.00 -0.43 0.02 -1.01 0.21 113.55 112.27 3ig1 h SER 280 Ca -0.26 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 3ig1 h SER 280 Cb 1.28 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3ig1 h SER 280 CO -0.13 0.52 0.16 1.17 -1.14 0.00 0.00 176.83 177.40 3ig1 n LYS 281 N -4.63 0.02 0.10 3.45 4.81 -0.86 0.11 118.16 121.16 3ig1 n LYS 281 Ca 0.14 0.38 0.04 0.00 -0.87 0.00 0.00 58.31 58.01 3ig1 n LYS 281 Cb 0.23 -1.71 -0.01 0.00 0.02 0.00 0.00 35.03 33.56 3ig1 n LYS 281 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 3ig1 h LEU 282 N 0.00 0.00 -2.38 3.14 3.38 -0.73 -3.29 115.31 115.43 3ig1 h LEU 282 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ig1 h LEU 282 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3ig1 h LEU 282 CO 0.00 0.38 0.00 0.18 0.09 0.00 0.00 178.44 179.09 3ig1 n LEU 283 N -2.97 3.60 -4.66 1.67 4.77 0.31 -4.94 117.00 114.78 3ig1 n LEU 283 Ca -0.03 -1.82 -0.42 0.00 -0.03 0.00 0.00 56.01 53.71 3ig1 n LEU 283 Cb 0.72 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3ig1 n LEU 283 CO 0.41 0.49 1.48 -0.13 -1.33 0.00 0.00 177.39 178.31 3ig1 s ARG 284 N -1.95 4.16 0.00 3.23 0.52 -1.24 -4.55 118.95 119.12 3ig1 s ARG 284 Ca 0.32 2.38 0.00 0.00 -0.52 0.00 0.00 55.73 57.91 3ig1 s ARG 284 Cb 0.23 -4.07 0.00 0.00 0.52 0.00 0.00 34.95 31.64 3ig1 s ARG 284 CO 0.11 -0.90 0.00 0.41 0.02 0.00 0.00 175.30 174.94 3ig1 n GLY 285 N 4.32 -0.11 2.49 -3.53 0.00 -1.26 -4.93 105.19 102.18 3ig1 n GLY 285 Ca 0.18 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 3ig1 n GLY 285 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ig1 s THR 286 N 0.00 0.44 0.37 2.61 2.01 -1.26 -5.14 115.64 114.68 3ig1 s THR 286 Ca 0.00 -2.13 0.06 0.00 0.31 0.00 0.00 61.69 59.92 3ig1 s THR 286 Cb 0.00 -1.32 -0.00 0.00 0.01 0.00 0.00 72.50 71.18 3ig1 s THR 286 CO 0.00 -1.04 0.53 -0.54 -0.69 0.00 0.00 174.62 172.88 3ig1 s LYS 287 N 0.65 3.05 0.23 4.92 1.02 -1.26 -5.06 119.74 123.29 3ig1 s LYS 287 Ca 0.22 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 3ig1 s LYS 287 Cb -0.16 -2.76 -0.09 0.00 -0.52 0.00 0.00 37.83 34.30 3ig1 s LYS 287 CO -0.05 -0.06 1.36 0.00 -0.92 0.00 0.00 175.35 175.68 3ig1 s ALA 288 N -2.28 3.57 0.54 5.17 0.00 -1.26 -4.88 121.76 122.62 3ig1 s ALA 288 Ca 0.47 1.21 0.27 0.00 0.00 0.00 0.00 51.96 53.92 3ig1 s ALA 288 Cb -0.10 -3.51 1.44 0.00 0.00 0.00 0.00 23.12 20.95 3ig1 s ALA 288 CO 0.33 -0.63 1.96 -0.07 0.00 0.00 0.00 175.76 177.35 3ig1 h LEU 289 N 5.05 0.00 -3.21 0.00 3.38 -1.97 -0.74 115.31 117.81 3ig1 h LEU 289 Ca -0.46 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.46 3ig1 h LEU 289 Cb 1.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 3ig1 h LEU 289 CO 0.76 0.00 0.07 0.35 0.09 0.00 0.00 178.44 179.71 3ig1 n THR 290 N -4.25 2.39 -3.33 0.22 -2.24 -1.26 -1.76 114.28 104.05 3ig1 n THR 290 Ca 0.11 -1.23 -0.38 0.00 -2.27 0.00 0.00 64.05 60.28 3ig1 n THR 290 Cb 0.69 -0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 68.51 3ig1 n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ig1 s GLU 291 N -2.51 4.17 -0.26 -0.78 2.12 -0.29 -4.90 118.70 116.25 3ig1 s GLU 291 Ca 0.46 0.58 -0.24 0.00 0.36 0.00 0.00 54.97 56.13 3ig1 s GLU 291 Cb 0.36 -3.30 -0.00 0.00 0.26 0.00 0.00 34.13 31.45 3ig1 s GLU 291 CO 0.13 0.50 0.83 0.08 -0.54 0.00 0.00 175.26 176.25 3ig1 s VAL 292 N -0.54 4.81 -0.24 3.70 1.01 -1.26 -1.40 120.40 126.47 3ig1 s VAL 292 Ca 0.27 1.48 -0.06 0.00 0.00 0.00 0.00 61.98 63.67 3ig1 s VAL 292 Cb -0.17 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 3ig1 s VAL 292 CO 0.15 -0.14 0.02 -0.63 0.00 0.00 0.00 175.10 174.51 3ig1 s ILE 293 N 2.91 3.82 0.51 2.22 1.01 -0.79 -4.99 121.20 125.89 3ig1 s ILE 293 Ca 0.35 -0.41 -0.22 0.00 0.00 0.00 0.00 60.65 60.37 3ig1 s ILE 293 Cb -0.15 -2.80 -0.06 0.00 0.01 0.00 0.00 42.46 39.46 3ig1 s ILE 293 CO 0.09 0.33 1.27 -2.84 0.00 0.00 0.00 174.94 173.80 3ig1 s PRO 294 N 1.53 3.38 -0.05 2.79 0.02 -1.26 -4.30 135.00 137.10 3ig1 s PRO 294 Ca 0.05 2.03 -0.21 0.00 0.02 0.00 0.00 61.00 62.90 3ig1 s PRO 294 Cb -0.15 -2.30 -0.05 0.00 0.02 0.00 0.00 34.50 32.02 3ig1 s PRO 294 CO 0.00 -0.94 0.60 -0.51 -0.33 0.00 0.00 177.00 175.83 3ig1 s LEU 295 N -3.35 4.35 0.54 -5.54 1.43 -1.26 -5.07 118.68 109.78 3ig1 s LEU 295 Ca 0.69 1.09 -0.06 0.00 -1.03 0.00 0.00 54.13 54.81 3ig1 s LEU 295 Cb -0.35 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 42.92 3ig1 s LEU 295 CO 0.42 0.01 0.87 0.42 0.23 0.00 0.00 176.35 178.29 3ig1 s THR 296 N 0.33 4.43 0.17 5.49 -4.23 -1.26 -4.86 115.64 115.71 3ig1 s THR 296 Ca 0.32 0.25 -0.14 0.00 -1.18 0.00 0.00 61.69 60.94 3ig1 s THR 296 Cb -0.17 -3.72 0.06 0.00 1.34 0.00 0.00 72.50 70.01 3ig1 s THR 296 CO 0.16 -0.76 1.78 -0.33 -0.54 0.00 0.00 174.62 174.92 3ig1 h GLU 297 N -0.01 0.44 -0.10 3.99 4.39 -1.98 0.29 114.58 121.59 3ig1 h GLU 297 Ca -0.46 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.25 3ig1 h GLU 297 Cb 1.22 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.74 3ig1 h GLU 297 CO 0.61 0.29 -0.10 0.93 -1.16 0.00 0.00 179.01 179.59 3ig1 h GLU 298 N 0.46 -0.11 0.38 2.33 5.08 -1.94 -1.21 114.58 119.56 3ig1 h GLU 298 Ca 0.21 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3ig1 h GLU 298 Cb 0.13 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3ig1 