#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ir1 s PHE 13 N 0.00 3.22 -0.21 -0.32 5.36 -1.26 -5.04 117.98 119.73 1ir1 s PHE 13 Ca 0.00 -0.01 0.01 0.00 -0.96 0.00 0.00 56.93 55.98 1ir1 s PHE 13 Cb 0.00 -2.42 0.05 0.00 -0.34 0.00 0.00 43.02 40.31 1ir1 s PHE 13 CO 0.00 -0.24 -0.11 0.21 -1.46 0.00 0.00 175.22 173.62 1ir1 s LYS 14 N 1.75 2.14 0.60 10.12 2.47 -1.26 -5.11 119.74 130.44 1ir1 s LYS 14 Ca 0.07 -0.97 -0.18 0.00 -1.56 0.00 0.00 55.97 53.33 1ir1 s LYS 14 Cb -0.17 -2.56 -0.03 0.00 -1.46 0.00 0.00 37.83 33.62 1ir1 s LYS 14 CO 0.11 -0.45 1.15 0.00 0.16 0.00 0.00 175.35 176.32 1ir1 s ALA 15 N 1.32 2.55 0.00 3.13 0.00 -1.26 -4.85 121.76 122.65 1ir1 s ALA 15 Ca -0.03 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1ir1 s ALA 15 Cb -0.17 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1ir1 s ALA 15 CO -0.08 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.00 1ir1 n GLY 16 N 0.10 3.06 3.82 0.00 0.00 -1.26 -5.00 105.19 105.91 1ir1 n GLY 16 Ca 0.12 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 1ir1 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ir1 s VAL 17 N -2.09 4.99 0.17 1.61 1.01 -1.26 -1.93 120.40 122.90 1ir1 s VAL 17 Ca 0.00 0.92 0.05 0.00 0.00 0.00 0.00 61.98 62.94 1ir1 s VAL 17 Cb 0.00 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1ir1 s VAL 17 CO 0.00 0.56 -0.09 -0.54 0.00 0.00 0.00 175.10 175.03 1ir1 s LYS 18 N -0.95 1.16 0.46 2.72 1.02 -1.26 -5.00 119.74 117.89 1ir1 s LYS 18 Ca 0.25 -1.52 -0.23 0.00 0.02 0.00 0.00 55.97 54.49 1ir1 s LYS 18 Cb -0.17 -0.70 -0.07 0.00 -0.52 0.00 0.00 37.83 36.37 1ir1 s LYS 18 CO 0.14 0.06 1.17 -0.51 -0.92 0.00 0.00 175.35 175.28 1ir1 s ASP 19 N -3.22 6.17 0.36 2.83 1.01 -1.26 -4.92 116.67 117.64 1ir1 s ASP 19 Ca 0.20 2.31 0.08 0.00 0.71 0.00 0.00 52.55 55.84 1ir1 s ASP 19 Cb 0.03 -2.60 0.71 0.00 1.01 0.00 0.00 42.92 42.06 1ir1 s ASP 19 CO 0.03 -0.92 1.89 1.88 0.21 0.00 0.00 175.17 178.26 1ir1 h TYR 20 N 2.05 0.33 0.00 4.23 0.05 -1.92 -2.99 116.97 118.72 1ir1 h TYR 20 Ca -0.49 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.24 1ir1 h TYR 20 Cb 1.25 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.89 1ir1 h TYR 20 CO 0.53 0.44 -0.02 1.57 -1.05 0.00 0.00 178.16 179.63 1ir1 h LYS 21 N 0.30 0.00 0.00 4.88 2.10 -1.84 0.62 116.57 122.62 1ir1 h LYS 21 Ca 0.06 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.68 1ir1 h LYS 21 Cb 0.40 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1ir1 h LYS 21 CO 0.02 0.02 -0.16 -0.07 -2.00 0.00 0.00 179.45 177.27 1ir1 h LEU 22 N 0.00 0.00 0.00 7.07 3.38 -1.86 -2.98 115.31 120.92 1ir1 h LEU 22 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1ir1 h LEU 22 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1ir1 h LEU 22 CO 0.00 0.16 -1.19 0.41 0.09 0.00 0.00 178.44 177.91 1ir1 n THR 23 N -3.82 0.19 0.80 0.22 -1.04 -0.84 -4.83 114.28 104.96 1ir1 n THR 23 Ca -0.02 -0.10 0.11 0.00 -2.04 0.00 0.00 64.05 62.00 1ir1 n THR 23 Cb 0.26 -0.80 0.10 0.00 -1.82 0.00 0.00 70.33 68.07 1ir1 n THR 23 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1ir1 n TYR 24 N -2.30 0.06 -3.68 -1.42 4.01 0.15 -4.82 117.16 109.16 1ir1 n TYR 24 Ca -0.05 -0.04 -0.39 0.00 -0.16 0.00 0.00 57.90 57.26 1ir1 n TYR 24 Cb 0.58 -0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.49 1ir1 n TYR 24 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1ir1 s TYR 25 N -1.73 3.27 -0.54 -0.72 5.04 -1.12 -1.28 117.35 120.27 1ir1 s TYR 25 Ca 0.26 -1.33 0.05 0.00 -2.44 0.00 0.00 57.07 53.62 1ir1 s TYR 25 Cb 0.18 -2.45 0.20 0.00 0.35 0.00 0.00 41.96 40.24 1ir1 s TYR 25 CO 0.27 -0.73 0.48 0.25 -1.34 0.00 0.00 175.55 174.48 1ir1 n THR 26 N 4.88 0.32 0.16 4.34 -2.24 -0.05 -4.88 114.28 116.81 1ir1 n THR 26 Ca -0.12 -4.26 0.07 0.00 -2.27 0.00 0.00 64.05 57.47 1ir1 n THR 26 Cb 0.45 -1.94 0.34 0.00 -2.10 0.00 0.00 70.33 67.08 1ir1 n THR 26 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1ir1 n PRO 27 N 2.00 0.08 0.00 -0.78 -0.04 -1.26 -1.91 135.00 133.10 1ir1 n PRO 27 Ca 0.25 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.37 1ir1 n PRO 27 Cb 0.44 -1.75 0.22 0.00 -0.04 0.00 0.00 33.50 32.37 1ir1 n PRO 27 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ir1 n GLU 28 N -1.92 1.46 -2.19 0.54 0.00 -1.26 -4.86 120.64 112.41 1ir1 n GLU 28 Ca -0.00 -1.08 -0.42 0.00 0.00 0.00 0.00 57.16 55.67 1ir1 n GLU 28 Cb 0.06 -1.48 -0.03 0.00 0.00 0.00 0.00 31.44 29.99 1ir1 n GLU 28 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1ir1 s TYR 29 N -2.28 3.25 -0.24 -1.84 5.04 -0.80 -5.01 117.35 115.46 1ir1 s TYR 29 Ca 0.26 1.05 -0.08 0.00 -2.44 0.00 0.00 57.07 55.86 1ir1 s TYR 29 Cb 0.19 -3.65 -0.04 0.00 0.35 0.00 0.00 41.96 38.81 1ir1 s TYR 29 CO 0.45 -2.20 0.10 -1.21 -1.34 0.00 0.00 175.55 171.36 1ir1 s GLU 30 N 0.65 3.82 0.60 4.97 2.02 -1.26 -4.97 118.70 124.53 1ir1 s GLU 30 Ca 0.62 -0.40 -0.19 0.00 0.02 0.00 0.00 54.97 55.02 1ir1 s GLU 30 Cb -0.37 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.44 1ir1 s GLU 30 CO 0.33 -0.07 1.25 0.95 0.02 0.00 0.00 175.26 177.75 1ir1 s THR 31 N 1.33 2.38 0.22 3.63 -4.23 -1.26 -5.03 115.64 112.68 1ir1 s THR 31 Ca 0.06 0.24 -0.01 0.00 -1.18 0.00 0.00 61.69 60.80 1ir1 s THR 31 Cb -0.15 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.55 1ir1 s THR 31 CO 0.05 -0.05 0.41 -0.76 -0.54 0.00 0.00 174.62 173.74 1ir1 s LEU 32 N -4.09 4.20 0.00 4.79 1.02 -1.26 -4.99 118.68 118.36 1ir1 s LEU 32 Ca 0.78 0.41 0.15 0.00 0.02 0.00 0.00 54.13 55.49 1ir1 s LEU 32 Cb -0.34 -3.19 0.65 0.00 0.02 0.00 0.00 46.19 43.33 1ir1 s LEU 32 CO 0.37 -0.07 1.46 0.47 0.02 0.00 0.00 176.35 178.59 1ir1 n ASP 33 N -0.79 0.00 -0.54 2.29 8.00 -1.26 -2.17 116.55 122.08 1ir1 n ASP 33 Ca -0.05 0.42 0.10 0.00 0.71 0.00 0.00 54.79 55.97 1ir1 n ASP 33 Cb 0.54 -0.46 0.02 0.00 -0.02 0.00 0.00 41.12 41.20 1ir1 n ASP 33 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ir1 n THR 34 N -1.46 0.00 -2.64 -3.53 -2.24 -1.26 -4.52 114.28 98.64 1ir1 n THR 34 Ca 0.04 -0.35 -0.35 0.00 -2.27 0.00 0.00 64.05 61.13 1ir1 n THR 34 Cb 0.16 1.28 -0.05 0.00 -2.10 0.00 0.00 70.33 69.63 1ir1 n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ir1 s ASP 35 N -2.08 6.70 -0.23 3.42 1.01 -0.92 -3.64 116.67 120.93 1ir1 s ASP 35 Ca 0.18 1.89 -0.15 0.00 0.71 0.00 0.00 52.55 55.18 1ir1 s ASP 35 Cb 0.16 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1ir1 s ASP 35 CO 0.43 -0.53 0.35 -0.63 0.21 0.00 0.00 175.17 175.00 1ir1 s ILE 36 N -1.91 5.22 -0.05 0.77 1.09 0.40 -4.19 121.20 122.53 1ir1 s ILE 36 Ca 0.62 0.57 -0.01 0.00 -1.10 0.00 0.00 60.65 60.73 1ir1 s ILE 36 Cb -0.16 -3.68 -0.04 0.00 -1.06 0.00 0.00 42.46 37.52 1ir1 s ILE 36 CO 0.20 0.23 0.04 -0.76 -0.10 0.00 0.00 174.94 174.56 1ir1 s LEU 37 N 1.54 3.74 -0.00 2.97 1.43 -0.87 -0.33 118.68 127.17 1ir1 s LEU 37 Ca 0.16 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 1ir1 s LEU 37 Cb -0.15 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 1ir1 s LEU 37 CO 0.08 0.33 -0.11 0.00 0.23 0.00 0.00 176.35 176.88 1ir1 s ALA 38 N -1.04 0.90 -0.30 4.21 0.00 0.28 0.18 121.76 125.99 1ir1 s ALA 38 Ca 0.18 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 1ir1 s ALA 38 Cb -0.12 -0.21 0.05 0.00 0.00 0.00 0.00 23.12 22.85 1ir1 s ALA 38 CO 0.08 0.21 -0.00 0.00 0.00 0.00 0.00 175.76 176.04 1ir1 s ALA 39 N -0.37 2.80 -0.11 0.00 0.00 -0.87 -1.12 121.76 122.10 1ir1 s ALA 39 Ca 0.03 -1.78 -0.05 0.00 0.00 0.00 0.00 51.96 50.17 1ir1 s ALA 39 Cb -0.05 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1ir1 s ALA 39 CO -0.00 -1.28 0.07 -0.06 0.00 0.00 0.00 175.76 174.49 1ir1 s PHE 40 N 1.24 3.35 -0.49 0.00 0.08 -0.52 -0.69 117.98 120.94 1ir1 s PHE 40 Ca -0.05 0.32 -0.17 0.00 0.12 0.00 0.00 56.93 57.15 1ir1 s PHE 40 Cb -0.20 -1.88 0.07 0.00 -0.57 0.00 0.00 43.02 40.44 1ir1 s PHE 40 CO -0.01 0.55 0.50 0.50 -0.10 0.00 0.00 175.22 176.66 1ir1 s ARG 41 N -0.81 3.04 -0.19 0.44 3.52 0.12 -0.39 118.95 124.67 1ir1 s ARG 41 Ca 0.13 -1.18 -0.08 0.00 -0.13 0.00 0.00 55.73 54.46 1ir1 s ARG 41 Cb -0.12 -4.13 -0.04 0.00 -1.56 0.00 0.00 34.95 29.10 1ir1 s ARG 41 CO 0.03 -1.14 0.08 0.08 -0.81 0.00 0.00 175.30 173.53 1ir1 s VAL 42 N 2.07 4.88 -0.48 7.11 1.01 0.16 -1.86 120.40 133.30 1ir1 s VAL 42 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1ir1 s VAL 42 Cb -0.23 -3.21 0.12 0.00 0.00 0.00 0.00 36.38 33.07 1ir1 s VAL 42 CO 0.09 0.45 0.22 -0.44 0.00 0.00 0.00 175.10 175.41 1ir1 s SER 43 N 0.46 4.50 0.74 3.32 0.01 -0.81 -1.00 113.70 120.91 1ir1 s SER 43 Ca 0.04 -2.79 -0.12 0.00 1.31 0.00 0.00 55.95 54.39 1ir1 s SER 43 Cb -0.12 -1.66 0.04 0.00 0.21 0.00 0.00 66.02 64.49 1ir1 s SER 43 CO 0.00 -0.28 1.09 -2.84 0.41 0.00 0.00 173.24 171.62 1ir1 s PRO 44 N 0.02 2.47 0.68 12.44 0.02 -1.25 -0.09 135.00 149.29 1ir1 s PRO 44 Ca 0.15 1.19 -0.12 0.00 0.02 0.00 0.00 61.00 62.24 1ir1 s PRO 44 Cb -0.24 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.36 1ir1 s PRO 44 CO -0.02 -1.48 1.06 -0.65 -0.33 0.00 0.00 177.00 175.58 1ir1 s GLN 45 N -4.74 2.94 0.28 5.54 -1.52 -0.74 -4.45 119.66 116.97 1ir1 s GLN 45 Ca 0.62 1.05 -0.30 0.00 -1.95 0.00 0.00 55.36 54.78 1ir1 s GLN 45 Cb -0.17 -1.99 -0.12 0.00 -0.22 0.00 0.00 33.01 30.51 1ir1 s GLN 45 CO 0.52 -1.10 1.60 -2.30 -0.25 0.00 0.00 175.29 173.77 1ir1 n PRO 46 N -2.90 2.67 -0.02 2.91 -0.02 -1.26 -2.21 135.00 134.17 1ir1 n PRO 46 Ca 0.08 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 1ir1 n PRO 46 Cb 0.53 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1ir1 n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ir1 n GLY 47 N 2.41 0.71 3.54 -1.23 0.00 -1.26 -5.04 105.19 104.31 1ir1 n GLY 47 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1ir1 n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ir1 s VAL 48 N -2.26 5.28 0.52 1.61 1.01 -0.94 -5.07 120.40 120.55 1ir1 s VAL 48 Ca 0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.62 1ir1 s VAL 48 Cb 0.00 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 1ir1 s VAL 48 CO 0.00 0.03 1.36 -2.84 0.00 0.00 0.00 175.10 173.65 1ir1 s PRO 49 N 1.75 3.31 0.46 2.72 0.02 -1.26 -4.75 135.00 137.24 1ir1 s PRO 49 Ca 0.07 2.25 0.12 0.00 0.02 0.00 0.00 61.00 63.45 1ir1 s PRO 49 Cb -0.17 -2.36 1.05 0.00 0.02 0.00 0.00 34.50 33.04 1ir1 s PRO 49 CO 0.11 -1.06 2.09 -1.00 -0.33 0.00 0.00 177.00 176.81 1ir1 h PRO 50 N 1.71 0.29 -0.77 5.54 0.13 -1.98 -1.26 132.00 135.66 1ir1 h PRO 50 Ca -0.51 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.57 1ir1 h PRO 50 Cb 1.29 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1ir1 h PRO 50 CO 0.58 0.19 0.34 0.93 -0.23 0.00 0.00 178.00 179.81 1ir1 h GLU 51 N 0.30 1.13 -0.23 0.86 3.07 -1.99 0.91 114.58 118.63 1ir1 h GLU 51 Ca 0.09 -0.19 -0.17 0.00 -0.50 0.00 0.00 59.36 58.60 1ir1 h GLU 51 Cb 0.02 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 27.74 1ir1 h GLU 51 CO -0.02 0.90 -0.51 1.49 -1.40 0.00 0.00 179.01 179.46 1ir1 h GLU 52 N 1.09 0.76 -0.45 2.33 4.57 -1.70 -1.37 114.58 119.81 1ir1 h GLU 52 Ca 0.26 -0.50 -0.03 0.00 -1.18 0.00 0.00 59.36 57.91 1ir1 h