h GLU 298 CO -0.15 -0.08 -0.19 0.00 -1.00 0.00 0.00 179.01 177.59 3ig1 h ALA 299 N 0.96 -0.52 -0.82 3.43 0.00 -1.59 -1.85 119.26 118.87 3ig1 h ALA 299 Ca 0.07 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.05 3ig1 h ALA 299 Cb 0.22 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 3ig1 h ALA 299 CO -0.17 -0.79 0.31 1.49 0.00 0.00 0.00 179.25 180.09 3ig1 h GLU 300 N -0.52 0.38 -0.03 0.00 4.22 -0.21 0.53 114.58 118.94 3ig1 h GLU 300 Ca -0.05 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.36 3ig1 h GLU 300 Cb 0.40 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3ig1 h GLU 300 CO 0.08 0.25 0.00 1.25 -2.18 0.00 0.00 179.01 178.41 3ig1 h LEU 301 N 0.39 0.05 -1.03 1.64 6.46 -0.99 -0.46 115.31 121.37 3ig1 h LEU 301 Ca 0.48 -0.27 0.10 0.00 -0.12 0.00 0.00 57.88 58.07 3ig1 h LEU 301 Cb 0.84 -0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.68 3ig1 h LEU 301 CO -0.49 0.31 0.63 -0.08 -0.62 0.00 0.00 178.44 178.19 3ig1 h GLU 302 N -0.21 1.02 -0.55 1.25 4.81 -0.43 0.27 114.58 120.73 3ig1 h GLU 302 Ca 0.01 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 3ig1 h GLU 302 Cb 0.28 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3ig1 h GLU 302 CO 0.00 0.67 0.06 1.25 -0.73 0.00 0.00 179.01 180.26 3ig1 h LEU 303 N 1.05 0.90 0.73 1.64 5.85 -0.70 -1.17 115.31 123.61 3ig1 h LEU 303 Ca 0.47 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 3ig1 h LEU 303 Cb 0.37 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.16 3ig1 h LEU 303 CO -0.22 0.96 -0.35 0.00 -0.34 0.00 0.00 178.44 178.48 3ig1 h ALA 304 N 0.98 -0.98 -0.76 1.25 0.00 0.65 -0.23 119.26 120.17 3ig1 h ALA 304 Ca 0.16 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.00 3ig1 h ALA 304 Cb 0.46 0.38 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 3ig1 h ALA 304 CO 0.02 -1.00 0.28 1.49 0.00 0.00 0.00 179.25 180.04 3ig1 h GLU 305 N -1.09 0.40 -0.37 0.00 4.81 -0.51 -0.49 114.58 117.34 3ig1 h GLU 305 Ca -0.10 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 3ig1 h GLU 305 Cb 0.77 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 3ig1 h GLU 305 CO 0.17 0.26 0.07 -0.91 -0.73 0.00 0.00 179.01 177.87 3ig1 h ASN 306 N 0.41 0.58 -0.92 1.04 2.35 -1.14 -2.49 115.58 115.40 3ig1 h ASN 306 Ca 0.42 -0.25 0.16 0.00 -0.55 0.00 0.00 56.30 56.07 3ig1 h ASN 306 Cb 0.66 -0.15 -0.10 0.00 0.05 0.00 0.00 38.32 38.78 3ig1 h ASN 306 CO -0.43 0.68 0.52 -0.09 -1.65 0.00 0.00 177.43 176.46 3ig1 h ARG 307 N 0.45 0.70 0.39 0.81 2.43 0.48 -1.20 114.38 118.43 3ig1 h ARG 307 Ca 0.11 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3ig1 h ARG 307 Cb 0.34 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3ig1 h ARG 307 CO 0.01 0.46 -0.22 0.93 -1.51 0.00 0.00 179.97 179.64 3ig1 h GLU 308 N 0.72 -0.54 -1.01 0.20 4.39 -0.77 -3.09 114.58 114.48 3ig1 h GLU 308 Ca 0.50 0.04 0.30 0.00 0.34 0.00 0.00 59.36 60.54 3ig1 h GLU 308 Cb 0.70 0.12 -0.14 0.00 -0.10 0.00 0.00 28.75 29.34 3ig1 h GLU 308 CO -0.35 -0.36 0.59 0.82 -1.16 0.00 0.00 179.01 178.54 3ig1 h ILE 309 N -0.57 0.36 0.00 3.13 2.04 -1.03 0.41 117.51 121.86 3ig1 h ILE 309 Ca -0.05 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3ig1 h ILE 309 Cb 0.45 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3ig1 h ILE 309 CO 0.07 0.07 0.00 0.18 0.00 0.00 0.00 178.15 178.47 3ig1 n LEU 310 N -4.99 0.00 0.00 1.44 4.77 -0.50 -3.05 117.00 114.67 3ig1 n LEU 310 Ca 0.30 0.35 0.11 0.00 -0.03 0.00 0.00 56.01 56.74 3ig1 n LEU 310 Cb 0.93 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 41.56 3ig1 n LEU 310 CO 0.12 -0.24 -0.23 1.17 -1.33 0.00 0.00 177.39 176.88 3ig1 n LYS 311 N -1.35 0.23 -3.19 3.23 4.81 0.13 -4.34 118.16 117.69 3ig1 n LYS 311 Ca 0.04 -0.06 -0.28 0.00 -0.87 0.00 0.00 58.31 57.14 3ig1 n LYS 311 Cb 0.09 -1.52 -0.02 0.00 0.02 0.00 0.00 35.03 33.59 3ig1 n LYS 311 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3ig1 s GLU 312 N -3.18 3.61 0.93 1.64 -1.05 -1.17 -5.06 118.70 114.42 3ig1 s GLU 312 Ca 0.03 0.02 -0.12 0.00 -0.15 0.00 0.00 54.97 54.76 3ig1 s GLU 312 Cb 0.15 -2.58 0.15 0.00 -0.44 0.00 0.00 34.13 31.41 3ig1 s GLU 312 CO 0.87 0.11 1.09 -1.25 0.95 0.00 0.00 175.26 177.03 3ig1 s PRO 313 N -3.90 0.96 0.44 -4.83 0.04 -1.26 -4.97 135.00 121.47 3ig1 s PRO 313 Ca 0.44 0.90 -0.25 0.00 0.04 0.00 0.00 61.00 62.13 3ig1 s PRO 313 Cb -0.10 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 3ig1 s PRO 313 CO 0.33 -2.47 1.40 0.08 0.04 0.00 0.00 177.00 176.38 3ig1 s VAL 314 N -2.85 2.20 -0.86 -0.36 1.01 -1.26 -4.89 120.40 113.39 3ig1 s VAL 314 Ca 0.64 0.18 -0.25 0.00 0.00 0.00 0.00 61.98 62.55 3ig1 s VAL 314 Cb -0.19 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.09 3ig1 s VAL 314 CO 0.58 0.03 1.60 -1.38 0.00 0.00 0.00 175.10 175.92 3ig1 s HIS 315 N -1.22 2.15 0.00 5.22 -3.43 -1.26 -4.08 115.29 112.68 3ig1 s HIS 315 Ca 0.60 -0.03 0.00 0.00 -0.80 0.00 0.00 55.06 54.83 3ig1 s HIS 315 Cb -0.42 -4.42 0.00 0.00 -1.43 0.00 0.00 32.58 26.30 3ig1 s HIS 315 CO 0.54 -1.98 0.00 0.41 -2.00 0.00 0.00 174.74 171.71 3ig1 n GLY 316 N 6.34 1.56 3.20 -1.38 0.00 -1.26 -5.08 105.19 108.57 3ig1 n GLY 316 Ca 0.26 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.84 3ig1 n GLY 316 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ig1 n VAL 317 N -1.24 4.64 -3.51 1.61 0.31 -1.26 -5.01 118.33 113.87 3ig1 n VAL 317 Ca 0.00 -5.17 -0.35 0.00 -0.01 0.00 0.00 64.34 58.81 3ig1 n VAL 317 Cb 0.00 -2.39 -0.06 0.00 -0.91 0.00 0.00 33.84 30.48 3ig1 n VAL 317 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3ig1 s TYR 318 N -0.62 3.59 0.13 3.52 2.02 -1.26 -4.88 117.35 119.84 3ig1 s TYR 318 Ca 0.36 0.87 -0.31 0.00 -0.37 0.00 0.00 57.07 57.62 3ig1 s TYR 318 Cb -0.01 -2.22 -0.07 0.00 -0.40 0.00 0.00 41.96 39.26 3ig1 s TYR 318 CO 0.00 0.49 1.28 -0.47 -1.57 0.00 0.00 175.55 175.28 3ig1 s TYR 319 N -1.42 3.34 -0.37 2.71 5.04 -1.26 -5.03 117.35 120.37 3ig1 s TYR 319 Ca 0.34 1.20 -0.05 0.00 -2.44 0.00 0.00 57.07 56.13 3ig1 s TYR 319 Cb -0.14 -3.54 0.07 0.00 0.35 0.00 0.00 41.96 38.70 3ig1 s TYR 319 CO 0.18 -1.72 0.14 0.34 -1.34 0.00 0.00 175.55 173.16 3ig1 s ASP 320 N 0.75 5.27 0.56 4.32 -1.08 -1.26 -5.01 116.67 120.21 3ig1 s ASP 320 Ca 0.59 -1.53 0.28 0.00 -0.52 0.00 0.00 52.55 51.37 3ig1 s ASP 320 Cb -0.34 -1.84 1.47 0.00 -1.46 0.00 0.00 42.92 40.74 3ig1 s ASP 320 CO 0.33 -0.43 1.95 -0.65 0.52 0.00 0.00 175.17 176.89 3ig1 h PRO 321 N 8.16 0.00 -0.44 4.34 0.11 -1.97 -2.48 132.00 139.72 3ig1 h PRO 321 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3ig1 h PRO 321 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3ig1 h PRO 321 CO 0.65 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.31 3ig1 n SER 322 N -4.08 2.03 -4.22 -2.05 3.41 -1.26 -4.86 113.62 102.59 3ig1 n SER 322 Ca 0.10 -2.09 -0.25 0.00 -0.26 0.00 0.00 58.87 56.37 3ig1 n SER 322 Cb 0.68 -0.30 -0.14 0.00 -0.26 0.00 0.00 64.21 64.19 3ig1 n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ig1 s LYS 323 N -1.61 1.35 0.81 4.33 1.02 -0.94 -5.13 119.74 119.58 3ig1 s LYS 323 Ca 0.22 -0.84 -0.14 0.00 0.02 0.00 0.00 55.97 55.24 3ig1 s LYS 323 Cb 0.13 -1.41 0.07 0.00 -0.52 0.00 0.00 37.83 36.10 3ig1 s LYS 323 CO 0.13 0.37 1.10 -0.25 -0.92 0.00 0.00 175.35 175.78 3ig1 n ASP 324 N 2.07 0.68 -4.89 2.83 8.00 -1.26 -4.95 116.55 119.03 3ig1 n ASP 324 Ca -0.17 0.57 -0.30 0.00 0.71 0.00 0.00 54.79 55.61 3ig1 n ASP 324 Cb 0.54 -1.47 -0.04 0.00 -0.02 0.00 0.00 41.12 40.12 3ig1 n ASP 324 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ig1 s LEU 325 N -4.95 4.24 -0.03 0.64 1.43 -1.26 -4.70 118.68 114.04 3ig1 s LEU 325 Ca 0.72 0.19 0.03 0.00 -1.03 0.00 0.00 54.13 54.04 3ig1 s LEU 325 Cb -0.29 -2.85 0.00 0.00 0.03 0.00 0.00 46.19 43.08 3ig1 s LEU 325 CO 0.52 0.15 -0.12 -0.63 0.23 0.00 0.00 176.35 176.49 3ig1 s ILE 326 N -1.54 1.06 -0.08 -0.59 1.01 -0.15 -0.41 121.20 120.49 3ig1 s ILE 326 Ca 0.34 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.49 3ig1 s ILE 326 Cb -0.12 -0.93 0.02 0.00 0.01 0.00 0.00 42.46 41.44 3ig1 s ILE 326 CO 0.27 0.32 -0.10 0.00 0.00 0.00 0.00 174.94 175.43 3ig1 s ALA 327 N 0.16 1.24 -0.01 9.38 0.00 -0.35 -1.18 121.76 131.01 3ig1 s ALA 327 Ca -0.04 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.53 3ig1 s ALA 327 Cb -0.10 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 3ig1 s ALA 327 CO 0.01 -0.08 -0.12 -1.21 0.00 0.00 0.00 175.76 174.36 3ig1 s GLU 328 N 1.05 2.43 0.02 0.00 2.02 -0.88 -1.09 118.70 122.25 3ig1 s GLU 328 Ca -0.07 -0.76 0.07 0.00 0.02 0.00 0.00 54.97 54.22 3ig1 s GLU 328 Cb -0.15 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 31.67 3ig1 s GLU 328 CO -0.01 0.60 -0.21 0.42 0.02 0.00 0.00 175.26 176.08 3ig1 s ILE 329 N -0.88 1.72 -0.24 -1.63 1.01 -1.23 -2.10 121.20 117.84 3ig1 s ILE 329 Ca 0.14 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.70 3ig1 s ILE 329 Cb -0.11 -1.46 0.07 0.00 0.01 0.00 0.00 42.46 40.96 3ig1 s ILE 329 CO 0.04 0.33 -0.03 -1.10 0.00 0.00 0.00 174.94 174.18 3ig1 s GLN 330 N -0.91 1.45 -0.06 2.79 1.11 -0.36 -4.49 119.66 119.18 3ig1 s GLN 330 Ca 0.08 -0.99 -0.29 0.00 0.01 0.00 0.00 55.36 54.17 3ig1 s GLN 330 Cb -0.09 -2.53 -0.07 0.00 -1.01 0.00 0.00 33.01 29.31 3ig1 s GLN 330 CO 0.01 -0.65 1.96 0.21 0.01 0.00 0.00 175.29 176.83 3ig1 s LYS 331 N 1.43 3.86 0.00 2.91 2.20 -1.26 -2.73 119.74 126.15 3ig1 s LYS 331 Ca -0.03 2.33 0.23 0.00 -0.36 0.00 0.00 55.97 58.14 3ig1 s LYS 331 Cb -0.19 -4.18 0.08 0.00 -1.51 0.00 0.00 37.83 32.03 3ig1 s LYS 331 CO -0.08 -1.26 1.14 1.04 -0.36 0.00 0.00 175.35 175.83 3ig1 n GLN 332 N 7.81 1.05 0.00 4.03 1.13 -0.66 -5.00 117.38 125.74 3ig1 n GLN 332 Ca 0.22 -0.84 0.00 0.00 -1.94 0.00 0.00 57.00 54.44 3ig1 n GLN 332 Cb 0.43 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.29 3ig1 n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ig1 n GLY 333 N 1.42 -0.32 3.51 1.08 0.00 -1.23 -4.84 105.19 104.81 3ig1 n GLY 333 Ca 0.09 -1.50 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 3ig1 n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ig1 n GLN 334 N 0.28 -7.52 -0.89 1.61 6.02 -1.26 -2.38 117.38 113.24 3ig1 n GLN 334 Ca 0.00 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 3ig1 n GLN 334 Cb 0.00 -5.79 0.00 0.00 1.02 0.00 0.00 30.24 25.47 3ig1 n GLN 334 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ig1 n GLY 335 N -1.81 0.29 3.87 1.08 0.00 -1.26 -4.97 105.19 102.39 3ig1 n GLY 335 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 3ig1 