GLU 52 Cb 0.17 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1ir1 h GLU 52 CO -0.03 1.13 0.18 0.00 -1.18 0.00 0.00 179.01 179.11 1ir1 h ALA 53 N 0.63 0.58 -0.60 2.92 0.00 -1.03 0.29 119.26 122.05 1ir1 h ALA 53 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1ir1 h ALA 53 Cb 1.12 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1ir1 h ALA 53 CO 0.11 0.19 0.19 0.78 0.00 0.00 0.00 179.25 180.52 1ir1 h GLY 54 N 0.58 0.99 1.31 0.00 0.00 -0.81 -2.39 103.07 102.76 1ir1 h GLY 54 Ca 0.15 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1ir1 h GLY 54 CO -0.01 0.55 0.10 0.00 0.00 0.00 0.00 176.54 177.17 1ir1 h ALA 55 N 1.06 1.15 -0.55 3.60 0.00 -0.97 -2.10 119.26 121.46 1ir1 h ALA 55 Ca 0.19 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1ir1 h ALA 55 Cb 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ir1 h ALA 55 CO -0.01 0.56 0.06 0.00 0.00 0.00 0.00 179.25 179.87 1ir1 h ALA 56 N 1.29 0.73 -0.27 0.00 0.00 -0.66 -0.26 119.26 120.09 1ir1 h ALA 56 Ca 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ir1 h ALA 56 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ir1 h ALA 56 CO 0.00 0.50 0.14 0.28 0.00 0.00 0.00 179.25 180.17 1ir1 h VAL 57 N 0.81 1.13 -0.49 0.00 2.07 -1.19 -1.41 116.25 117.17 1ir1 h VAL 57 Ca 0.16 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1ir1 h VAL 57 Cb 0.45 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1ir1 h VAL 57 CO 0.02 0.13 0.28 0.00 0.02 0.00 0.00 177.57 178.02 1ir1 h ALA 58 N 1.01 0.62 0.62 1.67 0.00 -1.22 -2.87 119.26 119.10 1ir1 h ALA 58 Ca 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ir1 h ALA 58 Cb 0.09 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ir1 h ALA 58 CO -0.01 0.13 -0.30 0.00 0.00 0.00 0.00 179.25 179.07 1ir1 h ALA 59 N 1.12 -0.83 0.00 0.00 0.00 -0.87 -3.07 119.26 115.61 1ir1 h ALA 59 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ir1 h ALA 59 Cb 0.02 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ir1 h ALA 59 CO -0.03 -0.91 0.00 0.39 0.00 0.00 0.00 179.25 178.70 1ir1 n GLU 60 N -5.41 0.77 -0.07 0.00 -0.58 -0.55 -1.25 120.64 113.56 1ir1 n GLU 60 Ca -0.13 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.64 1ir1 n GLU 60 Cb 0.35 -1.29 0.06 0.00 -0.57 0.00 0.00 31.44 29.99 1ir1 n GLU 60 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1ir1 n SER 61 N -0.79 2.34 0.00 1.62 3.41 -1.08 -4.66 113.62 114.45 1ir1 n SER 61 Ca 0.11 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1ir1 n SER 61 Cb 0.05 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1ir1 n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ir1 n SER 62 N -0.28 0.00 0.00 4.04 3.41 -0.88 -4.31 113.62 115.60 1ir1 n SER 62 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1ir1 n SER 62 Cb 0.34 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1ir1 n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ir1 n THR 63 N -1.52 0.00 -2.89 6.66 -2.24 -0.95 -4.95 114.28 108.39 1ir1 n THR 63 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1ir1 n THR 63 Cb 0.00 0.27 0.02 0.00 -2.10 0.00 0.00 70.33 68.52 1ir1 n THR 63 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ir1 s GLY 64 N -1.16 1.91 0.11 3.38 0.00 -0.38 -5.02 107.32 106.15 1ir1 s GLY 64 Ca 0.00 -1.56 0.02 0.00 0.00 0.00 0.00 44.72 43.18 1ir1 s GLY 64 CO 0.00 -1.34 0.06 -0.37 0.00 0.00 0.00 173.10 171.45 1ir1 n THR 65 N -2.01 0.00 0.36 0.90 5.66 -1.26 -4.17 114.28 113.75 1ir1 n THR 65 Ca 0.08 -0.70 0.14 0.00 -3.05 0.00 0.00 64.05 60.52 1ir1 n THR 65 Cb 0.59 0.30 0.55 0.00 -1.55 0.00 0.00 70.33 70.22 1ir1 n THR 65 CO 0.00 0.00 0.00 4.11 -3.05 0.00 0.00 175.07 176.13 1ir1 h TRP 66 N 1.25 0.00 -4.33 1.09 5.08 -2.00 -3.45 115.95 113.59 1ir1 h TRP 66 Ca -0.08 0.00 -0.19 0.00 1.08 0.00 0.00 58.89 59.70 1ir1 h TRP 66 Cb 0.35 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 26.36 1ir1 h TRP 66 CO 0.00 0.00 -0.65 -0.08 -1.28 0.00 0.00 178.44 176.43 1ir1 s THR 67 N -3.42 0.18 0.20 0.12 -1.32 -1.26 -4.68 115.64 105.45 1ir1 s THR 67 Ca 0.03 -1.91 -0.30 0.00 -1.21 0.00 0.00 61.69 58.31 1ir1 s THR 67 Cb 0.09 -1.99 -0.08 0.00 -1.51 0.00 0.00 72.50 69.01 1ir1 s THR 67 CO 0.44 -0.53 1.17 -0.89 -2.21 0.00 0.00 174.62 172.60 1ir1 s THR 68 N -3.99 3.57 -0.03 5.08 2.01 -0.81 -5.00 115.64 116.47 1ir1 s THR 68 Ca 0.22 1.36 0.07 0.00 0.31 0.00 0.00 61.69 63.66 1ir1 s THR 68 Cb 0.07 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1ir1 s THR 68 CO 0.01 0.24 -0.25 0.68 -0.69 0.00 0.00 174.62 174.61 1ir1 s VAL 69 N -0.27 1.96 0.39 3.82 -7.23 -1.26 -4.58 120.40 113.23 1ir1 s VAL 69 Ca 0.51 -1.05 0.22 0.00 -1.81 0.00 0.00 61.98 59.85 1ir1 s VAL 69 Cb -0.32 -1.63 0.23 0.00 0.56 0.00 0.00 36.38 35.22 1ir1 s VAL 69 CO 0.38 0.55 1.99 4.11 -0.31 0.00 0.00 175.10 181.82 1ir1 h TRP 70 N 5.65 0.00 0.00 2.82 5.08 -1.97 -3.08 115.95 124.45 1ir1 h TRP 70 Ca -0.40 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.57 1ir1 h TRP 70 Cb 1.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.30 1ir1 h TRP 70 CO 0.40 0.19 0.00 1.79 -1.28 0.00 0.00 178.44 179.54 1ir1 h THR 71 N 0.00 0.00 -0.53 0.12 1.35 -2.03 -2.25 112.91 109.56 1ir1 h THR 71 Ca -0.00 -0.01 0.02 0.00 -0.55 0.00 0.00 66.41 65.86 1ir1 h THR 71 Cb 0.43 0.72 -0.03 0.00 -1.73 0.00 0.00 68.15 67.53 1ir1 h THR 71 CO 0.02 0.00 0.35 0.44 -0.25 0.00 0.00 175.52 176.09 1ir1 h ASP 72 N 0.00 0.58 0.38 5.36 5.19 -1.91 -1.75 116.42 124.27 1ir1 h ASP 72 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1ir1 h ASP 72 Cb 0.01 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.38 1ir1 h ASP 72 CO 0.00 0.41 0.00 0.61 -3.12 0.00 0.00 179.24 177.14 1ir1 n GLY 73 N -1.46 -0.87 0.14 2.75 0.00 -0.85 -2.44 105.19 102.45 1ir1 n GLY 73 Ca 0.05 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1ir1 n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ir1 h LEU 74 N 0.00 0.00 0.00 0.99 3.38 -1.51 -3.47 115.31 114.70 1ir1 h LEU 74 Ca 0.00 -0.05 -0.39 0.00 0.09 0.00 0.00 57.88 57.53 1ir1 h LEU 74 Cb 0.19 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 1ir1 h LEU 74 CO 0.00 0.02 -0.32 1.07 0.09 0.00 0.00 178.44 179.31 1ir1 n THR 75 N -2.60 0.00 -3.52 0.22 5.66 -1.02 -5.10 114.28 107.92 1ir1 n THR 75 Ca 0.03 -1.62 -0.42 0.00 -3.05 0.00 0.00 64.05 58.99 1ir1 n THR 75 Cb 0.49 0.54 -0.06 0.00 -1.55 0.00 0.00 70.33 69.75 1ir1 n THR 75 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1ir1 s ASN 76 N -2.74 5.97 0.58 1.09 3.84 -1.26 -4.93 114.94 117.50 1ir1 s ASN 76 Ca 0.12 -2.64 0.28 0.00 0.21 0.00 0.00 52.86 50.83 1ir1 s ASN 76 Cb 0.01 -2.04 1.74 0.00 -0.55 0.00 0.00 41.25 40.41 1ir1 s ASN 76 CO 0.08 -0.51 2.23 0.25 -2.79 0.00 0.00 177.10 176.36 1ir1 h LEU 77 N 7.57 0.00 -1.51 3.21 5.85 -1.99 -2.37 115.31 126.08 1ir1 h LEU 77 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1ir1 h LEU 77 Cb 1.01 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1ir1 h LEU 77 CO 0.76 0.00 -0.12 0.44 -0.34 0.00 0.00 178.44 179.17 1ir1 h ASP 78 N 0.00 0.15 0.54 1.25 3.32 -1.95 0.61 116.42 120.34 1ir1 h ASP 78 Ca 0.01 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1ir1 h ASP 78 Cb 0.06 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1ir1 h ASP 78 CO -0.00 0.30 -0.49 -2.11 -1.72 0.00 0.00 179.24 175.22 1ir1 n ARG 79 N -4.31 0.02 -0.04 3.56 1.85 -0.89 -4.35 116.66 112.50 1ir1 n ARG 79 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.82 1ir1 n ARG 79 Cb 0.24 -1.51 -0.07 0.00 -1.05 0.00 0.00 32.46 30.08 1ir1 n ARG 79 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1ir1 n TYR 80 N -1.54 0.00 -1.85 2.89 4.01 -0.99 -4.82 117.16 114.86 1ir1 n TYR 80 Ca 0.05 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.40 1ir1 n TYR 80 Cb 0.34 -0.39 0.02 0.00 -0.31 0.00 0.00 39.34 39.01 1ir1 n TYR 80 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1ir1 s LYS 81 N -2.28 3.52 0.49 -0.72 -2.85 0.17 -4.61 119.74 113.47 1ir1 s LYS 81 Ca -0.04 2.28 -0.12 0.00 -1.00 0.00 0.00 55.97 57.09 1ir1 s LYS 81 Cb 0.03 -2.51 -0.06 0.00 -2.06 0.00 0.00 37.83 33.23 1ir1 s LYS 81 CO 0.35 -0.90 0.89 0.20 0.10 0.00 0.00 175.35 176.00 1ir1 s GLY 82 N -0.75 1.85 -0.14 0.59 0.00 -1.26 -4.59 107.32 103.02 1ir1 s GLY 82 Ca 0.64 -0.12 -0.11 0.00 0.00 0.00 0.00 44.72 45.14 1ir1 s GLY 82 CO 0.51 0.11 0.35 1.09 0.00 0.00 0.00 173.10 175.16 1ir1 s ARG 83 N -4.33 0.38 -0.40 2.90 1.70 -0.41 -4.63 118.95 114.15 1ir1 s ARG 83 Ca 0.54 0.57 -0.26 0.00 -0.47 0.00 0.00 55.73 56.10 1ir1 s ARG 83 Cb -0.10 0.11 0.02 0.00 -0.57 0.00 0.00 34.95 34.40 1ir1 s ARG 83 CO 0.38 -0.09 0.96 0.00 -1.08 0.00 0.00 175.30 175.47 1ir1 n TYR 85 N 7.02 0.00 -3.61 0.00 4.11 -0.41 -0.87 117.16 123.40 1ir1 n TYR 85 Ca 0.08 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.82 1ir1 n TYR 85 Cb 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.75 1ir1 n TYR 85 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1ir1 s HIS 86 N -1.84 -0.69 -0.02 -3.48 5.04 -1.23 -4.21 115.29 108.86 1ir1 s HIS 86 Ca 0.09 1.52 0.00 0.00 -1.54 0.00 0.00 55.06 55.13 1ir1 s HIS 86 Cb 0.10 0.30 0.03 0.00 0.04 0.00 0.00 32.58 33.05 1ir1 s HIS 86 CO 0.40 -0.44 0.02 0.42 -2.34 0.00 0.00 174.74 172.80 1ir1 s ILE 87 N -0.22 0.03 0.01 0.89 1.01 -1.26 -0.68 121.20 120.98 1ir1 s ILE 87 Ca -0.04 0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1ir1 s ILE 87 Cb -0.03 -0.14 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 1ir1 s ILE 87 CO 0.04 0.10 -0.06 -1.83 0.00 0.00 0.00 174.94 173.19 1ir1 s GLU 88 N 0.95 0.45 0.70 2.79 -1.05 -0.79 -4.99 118.70 116.76 1ir1 s GLU 88 Ca -0.08 -0.39 -0.13 0.00 -0.15 0.00 0.00 54.97 54.21 1ir1 s GLU 88 Cb -0.12 -0.35 0.02 0.00 -0.44 0.00 0.00 34.13 33.24 1ir1 s GLU 88 CO -0.02 0.09 1.10 -2.14 0.95 0.00 0.00 175.26 175.23 1ir1 s PRO 89 N -0.66 2.64 -0.21 -4.83 0.02 -1.26 -0.36 135.00 130.35 1ir1 s PRO 89 Ca -0.03 1.28 -0.10 0.00 0.02 0.00 0.00 61.00 62.18 1ir1 s PRO 89 Cb -0.05 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 1ir1 s PRO 89 CO 0.00 -1.36 0.13 0.08 -0.33 0.00 0.00 177.00 175.52 1ir1 s VAL 90 N -2.58 5.36 0.19 3.83 1.01 -0.76 -4.73 120.40 122.71 1ir1 s VAL 90 Ca 0.64 0.17 -0.32 0.00 0.00 0.00 0.00 61.98 62.48 1ir1 s VAL 90 Cb -0.19 -3.45 -0.11 0.00 0.00 0.00 0.00 36.38 32.63 1ir1 s VAL 90 CO 0.47 0.42 1.64 0.00 0.00 0.00 0.00 175.10 177.64 1ir1 s ALA 91 N 0.49 3.86 0.00 5.51 0.00 -1.26 -2.93 121.76 127.43 1ir1 s ALA 91 Ca 0.08 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1ir1 s ALA 91 Cb -0.12 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1ir1 s ALA 91 CO -0.01 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.31 1ir1 n GLY 92 N 3.86 1.10 3.82 0.00 0.00 -1.26 -4.98 105.19 107.72 1ir1 n GLY 92 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1ir1 n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ir1 s GLU 93 N -0.23 3.57 -0.07 1.61 2.56 -1.15 -5.07 118.70 119.91 1ir1 s GLU 93 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 54.97 54.51 1ir1 s GLU 93 Cb 0.00 -3.20 -0.02 0.00 2.00 0.00 0.00 34.13 32.91 1ir1 s GLU 93 CO 0.00 0.65 