n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ig1 s GLN 336 N -0.95 3.75 -0.08 1.61 -0.21 -1.00 -4.30 119.66 118.49 3ig1 s GLN 336 Ca 0.00 0.16 -0.08 0.00 0.02 0.00 0.00 55.36 55.46 3ig1 s GLN 336 Cb 0.00 -2.86 0.02 0.00 1.00 0.00 0.00 33.01 31.17 3ig1 s GLN 336 CO 0.00 0.47 0.23 -1.58 -2.12 0.00 0.00 175.29 172.29 3ig1 s TRP 337 N -1.58 -0.24 0.24 0.91 0.52 -0.46 -1.66 118.94 116.68 3ig1 s TRP 337 Ca 0.39 0.58 0.11 0.00 0.02 0.00 0.00 56.10 57.19 3ig1 s TRP 337 Cb -0.13 0.08 -0.05 0.00 -1.15 0.00 0.00 33.47 32.23 3ig1 s TRP 337 CO 0.21 -0.14 -0.13 0.95 0.02 0.00 0.00 176.95 177.86 3ig1 s THR 338 N 0.02 2.87 0.20 2.01 -4.23 -1.11 0.33 115.64 115.73 3ig1 s THR 338 Ca -0.01 -2.04 -0.14 0.00 -1.18 0.00 0.00 61.69 58.32 3ig1 s THR 338 Cb -0.02 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 71.36 3ig1 s THR 338 CO 0.00 -0.28 0.44 -0.72 -0.54 0.00 0.00 174.62 173.53 3ig1 s TYR 339 N -2.12 0.15 -0.16 3.99 -0.85 -0.30 -1.23 117.35 116.84 3ig1 s TYR 339 Ca 0.27 -0.51 -0.10 0.00 -0.52 0.00 0.00 57.07 56.21 3ig1 s TYR 339 Cb -0.07 0.21 0.05 0.00 0.38 0.00 0.00 41.96 42.53 3ig1 s TYR 339 CO 0.15 -0.88 0.39 -0.65 -1.52 0.00 0.00 175.55 173.05 3ig1 s GLN 340 N -3.94 0.40 -0.09 -3.49 1.11 -0.89 -1.95 119.66 110.81 3ig1 s GLN 340 Ca 0.15 0.68 -0.00 0.00 0.01 0.00 0.00 55.36 56.19 3ig1 s GLN 340 Cb 0.00 0.05 -0.03 0.00 -1.01 0.00 0.00 33.01 32.03 3ig1 s GLN 340 CO 0.01 -0.12 -0.06 0.42 0.01 0.00 0.00 175.29 175.55 3ig1 s ILE 341 N 0.96 3.79 0.25 1.08 1.01 0.35 -2.07 121.20 126.58 3ig1 s ILE 341 Ca -0.06 -0.43 -0.22 0.00 0.00 0.00 0.00 60.65 59.94 3ig1 s ILE 341 Cb -0.07 -2.58 0.04 0.00 0.01 0.00 0.00 42.46 39.86 3ig1 s ILE 341 CO -0.08 0.58 0.80 -0.72 0.00 0.00 0.00 174.94 175.52 3ig1 s TYR 342 N -0.57 -0.14 0.00 3.97 -0.85 -0.32 -0.82 117.35 118.62 3ig1 s TYR 342 Ca 0.09 -0.30 0.00 0.00 -0.52 0.00 0.00 57.07 56.34 3ig1 s TYR 342 Cb -0.12 0.70 0.00 0.00 0.38 0.00 0.00 41.96 42.93 3ig1 s TYR 342 CO 0.02 -1.15 0.00 1.04 -1.52 0.00 0.00 175.55 173.94 3ig1 n GLN 343 N -0.48 3.05 -4.87 -3.49 6.02 -1.26 -0.98 117.38 115.37 3ig1 n GLN 343 Ca -0.05 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.69 3ig1 n GLN 343 Cb 0.60 -0.97 -0.16 0.00 1.02 0.00 0.00 30.24 30.73 3ig1 n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3ig1 s GLU 344 N -1.93 1.55 0.18 -1.09 0.41 -1.26 -4.97 118.70 111.58 3ig1 s GLU 344 Ca 0.00 -0.64 -0.33 0.00 -0.41 0.00 0.00 54.97 53.58 3ig1 s GLU 344 Cb 0.00 -1.46 -0.14 0.00 -1.78 0.00 0.00 34.13 30.76 3ig1 s GLU 344 CO 0.00 0.36 1.55 -0.35 -0.49 0.00 0.00 175.26 176.33 3ig1 n PRO 345 N 2.74 2.16 -1.86 0.39 -0.04 -1.26 -1.52 135.00 135.60 3ig1 n PRO 345 Ca -0.15 0.78 -0.11 0.00 -0.04 0.00 0.00 63.50 63.98 3ig1 n PRO 345 Cb 0.54 -2.53 -0.02 0.00 -0.04 0.00 0.00 33.50 31.45 3ig1 n PRO 345 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ig1 n PHE 346 N 3.10 -0.31 -3.21 0.54 3.01 -1.26 -4.93 117.46 114.40 3ig1 n PHE 346 Ca 0.16 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.38 3ig1 n PHE 346 Cb 0.30 -2.33 -0.06 0.00 -0.01 0.00 0.00 39.48 37.38 3ig1 n PHE 346 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3ig1 n LYS 347 N -2.27 1.13 -2.27 -1.08 5.02 -0.58 -4.79 118.16 113.32 3ig1 n LYS 347 Ca -0.12 -3.52 -0.42 0.00 -2.02 0.00 0.00 58.31 52.22 3ig1 n LYS 347 Cb 0.50 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 3ig1 n LYS 347 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3ig1 s ASN 348 N -1.73 6.89 0.12 4.39 0.01 -1.26 -4.22 114.94 119.13 3ig1 s ASN 348 Ca 0.37 2.05 0.01 0.00 -0.71 0.00 0.00 52.86 54.59 3ig1 s ASN 348 Cb 0.21 -2.56 -0.18 0.00 0.41 0.00 0.00 41.25 39.13 3ig1 s ASN 348 CO -0.09 -0.69 1.25 -0.07 -1.51 0.00 0.00 177.10 175.99 3ig1 h LEU 349 N 8.32 0.24 -7.02 0.60 3.38 -1.32 -3.47 115.31 116.04 3ig1 h LEU 349 Ca -0.37 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.30 3ig1 h LEU 349 Cb 1.17 -0.08 -0.19 0.00 0.09 0.00 0.00 40.66 41.66 3ig1 h LEU 349 CO 0.90 1.14 0.17 -0.75 0.09 0.00 0.00 178.44 179.99 3ig1 s LYS 350 N -2.83 1.06 -0.08 1.13 2.20 -1.12 -5.00 119.74 115.10 3ig1 s LYS 350 Ca -0.02 0.20 -0.04 0.00 -0.36 0.00 0.00 55.97 55.75 3ig1 s LYS 350 Cb 0.09 0.50 0.04 0.00 -1.51 0.00 0.00 37.83 36.95 3ig1 s LYS 350 CO 0.85 -0.34 0.19 0.95 -0.36 0.00 0.00 175.35 176.64 3ig1 s THR 351 N -1.35 -0.06 0.28 3.43 -4.23 -1.26 -0.50 115.64 111.95 3ig1 s THR 351 Ca -0.10 0.17 0.03 0.00 -1.18 0.00 0.00 61.69 60.62 3ig1 s THR 351 Cb -0.00 -0.30 -0.04 0.00 1.34 0.00 0.00 72.50 73.50 3ig1 s THR 351 CO 0.08 0.07 0.20 -0.83 -0.54 0.00 0.00 174.62 173.60 3ig1 s GLY 352 N 1.26 1.97 -0.26 3.99 0.00 -0.82 -0.57 107.32 112.88 3ig1 s GLY 352 Ca -0.09 -1.86 -0.02 0.00 0.00 0.00 0.00 44.72 42.75 3ig1 s GLY 352 CO -0.07 -1.48 0.07 1.25 0.00 0.00 0.00 173.10 172.87 3ig1 s LYS 353 N -3.78 0.70 -1.08 2.90 2.20 -1.26 -1.15 119.74 118.27 3ig1 s LYS 353 Ca 0.39 -0.80 -0.21 0.00 -0.36 0.00 0.00 55.97 54.99 3ig1 s LYS 353 Cb 0.05 -1.99 0.07 0.00 -1.51 0.00 0.00 37.83 34.44 3ig1 s LYS 353 CO 0.20 -0.85 1.48 0.71 -0.36 0.00 0.00 175.35 176.53 3ig1 s TYR 354 N 1.73 2.69 0.02 4.03 4.12 0.99 -4.87 117.35 126.07 3ig1 s TYR 354 Ca 0.05 -1.12 -0.09 0.00 0.02 0.00 0.00 57.07 55.93 3ig1 s TYR 354 Cb -0.17 -4.65 -0.04 0.00 -1.52 0.00 0.00 41.96 35.58 3ig1 s TYR 354 CO -0.19 -1.84 1.14 0.00 0.02 0.00 0.00 175.55 174.68 3ig1 h ALA 355 N 9.10 -0.73 -2.26 3.71 0.00 -1.83 -1.21 119.26 126.04 3ig1 h ALA 355 Ca 0.25 -0.03 0.26 0.00 0.00 0.00 0.00 54.91 55.39 3ig1 h ALA 355 Cb 0.98 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 19.21 3ig1 h ALA 355 CO 1.39 -0.75 0.74 -0.98 0.00 0.00 0.00 179.25 179.66 3ig1 s ARG 356 N -3.70 0.82 0.58 0.00 1.70 -1.26 -3.49 118.95 113.60 3ig1 s ARG 356 Ca -0.04 -0.52 -0.01 0.00 -0.47 0.00 0.00 55.73 54.69 3ig1 s ARG 356 Cb 0.01 0.23 0.04 0.00 -0.57 0.00 0.00 34.95 34.66 3ig1 s ARG 356 CO 0.15 -0.38 0.83 1.41 -1.08 0.00 0.00 175.30 176.23 3ig1 s MET 357 N -2.16 2.51 -1.18 3.89 -2.45 -1.26 -4.96 119.30 113.69 3ig1 s MET 357 Ca 0.24 -0.62 -0.08 0.00 -1.25 0.00 0.00 55.69 53.99 3ig1 s MET 357 Cb -0.01 -2.41 0.23 0.00 1.25 0.00 0.00 34.83 33.89 3ig1 s MET 357 CO 0.02 -0.81 1.59 0.54 1.05 0.00 0.00 175.02 177.41 3ig1 n ARG 358 N -2.47 3.91 0.00 4.11 1.74 -1.26 -4.94 116.66 117.75 3ig1 n ARG 358 Ca 0.07 -4.06 0.00 0.00 -0.77 0.00 0.00 57.85 53.09 3ig1 n ARG 358 Cb 0.60 -2.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.30 3ig1 n ARG 358 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ig1 n GLY 359 N 2.38 -0.30 2.49 -0.13 0.00 -1.26 -4.96 105.19 103.42 3ig1 n GLY 359 Ca 0.32 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 3ig1 n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ig1 n ALA 360 N -0.19 6.78 -1.70 4.61 0.00 -1.26 -4.56 120.51 124.18 3ig1 n ALA 360 Ca 0.00 -4.01 -0.40 0.00 0.00 0.00 0.00 53.44 49.03 3ig1 n ALA 360 Cb 0.00 -2.91 -0.03 0.00 0.00 0.00 0.00 19.45 16.51 3ig1 n ALA 360 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ig1 s HIS 361 N -0.35 1.29 -1.93 0.00 2.46 -1.26 -4.84 115.29 110.66 3ig1 s HIS 361 Ca 0.55 0.93 0.00 0.00 0.47 0.00 0.00 55.06 57.01 3ig1 s HIS 361 Cb 0.17 -3.86 0.00 0.00 -0.13 0.00 0.00 32.58 28.76 3ig1 s HIS 361 CO -0.08 -3.18 0.79 0.25 -2.47 0.00 0.00 174.74 170.04 3ig1 n THR 362 N 7.73 0.00 -3.67 0.89 -2.24 -1.26 -4.43 114.28 111.30 3ig1 n THR 362 Ca 0.30 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.79 3ig1 n THR 362 Cb 0.49 -0.11 -0.12 0.00 -2.10 0.00 0.00 70.33 68.49 3ig1 n THR 362 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ig1 s ASN 363 N -1.12 3.38 0.26 3.42 3.84 -1.26 -4.97 114.94 118.49 3ig1 s ASN 363 Ca 0.00 -3.01 -0.07 0.00 0.21 0.00 0.00 52.86 49.99 3ig1 s ASN 363 Cb 0.00 -1.02 0.46 0.00 -0.55 0.00 0.00 41.25 40.14 3ig1 s ASN 363 CO 0.00 -0.20 1.59 0.44 -2.79 0.00 0.00 177.10 176.14 3ig1 h ASP 364 N 6.16 -0.63 -0.46 -4.21 3.45 -2.01 0.22 116.42 118.94 3ig1 h ASP 364 Ca 0.10 0.25 0.00 0.00 0.43 0.00 0.00 57.03 57.81 3ig1 h ASP 364 Cb 0.88 0.48 -0.02 0.00 -0.56 0.00 0.00 39.33 40.11 3ig1 h ASP 364 CO 0.51 -0.27 0.30 0.58 -1.57 0.00 0.00 179.24 178.79 3ig1 h VAL 365 N 0.03 1.12 -0.07 -1.35 2.07 -1.97 -1.05 116.25 115.03 3ig1 h VAL 365 Ca 0.45 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.70 3ig1 h VAL 365 Cb 0.76 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3ig1 h VAL 365 CO -0.84 0.12 -0.07 0.50 0.02 0.00 0.00 177.57 177.30 3ig1 h LYS 366 N 0.63 0.18 -0.55 1.57 3.64 -1.01 -1.95 116.57 119.08 3ig1 h LYS 366 Ca 0.17 -0.09 0.08 0.00 -1.27 0.00 0.00 60.65 59.53 3ig1 h LYS 366 Cb -0.06 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.70 3ig1 h LYS 366 CO -0.04 0.61 0.20 1.96 -2.27 0.00 0.00 179.45 179.92 3ig1 h GLN 367 N -0.25 0.37 -0.47 1.90 4.20 -0.71 0.05 115.11 120.21 3ig1 h GLN 367 Ca 0.01 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 3ig1 h GLN 367 Cb 0.58 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3ig1 h GLN 367 CO 0.02 0.25 0.08 1.25 -0.67 0.00 0.00 178.83 179.76 3ig1 h LEU 368 N 0.38 0.67 -0.75 1.46 5.85 -1.19 0.45 115.31 122.19 3ig1 h LEU 368 Ca 0.27 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.74 3ig1 h LEU 368 Cb 0.30 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3ig1 h LEU 368 CO -0.27 0.69 -0.42 0.74 -0.34 0.00 0.00 178.44 178.84 3ig1 h THR 369 N 0.69 1.31 -0.30 1.05 2.02 -0.47 -0.24 112.91 116.97 3ig1 h THR 369 Ca 0.15 -1.59 -0.17 0.00 0.77 0.00 0.00 66.41 65.57 3ig1 h THR 369 Cb 0.31 1.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 3ig1 h THR 369 CO 0.00 0.49 -0.48 -0.33 0.37 0.00 0.00 175.52 175.58 3ig1 h GLU 370 N 0.36 0.82 -0.54 6.66 5.08 -0.45 -2.82 114.58 123.70 3ig1 h GLU 370 Ca 0.03 -0.48 -0.08 0.00 -1.00 0.00 0.00 59.36 57.82 3ig1 h GLU 370 Cb 0.90 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3ig1 h GLU 370 CO 0.08 1.12 0.00 0.00 -1.00 0.00 0.00 179.01 179.20 3ig1 h ALA 371 N 0.80 0.98 -0.78 3.43 0.00 -0.59 -1.66 119.26 121.45 3ig1 h ALA 371 Ca 0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3ig1 h ALA 371 Cb 1.06 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3ig1 h ALA 371 CO 0.11 0.62 0.33 0.28 0.00 0.00 0.00 179.25 180.59 3ig1 h VAL 372 N 0.85 1.25 -0.08 0.00 2.07 -0.97 -1.63 116.25 117.73 3ig1 h VAL 372 Ca 0.16 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 3ig1 h VAL 372 Cb 0.50 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3ig1 h VAL 372 CO 0.02 0.32 -0.22 1.56 0.02 0.00 0.00 177.57 179.28 3ig1 h GLN 373 N 1.12 0.30 -0.14 1.57 