0.90 -2.00 -0.56 0.00 0.00 175.26 174.25 1ir1 s GLU 94 N -0.67 4.45 -1.40 4.30 2.12 -1.26 -4.14 118.70 122.11 1ir1 s GLU 94 Ca 0.13 1.23 -0.03 0.00 0.36 0.00 0.00 54.97 56.66 1ir1 s GLU 94 Cb -0.12 -3.50 0.02 0.00 0.26 0.00 0.00 34.13 30.79 1ir1 s GLU 94 CO 0.02 -0.15 0.65 -1.71 -0.54 0.00 0.00 175.26 173.54 1ir1 n ASN 95 N 4.40 -1.51 -4.02 -1.70 5.15 -1.26 -4.99 115.26 111.32 1ir1 n ASN 95 Ca 0.05 -0.89 -0.21 0.00 -0.60 0.00 0.00 54.58 52.93 1ir1 n ASN 95 Cb 0.50 -3.62 -0.15 0.00 -0.53 0.00 0.00 39.78 35.98 1ir1 n ASN 95 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1ir1 s GLN 96 N -6.32 1.01 0.08 1.20 0.74 -1.26 -3.96 119.66 111.14 1ir1 s GLN 96 Ca 0.14 -0.35 -0.00 0.00 0.05 0.00 0.00 55.36 55.20 1ir1 s GLN 96 Cb -0.07 -0.94 -0.04 0.00 1.10 0.00 0.00 33.01 33.06 1ir1 s GLN 96 CO 0.85 0.15 -0.03 0.71 -0.55 0.00 0.00 175.29 176.41 1ir1 s TYR 97 N 0.09 0.68 -0.30 1.67 1.51 -0.17 -1.83 117.35 119.00 1ir1 s TYR 97 Ca -0.02 -1.04 -0.08 0.00 -1.01 0.00 0.00 57.07 54.93 1ir1 s TYR 97 Cb -0.08 -0.45 0.00 0.00 -0.11 0.00 0.00 41.96 41.33 1ir1 s TYR 97 CO 0.00 -0.32 0.10 0.42 -1.11 0.00 0.00 175.55 174.64 1ir1 s ILE 98 N -3.84 4.17 -0.19 2.71 -1.09 0.51 0.38 121.20 123.85 1ir1 s ILE 98 Ca 0.11 -0.58 -0.05 0.00 -2.23 0.00 0.00 60.65 57.90 1ir1 s ILE 98 Cb 0.07 -3.13 -0.03 0.00 -1.58 0.00 0.00 42.46 37.80 1ir1 s ILE 98 CO -0.07 0.10 0.00 0.00 -1.23 0.00 0.00 174.94 173.74 1ir1 s TYR 100 N 0.85 3.40 -0.05 0.00 1.51 0.15 -1.44 117.35 121.77 1ir1 s TYR 100 Ca 0.01 0.60 0.05 0.00 -1.01 0.00 0.00 57.07 56.72 1ir1 s TYR 100 Cb -0.14 -2.46 -0.01 0.00 -0.11 0.00 0.00 41.96 39.24 1ir1 s TYR 100 CO 0.02 0.07 -0.20 0.08 -1.11 0.00 0.00 175.55 174.41 1ir1 s VAL 101 N 1.03 1.67 -0.11 0.71 1.01 -0.27 -1.28 120.40 123.16 1ir1 s VAL 101 Ca 0.18 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1ir1 s VAL 101 Cb -0.14 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1ir1 s VAL 101 CO 0.07 0.47 -0.05 0.00 0.00 0.00 0.00 175.10 175.59 1ir1 s ALA 102 N -0.03 3.00 -0.14 5.51 0.00 0.06 -0.56 121.76 129.61 1ir1 s ALA 102 Ca -0.04 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1ir1 s ALA 102 Cb -0.12 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.61 1ir1 s ALA 102 CO 0.03 0.40 -0.20 0.71 0.00 0.00 0.00 175.76 176.70 1ir1 s TYR 103 N -0.25 2.55 0.58 0.00 2.02 0.56 -1.29 117.35 121.51 1ir1 s TYR 103 Ca 0.04 -1.33 -0.21 0.00 -0.37 0.00 0.00 57.07 55.21 1ir1 s TYR 103 Cb -0.13 -1.76 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 1ir1 s TYR 103 CO 0.02 -0.63 1.35 -2.30 -1.57 0.00 0.00 175.55 172.42 1ir1 n PRO 104 N 4.23 1.53 -0.22 -1.71 -0.02 -1.26 -0.45 135.00 137.08 1ir1 n PRO 104 Ca -0.20 0.57 0.08 0.00 -2.02 0.00 0.00 63.50 61.93 1ir1 n PRO 104 Cb 0.51 -2.57 0.35 0.00 -0.02 0.00 0.00 33.50 31.77 1ir1 n PRO 104 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1ir1 h LEU 105 N 1.16 0.68 -1.84 2.45 5.85 -1.93 -2.54 115.31 119.14 1ir1 h LEU 105 Ca -0.51 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1ir1 h LEU 105 Cb 1.31 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1ir1 h LEU 105 CO 0.56 0.41 0.04 0.44 -0.34 0.00 0.00 178.44 179.54 1ir1 h ASP 106 N 0.76 0.00 1.18 1.25 5.19 -1.91 -2.73 116.42 120.16 1ir1 h ASP 106 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 1ir1 h ASP 106 Cb 0.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1ir1 h ASP 106 CO -0.14 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.16 1ir1 n LEU 107 N -2.49 0.54 -4.63 1.55 4.77 -0.96 -4.88 117.00 110.90 1ir1 n LEU 107 Ca -0.02 0.57 -0.33 0.00 -0.03 0.00 0.00 56.01 56.20 1ir1 n LEU 107 Cb 0.08 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 40.66 1ir1 n LEU 107 CO 0.12 -0.20 -0.35 -0.36 -1.33 0.00 0.00 177.39 175.27 1ir1 s PHE 108 N -3.10 2.99 -0.00 -1.77 0.08 -1.03 -5.02 117.98 110.12 1ir1 s PHE 108 Ca 0.10 0.04 -0.30 0.00 0.12 0.00 0.00 56.93 56.90 1ir1 s PHE 108 Cb 0.13 -1.67 -0.03 0.00 -0.57 0.00 0.00 43.02 40.88 1ir1 s PHE 108 CO 0.53 0.41 0.97 -2.00 -0.10 0.00 0.00 175.22 175.03 1ir1 s GLU 109 N -1.30 4.55 0.21 0.44 2.12 -1.26 -4.98 118.70 118.48 1ir1 s GLU 109 Ca 0.17 1.40 -0.32 0.00 0.36 0.00 0.00 54.97 56.58 1ir1 s GLU 109 Cb -0.11 -3.46 -0.14 0.00 0.26 0.00 0.00 34.13 30.68 1ir1 s GLU 109 CO 0.07 -0.05 1.47 0.39 -0.54 0.00 0.00 175.26 176.60 1ir1 n GLU 110 N 3.91 2.08 -1.37 4.30 4.71 -1.26 -2.52 120.64 130.49 1ir1 n GLU 110 Ca 0.06 0.74 -0.13 0.00 -0.01 0.00 0.00 57.16 57.82 1ir1 n GLU 110 Cb 0.51 -2.44 -0.05 0.00 -1.01 0.00 0.00 31.44 28.44 1ir1 n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ir1 n GLY 111 N 2.56 1.31 2.98 0.62 0.00 -1.20 -4.98 105.19 106.49 1ir1 n GLY 111 Ca 0.13 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1ir1 n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ir1 s SER 112 N -2.67 4.60 0.32 1.61 0.15 -1.05 -4.93 113.70 111.74 1ir1 s SER 112 Ca 0.00 -1.97 0.05 0.00 0.70 0.00 0.00 55.95 54.73 1ir1 s SER 112 Cb 0.00 -1.50 0.56 0.00 -1.71 0.00 0.00 66.02 63.36 1ir1 s SER 112 CO 0.00 -0.36 1.81 0.58 1.20 0.00 0.00 173.24 176.48 1ir1 h VAL 113 N 6.61 1.23 -0.51 4.45 2.07 -1.94 -2.40 116.25 125.77 1ir1 h VAL 113 Ca -0.07 -1.01 0.07 0.00 0.82 0.00 0.00 66.70 66.50 1ir1 h VAL 113 Cb 1.02 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 1ir1 h VAL 113 CO 0.50 0.33 0.18 0.74 0.02 0.00 0.00 177.57 179.34 1ir1 h THR 114 N 0.40 0.83 -0.44 2.57 2.02 -1.91 -1.46 112.91 114.92 1ir1 h THR 114 Ca 0.07 -0.12 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 1ir1 h THR 114 Cb 0.49 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1ir1 h THR 114 CO 0.03 0.07 -0.16 -1.13 0.37 0.00 0.00 175.52 174.69 1ir1 h ASN 115 N 0.36 0.90 -0.52 4.18 -0.73 -1.82 -1.98 115.58 115.97 1ir1 h ASN 115 Ca 0.24 -0.38 0.04 0.00 1.87 0.00 0.00 56.30 58.07 1ir1 h ASN 115 Cb 0.26 -0.25 -0.04 0.00 0.27 0.00 0.00 38.32 38.56 1ir1 h ASN 115 CO -0.25 1.08 0.27 -0.03 -0.37 0.00 0.00 177.43 178.14 1ir1 h MET 116 N 0.71 0.51 -0.08 6.67 4.05 -0.95 -2.57 114.93 123.28 1ir1 h MET 116 Ca 0.10 -0.03 -0.17 0.00 -0.28 0.00 0.00 59.70 59.32 1ir1 h MET 116 Cb 0.72 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 1ir1 h MET 116 CO 0.05 0.34 -0.69 0.74 0.23 0.00 0.00 176.91 177.58 1ir1 h PHE 117 N 0.53 0.48 -1.01 1.39 0.04 -1.25 -2.86 116.94 114.26 1ir1 h PHE 117 Ca 0.23 -0.20 0.13 0.00 2.80 0.00 0.00 57.97 60.93 1ir1 h PHE 117 Cb 0.13 -0.08 -0.09 0.00 2.20 0.00 0.00 35.95 38.11 1ir1 h PHE 117 CO -0.10 0.94 0.63 1.15 -0.60 0.00 0.00 178.31 180.33 1ir1 h THR 118 N 0.25 0.88 0.12 -1.55 2.02 -0.95 0.26 112.91 113.94 1ir1 h THR 118 Ca -0.02 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1ir1 h THR 118 Cb 1.25 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1ir1 h THR 118 CO 0.12 0.17 -0.06 0.28 0.37 0.00 0.00 175.52 176.40 1ir1 h SER 119 N 0.96 -0.13 -0.76 4.18 0.02 -1.51 -2.52 113.55 113.79 1ir1 h SER 119 Ca 0.51 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.52 1ir1 h SER 119 Cb 0.56 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.09 1ir1 h SER 119 CO -0.28 0.23 0.50 0.40 -1.14 0.00 0.00 176.83 176.53 1ir1 h ILE 120 N -0.80 1.06 0.00 3.27 2.04 -1.44 -3.23 117.51 118.40 1ir1 h ILE 120 Ca -0.02 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1ir1 h ILE 120 Cb 0.12 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1ir1 h ILE 120 CO 0.03 0.15 -0.16 1.33 0.00 0.00 0.00 178.15 179.50 1ir1 n VAL 121 N -4.47 1.10 0.39 1.67 0.24 0.07 -4.86 118.33 112.46 1ir1 n VAL 121 Ca 0.11 -1.30 -0.17 0.00 -2.04 0.00 0.00 64.34 60.93 1ir1 n VAL 121 Cb 0.19 0.14 -0.09 0.00 -1.47 0.00 0.00 33.84 32.61 1ir1 n VAL 121 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1ir1 h GLY 122 N 0.00 -1.03 0.00 7.63 0.00 -1.32 -3.43 103.07 104.92 1ir1 h GLY 122 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1ir1 h GLY 122 CO 0.00 -0.38 -0.79 0.70 0.00 0.00 0.00 176.54 176.08 1ir1 n ASN 123 N -5.47 3.94 0.32 0.19 3.02 -1.26 -4.84 115.26 111.16 1ir1 n ASN 123 Ca -0.14 -0.01 0.20 0.00 -0.03 0.00 0.00 54.58 54.61 1ir1 n ASN 123 Cb 0.41 0.81 1.07 0.00 -0.61 0.00 0.00 39.78 41.46 1ir1 n ASN 123 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1ir1 h VAL 124 N 0.00 0.14 0.00 2.41 -1.51 -1.83 -2.70 116.25 112.76 1ir1 h VAL 124 Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1ir1 h VAL 124 Cb 0.00 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.24 1ir1 h VAL 124 CO 0.00 0.01 0.00 0.49 -1.23 0.00 0.00 177.57 176.84 1ir1 n PHE 125 N -3.26 0.57 0.61 5.19 3.01 -1.26 -3.15 117.46 119.17 1ir1 n PHE 125 Ca -0.03 0.20 0.11 0.00 1.01 0.00 0.00 57.45 58.74 1ir1 n PHE 125 Cb 0.11 -0.83 0.14 0.00 -0.01 0.00 0.00 39.48 38.90 1ir1 n PHE 125 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ir1 n GLY 126 N 0.49 1.18 3.71 1.37 0.00 -1.02 -4.82 105.19 106.10 1ir1 n GLY 126 Ca 0.04 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 1ir1 n GLY 126 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ir1 n PHE 127 N 1.28 2.61 0.17 1.61 3.01 -1.19 -4.88 117.46 120.07 1ir1 n PHE 127 Ca 0.15 0.19 0.06 0.00 1.01 0.00 0.00 57.45 58.86 1ir1 n PHE 127 Cb 0.56 -2.60 0.53 0.00 -0.01 0.00 0.00 39.48 37.95 1ir1 n PHE 127 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1ir1 h LYS 128 N 5.75 0.18 0.00 -1.08 1.57 -1.94 -2.30 116.57 118.74 1ir1 h LYS 128 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1ir1 h LYS 128 Cb 1.23 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1ir1 h LYS 128 CO 0.87 0.17 0.00 0.00 -0.57 0.00 0.00 179.45 179.93 1ir1 n ALA 129 N -2.51 1.88 -2.37 3.86 0.00 -1.26 -4.71 120.51 115.40 1ir1 n ALA 129 Ca -0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 1ir1 n ALA 129 Cb 0.13 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.19 1ir1 n ALA 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ir1 s LEU 130 N -2.51 2.26 -0.07 0.00 1.43 -0.87 -1.79 118.68 117.13 1ir1 s LEU 130 Ca 0.15 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1ir1 s LEU 130 Cb 0.10 -1.33 -0.26 0.00 0.03 0.00 0.00 46.19 44.73 1ir1 s LEU 130 CO 0.23 0.26 0.57 0.03 0.23 0.00 0.00 176.35 177.66 1ir1 h ARG 131 N 4.73 0.20 -2.82 1.70 3.08 -0.72 -3.45 114.38 117.11 1ir1 h ARG 131 Ca -0.47 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.24 1ir1 h ARG 131 Cb 1.14 0.13 -0.13 0.00 0.08 0.00 0.00 29.97 31.19 1ir1 h ARG 131 CO 0.44 1.01 0.25 0.00 -1.07 0.00 0.00 179.97 180.61 1ir1 s ALA 132 N -2.58 -1.65 -0.18 0.04 0.00 -1.10 -5.04 121.76 111.25 1ir1 s ALA 132 Ca -0.14 0.63 -0.16 0.00 0.00 0.00 0.00 51.96 52.29 1ir1 s ALA 132 Cb 0.07 0.75 0.05 0.00 0.00 0.00 0.00 23.12 23.99 1ir1 s ALA 132 CO 0.81 -0.73 0.47 -1.17 0.00 0.00 0.00 175.76 175.14 1ir1 s LEU 133 N -2.60 0.14 -0.04 0.00 2.96 -1.20 -1.92 118.68 116.02 1ir1 s LEU 133 Ca 0.01 0.96 -0.01 0.00 -0.22 0.00 0.00 54.13 54.87 1ir1 s LEU 133 Cb -0.01 1.62 0.03 0.00 0.50 0.00 0.00 46.19 48.33 1ir1 s LEU 133 CO -0.11 -0.17 0.08 -0.60 -1.32 0.00 0.00 176.35 174.23 1ir1 s ARG 134 N 0.37 0.02 -0.35 1.98 3.52 -0.77 -1.37 118.95 122.35 1ir1 s ARG 134 Ca -0.01 0.25 -0.23 0.00 -0.13 0.00 0.00 55.73 55.62 1ir1 s ARG 134 Cb -0.04 -0.20 0.01 0.00 -1.56 0.00 0.00 34.95 33.16 1ir1 s ARG 134 CO -0.01 -0.15 0.75 -1.17 -0.81 0.00 0.00 175.30 173.91 1ir1 s LEU 135 N 1.03 4.15 -0.09 -0.88 2.96 -0.41 0.13 118.68 125.57 1ir1 s LEU 135 Ca -0.08 0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 54.11 1ir1 s LEU 135 Cb -0.11 -2.98 -0.28 0.00 0.50 0.00 0.00 46.19 43.32 1ir1 s LEU 135 CO -0.04 -0.67 0.51 -0.33 -1.32 0.00 0.00 176.35 174.50 1ir1 h GLU 136 N 8.40 0.33 -3.24 1.98 4.39 -1.24 -1.39 114.58 123.81 1ir1 h GLU 136 Ca -0.25 -0.56 0.02 0.00 0.34 0.00 0.00 59.36 58.90 1ir1 h GLU 136 Cb 1.10 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 29.89 1ir1 h GLU 136 CO 0.89 1.27 0.10 0.34 -1.16 0.00 0.00 179.01 180.44 1ir1 s ASP 137 N -7.17 -0.21 -0.11 1.42 -1.08 -1.21 -4.62 116.67 103.69 1ir1 s ASP 137 Ca -0.19 -0.69 -0.06 0.00 -0.52 0.00 0.00 52.55 51.09 1ir1 s ASP 137 Cb 0.06 0.67 0.05 0.00 -1.46 0.00 0.00 42.92 42.23 1ir1 s ASP 137 CO 0.81 -1.25 0.27 -0.22 0.52 0.00 0.00 175.17 175.30 1ir1 s LEU 138 N -2.94 0.43 -0.47 -1.34 2.96 -1.26 -2.05 118.68 114.01 1ir1 s LEU 138 Ca 0.14 0.57 -0.16 0.00 -0.22 0.00 0.00 54.13 54.46 1ir1 s LEU 138 Cb -0.04 0.82 0.07 0.00 0.50 0.00 0.00 46.19 47.55 1ir1 s LEU 138 CO 0.06 -0.16 0.40 -0.60 -1.32 0.00 0.00 176.35 174.74 1ir1 s ARG 139 N 1.13 2.99 -0.34 1.98 3.00 0.13 -4.95 118.95 122.89 1ir1 s ARG 139 Ca -0.08 -1.31 -0.22 0.00 -1.00 0.00 0.00 55.73 53.12 1ir1 s ARG 139 Cb -0.09 -4.12 0.00 0.00 0.00 0.00 0.00 34.95 30.74 1ir1 s ARG 139 CO -0.08 -1.02 0.71 0.42 0.00 0.00 0.00 175.30 175.33 1ir1 s ILE 140 N 1.69 4.83 0.57 4.11 -1.09 -1.26 -2.04 121.20 128.00 1ir1 s ILE 140 Ca 0.05 0.84 -0.20 0.00 -2.23 0.00 0.00 60.65 59.11 1ir1 s ILE 140 Cb -0.24 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 1ir1 s ILE 140 CO 0.07 -0.31 1.24 -2.16 -1.23 0.00 0.00 174.94 172.55 1ir1 s PRO 141 N 2.86 3.08 0.48 2.79 0.04 -1.26 -4.72 135.00 138.28 1ir1 s PRO 141 Ca 0.28 1.93 0.14 0.00 0.04 0.00 0.00 61.00 63.38 1ir1 s PRO 141 Cb -0.14 -2.06 1.13 0.00 0.04 0.00 0.00 34.50 33.48 1ir1 s PRO 141 CO 0.14 -1.14 2.10 -0.39 0.04 0.00 0.00 177.00 177.76 1ir1 h VAL 142 N 1.12 1.01 0.00 -0.36 -1.51 -1.85 -0.95 116.25 113.72 1ir1 h VAL 142 Ca -0.50 -0.07 -0.05 0.00 -1.23 0.00 0.00 66.70 64.85 1ir1 h VAL 142 Cb 1.29 0.80 -0.01 0.00 -2.13 0.00 0.00 31.29 31.24 1ir1 h VAL 142 CO 0.56 0.04 -0.22 0.00 -1.23 0.00 0.00 177.57 176.72 1ir1 h ALA 143 N 1.89 1.51 0.12 5.19 0.00 -1.91 -2.23 119.26 123.83 1ir1 h ALA 143 Ca 0.08 -0.20 -0.33 0.00 0.00 0.00 0.00 54.91 54.46 1ir1 h ALA 143 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ir1 h ALA 143 CO -0.01 0.27 -1.70 -0.92 0.00 0.00 0.00 179.25 176.89 1ir1 h TYR 144 N 0.00 0.47 -0.99 0.00 3.20 -1.58 -3.34 116.97 114.72 1ir1 h TYR 144 Ca -0.00 -0.34 0.10 0.00 3.14 0.00 0.00 58.73 61.62 1ir1 h TYR 144 Cb 0.42 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.59 1ir1 h TYR 144 CO 0.00 1.49 0.63 0.28 -1.64 0.00 0.00 178.16 178.92 1ir1 h VAL 145 N 0.07 0.99 0.00 1.81 2.07 -0.92 -1.52 116.25 118.74 1ir1 h VAL 145 Ca -0.31 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1ir1 h VAL 145 Cb 2.04 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1ir1 h VAL 145 CO 0.14 0.19 0.00 0.29 0.02 0.00 0.00 177.57 178.21 1ir1 n LYS 146 N -4.56 0.09 -0.01 1.57 4.76 -0.87 -2.02 118.16 117.11 1ir1 n LYS 146 Ca 0.17 0.25 0.14 0.00 -2.87 0.00 0.00 58.31 56.00 1ir1 n LYS 146 Cb 0.29 -1.50 0.52 0.00 -1.84 0.00 0.00 35.03 32.50 1ir1 n LYS 146 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1ir1 n THR 147 N -1.38 0.02 -4.18 -0.18 -2.24 -0.57 -4.88 114.28 100.87 1ir1 n THR 147 Ca 0.04 -0.25 -0.30 0.00 -2.27 0.00 0.00 64.05 61.27 1ir1 n THR 147 Cb 0.10 0.46 -0.09 0.00 -2.10 0.00 0.00 70.33 68.70 1ir1 n THR 147 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1ir1 s PHE 148 N -1.98 2.85 0.10 4.78 0.40 -0.86 -3.23 117.98 120.04 1ir1 s PHE 148 Ca 0.38 -0.10 -0.13 0.00 -0.60 0.00 0.00 56.93 56.48 1ir1 s PHE 148 Cb 0.21 -1.48 -0.17 0.00 0.51 0.00 0.00 43.02 42.09 1ir1 s PHE 148 CO 0.33 0.45 1.27 0.37 0.70 0.00 0.00 175.22 178.35 1ir1 h GLN 149 N 3.51 0.76 0.00 0.44 4.15 -1.87 -3.50 115.11 118.60 1ir1 h GLN 149 Ca -0.48 -0.68 0.00 0.00 0.77 0.00 0.00 58.65 58.26 1ir1 h GLN 149 Cb 1.17 0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.02 1ir1 h GLN 149 CO 0.56 1.27 0.00 0.41 -1.93 0.00 0.00 178.83 179.14 1ir1 n GLY 150 N 0.82 -1.68 3.68 2.39 0.00 -1.01 -4.88 105.19 104.52 1ir1 n GLY 150 Ca -0.09 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 1ir1 n GLY 150 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ir1 n PRO 151 N 0.00 2.02 0.04 1.61 -0.02 -1.23 -4.18 135.00 133.23 1ir1 n PRO 151 Ca 0.00 0.71 0.09 0.00 -2.02 0.00 0.00 63.50 62.27 1ir1 n PRO 151 Cb 0.00 -2.26 0.52 0.00 -0.02 0.00 0.00 33.50 31.74 1ir1 n PRO 151 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ir1 h PRO 152 N 2.59 0.32 0.00 0.52 0.11 -1.83 -3.41 132.00 130.30 1ir1 h PRO 152 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ir1 h PRO 152 Cb 1.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ir1 h PRO 152 CO 0.63 0.21 -0.03 0.72 -0.21 0.00 0.00 178.00 179.32 1ir1 n HIS 153 N -4.48 -1.65 0.00 0.65 8.25 -1.26 -4.74 115.22 111.99 1ir1 n HIS 153 Ca 0.04 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1ir1 n HIS 153 Cb 0.20 0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.73 1ir1 n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ir1 n GLY 154 N 2.08 0.94 0.40 -1.41 0.00 -1.26 -4.46 105.19 101.49 1ir1 n GLY 154 Ca 0.00 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.02 1ir1 n GLY 154 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ir1 h ILE 155 N 0.00 0.11 0.15 -0.61 2.04 -1.78 -0.77 117.51 116.66 1ir1 h ILE 155 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1ir1 h ILE 155 Cb 0.00 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.15 1ir1 h ILE 155 CO 0.00 0.00 -0.33 -0.61 0.00 0.00 0.00 178.15 177.21 1ir1 h GLN 156 N -0.39 -0.56 -0.78 2.37 4.15 -1.90 -1.89 115.11 116.11 1ir1 h GLN 156 Ca 0.11 0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 1ir1 h GLN 156 Cb 0.60 0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.38 1ir1 h GLN 156 CO -0.52 -0.37 0.42 0.28 -1.93 0.00 0.00 178.83 176.70 1ir1 h VAL 157 N -0.58 1.23 -0.20 2.39 2.07 -1.75 -1.95 116.25 117.46 1ir1 h VAL 157 Ca 0.02 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1ir1 h VAL 157 Cb 0.59 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1ir1 h VAL 157 CO -0.17 0.26 0.09 -0.08 0.02 0.00 0.00 177.57 177.69 1ir1 h GLU 158 N 1.10 0.30 -0.68 1.57 4.81 -0.88 -0.02 114.58 120.78 1ir1 h GLU 158 Ca 0.27 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1ir1 h GLU 158 Cb 0.04 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1ir1 h GLU 158 CO -0.04 0.34 0.35 0.00 -0.73 0.00 0.00 179.01 178.93 1ir1 h ARG 159 N 0.19 0.94 -0.23 1.92 3.08 -1.18 -1.56 114.38 117.54 1ir1 h ARG 159 Ca 0.07 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 1ir1 h ARG 159 Cb 0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1ir1 h ARG 159 CO -0.01 0.70 -0.41 -0.44 -1.07 0.00 0.00 179.97 178.75 1ir1 h ASP 160 N 0.95 0.58 -0.26 7.04 3.32 -0.95 0.20 116.42 127.29 1ir1 h ASP 160 Ca 0.24 -0.26 -0.17 0.00 0.02 0.00 0.00 57.03 56.86 1ir1 h ASP 160 Cb 0.05 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1ir1 h ASP 160 CO -0.04 0.92 -0.51 0.11 -1.72 0.00 0.00 179.24 178.00 1ir1 h LYS 161 N 0.45 0.81 0.00 3.56 1.79 -0.62 -3.23 116.57 119.33 1ir1 h LYS 161 Ca 0.04 -0.52 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1ir1 h LYS 161 Cb 0.90 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1ir1 h LYS 161 CO 0.08 1.15 -0.48 1.28 -1.08 0.00 0.00 179.45 180.40 1ir1 n LEU 162 N -4.08 0.59 -3.20 2.94 4.77 -0.62 -4.96 117.00 112.44 1ir1 n LEU 162 Ca -0.05 0.22 -0.18 0.00 -0.03 0.00 0.00 56.01 55.97 1ir1 n LEU 162 Cb 0.60 -0.24 0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1ir1 n LEU 162 CO 0.49 -0.01 0.16 -3.20 -1.33 0.00 0.00 177.39 173.50 1ir1 n ASN 163 N -1.90 -3.86 -4.03 -1.43 5.15 0.66 -4.65 115.26 105.19 1ir1 n ASN 163 Ca 0.04 -0.52 -0.29 0.00 -0.60 0.00 0.00 54.58 53.21 1ir1 n ASN 163 Cb 0.40 -4.56 -0.17 0.00 -0.53 0.00 0.00 39.78 34.92 1ir1 n ASN 163 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1ir1 s LYS 164 N -5.66 2.26 0.07 1.20 1.02 -0.90 -5.01 119.74 112.72 1ir1 s LYS 164 Ca 0.25 -0.55 -0.05 0.00 0.02 0.00 0.00 55.97 55.64 1ir1 s LYS 164 Cb -0.11 -2.02 -0.02 0.00 -0.52 0.00 0.00 37.83 35.16 1ir1 s LYS 164 CO 0.65 -0.17 0.07 0.71 -0.92 0.00 0.00 175.35 175.69 1ir1 s TYR 165 N 1.30 0.35 -0.00 3.18 2.02 -1.26 -4.70 117.35 118.24 1ir1 s TYR 165 Ca 0.01 -0.85 0.00 0.00 -0.37 0.00 0.00 57.07 55.86 1ir1 s TYR 165 Cb -0.14 -0.24 0.00 0.00 -0.40 0.00 0.00 41.96 41.19 1ir1 s TYR 165 CO -0.07 -0.46 0.00 0.41 -1.57 0.00 0.00 175.55 173.86 1ir1 n GLY 166 N 0.03 0.46 3.58 0.71 0.00 -1.26 -5.01 105.19 103.71 1ir1 n GLY 166 Ca -0.14 -0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 1ir1 n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ir1 s ARG 167 N -0.14 0.89 0.62 1.61 1.70 -1.26 -5.02 118.95 117.35 1ir1 s ARG 167 Ca 0.00 -0.39 -0.16 0.00 -0.47 0.00 0.00 55.73 54.70 1ir1 s ARG 167 Cb 0.00 0.37 -0.02 0.00 -0.57 0.00 0.00 34.95 34.73 1ir1 s ARG 167 CO 0.00 -0.40 1.10 -2.14 -1.08 0.00 0.00 175.30 172.79 1ir1 s PRO 168 N -3.11 3.03 0.46 3.89 0.02 -1.18 -4.76 135.00 133.35 1ir1 s PRO 168 Ca 0.08 1.40 -0.07 0.00 0.02 0.00 0.00 61.00 62.42 1ir1 s PRO 168 Cb -0.01 -1.98 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 1ir1 s PRO 168 CO -0.05 -1.07 0.79 -0.51 -0.33 0.00 0.00 177.00 175.82 1ir1 s LEU 169 N -4.55 3.68 -0.10 -5.54 1.43 -0.10 -4.92 118.68 108.58 1ir1 s LEU 169 Ca 0.68 1.02 0.04 0.00 -1.03 0.00 0.00 54.13 54.84 1ir1 s LEU 169 Cb -0.20 -3.96 -0.00 0.00 0.03 0.00 0.00 46.19 42.06 1ir1 s LEU 169 CO 0.37 -0.53 -0.23 -0.76 0.23 0.00 0.00 176.35 175.43 1ir1 s LEU 170 N -4.44 2.13 0.00 1.79 1.43 -1.26 -0.86 118.68 117.47 1ir1 s LEU 170 Ca 0.49 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1ir1 s LEU 170 Cb -0.10 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 1ir1 s LEU 170 CO 0.40 0.16 0.07 0.61 0.23 0.00 0.00 176.35 177.82 1ir1 n GLY 171 N 3.54 3.47 3.62 -3.19 0.00 -0.08 -1.25 105.19 111.30 1ir1 n GLY 171 Ca -0.19 -2.21 -0.03 0.00 0.00 0.00 0.00 46.02 43.60 1ir1 n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ir1 s THR 173 N 1.58 5.12 0.37 0.00 2.01 -1.26 -4.25 115.64 119.20 1ir1 s THR 173 Ca -0.08 1.13 -0.27 0.00 0.31 0.00 0.00 61.69 62.77 1ir1 s THR 173 Cb -0.04 -3.90 -0.09 0.00 0.01 0.00 0.00 72.50 68.47 1ir1 s THR 173 CO -0.16 0.26 1.22 -0.63 -0.69 0.00 0.00 174.62 174.62 1ir1 s ILE 174 N 0.92 2.99 0.13 1.82 -1.09 -1.26 -4.40 121.20 120.31 1ir1 s ILE 174 Ca 0.30 0.90 0.05 0.00 -2.23 0.00 0.00 60.65 59.67 1ir1 s ILE 174 Cb -0.16 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1ir1 