4.20 -1.25 -1.67 115.11 119.24 3ig1 h GLN 373 Ca 0.26 -0.21 0.04 0.00 0.06 0.00 0.00 58.65 58.80 3ig1 h GLN 373 Cb 0.18 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 3ig1 h GLN 373 CO -0.03 0.81 -0.09 0.87 -0.67 0.00 0.00 178.83 179.72 3ig1 h LYS 374 N -0.18 -0.09 -0.98 1.46 1.57 -1.25 0.56 116.57 117.67 3ig1 h LYS 374 Ca -0.00 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3ig1 h LYS 374 Cb 0.82 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.11 3ig1 h LYS 374 CO 0.05 -0.06 0.64 0.82 -0.57 0.00 0.00 179.45 180.32 3ig1 h ILE 375 N -0.10 1.26 -0.06 1.86 2.04 -1.32 -0.41 117.51 120.79 3ig1 h ILE 375 Ca 0.08 -0.48 -0.08 0.00 1.00 0.00 0.00 64.86 65.38 3ig1 h ILE 375 Cb 0.22 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 3ig1 h ILE 375 CO -0.20 0.25 -0.35 0.74 0.00 0.00 0.00 178.15 178.59 3ig1 h THR 376 N 1.33 1.27 0.69 -0.27 2.02 -0.85 -1.03 112.91 116.08 3ig1 h THR 376 Ca 0.36 -1.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.21 3ig1 h THR 376 Cb -0.14 1.63 0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3ig1 h THR 376 CO -0.08 0.38 -0.33 0.74 0.37 0.00 0.00 175.52 176.60 3ig1 h THR 377 N 0.09 0.00 -0.93 3.16 2.02 0.47 -1.64 112.91 116.09 3ig1 h THR 377 Ca 0.01 -0.31 0.22 0.00 0.77 0.00 0.00 66.41 67.10 3ig1 h THR 377 Cb 0.67 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.96 3ig1 h THR 377 CO 0.05 0.00 0.47 -0.33 0.37 0.00 0.00 175.52 176.08 3ig1 h GLU 378 N -1.24 0.48 -0.78 6.66 5.08 -1.05 0.12 114.58 123.85 3ig1 h GLU 378 Ca -0.10 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 3ig1 h GLU 378 Cb 0.71 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 3ig1 h GLU 378 CO 0.16 0.32 0.35 1.03 -1.00 0.00 0.00 179.01 179.87 3ig1 h SER 379 N 0.50 1.05 -0.17 1.42 0.87 -1.11 -1.54 113.55 114.56 3ig1 h SER 379 Ca 0.58 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.98 3ig1 h SER 379 Cb 1.07 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 3ig1 h SER 379 CO -0.49 0.91 0.06 0.40 -0.53 0.00 0.00 176.83 177.17 3ig1 h ILE 380 N 1.12 1.18 -0.53 2.23 2.04 0.21 -0.59 117.51 123.16 3ig1 h ILE 380 Ca 0.27 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.62 3ig1 h ILE 380 Cb 0.15 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 3ig1 h ILE 380 CO -0.03 0.17 0.26 0.58 0.00 0.00 0.00 178.15 179.14 3ig1 h VAL 381 N 0.10 0.93 0.14 1.67 2.07 -1.19 0.13 116.25 120.10 3ig1 h VAL 381 Ca 0.06 -0.17 -0.30 0.00 0.82 0.00 0.00 66.70 67.11 3ig1 h VAL 381 Cb 0.22 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3ig1 h VAL 381 CO -0.00 0.09 -1.41 0.40 0.02 0.00 0.00 177.57 176.67 3ig1 h ILE 382 N 0.51 1.31 0.00 4.57 2.04 -1.17 -3.40 117.51 121.36 3ig1 h ILE 382 Ca 0.24 -2.90 0.00 0.00 1.00 0.00 0.00 64.86 63.20 3ig1 h ILE 382 Cb 0.17 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 3ig1 h ILE 382 CO -0.18 0.85 0.00 0.79 0.00 0.00 0.00 178.15 179.61 3ig1 n TRP 383 N -3.51 0.00 -1.28 1.37 8.01 -0.24 -4.96 117.44 116.83 3ig1 n TRP 383 Ca -0.13 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.06 3ig1 n TRP 383 Cb 1.04 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.34 3ig1 n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ig1 n GLY 384 N 0.79 0.46 3.64 6.99 0.00 0.44 -4.97 105.19 112.54 3ig1 n GLY 384 Ca 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 3ig1 n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ig1 s LYS 385 N -2.58 1.33 0.08 1.61 -2.85 -1.25 -4.97 119.74 111.11 3ig1 s LYS 385 Ca 0.00 -0.63 -0.12 0.00 -1.00 0.00 0.00 55.97 54.22 3ig1 s LYS 385 Cb 0.00 0.52 -0.06 0.00 -2.06 0.00 0.00 37.83 36.23 3ig1 s LYS 385 CO 0.00 -0.60 0.44 0.95 0.10 0.00 0.00 175.35 176.25 3ig1 s THR 386 N -3.58 5.01 0.45 3.79 -4.23 -1.26 -3.38 115.64 112.44 3ig1 s THR 386 Ca 0.07 0.64 -0.06 0.00 -1.18 0.00 0.00 61.69 61.16 3ig1 s THR 386 Cb -0.03 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 3ig1 s THR 386 CO -0.03 0.34 0.76 -2.16 -0.54 0.00 0.00 174.62 172.99 3ig1 s PRO 387 N -1.75 3.61 -0.09 3.99 0.04 -1.26 -4.55 135.00 134.99 3ig1 s PRO 387 Ca 0.32 0.25 -0.21 0.00 0.04 0.00 0.00 61.00 61.40 3ig1 s PRO 387 Cb -0.15 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 3ig1 s PRO 387 CO 0.17 -0.13 0.59 0.21 0.04 0.00 0.00 177.00 177.88 3ig1 s LYS 388 N -4.42 4.38 0.11 4.56 2.47 0.45 -4.23 119.74 123.06 3ig1 s LYS 388 Ca 0.48 0.67 -0.03 0.00 -1.56 0.00 0.00 55.97 55.53 3ig1 s LYS 388 Cb -0.10 -3.43 -0.05 0.00 -1.46 0.00 0.00 37.83 32.78 3ig1 s LYS 388 CO 0.40 0.14 0.31 -0.06 0.16 0.00 0.00 175.35 176.30 3ig1 s PHE 389 N 0.63 3.49 -0.43 4.03 0.40 0.26 -1.21 117.98 125.15 3ig1 s PHE 389 Ca 0.32 0.44 0.04 0.00 -0.60 0.00 0.00 56.93 57.12 3ig1 s PHE 389 Cb -0.17 -1.91 0.12 0.00 0.51 0.00 0.00 43.02 41.57 3ig1 s PHE 389 CO 0.14 0.49 0.16 0.15 0.70 0.00 0.00 175.22 176.86 3ig1 s LYS 390 N -2.61 1.66 -0.15 0.44 1.02 -0.25 0.16 119.74 120.01 3ig1 s LYS 390 Ca 0.39 -2.20 -0.20 0.00 0.02 0.00 0.00 55.97 53.98 3ig1 s LYS 390 Cb -0.12 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 3ig1 s LYS 390 CO 0.26 -1.03 0.59 -0.51 -0.92 0.00 0.00 175.35 173.74 3ig1 s LEU 391 N 0.35 4.21 -1.09 3.17 1.43 0.56 -3.54 118.68 123.77 3ig1 s LEU 391 Ca 0.14 0.88 -0.10 0.00 -1.03 0.00 0.00 54.13 