s ILE 174 CO 0.12 0.15 -0.11 -0.54 -1.23 0.00 0.00 174.94 173.33 1ir1 s LYS 175 N -2.05 1.01 0.81 2.79 -0.14 -1.26 -4.37 119.74 116.53 1ir1 s LYS 175 Ca 0.53 -1.34 -0.13 0.00 -1.36 0.00 0.00 55.97 53.67 1ir1 s LYS 175 Cb -0.34 -0.67 0.09 0.00 -1.68 0.00 0.00 37.83 35.22 1ir1 s LYS 175 CO 0.44 0.10 1.19 -1.25 -0.76 0.00 0.00 175.35 175.07 1ir1 s PRO 176 N -3.29 1.65 0.18 -1.68 0.04 -1.26 -5.06 135.00 125.57 1ir1 s PRO 176 Ca 0.13 1.68 -0.22 0.00 0.04 0.00 0.00 61.00 62.62 1ir1 s PRO 176 Cb -0.00 -1.78 0.10 0.00 0.04 0.00 0.00 34.50 32.85 1ir1 s PRO 176 CO 0.01 -2.19 1.59 0.87 0.04 0.00 0.00 177.00 177.32 1ir1 h LYS 177 N -1.00 -0.18 -5.21 4.56 1.57 -1.99 -3.43 116.57 110.89 1ir1 h LYS 177 Ca -0.46 0.01 -0.39 0.00 -1.87 0.00 0.00 60.65 57.95 1ir1 h LYS 177 Cb 1.29 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 33.49 1ir1 h LYS 177 CO 0.46 -0.12 -0.69 -0.51 -0.57 0.00 0.00 179.45 178.02 1ir1 s LEU 178 N -10.66 2.39 0.00 2.94 1.43 -1.26 -4.74 118.68 108.77 1ir1 s LEU 178 Ca -0.14 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 51.83 1ir1 s LEU 178 Cb 0.15 -0.40 0.00 0.00 0.03 0.00 0.00 46.19 45.97 1ir1 s LEU 178 CO 0.69 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 177.49 1ir1 n GLY 179 N -0.37 2.26 3.84 -3.19 0.00 -1.26 -5.10 105.19 101.38 1ir1 n GLY 179 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1ir1 n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ir1 s LEU 180 N 0.00 4.14 0.72 0.99 1.43 -1.26 -5.02 118.68 119.67 1ir1 s LEU 180 Ca 0.00 1.30 -0.11 0.00 -1.03 0.00 0.00 54.13 54.29 1ir1 s LEU 180 Cb 0.00 -3.93 0.03 0.00 0.03 0.00 0.00 46.19 42.32 1ir1 s LEU 180 CO 0.00 -0.14 1.09 -0.94 0.23 0.00 0.00 176.35 176.60 1ir1 s SER 181 N -2.11 5.25 0.23 2.29 1.04 -1.26 -4.47 113.70 114.66 1ir1 s SER 181 Ca 0.51 1.00 -0.08 0.00 0.48 0.00 0.00 55.95 57.86 1ir1 s SER 181 Cb -0.12 -1.75 0.21 0.00 0.10 0.00 0.00 66.02 64.46 1ir1 s SER 181 CO 0.18 -1.44 1.89 0.00 0.98 0.00 0.00 173.24 174.85 1ir1 h ALA 182 N -0.69 1.08 -0.33 5.32 0.00 -1.93 -1.21 119.26 121.49 1ir1 h ALA 182 Ca -0.45 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.24 1ir1 h ALA 182 Cb 1.27 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ir1 h ALA 182 CO 0.64 0.43 -0.45 -0.22 0.00 0.00 0.00 179.25 179.65 1ir1 h LYS 183 N 1.10 0.87 0.00 0.00 3.64 -1.94 -2.57 116.57 117.68 1ir1 h LYS 183 Ca 0.32 -0.49 -0.07 0.00 -1.27 0.00 0.00 60.65 59.13 1ir1 h LYS 183 Cb -0.08 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1ir1 h LYS 183 CO -0.08 1.13 -0.35 -0.91 -2.27 0.00 0.00 179.45 176.96 1ir1 h ASN 184 N 0.69 0.00 -0.22 4.20 2.35 -1.90 -1.01 115.58 119.69 1ir1 h ASN 184 Ca 0.04 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1ir1 h ASN 184 Cb 1.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 1ir1 h ASN 184 CO 0.10 0.35 0.01 0.22 -1.65 0.00 0.00 177.43 176.47 1ir1 h TYR 185 N 0.00 0.42 -0.20 1.19 3.20 -1.05 -1.09 116.97 119.44 1ir1 h TYR 185 Ca -0.00 -0.07 -0.07 0.00 3.14 0.00 0.00 58.73 61.72 1ir1 h TYR 185 Cb 0.66 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1ir1 h TYR 185 CO 0.00 0.56 -0.20 0.78 -1.64 0.00 0.00 178.16 177.66 1ir1 h GLY 186 N 0.16 0.37 0.89 1.82 0.00 -1.15 -0.97 103.07 104.20 1ir1 h GLY 186 Ca 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1ir1 h GLY 186 CO 0.01 0.24 0.08 -0.09 0.00 0.00 0.00 176.54 176.78 1ir1 h ARG 187 N 0.31 0.32 -0.69 4.80 2.43 -0.95 -1.07 114.38 119.53 1ir1 h ARG 187 Ca 0.05 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1ir1 h ARG 187 Cb 0.53 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1ir1 h ARG 187 CO 0.04 0.39 0.20 0.00 -1.51 0.00 0.00 179.97 179.09 1ir1 h ALA 188 N 0.91 1.05 -0.05 2.80 0.00 -0.87 -2.79 119.26 120.32 1ir1 h ALA 188 Ca 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ir1 h ALA 188 Cb 0.20 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ir1 h ALA 188 CO -0.00 0.64 0.02 0.28 0.00 0.00 0.00 179.25 180.18 1ir1 h VAL 189 N 1.03 1.12 -0.29 0.00 2.07 -0.95 -2.02 116.25 117.21 1ir1 h VAL 189 Ca 0.22 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1ir1 h VAL 189 Cb 0.31 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1ir1 h VAL 189 CO -0.00 0.10 0.11 0.22 0.02 0.00 0.00 177.57 178.01 1ir1 h TYR 190 N -0.06 0.19 -0.94 1.57 3.20 -1.13 -1.18 116.97 118.63 1ir1 h TYR 190 Ca 0.02 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1ir1 h TYR 190 Cb 0.14 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 1ir1 h TYR 190 CO -0.03 0.09 0.62 0.93 -1.64 0.00 0.00 178.16 178.13 1ir1 h GLU 191 N 0.24 1.21 0.23 1.82 4.39 -1.44 -1.59 114.58 119.44 1ir1 h GLU 191 Ca 0.13 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1ir1 h GLU 191 Cb 0.09 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1ir1 h GLU 191 CO -0.12 0.80 -0.11 0.00 -1.16 0.00 0.00 179.01 178.42 1ir1 h LEU 193 N -0.58 0.85 -0.80 0.00 3.38 -1.11 -2.64 115.31 114.40 1ir1 h LEU 193 Ca -0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ir1 h LEU 193 Cb 0.43 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ir1 h LEU 193 CO 0.05 0.67 0.00 -2.11 0.09 0.00 0.00 178.44 177.14 1ir1 n ARG 194 N -4.38 0.20 0.00 1.13 1.85 -0.61 -2.67 116.66 112.18 1ir1 n ARG 194 Ca 0.07 0.45 0.14 0.00 -1.00 0.00 0.00 57.85 57.51 1ir1 n ARG 194 Cb 0.09 -1.90 0.56 0.00 -1.05 0.00 0.00 32.46 30.15 1ir1 n ARG 194 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ir1 n GLY 195 N -0.12 -0.30 0.00 2.89 0.00 -1.00 -4.92 105.19 101.74 1ir1 n GLY 195 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1ir1 n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ir1 n GLY 196 N 1.19 1.04 3.79 -0.02 0.00 -1.09 -2.10 105.19 108.00 1ir1 n GLY 196 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1ir1 n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ir1 s LEU 197 N 0.00 4.28 0.04 0.99 1.43 -1.25 -4.83 118.68 119.35 1ir1 s LEU 197 Ca 0.00 1.72 -0.00 0.00 -1.03 0.00 0.00 54.13 54.81 1ir1 s LEU 197 Cb 0.00 -4.00 -0.26 0.00 0.03 0.00 0.00 46.19 41.96 1ir1 s LEU 197 CO 0.00 -0.09 1.01 0.44 0.23 0.00 0.00 176.35 177.94 1ir1 h ASP 198 N 3.03 0.29 -5.05 2.29 3.32 -1.50 -3.43 116.42 115.36 1ir1 h ASP 198 Ca -0.47 -0.37 -0.15 0.00 0.02 0.00 0.00 57.03 56.06 1ir1 h ASP 198 Cb 1.19 -0.10 -0.15 0.00 0.22 0.00 0.00 39.33 40.49 1ir1 h ASP 198 CO 0.64 1.30 -0.69 -0.36 -1.72 0.00 0.00 179.24 178.42 1ir1 s PHE 199 N -2.64 0.62 0.00 4.55 0.08 -0.45 -1.93 117.98 118.21 1ir1 s PHE 199 Ca -0.05 -1.01 0.00 0.00 0.12 0.00 0.00 56.93 55.99 1ir1 s PHE 199 Cb 0.08 -0.42 0.00 0.00 -0.57 0.00 0.00 43.02 42.11 1ir1 s PHE 199 CO 0.85 -0.31 0.00 0.25 -0.10 0.00 0.00 175.22 175.91 1ir1 n THR 200 N 0.11 0.00 -3.76 0.64 -2.24 -1.04 -2.55 114.28 105.45 1ir1 n THR 200 Ca -0.14 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.30 1ir1 n THR 200 Cb 0.61 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.78 1ir1 n THR 200 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ir1 s ASP 202 N -0.55 6.50 0.83 3.42 1.01 -1.06 -1.64 116.67 125.18 1ir1 s ASP 202 Ca 0.00 0.57 -0.10 0.00 0.71 0.00 0.00 52.55 53.72 1ir1 s ASP 202 Cb 0.00 -2.09 0.09 0.00 1.01 0.00 0.00 42.92 41.93 1ir1 s ASP 202 CO 0.00 0.26 1.11 -0.62 0.21 0.00 0.00 175.17 176.12 1ir1 s ASP 203 N -1.68 3.92 0.45 0.27 -1.08 -1.26 -4.89 116.67 112.40 1ir1 s ASP 203 Ca 0.27 1.91 0.14 0.00 -0.52 0.00 0.00 52.55 54.35 1ir1 s ASP 203 Cb -0.13 -2.51 1.05 0.00 -1.46 0.00 0.00 42.92 39.87 1ir1 s ASP 203 CO 0.16 -2.42 2.02 1.05 0.52 0.00 0.00 175.17 176.50 1ir1 h GLU 204 N -1.40 0.35 -0.08 4.34 9.09 -1.98 -1.94 114.58 122.95 1ir1 h GLU 204 Ca -0.44 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 58.95 1ir1 h GLU 204 Cb 1.25 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 1ir1 h GLU 204 CO 0.48 0.23 0.00 0.27 0.05 0.00 0.00 179.01 180.04 1ir1 n ASN 205 N -4.47 1.71 -4.53 3.06 6.94 -1.26 -4.76 115.26 111.96 1ir1 n ASN 205 Ca 0.07 -1.62 -0.43 0.00 -0.02 0.00 0.00 54.58 52.58 1ir1 n ASN 205 Cb 0.29 -0.05 -0.04 0.00 -2.36 0.00 0.00 39.78 37.63 1ir1 n ASN 205 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ir1 s VAL 206 N -1.91 4.24 0.00 3.53 1.01 -0.73 -4.82 120.40 121.73 1ir1 s VAL 206 Ca 0.35 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1ir1 s VAL 206 Cb 0.20 -4.63 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1ir1 s VAL 206 CO 0.31 -1.28 0.00 0.59 0.00 0.00 0.00 175.10 174.72 1ir1 n ASN 207 N 7.87 0.00 -3.60 3.32 5.03 -1.26 -4.74 115.26 121.87 1ir1 n ASN 207 Ca 0.02 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.34 1ir1 n ASN 207 Cb 0.48 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 39.11 1ir1 n ASN 207 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1ir1 s SER 208 N 0.94 0.46 0.19 6.41 0.15 -1.26 -4.10 113.70 116.50 1ir1 s SER 208 Ca 0.00 0.46 -0.00 0.00 0.70 0.00 0.00 55.95 57.10 1ir1 s SER 208 Cb 0.00 0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 65.01 1ir1 s SER 208 CO 0.00 -0.26 0.10 -1.10 1.20 0.00 0.00 173.24 173.18 1ir1 s GLN 209 N 2.43 1.17 0.33 5.44 1.11 -0.71 -4.92 119.66 124.52 1ir1 s GLN 209 Ca 0.03 -1.61 0.09 0.00 0.01 0.00 0.00 55.36 53.89 1ir1 s GLN 209 Cb -0.13 0.13 0.84 0.00 -1.01 0.00 0.00 33.01 32.84 1ir1 s GLN 209 CO -0.10 -0.33 1.79 -1.35 0.01 0.00 0.00 175.29 175.32 1ir1 h PRO 210 N 2.64 0.65 0.00 2.91 0.11 -2.02 -0.78 132.00 135.51 1ir1 h PRO 210 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1ir1 h PRO 210 Cb 1.23 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ir1 h PRO 210 CO 0.56 0.43 0.00 0.27 -0.21 0.00 0.00 178.00 179.05 1ir1 h PHE 211 N 0.67 0.00 -0.61 0.65 -5.15 -1.96 -3.43 116.94 107.11 1ir1 h PHE 211 Ca 0.56 0.00 0.17 0.00 -0.20 0.00 0.00 57.97 58.50 1ir1 h PHE 211 Cb 1.00 0.00 -0.21 0.00 0.22 0.00 0.00 35.95 36.96 1ir1 h PHE 211 CO -0.00 0.00 -0.05 1.41 -2.00 0.00 0.00 178.31 177.67 1ir1 s MET 212 N -3.22 0.35 0.36 6.09 0.00 -0.31 -4.25 119.30 118.31 1ir1 s MET 212 Ca 0.08 0.60 -0.21 0.00 0.00 0.00 0.00 55.69 56.16 1ir1 s MET 212 Cb 0.10 0.33 -0.10 0.00 0.00 0.00 0.00 34.83 35.16 1ir1 s MET 212 CO 0.55 -0.39 0.87 1.03 0.00 0.00 0.00 175.02 177.08 1ir1 s ARG 213 N 2.91 4.26 0.21 4.11 1.81 -1.18 -1.75 118.95 129.32 1ir1 s ARG 213 Ca 0.09 1.03 -0.10 0.00 -1.72 0.00 0.00 55.73 55.03 1ir1 s ARG 213 Cb -0.12 -2.45 0.24 0.00 -0.45 0.00 0.00 34.95 32.17 1ir1 s ARG 213 CO -0.16 0.13 1.79 0.11 -0.68 0.00 0.00 175.30 176.49 1ir1 h TRP 214 N 2.43 0.58 -0.78 -0.53 5.08 -1.90 -2.55 115.95 118.29 1ir1 h TRP 214 Ca -0.48 0.03 -0.05 0.00 1.08 0.00 0.00 58.89 59.46 1ir1 h TRP 214 Cb 1.18 -0.17 -0.03 0.00 -3.00 0.00 0.00 29.16 27.14 1ir1 h TRP 214 CO 0.62 0.25 0.27 -0.09 -1.28 0.00 0.00 178.44 178.22 1ir1 h ARG 215 N 0.59 1.18 -0.41 0.12 2.43 -1.94 -0.60 114.38 115.75 1ir1 h ARG 215 Ca 0.29 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1ir1 h ARG 215 Cb 0.23 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1ir1 h ARG 215 CO -0.21 0.98 0.22 -0.44 -1.51 0.00 0.00 179.97 179.01 1ir1 h ASP 216 N 1.14 0.53 0.10 -3.80 3.32 -1.92 -1.59 116.42 114.20 1ir1 h ASP 216 Ca 0.25 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1ir1 h ASP 216 Cb 0.27 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1ir1 h ASP 216 CO -0.01 0.48 -0.09 -0.09 -1.72 0.00 0.00 179.24 177.81 1ir1 h ARG 217 N 0.53 -0.20 -0.57 3.56 2.43 -1.04 -1.44 114.38 117.66 1ir1 h ARG 217 Ca 0.14 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.43 1ir1 h ARG 217 Cb 0.08 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.60 1ir1 h ARG 217 CO -0.02 -0.13 0.14 0.74 -1.51 0.00 0.00 179.97 179.18 1ir1 h PHE 218 N -0.20 0.22 0.38 2.20 -1.00 -0.99 0.51 116.94 118.07 1ir1 h PHE 218 Ca -0.00 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 1ir1 h PHE 218 Cb 0.19 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.74 1ir1 h PHE 218 CO -0.10 0.00 -0.19 1.25 -1.61 0.00 0.00 178.31 177.66 1ir1 h LEU 219 N 0.28 -0.44 -0.99 1.54 6.46 -1.00 -1.80 115.31 119.37 1ir1 h LEU 219 Ca 0.29 0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 58.00 1ir1 h LEU 219 Cb 0.41 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.43 1ir1 h LEU 219 CO -0.36 -0.31 -0.03 -0.26 -0.62 0.00 0.00 178.44 176.86 1ir1 h PHE 220 N -0.52 0.74 -0.04 1.25 0.04 -0.94 -2.64 116.94 114.84 1ir1 h PHE 220 Ca -0.05 -0.10 -0.09 0.00 2.80 0.00 0.00 57.97 60.52 1ir1 h PHE 220 Cb 0.40 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1ir1 h PHE 220 CO -0.05 0.72 -0.42 0.00 -0.60 0.00 0.00 178.31 177.96 1ir1 h ALA 222 N 1.51 0.20 -0.49 0.00 0.00 -1.01 0.03 119.26 119.51 1ir1 h ALA 222 Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1ir1 h ALA 222 Cb 0.77 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1ir1 h ALA 222 CO 0.06 -0.08 0.23 1.49 0.00 0.00 0.00 179.25 180.94 1ir1 h GLU 223 N 0.00 0.43 -0.43 0.00 4.81 -1.22 -1.56 114.58 116.61 1ir1 h GLU 223 Ca 0.04 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1ir1 h GLU 223 Cb 0.39 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1ir1 h GLU 223 CO 0.01 0.29 0.12 0.00 -0.73 0.00 0.00 179.01 178.70 1ir1 h ALA 224 N 1.28 0.57 -0.07 2.92 0.00 -1.18 -2.18 119.26 120.61 1ir1 h ALA 224 Ca 0.22 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1ir1 h ALA 224 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ir1 h ALA 224 CO -0.18 0.23 -0.52 1.37 0.00 0.00 0.00 179.25 180.16 1ir1 h LEU 225 N 0.56 0.20 -0.73 0.00 8.10 -0.75 -1.67 115.31 121.02 1ir1 h LEU 225 Ca 0.14 -0.10 -0.13 0.00 0.11 0.00 0.00 57.88 57.89 1ir1 h LEU 225 Cb 0.29 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 40.43 1ir1 h LEU 225 CO -0.00 0.69 -0.63 1.88 -4.11 0.00 0.00 178.44 176.26 1ir1 h TYR 226 N 0.15 0.02 -0.20 0.17 0.05 -1.21 -1.33 116.97 114.63 1ir1 h TYR 226 Ca 0.00 -0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 1ir1 h TYR 226 Cb 0.96 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.70 1ir1 h TYR 226 CO 0.01 0.64 -0.37 -0.22 -1.05 0.00 0.00 178.16 177.18 1ir1 h LYS 227 N 0.01 0.60 -0.74 4.88 3.64 -1.13 -2.02 116.57 121.82 1ir1 h LYS 227 Ca -0.01 -0.38 -0.06 0.00 -1.27 0.00 0.00 60.65 58.93 1ir1 h LYS 227 Cb 1.12 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 1ir1 h LYS 227 CO 0.08 0.99 0.23 0.00 -2.27 0.00 0.00 179.45 178.49 1ir1 h ALA 228 N 0.60 1.01 -0.48 5.00 0.00 -1.22 -1.46 119.26 122.72 1ir1 h ALA 228 Ca 0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1ir1 h ALA 228 Cb 0.96 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1ir1 h ALA 228 CO 0.08 0.67 0.09 0.37 0.00 0.00 0.00 179.25 180.46 1ir1 h GLN 229 N 1.11 0.78 -0.36 0.00 4.15 -1.19 -1.52 115.11 118.08 1ir1 h GLN 229 Ca 0.24 -0.20 -0.08 0.00 0.77 0.00 0.00 58.65 59.38 1ir1 h GLN 229 Cb 0.30 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1ir1 h GLN 229 CO -0.01 0.78 -0.12 0.00 -1.93 0.00 0.00 178.83 177.55 1ir1 h ALA 230 N 0.97 1.12 -0.33 3.38 0.00 -1.17 0.51 119.26 123.74 1ir1 h ALA 230 Ca 0.15 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 1ir1 h ALA 230 Cb 0.37 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ir1 h ALA 230 CO 0.01 0.55 -0.47 1.49 0.00 0.00 0.00 179.25 180.83 1ir1 h GLU 231 N 0.57 0.90 0.00 0.00 4.81 -1.03 -3.36 114.58 116.48 1ir1 h GLU 231 Ca 0.10 -0.53 -0.22 0.00 -0.13 0.00 0.00 59.36 58.58 1ir1 h GLU 231 Cb 0.54 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 1ir1 h GLU 231 CO 0.03 1.17 -1.88 0.25 -0.73 0.00 0.00 179.01 177.85 1ir1 n THR 232 N -4.04 1.11 -0.90 0.32 -2.24 -0.59 -4.99 114.28 102.94 1ir1 n THR 232 Ca -0.04 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1ir1 n THR 232 Cb 0.59 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1ir1 n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ir1 n GLY 233 N 1.51 0.59 3.44 3.38 0.00 0.16 -5.03 105.19 109.24 1ir1 n GLY 233 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1ir1 n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ir1 s GLU 234 N -0.10 2.40 0.25 1.61 2.02 -1.25 -5.07 118.70 118.57 1ir1 s GLU 234 Ca 0.00 -0.75 -0.30 0.00 0.02 0.00 0.00 54.97 53.94 1ir1 s GLU 234 Cb 0.00 -2.30 -0.10 0.00 0.10 0.00 0.00 34.13 31.83 1ir1 s GLU 234 CO 0.00 0.61 1.48 0.42 0.02 0.00 0.00 175.26 177.79 1ir1 s ILE 235 N -0.71 2.53 0.31 -1.63 1.01 -1.26 -4.55 121.20 116.89 1ir1 s ILE 235 Ca 0.11 0.44 0.08 0.00 0.00 0.00 0.00 60.65 61.29 1ir1 s ILE 235 Cb -0.10 -3.28 -0.06 0.00 0.01 0.00 0.00 42.46 39.02 1ir1 s ILE 235 CO 0.00 0.07 -0.09 -0.54 0.00 0.00 0.00 174.94 174.38 1ir1 s LYS 236 N -0.31 1.69 0.08 2.79 -0.14 -1.26 -4.89 119.74 117.70 1ir1 s LYS 236 Ca 0.61 -1.86 -0.20 0.00 -1.36 0.00 0.00 55.97 53.16 1ir1 s LYS 236 Cb -0.43 -1.48 0.05 0.00 -1.68 0.00 0.00 37.83 34.29 1ir1 s LYS 236 CO 0.44 0.11 0.47 0.20 -0.76 0.00 0.00 175.35 175.81 1ir1 s GLY 237 N -3.53 -0.38 -0.07 -3.33 0.00 -0.81 -4.79 107.32 94.41 1ir1 s GLY 237 Ca 0.31 0.34 -0.02 0.00 0.00 0.00 0.00 44.72 45.35 1ir1 s GLY 237 CO 0.14 0.06 0.03 -1.58 0.00 0.00 0.00 173.10 171.75 1ir1 s HIS 238 N -3.02 0.46 -0.43 1.90 2.46 -1.26 -2.48 115.29 112.92 1ir1 s HIS 238 Ca -0.02 -0.06 -0.27 0.00 0.47 0.00 0.00 55.06 55.17 1ir1 s HIS 238 Cb 0.00 -0.70 -0.03 0.00 -0.13 0.00 0.00 32.58 31.72 1ir1 s HIS 238 CO -0.06 -0.30 1.91 0.71 -2.47 0.00 0.00 174.74 174.53 1ir1 s TYR 239 N 2.04 1.64 -0.19 3.88 2.02 -0.65 -4.69 117.35 121.40 1ir1 s TYR 239 Ca 0.05 0.78 -0.25 0.00 -0.37 0.00 0.00 57.07 57.28 1ir1 s TYR 239 Cb -0.13 -4.04 -0.01 0.00 -0.40 0.00 0.00 41.96 37.38 1ir1 s TYR 239 CO -0.05 -2.76 0.82 -0.51 -1.57 0.00 0.00 175.55 171.48 1ir1 s LEU 240 N 8.28 4.15 -0.20 -1.29 1.43 -1.21 -2.55 118.68 127.29 1ir1 s LEU 240 Ca 0.79 1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 54.73 1ir1 s LEU 240 Cb -0.19 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 42.80 1ir1 s LEU 240 CO 0.29 -0.42 1.33 0.21 0.23 0.00 0.00 176.35 177.99 1ir1 s ASN 241 N 1.20 6.80 0.00 2.29 3.84 -1.26 -0.87 114.94 126.93 1ir1 s ASN 241 Ca 0.37 1.58 0.23 0.00 0.21 0.00 0.00 52.86 55.26 1ir1 s ASN 241 Cb -0.16 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.17 1ir1 s ASN 241 CO 0.11 -0.91 1.19 0.00 -2.79 0.00 0.00 177.10 174.70 1ir1 n ALA 242 N 7.10 3.68 -1.63 1.71 0.00 -0.44 -4.91 120.51 126.02 1ir1 n ALA 242 Ca 0.15 -0.55 -0.49 0.00 0.00 0.00 0.00 53.44 52.54 1ir1 n ALA 242 Cb 0.45 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 1ir1 n ALA 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ir1 n THR 243 N -0.58 0.03 -4.09 0.00 -1.04 -1.26 -4.40 114.28 102.94 1ir1 n THR 243 Ca 0.09 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.05 61.93 1ir1 n THR 243 Cb 0.40 -1.19 -0.04 0.00 -1.82 0.00 0.00 70.33 67.69 1ir1 n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ir1 s ALA 244 N 0.91 0.87 -0.18 2.41 0.00 -1.26 -4.84 121.76 119.67 1ir1 s ALA 244 Ca 0.83 -1.58 0.17 0.00 0.00 0.00 0.00 51.96 51.38 1ir1 s ALA 244 Cb -0.83 1.15 0.19 0.00 0.00 0.00 0.00 23.12 23.63 1ir1 s ALA 244 CO 0.44 -0.80 1.51 0.78 0.00 0.00 0.00 175.76 177.69 1ir1 h GLY 245 N 2.06 0.00 -2.89 0.00 0.00 -1.95 -3.47 103.07 96.82 1ir1 h GLY 245 Ca -0.28 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.83 1ir1 h GLY 245 CO 0.38 0.00 -0.67 -0.51 0.00 0.00 0.00 176.54 175.75 1ir1 s THR 246 N -3.07 0.44 0.20 4.70 -4.23 -1.26 -5.05 115.64 107.38 1ir1 s THR 246 Ca 0.04 -1.93 -0.10 0.00 -1.18 0.00 0.00 61.69 58.52 1ir1 s THR 246 Cb 0.07 -1.94 0.14 0.00 1.34 0.00 0.00 72.50 72.12 1ir1 s THR 246 CO 0.72 -0.61 1.83 0.00 -0.54 0.00 0.00 174.62 176.02 1ir1 h GLU 248 N 1.02 0.14 -0.74 0.00 3.07 -1.99 -0.78 114.58 115.30 1ir1 h GLU 248 Ca 0.26 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.06 1ir1 h GLU 248 Cb 0.01 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 1ir1 h GLU 248 CO -0.05 0.09 0.26 -0.44 -1.40 0.00 0.00 179.01 177.48 1ir1 h ASP 249 N 0.15 1.05 -0.30 1.42 3.32 -1.94 -1.51 116.42 118.61 1ir1 h ASP 249 Ca 0.06 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 56.94 1ir1 h ASP 249 Cb 0.02 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1ir1 h ASP 249 CO -0.05 0.96 0.17 -0.03 -1.72 0.00 0.00 179.24 178.57 1ir1 h MET 250 N 1.09 0.35 -0.55 3.56 4.05 -0.97 -2.60 114.93 119.85 1ir1 h MET 250 Ca 0.24 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.58 1ir1 h MET 250 Cb 0.26 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 1ir1 h MET 250 CO -0.01 0.23 0.09 0.52 0.23 0.00 0.00 176.91 177.97 1ir1 h MET 251 N 0.36 0.88 -0.89 0.39 2.86 -0.89 -2.57 114.93 115.07 1ir1 h MET 251 Ca 0.12 -0.21 0.05 0.00 -2.06 0.00 0.00 59.70 57.60 1ir1 h MET 251 Cb -0.00 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.48 1ir1 h MET 251 CO -0.06 0.82 0.57 0.87 1.06 0.00 0.00 176.91 180.17 1ir1 h LYS 252 N 0.84 1.03 -0.27 1.72 1.57 -0.96 0.09 116.57 120.59 1ir1 h LYS 252 Ca 0.17 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.73 1ir1 h LYS 252 Cb 0.37 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1ir1 h LYS 252 CO 0.01 0.68 -0.47 0.00 -0.57 0.00 0.00 179.45 179.10 1ir1 h ARG 253 N 1.06 0.80 -0.75 3.15 3.08 -1.24 -2.73 114.38 117.76 1ir1 h ARG 253 Ca 0.37 -0.50 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 1ir1 h ARG 253 Cb 0.09 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1ir1 h ARG 253 CO -0.15 1.13 0.27 0.00 -1.07 0.00 0.00 179.97 180.15 1ir1 h ALA 254 N 0.67 0.98 -0.87 0.04 0.00 -1.09 -2.40 119.26 116.59 1ir1 h ALA 254 Ca 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1ir1 h ALA 254 Cb 1.08 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1ir1 h ALA 254 CO 0.11 0.64 0.51 0.28 0.00 0.00 0.00 179.25 180.79 1ir1 h VAL 255 N 1.10 1.24 -0.14 0.00 2.07 -0.95 -1.70 116.25 117.88 1ir1 h VAL 255 Ca 0.25 -0.55 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 1ir1 h VAL 255 Cb 0.26 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1ir1 h VAL 255 CO -0.01 0.26 -0.37 0.15 0.02 0.00 0.00 177.57 177.62 1ir1 h PHE 256 N 1.20 0.35 -0.45 1.57 3.57 -1.15 -1.48 116.94 120.55 1ir1 h PHE 256 Ca 0.31 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 1ir1 h PHE 256 Cb -0.03 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1ir1 h PHE 256 CO 0.00 0.64 -0.04 0.00 -2.23 0.00 0.00 178.31 176.67 1ir1 h ALA 257 N 1.36 1.09 -0.50 2.41 0.00 -0.95 -1.20 119.26 121.46 1ir1 h ALA 257 Ca 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1ir1 h ALA 257 Cb 0.77 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1ir1 h ALA 257 CO 0.06 0.57 0.23 -0.09 0.00 0.00 0.00 179.25 180.02 1ir1 h ARG 258 N 0.70 0.74 -0.49 0.00 1.12 -0.72 -2.55 114.38 113.19 1ir1 h ARG 258 Ca 0.13 -0.12 -0.04 0.00 -1.11 0.00 0.00 59.98 58.84 1ir1 h ARG 258 Cb 0.49 -0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 30.30 1ir1 h ARG 258 CO 0.03 0.63 0.12 1.49 -3.11 0.00 0.00 179.97 179.12 1ir1 h GLU 259 N 0.67 0.73 0.00 0.20 4.81 -0.72 -2.17 114.58 118.11 1ir1 h GLU 259 Ca 0.17 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1ir1 h GLU 259 Cb 0.15 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1ir1 h GLU 259 CO -0.02 0.67 0.00 1.28 -0.73 0.00 0.00 179.01 180.21 1ir1 n LEU 260 N -4.29 0.70 -0.05 1.64 4.77 -0.51 -4.91 117.00 114.35 1ir1 n LEU 260 Ca 0.03 0.62 -0.01 0.00 -0.03 0.00 0.00 56.01 56.63 1ir1 n LEU 260 Cb 0.21 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1ir1 n LEU 260 CO 0.39 -0.39 -0.01 0.61 -1.33 0.00 0.00 177.39 176.67 1ir1 n GLY 261 N 0.56 0.44 3.77 -0.72 0.00 -0.82 -5.02 105.19 103.41 1ir1 n GLY 261 Ca 0.04 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1ir1 n GLY 261 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ir1 s VAL 262 N -1.84 3.36 -0.34 1.61 -7.23 -1.20 -5.00 120.40 109.75 1ir1 s VAL 262 Ca 0.00 0.53 0.22 0.00 -1.81 0.00 0.00 61.98 60.92 1ir1 s VAL 262 Cb 0.00 -3.05 0.20 0.00 0.56 0.00 0.00 36.38 34.09 1ir1 s VAL 262 CO 0.00 -0.49 1.41 1.55 -0.31 0.00 0.00 175.10 177.26 1ir1 h PRO 263 N -0.51 0.00 -2.97 4.82 0.13 -1.91 -3.46 132.00 128.10 1ir1 h PRO 263 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 1ir1 h PRO 263 Cb 1.24 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.15 1ir1 h PRO 263 CO 0.53 0.06 -0.28 -1.50 -0.23 0.00 0.00 178.00 176.59 1ir1 s ILE 264 N -3.21 0.04 0.26 -3.56 2.07 -1.26 -1.23 121.20 114.31 1ir1 s ILE 264 Ca 0.04 -0.30 0.04 0.00 -1.41 0.00 0.00 60.65 59.03 1ir1 s ILE 264 Cb 0.07 -0.57 -0.06 0.00 0.13 0.00 0.00 42.46 42.03 1ir1 s ILE 264 CO 0.72 -0.16 -0.00 0.68 -1.91 0.00 0.00 174.94 174.26 1ir1 s VAL 265 N -0.77 1.20 0.21 4.00 -7.23 -0.64 -3.32 120.40 113.85 1ir1 s VAL 265 Ca -0.09 -2.05 0.05 0.00 -1.81 0.00 0.00 61.98 58.08 1ir1 s VAL 265 Cb -0.04 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 1ir1 s VAL 265 CO 0.03 -0.25 -0.05 0.00 -0.31 0.00 0.00 175.10 174.52 1ir1 s MET 266 N -3.84 1.28 -0.16 4.82 0.23 -0.05 -1.05 119.30 120.53 1ir1 s MET 266 Ca 0.30 -1.61 -0.14 0.00 -1.03 0.00 0.00 55.69 53.21 1ir1 s MET 266 Cb 0.06 -0.73 0.04 0.00 -1.53 0.00 0.00 34.83 32.67 1ir1 s MET 266 CO 0.11 -0.00 0.41 -1.58 -2.03 0.00 0.00 175.02 171.93 1ir1 s HIS 267 N -3.30 -0.46 -0.78 3.16 5.04 -0.56 -1.33 115.29 117.06 1ir1 s HIS 267 Ca 0.24 1.11 -0.19 0.00 -1.54 0.00 0.00 55.06 54.69 1ir1 s HIS 267 Cb 0.04 0.16 0.12 0.00 0.04 0.00 0.00 32.58 32.94 1ir1 s HIS 267 CO 0.06 -0.22 0.96 -0.51 -2.34 0.00 0.00 174.74 172.69 1ir1 s ASP 268 N 0.25 6.44 0.53 9.88 1.01 -1.26 -1.55 116.67 131.96 1ir1 s ASP 268 Ca -0.00 -1.73 0.22 0.00 0.71 0.00 0.00 52.55 51.75 1ir1 s ASP 268 Cb -0.03 -2.36 1.42 0.00 1.01 0.00 0.00 42.92 42.96 1ir1 s ASP 268 CO 0.00 -1.12 2.14 0.10 0.21 0.00 0.00 175.17 176.51 1ir1 h TYR 269 N 8.98 0.00 0.18 4.23 -0.00 -1.88 -0.65 116.97 127.83 1ir1 h TYR 269 Ca -0.05 0.00 -0.33 0.00 -0.00 0.00 0.00 58.73 58.35 1ir1 h TYR 269 Cb 1.05 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.79 1ir1 h TYR 269 CO 1.03 0.05 -1.60 -0.07 -0.00 0.00 0.00 178.16 177.57 1ir1 h LEU 270 N 0.00 0.58 -0.27 0.10 3.38 -1.79 -0.68 115.31 116.63 1ir1 h LEU 270 Ca -0.00 -0.92 -0.12 0.00 0.09 0.00 0.00 57.88 56.93 1ir1 h LEU 270 Cb 0.11 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1ir1 h LEU 270 CO 0.01 1.73 -0.59 0.71 0.09 0.00 0.00 178.44 180.39 1ir1 h THR 271 N -0.01 1.08 0.18 0.22 1.35 -1.71 -3.20 112.91 110.82 1ir1 h THR 271 Ca -0.32 -2.31 -0.25 0.00 -0.55 0.00 0.00 66.41 62.98 1ir1 h THR 271 Cb 2.01 2.38 0.02 0.00 -1.73 0.00 0.00 68.15 70.83 1ir1 h THR 271 CO 0.16 0.57 -1.14 1.23 -0.25 0.00 0.00 175.52 176.10 1ir1 h GLY 272 N 2.96 0.42 0.00 5.82 0.00 -1.25 -3.51 103.07 107.52 1ir1 h GLY 272 Ca -0.01 -1.09 0.00 0.00 0.00 0.00 0.00 47.33 46.24 1ir1 h GLY 272 CO 0.08 0.95 0.00 0.61 0.00 0.00 0.00 176.54 178.18 1ir1 n GLY 273 N 1.70 2.90 0.29 4.60 0.00 -0.26 -4.66 105.19 109.75 1ir1 n GLY 273 Ca -0.17 -1.79 -0.04 0.00 0.00 0.00 0.00 46.02 44.03 1ir1 n GLY 273 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ir1 h PHE 274 N 0.00 0.82 -0.24 1.61 0.04 -1.88 -0.95 116.94 116.34 1ir1 h PHE 274 Ca 0.00 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 1ir1 h PHE 274 Cb 0.00 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 1ir1 h PHE 274 CO 0.00 0.74 0.10 1.15 -0.60 0.00 0.00 178.31 179.70 1ir1 h THR 275 N 0.74 1.17 -0.52 -1.55 2.02 -1.92 -0.75 112.91 112.09 1ir1 h THR 275 Ca 0.15 -0.51 -0.12 0.00 0.77 0.00 0.00 66.41 66.71 1ir1 h THR 275 Cb 0.40 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1ir1 h THR 275 CO 0.01 0.17 -0.14 0.00 0.37 0.00 0.00 175.52 175.93 1ir1 h ALA 276 N 0.94 0.76 -0.79 6.16 0.00 -1.80 -2.80 119.26 121.73 1ir1 h ALA 276 Ca 0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1ir1 h ALA 276 Cb 0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1ir1 h ALA 276 CO -0.01 0.67 0.34 -0.97 0.00 0.00 0.00 179.25 179.29 1ir1 h ASN 277 N 0.89 1.06 -0.54 0.00 -1.24 -0.94 -1.77 115.58 113.04 1ir1 h ASN 277 Ca 0.13 -0.14 -0.09 0.00 0.71 0.00 0.00 56.30 56.90 1ir1 h ASN 277 Cb 0.71 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.47 1ir1 h ASN 277 CO 0.05 0.91 -0.02 0.74 -1.29 0.00 0.00 177.43 177.83 1ir1 h THR 278 N 1.13 1.26 -0.52 -3.57 2.02 -1.07 0.83 112.91 113.00 1ir1 h THR 278 Ca 0.27 -1.14 0.01 0.00 0.77 0.00 0.00 66.41 66.31 1ir1 h THR 278 Cb 0.17 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1ir1 h THR 278 CO -0.03 0.41 0.35 0.74 0.37 0.00 0.00 175.52 177.36 1ir1 h THR 279 N 0.91 1.13 -0.38 3.16 2.02 -1.19 -1.70 112.91 116.85 1ir1 h THR 279 Ca 0.16 -0.24 -0.13 0.00 0.77 0.00 0.00 66.41 66.97 1ir1 h THR 279 Cb 0.55 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1ir1 h THR 279 CO 0.03 0.13 -0.30 0.25 0.37 0.00 0.00 175.52 176.00 1ir1 h LEU 280 N 0.71 0.86 -0.60 2.58 5.85 -0.97 -2.16 115.31 121.58 1ir1 h LEU 280 Ca 0.19 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1ir1 h LEU 280 Cb -0.08 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 1ir1 h LEU 280 CO -0.04 1.09 0.35 -1.28 -0.34 0.00 0.00 178.44 178.22 1ir1 h SER 281 N 0.70 0.56 -0.46 1.25 0.87 -0.53 0.18 113.55 116.12 1ir1 h SER 281 Ca 0.08 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.53 1ir1 h SER 281 Cb 0.84 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 1ir1 h SER 281 CO 0.07 0.38 -0.16 0.45 -0.53 0.00 0.00 176.83 177.05 1ir1 h HIS 282 N 0.68 1.07 -0.56 2.24 3.86 -1.18 -2.39 115.15 118.87 1ir1 h HIS 282 Ca 0.25 -0.23 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1ir1 h HIS 282 Cb 0.06 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 1ir1 h HIS 282 CO -0.07 1.03 0.22 -0.92 0.86 0.00 0.00 177.93 179.05 1ir1 h TYR 283 N 0.83 0.86 -0.65 2.45 3.20 -0.89 -1.80 116.97 120.98 1ir1 h TYR 283 Ca 0.12 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1ir1 h TYR 283 Cb 0.71 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1ir1 h TYR 283 CO 0.04 0.70 0.27 0.00 -1.64 0.00 0.00 178.16 177.54 1ir1 h ARG 285 N 0.93 1.07 0.00 0.00 9.65 -1.13 -1.10 114.38 123.80 1ir1 h ARG 285 Ca 0.22 -0.35 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1ir1 h ARG 285 Cb 0.16 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1ir1 h ARG 285 CO -0.02 1.05 0.00 -0.44 2.80 0.00 0.00 179.97 183.36 1ir1 h ASP 286 N 0.97 0.00 0.00 -3.80 3.32 -0.82 -3.30 116.42 112.78 1ir1 h ASP 286 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1ir1 h ASP 286 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1ir1 h ASP 286 CO 0.03 0.00 -0.03 0.59 -1.72 0.00 0.00 179.24 178.12 1ir1 n ASN 287 N -2.35 1.75 -1.70 6.45 3.02 -0.54 -5.02 115.26 116.87 1ir1 n ASN 287 Ca 0.04 -2.17 -0.16 0.00 -0.03 0.00 0.00 54.58 52.25 1ir1 n ASN 287 Cb 0.35 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 1ir1 n ASN 287 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ir1 n GLY 288 N -0.66 0.17 3.77 7.41 0.00 -0.50 -5.01 105.19 110.37 1ir1 n GLY 288 Ca 0.04 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1ir1 n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ir1 s LEU 289 N -4.43 4.26 0.45 0.99 1.43 -0.68 -4.96 118.68 115.74 1ir1 s LEU 289 Ca 0.00 0.34 -0.22 0.00 -1.03 0.00 0.00 54.13 53.22 1ir1 s LEU 289 Cb 0.00 -2.13 -0.09 0.00 0.03 0.00 0.00 46.19 44.00 1ir1 s LEU 289 CO 0.00 0.23 1.04 -0.76 0.23 0.00 0.00 176.35 177.08 1ir1 s LEU 290 N 0.02 3.96 -0.22 1.79 1.43 -0.36 -4.57 118.68 120.73 1ir1 s LEU 290 Ca 0.11 1.96 0.01 0.00 -1.03 0.00 0.00 54.13 55.18 1ir1 s LEU 290 Cb -0.12 -4.42 0.05 0.00 0.03 0.00 0.00 46.19 41.73 1ir1 s LEU 290 CO 0.00 -0.66 -0.07 -0.22 0.23 0.00 0.00 176.35 175.64 1ir1 s LEU 291 N -3.16 2.39 -0.13 1.79 2.96 -1.26 -1.62 118.68 119.64 1ir1 s LEU 291 Ca 0.64 -1.03 -0.18 0.00 -0.22 0.00 0.00 54.13 53.33 1ir1 s LEU 291 Cb -0.18 -1.