54.02 3ig1 s LEU 391 Cb -0.22 -2.86 -0.07 0.00 0.03 0.00 0.00 46.19 43.07 3ig1 s LEU 391 CO -0.05 -0.16 2.28 -0.81 0.23 0.00 0.00 176.35 177.84 3ig1 n PRO 392 N 4.42 2.41 -3.71 1.29 -0.04 -1.26 -1.20 135.00 136.90 3ig1 n PRO 392 Ca -0.03 -1.76 -0.10 0.00 -0.04 0.00 0.00 63.50 61.57 3ig1 n PRO 392 Cb 0.51 -2.66 -0.05 0.00 -0.04 0.00 0.00 33.50 31.25 3ig1 n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3ig1 s ILE 393 N 3.37 0.09 -0.25 0.52 2.07 -1.26 -4.99 121.20 120.76 3ig1 s ILE 393 Ca 0.49 -0.78 -0.28 0.00 -1.41 0.00 0.00 60.65 58.67 3ig1 s ILE 393 Cb 0.13 -1.25 0.01 0.00 0.13 0.00 0.00 42.46 41.48 3ig1 s ILE 393 CO -0.02 -0.40 1.02 -1.10 -1.91 0.00 0.00 174.94 172.53 3ig1 s GLN 394 N -3.83 4.22 0.47 3.50 -1.52 -1.26 -4.35 119.66 116.88 3ig1 s GLN 394 Ca 0.04 1.26 0.36 0.00 -1.95 0.00 0.00 55.36 55.08 3ig1 s GLN 394 Cb 0.03 -3.66 1.55 0.00 -0.22 0.00 0.00 33.01 30.71 3ig1 s GLN 394 CO -0.11 -0.66 1.58 -0.22 -0.25 0.00 0.00 175.29 175.63 3ig1 h LYS 395 N 7.58 0.01 0.00 2.91 3.64 -1.95 0.78 116.57 129.53 3ig1 h LYS 395 Ca -0.20 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3ig1 h LYS 395 Cb 1.06 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3ig1 h LYS 395 CO 0.98 0.00 0.00 0.93 -2.27 0.00 0.00 179.45 179.09 3ig1 h GLU 396 N 0.01 0.00 0.09 1.90 3.07 -1.99 -0.45 114.58 117.20 3ig1 h GLU 396 Ca 0.90 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 59.44 3ig1 h GLU 396 Cb 3.04 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 30.92 3ig1 h GLU 396 CO -0.37 0.00 -1.72 1.15 -1.40 0.00 0.00 179.01 176.67 3ig1 h THR 397 N 0.00 0.91 -0.01 1.13 2.02 0.18 -3.29 112.91 113.85 3ig1 h THR 397 Ca 0.00 -2.64 -0.01 0.00 0.77 0.00 0.00 66.41 64.54 3ig1 h THR 397 Cb 0.94 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 3ig1 h THR 397 CO 0.00 0.75 -0.02 -0.25 0.37 0.00 0.00 175.52 176.38 3ig1 h TRP 398 N 0.05 0.03 0.00 3.16 2.91 -1.32 -3.15 115.95 117.63 3ig1 h TRP 398 Ca -0.31 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.70 3ig1 h TRP 398 Cb 2.02 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 30.66 3ig1 h TRP 398 CO 0.05 0.60 0.09 0.93 -1.03 0.00 0.00 178.44 179.09 3ig1 h GLU 399 N -0.55 0.00 0.00 2.65 5.08 -1.24 -2.11 114.58 118.41 3ig1 h GLU 399 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 3ig1 h GLU 399 Cb 0.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 3ig1 h GLU 399 CO 0.00 0.00 -1.36 1.15 -1.00 0.00 0.00 179.01 177.81 3ig1 h THR 400 N 0.00 0.79 0.00 1.13 2.02 -1.62 -3.42 112.91 111.81 3ig1 h THR 400 Ca 0.00 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.77 3ig1 h THR 400 Cb 0.19 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 3ig1 h THR 400 CO 0.00 0.45 0.00 0.79 0.37 0.00 0.00 175.52 177.13 3ig1 n TRP 401 N -3.03 0.00 -0.06 3.16 7.02 -0.85 -4.82 117.44 118.86 3ig1 n TRP 401 Ca -0.10 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.23 3ig1 n TRP 401 Cb 0.91 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.74 3ig1 n TRP 401 CO 0.00 0.00 0.00 0.11 -2.02 0.00 0.00 177.69 175.78 3ig1 h TRP 402 N 0.00 0.96 0.00 -5.99 5.08 -1.67 -1.94 115.95 112.39 3ig1 h TRP 402 Ca 0.00 -0.36 0.00 0.00 1.08 0.00 0.00 58.89 59.61 3ig1 h TRP 402 Cb 0.04 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 26.03 3ig1 h TRP 402 CO 0.00 1.16 0.02 1.79 -1.28 0.00 0.00 178.44 180.13 3ig1 h THR 403 N 0.48 0.00 -0.00 0.12 1.35 -1.88 -1.19 112.91 111.80 3ig1 h THR 403 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3ig1 h THR 403 Cb 1.13 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3ig1 h THR 403 CO 0.11 0.00 -0.00 -0.62 -0.25 0.00 0.00 175.52 174.76 3ig1 n GLU 404 N -2.95 0.68 0.00 4.72 -0.58 -0.73 -3.54 120.64 118.24 3ig1 n GLU 404 Ca -0.03 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 3ig1 n GLU 404 Cb 0.08 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 3ig1 n GLU 404 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3ig1 n TYR 405 N -1.15 0.00 -2.44 -0.32 4.02 -0.48 -5.07 117.16 111.72 3ig1 n TYR 405 Ca 0.18 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.90 57.61 3ig1 n TYR 405 Cb 0.19 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.46 3ig1 n TYR 405 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 3ig1 s TRP 406 N -0.12 3.52 0.00 -0.72 -0.11 -1.01 -4.85 118.94 115.65 3ig1 s TRP 406 Ca 0.00 1.58 0.00 0.00 1.22 0.00 0.00 56.10 58.90 3ig1 s TRP 406 Cb 0.00 -3.34 0.00 0.00 -1.50 0.00 0.00 33.47 28.63 3ig1 s TRP 406 CO 0.00 -0.80 0.12 1.04 -4.62 0.00 0.00 176.95 172.69 3ig1 n GLN 407 N 1.90 0.40 -2.45 5.86 6.02 -1.26 -4.57 117.38 123.27 3ig1 n GLN 407 Ca 0.02 -0.12 -0.24 0.00 -0.01 0.00 0.00 57.00 56.65 3ig1 n GLN 407 Cb 0.45 -0.52 0.05 0.00 1.02 0.00 0.00 30.24 31.23 3ig1 n GLN 407 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ig1 s ALA 408 N -0.09 3.48 -2.79 -1.58 0.00 -1.26 -4.53 121.76 114.99 3ig1 s ALA 408 Ca 0.00 -1.03 0.23 0.00 0.00 0.00 0.00 51.96 51.16 3ig1 s ALA 408 Cb 0.00 -2.39 0.21 0.00 0.00 0.00 0.00 23.12 20.94 3ig1 s ALA 408 CO 0.00 -0.95 1.24 0.25 0.00 0.00 0.00 175.76 176.30 3ig1 n THR 409 N -2.60 0.06 -4.41 0.00 -2.24 -1.26 -4.95 114.28 98.88 3ig1 n THR 409 Ca 0.07 -0.53 -0.23 0.00 -2.27 0.00 0.00 64.05 61.09 3ig1 n THR 409 Cb 0.59 1.42 -0.10 0.00 -2.10 0.00 0.00 70.33 70.14 3ig1 n THR 409 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3ig1 s TRP 410 N -1.85 2.08 -0.09 4.78 -0.00 -1.26 -4.56 118.94 118.04 3ig1 s TRP 410 Ca 0.28 -0.42 -0.00 0.00 -0.00 0.00 0.00 56.10 55.96 3ig1 s TRP 410 Cb 0.19 -0.94 0.02 0.00 -0.00 0.00 0.00 33.47 32.74 3ig1 s TRP 410 CO 0.29 0.55 -0.05 0.42 -0.00 0.00 0.00 176.95 178.15 3ig1 s ILE 411 N -2.48 0.80 0.68 0.66 1.01 -1.26 -5.05 121.20 115.56 3ig1 s ILE 411 Ca 0.25 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.66 3ig1 s ILE 411 Cb -0.04 -0.85 0.04 0.00 0.01 0.00 0.00 42.46 41.61 3ig1 s ILE 411 CO 0.11 0.32 1.02 -2.16 0.00 0.00 0.00 174.94 174.23 3ig1 s PRO 412 N 1.66 2.55 0.17 2.79 0.04 -1.26 -4.85 135.00 136.11 3ig1 s PRO 412 Ca 0.02 0.04 -0.22 0.00 0.04 0.00 0.00 61.00 60.88 3ig1 s PRO 412 Cb -0.13 -2.14 -0.08 0.00 0.04 0.00 0.00 34.50 32.19 3ig1 s PRO 412 CO -0.06 -1.06 0.72 -1.21 0.04 0.00 0.00 177.00 175.42 3ig1 s GLU 413 N -5.23 4.37 0.01 4.56 0.41 -1.26 -4.97 118.70 116.59 3ig1 s GLU 413 Ca 0.58 0.96 -0.02 0.00 -0.41 0.00 0.00 54.97 56.08 3ig1 s GLU 413 Cb -0.11 -3.10 -0.01 0.00 -1.78 0.00 0.00 34.13 29.13 3ig1 s GLU 413 CO 0.47 0.51 0.02 1.67 -0.49 0.00 0.00 175.26 177.44 3ig1 s TRP 414 N -1.30 0.17 0.51 1.61 -2.14 -1.26 0.90 118.94 117.43 3ig1 s TRP 414 Ca 0.37 -0.36 0.01 0.00 2.66 0.00 0.00 56.10 58.79 3ig1 s TRP 414 Cb -0.20 -0.13 -0.01 0.00 -3.10 0.00 0.00 33.47 30.04 3ig1 s TRP 414 CO 0.23 -0.20 0.02 -1.83 -2.66 0.00 0.00 176.95 172.51 3ig1 s GLU 415 N -1.28 2.19 -0.14 3.25 -1.05 0.42 -4.88 118.70 117.22 3ig1 s GLU 415 Ca -0.14 -2.41 0.02 0.00 -0.15 0.00 0.00 54.97 52.29 3ig1 s GLU 415 Cb -0.08 -1.37 0.01 0.00 -0.44 0.00 0.00 34.13 32.25 3ig1 s GLU 415 CO -0.00 -0.43 -0.20 -0.06 0.95 0.00 0.00 175.26 175.52 3ig1 s PHE 416 N -2.94 2.52 -0.32 4.83 0.40 -1.26 -0.33 117.98 120.88 3ig1 s PHE 416 Ca 0.04 -1.28 -0.20 0.00 -0.60 0.00 0.00 56.93 54.89 3ig1 s PHE 416 Cb 0.00 -1.74 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 3ig1 s PHE 416 CO 0.03 -0.60 0.62 0.08 0.70 0.00 0.00 175.22 176.04 3ig1 s VAL 417 N 0.90 4.93 -0.30 -0.44 1.01 -0.34 -4.89 120.40 121.26 3ig1 s VAL 417 Ca -0.06 0.74 0.22 0.00 0.00 0.00 0.00 61.98 62.88 3ig1 s VAL 417 Cb -0.15 -4.01 -0.17 0.00 0.00 0.00 0.00 36.38 32.04 3ig1 s VAL 417 CO -0.03 -0.19 0.82 0.59 0.00 0.00 0.00 175.10 176.29 3ig1 n ASN 418 N 5.91 0.47 -4.47 3.32 5.03 -1.26 -4.21 115.26 120.04 3ig1 n ASN 418 Ca -0.01 -0.02 -0.37 0.00 0.87 0.00 0.00 54.58 55.05 3ig1 n ASN 418 Cb 0.49 1.17 -0.12 0.00 -1.02 0.00 0.00 39.78 40.29 3ig1 n ASN 418 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3ig1 s THR 419 N -3.36 4.50 -0.20 3.41 2.01 -1.26 -5.04 115.64 115.70 3ig1 s THR 419 Ca -0.02 -0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.56 3ig1 s THR 419 Cb 0.13 -3.12 -0.07 0.00 0.01 0.00 0.00 72.50 69.45 3ig1 s THR 419 CO 0.84 0.31 2.18 -0.81 -0.69 0.00 0.00 174.62 176.45 3ig1 n PRO 420 N 4.95 1.97 -1.70 4.92 -0.04 -1.26 -4.95 135.00 138.89 3ig1 n PRO 420 Ca -0.16 0.58 -0.32 0.00 -0.04 0.00 0.00 63.50 63.55 3ig1 n PRO 420 Cb 0.51 -3.10 0.05 0.00 -0.04 0.00 0.00 33.50 30.92 3ig1 n PRO 420 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3ig1 s PRO 421 N 6.05 2.79 0.14 0.54 0.04 -1.26 -4.98 135.00 138.31 3ig1 s PRO 421 Ca 1.00 1.30 0.22 0.00 0.04 0.00 0.00 61.00 63.56 3ig1 s PRO 421 Cb -0.42 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.07 3ig1 s PRO 421 CO 0.38 -1.25 0.89 1.28 0.04 0.00 0.00 177.00 178.34 3ig1 n LEU 422 N -2.59 0.65 0.00 -3.56 4.77 -1.26 -4.03 117.00 110.98 3ig1 n LEU 422 Ca 0.10 0.26 0.04 0.00 -0.03 0.00 0.00 56.01 56.37 3ig1 n LEU 422 Cb 0.52 -0.03 0.18 0.00 -2.33 0.00 0.00 43.42 41.76 3ig1 n LEU 422 CO 0.49 -0.11 0.62 1.33 -1.33 0.00 0.00 177.39 178.39 3ig1 n VAL 423 N -2.61 1.37 0.05 4.08 0.24 -1.26 -1.15 118.33 119.05 3ig1 n VAL 423 Ca -0.02 0.34 -0.04 0.00 -2.04 0.00 0.00 64.34 62.58 3ig1 n VAL 423 Cb 0.59 -1.20 0.18 0.00 -1.47 0.00 0.00 33.84 31.94 3ig1 n VAL 423 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3ig1 h LYS 424 N 0.00 0.38 0.00 7.34 5.09 -1.93 -1.08 116.57 126.37 3ig1 h LYS 424 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 60.65 60.56 3ig1 h LYS 424 Cb 0.13 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 32.46 3ig1 h LYS 424 CO 0.00 0.71 0.00 -0.11 -2.09 0.00 0.00 179.45 177.96 3ig1 n LEU 425 N -4.04 0.17 -0.00 7.07 7.94 -0.30 -3.86 117.00 123.97 3ig1 n LEU 425 Ca -0.01 0.53 0.01 0.00 -1.11 0.00 0.00 56.01 55.43 3ig1 n LEU 425 Cb 0.48 -0.50 -0.01 0.00 0.53 0.00 0.00 43.42 43.91 3ig1 n LEU 425 CO 0.43 -0.26 -0.48 0.79 -1.11 0.00 0.00 177.39 176.76 3ig1 n TRP 426 N -1.68 0.00 -3.20 1.96 8.01 -0.64 -4.88 117.44 117.00 3ig1 n TRP 426 Ca 0.04 0.00 -0.46 0.00 -1.31 0.00 0.00 57.50 55.77 3ig1 n TRP 426 Cb 0.23 -0.04 -0.02 0.00 -2.01 0.00 0.00 31.31 29.47 3ig1 n TRP 426 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3ig1 s TYR 427 N -2.04 3.56 -1.82 -5.99 4.12 -0.50 -4.95 117.35 109.73 3ig1 s TYR 427 Ca -0.01 -1.81 0.15 0.00 0.02 0.00 0.00 57.07 55.42 3ig1 s TYR 427 Cb 0.01 -3.97 0.12 0.00 -1.52 0.00 0.00 41.96 36.60 3ig1 s TYR 427 CO 0.07 -1.15 0.96 1.04 0.02 0.00 0.00 175.55 176.49