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.29 1ir1 s LEU 291 CO 0.22 -0.20 0.49 -2.28 -1.32 0.00 0.00 176.35 173.27 1ir1 s HIS 292 N 1.42 3.49 -0.20 5.38 5.65 -0.21 -0.17 115.29 130.65 1ir1 s HIS 292 Ca -0.04 0.88 -0.05 0.00 0.25 0.00 0.00 55.06 56.11 1ir1 s HIS 292 Cb -0.18 -2.58 -0.02 0.00 -1.18 0.00 0.00 32.58 28.62 1ir1 s HIS 292 CO -0.07 0.12 -0.01 0.42 -0.65 0.00 0.00 174.74 174.55 1ir1 s ILE 293 N 0.80 3.84 -0.16 0.89 -1.09 -0.49 -1.49 121.20 123.49 1ir1 s ILE 293 Ca 0.26 -0.35 -0.09 0.00 -2.23 0.00 0.00 60.65 58.24 1ir1 s ILE 293 Cb -0.15 -2.74 -0.05 0.00 -1.58 0.00 0.00 42.46 37.95 1ir1 s ILE 293 CO 0.10 0.43 0.15 -2.28 -1.23 0.00 0.00 174.94 172.11 1ir1 s HIS 294 N 1.05 3.49 -0.27 3.97 5.65 -0.59 -3.29 115.29 125.29 1ir1 s HIS 294 Ca 0.02 0.43 0.03 0.00 0.25 0.00 0.00 55.06 55.79 1ir1 s HIS 294 Cb -0.14 -2.09 0.38 0.00 -1.18 0.00 0.00 32.58 29.55 1ir1 s HIS 294 CO 0.01 0.46 1.50 2.89 -0.65 0.00 0.00 174.74 178.95 1ir1 n ARG 295 N 2.92 1.80 -1.51 2.88 1.85 -1.26 -2.96 116.66 120.37 1ir1 n ARG 295 Ca -0.17 -1.71 -0.53 0.00 -1.00 0.00 0.00 57.85 54.44 1ir1 n ARG 295 Cb 0.53 -1.68 -0.06 0.00 -1.05 0.00 0.00 32.46 30.20 1ir1 n ARG 295 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ir1 n ALA 296 N -0.38 -2.45 -0.85 2.89 0.00 -1.26 -1.42 120.51 117.03 1ir1 n ALA 296 Ca 0.33 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.29 1ir1 n ALA 296 Cb 1.14 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1ir1 n ALA 296 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1ir1 n MET 297 N 1.56 0.00 -0.24 0.00 0.00 -1.26 -4.20 117.12 112.98 1ir1 n MET 297 Ca 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 57.70 57.86 1ir1 n MET 297 Cb 0.17 -2.15 0.18 0.00 0.00 0.00 0.00 33.22 31.42 1ir1 n MET 297 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 1ir1 h HIS 298 N 0.00 1.04 0.00 1.12 -0.00 -1.67 -2.58 115.15 113.06 1ir1 h HIS 298 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1ir1 h HIS 298 Cb 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.08 1ir1 h HIS 298 CO 0.00 0.72 0.00 0.00 -0.00 0.00 0.00 177.93 178.65 1ir1 h ALA 299 N 1.39 1.00 -0.05 6.11 0.00 -1.92 0.33 119.26 126.12 1ir1 h ALA 299 Ca 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1ir1 h ALA 299 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ir1 h ALA 299 CO -0.04 0.00 -0.36 0.28 0.00 0.00 0.00 179.25 179.12 1ir1 h VAL 300 N 0.00 1.28 0.03 0.00 2.07 -1.88 -3.04 116.25 114.71 1ir1 h VAL 300 Ca 0.00 -1.32 -0.38 0.00 0.82 0.00 0.00 66.70 65.81 1ir1 h VAL 300 Cb 0.32 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 1ir1 h VAL 300 CO 0.00 0.39 -2.34 -0.38 0.02 0.00 0.00 177.57 175.26 1ir1 n ILE 301 N -4.09 1.57 0.01 4.57 5.41 -0.44 -4.75 119.36 121.65 1ir1 n ILE 301 Ca -0.02 -0.58 0.08 0.00 1.00 0.00 0.00 62.75 63.23 1ir1 n ILE 301 Cb 0.42 -1.52 0.17 0.00 -0.71 0.00 0.00 39.64 38.00 1ir1 n ILE 301 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1ir1 n ASP 302 N -3.36 3.03 -0.03 4.38 5.68 -0.02 -2.14 116.55 124.09 1ir1 n ASP 302 Ca -0.42 -1.90 -0.13 0.00 -0.50 0.00 0.00 54.79 51.83 1ir1 n ASP 302 Cb 1.00 -0.24 -0.10 0.00 -1.14 0.00 0.00 41.12 40.64 1ir1 n ASP 302 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1ir1 h ARG 303 N 2.95 0.08 -6.56 0.11 9.65 -1.77 -3.43 114.38 115.40 1ir1 h ARG 303 Ca 0.00 -0.05 -0.52 0.00 -1.10 0.00 0.00 59.98 58.31 1ir1 h ARG 303 Cb 0.78 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.34 1ir1 h ARG 303 CO 0.00 0.66 0.28 -0.65 2.80 0.00 0.00 179.97 183.06 1ir1 s GLN 304 N -3.79 4.68 0.39 0.20 -1.52 -1.26 -3.45 119.66 114.90 1ir1 s GLN 304 Ca -0.16 1.32 0.14 0.00 -1.95 0.00 0.00 55.36 54.71 1ir1 s GLN 304 Cb 0.01 -3.32 0.78 0.00 -0.22 0.00 0.00 33.01 30.27 1ir1 s GLN 304 CO 0.70 0.40 1.85 -0.22 -0.25 0.00 0.00 175.29 177.77 1ir1 h LYS 305 N 4.87 0.00 0.00 2.91 3.64 -1.89 -3.27 116.57 122.83 1ir1 h LYS 305 Ca -0.45 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.87 1ir1 h LYS 305 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1ir1 h LYS 305 CO 0.69 0.34 -0.94 -2.95 -2.27 0.00 0.00 179.45 174.32 1ir1 h ASN 306 N 0.00 0.00 -3.84 4.20 -1.07 -1.94 -3.47 115.58 109.46 1ir1 h ASN 306 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.22 1ir1 h ASN 306 Cb 0.61 0.00 -0.25 0.00 -2.07 0.00 0.00 38.32 36.61 1ir1 h ASN 306 CO 0.04 0.22 -0.34 -2.28 0.07 0.00 0.00 177.43 175.13 1ir1 s HIS 307 N -3.18 -0.35 -0.49 4.14 5.04 -1.23 -3.27 115.29 115.94 1ir1 s HIS 307 Ca 0.00 0.86 0.00 0.00 -1.54 0.00 0.00 55.06 54.38 1ir1 s HIS 307 Cb 0.08 0.12 0.00 0.00 0.04 0.00 0.00 32.58 32.83 1ir1 s HIS 307 CO 0.78 -0.17 0.00 0.41 -2.34 0.00 0.00 174.74 173.41 1ir1 n GLY 308 N 2.94 0.23 2.80 1.59 0.00 -0.47 -4.47 105.19 107.81 1ir1 n GLY 308 Ca -0.13 -1.87 -0.16 0.00 0.00 0.00 0.00 46.02 43.85 1ir1 n GLY 308 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ir1 s MET 309 N -0.36 0.18 0.52 1.61 -1.94 -0.91 -1.29 119.30 117.10 1ir1 s MET 309 Ca 0.00 0.12 -0.21 0.00 -1.71 0.00 0.00 55.69 53.89 1ir1 s MET 309 Cb 0.00 -0.41 -0.06 0.00 2.01 0.00 0.00 34.83 36.37 1ir1 s MET 309 CO 0.00 -0.15 1.15 -1.58 -0.01 0.00 0.00 175.02 174.42 1ir1 s HIS 310 N 1.07 2.73 0.53 -0.03 2.46 -0.52 -3.52 115.29 118.00 1ir1 s HIS 310 Ca -0.09 1.54 0.22 0.00 0.47 0.00 0.00 55.06 57.20 1ir1 s HIS 310 Cb -0.13 -3.33 1.37 0.00 -0.13 0.00 0.00 32.58 30.35 1ir1 s HIS 310 CO -0.02 -1.58 2.06 0.35 -2.47 0.00 0.00 174.74 173.08 1ir1 h PHE 311 N 1.48 0.00 -0.15 3.88 3.57 -1.92 -1.83 116.94 121.97 1ir1 h PHE 311 Ca -0.50 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.04 1ir1 h PHE 311 Cb 1.26 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 1ir1 h PHE 311 CO 0.52 0.00 0.11 0.07 -2.23 0.00 0.00 178.31 176.77 1ir1 h ARG 312 N 0.00 0.03 -0.12 1.11 0.11 -1.91 0.37 114.38 113.97 1ir1 h ARG 312 Ca 0.15 -0.00 -0.22 0.00 0.10 0.00 0.00 59.98 60.01 1ir1 h ARG 312 Cb 0.60 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.69 1ir1 h ARG 312 CO -0.00 0.02 -0.78 0.28 0.10 0.00 0.00 179.97 179.59 1ir1 h VAL 313 N 0.03 1.29 -0.08 0.08 2.07 -1.59 -1.73 116.25 116.32 1ir1 h VAL 313 Ca 0.07 -1.99 -0.09 0.00 0.82 0.00 0.00 66.70 65.51 1ir1 h VAL 313 Cb 0.24 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1ir1 h VAL 313 CO -0.00 0.63 -0.35 -0.07 0.02 0.00 0.00 177.57 177.79 1ir1 h LEU 314 N 0.46 0.17 -0.22 2.57 3.38 -1.17 -1.68 115.31 118.81 1ir1 h LEU 314 Ca -0.06 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1ir1 h LEU 314 Cb 1.42 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 1ir1 h LEU 314 CO 0.16 0.52 -0.18 0.00 0.09 0.00 0.00 178.44 179.03 1ir1 h ALA 315 N 1.50 0.32 -0.61 1.53 0.00 -0.23 -2.49 119.26 119.28 1ir1 h ALA 315 Ca 0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1ir1 h ALA 315 Cb 0.70 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1ir1 h ALA 315 CO 0.05 0.24 0.22 0.87 0.00 0.00 0.00 179.25 180.63 1ir1 h LYS 316 N 0.21 0.93 -0.92 0.00 1.57 -1.13 -2.31 116.57 114.92 1ir1 h LYS 316 Ca 0.04 -0.18 0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1ir1 h LYS 316 Cb 0.72 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 1ir1 h LYS 316 CO 0.05 0.81 0.60 0.00 -0.57 0.00 0.00 179.45 180.33 1ir1 h ALA 317 N 1.08 1.48 -0.39 3.86 0.00 -1.27 -2.22 119.26 121.80 1ir1 h ALA 317 Ca 0.20 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 1ir1 h ALA 317 Cb 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ir1 h ALA 317 CO -0.01 0.40 -0.37 1.25 0.00 0.00 0.00 179.25 180.51 1ir1 h LEU 318 N 1.07 1.00 -1.78 0.00 7.12 -1.12 -1.10 115.31 120.51 1ir1 h LEU 318 Ca 0.39 -0.46 -0.00 0.00 0.13 0.00 0.00 57.88 57.94 1ir1 h LEU 318 Cb 0.15 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 39.99 1ir1 h LEU 318 CO -0.14 1.25 0.10 -0.09 -0.13 0.00 0.00 178.44 179.43 1ir1 h ARG 319 N 0.76 0.24 0.04 1.25 2.43 -0.87 0.66 114.38 118.91 1ir1 h ARG 319 Ca 0.06 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1ir1 h ARG 319 Cb 0.96 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1ir1 h ARG 319 CO 0.09 0.18 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.64 1ir1 h LEU 320 N 0.25 -0.05 -0.23 3.80 3.38 -1.22 -3.28 115.31 117.96 1ir1 h LEU 320 Ca 0.07 -0.55 0.03 0.00 0.09 0.00 0.00 57.88 57.52 1ir1 h LEU 320 Cb 0.01 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1ir1 h LEU 320 CO -0.01 0.68 0.04 -1.28 0.09 0.00 0.00 178.44 177.96 1ir1 h SER 321 N -0.94 0.00 0.00 -0.43 0.87 -0.99 -2.68 113.55 109.37 1ir1 h SER 321 Ca -0.01 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1ir1 h SER 321 Cb 0.60 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1ir1 h SER 321 CO 0.01 0.03 0.00 0.61 -0.53 0.00 0.00 176.83 176.95 1ir1 n GLY 322 N -1.18 3.78 3.62 5.77 0.00 0.23 -4.42 105.19 112.99 1ir1 n GLY 322 Ca -0.02 -1.02 -0.07 0.00 0.00 0.00 0.00 46.02 44.91 1ir1 n GLY 322 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ir1 s GLY 323 N 0.00 -0.03 -0.00 -0.02 0.00 -1.25 -4.77 107.32 101.24 1ir1 s GLY 323 Ca 0.00 2.73 0.14 0.00 0.00 0.00 0.00 44.72 47.59 1ir1 s GLY 323 CO 0.00 1.53 0.72 1.22 0.00 0.00 0.00 173.10 176.57 1ir1 n ASP 324 N 1.41 0.85 -4.25 1.64 8.00 0.77 -4.45 116.55 120.52 1ir1 n ASP 324 Ca -0.10 0.39 -0.16 0.00 0.71 0.00 0.00 54.79 55.63 1ir1 n ASP 324 Cb 0.57 0.05 -0.11 0.00 -0.02 0.00 0.00 41.12 41.62 1ir1 n ASP 324 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1ir1 s HIS 325 N -2.73 1.35 -0.26 1.24 3.76 -1.03 -1.25 115.29 116.36 1ir1 s HIS 325 Ca -0.04 -0.62 -0.21 0.00 -0.15 0.00 0.00 55.06 54.03 1ir1 s HIS 325 Cb 0.08 -0.69 0.07 0.00 1.11 0.00 0.00 32.58 33.15 1ir1 s HIS 325 CO 0.82 0.13 0.69 -1.50 -0.85 0.00 0.00 174.74 174.03 1ir1 s ILE 326 N -2.58 -0.00 0.32 0.60 2.07 -0.86 -1.40 121.20 119.34 1ir1 s ILE 326 Ca 0.12 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.07 1ir1 s ILE 326 Cb -0.02 -0.97 -0.10 0.00 0.13 0.00 0.00 42.46 41.50 1ir1 s ILE 326 CO 0.02 0.00 1.30 -1.00 -1.91 0.00 0.00 174.94 173.35 1ir1 s HIS 327 N 0.80 3.10 0.00 3.50 3.76 -1.21 -1.12 115.29 124.12 1ir1 s HIS 327 Ca -0.03 1.40 0.00 0.00 -0.15 0.00 0.00 55.06 56.28 1ir1 s HIS 327 Cb -0.05 -3.66 0.00 0.00 1.11 0.00 0.00 32.58 29.98 1ir1 s HIS 327 CO -0.06 -1.81 0.13 -1.13 -0.85 0.00 0.00 174.74 171.02 1ir1 n SER 328 N 1.01 0.25 0.00 1.40 3.41 -0.43 -4.77 113.62 114.49 1ir1 n SER 328 Ca 0.01 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 1ir1 n SER 328 Cb 0.42 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 1ir1 n SER 328 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ir1 n GLY 329 N 0.61 1.34 0.00 5.00 0.00 -1.25 -4.93 105.19 105.97 1ir1 n GLY 329 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1ir1 n GLY 329 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ir1 n THR 330 N 1.89 0.00 0.00 2.61 -2.24 -1.26 -4.29 114.28 110.99 1ir1 n THR 330 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ir1 n THR 330 Cb 0.00 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1ir1 n THR 330 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ir1 n VAL 331 N -1.41 0.00 1.11 2.28 0.31 -1.26 -4.38 118.33 114.98 1ir1 n VAL 331 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 1ir1 n VAL 331 Cb 0.00 0.00 0.17 0.00 -0.91 0.00 0.00 33.84 33.10 1ir1 n VAL 331 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1ir1 n VAL 332 N 0.00 0.00 -0.27 2.52 0.24 -1.26 -4.65 118.33 114.90 1ir1 n VAL 332 Ca 0.00 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1ir1 n VAL 332 Cb 0.00 0.79 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 1ir1 n VAL 332 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ir1 n GLY 333 N 1.40 -0.58 0.13 7.63 0.00 -1.26 -4.28 105.19 108.23 1ir1 n GLY 333 Ca 0.10 -1.67 0.13 0.00 0.00 0.00 0.00 46.02 44.58 1ir1 n GLY 333 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ir1 h LYS 334 N 0.00 0.00 -6.37 1.61 2.10 -1.50 -3.44 116.57 108.97 1ir1 h LYS 334 Ca 0.00 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 58.00 1ir1 h LYS 334 Cb 0.00 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.20 1ir1 h LYS 334 CO 0.00 0.00 -0.67 -0.51 -2.00 0.00 0.00 179.45 176.27 1ir1 s LEU 335 N -4.81 3.41 0.38 7.07 1.43 -1.26 -5.05 118.68 119.84 1ir1 s LEU 335 Ca 0.08 -0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 52.71 1ir1 s LEU 335 Cb 0.11 -2.14 -0.09 0.00 0.03 0.00 0.00 46.19 44.09 1ir1 s LEU 335 CO 0.55 0.18 1.32 -0.70 0.23 0.00 0.00 176.35 177.93 1ir1 s GLU 336 N -2.26 4.10 0.00 1.70 2.12 -1.26 -4.58 118.70 118.52 1ir1 s GLU 336 Ca 0.25 2.21 0.00 0.00 0.36 0.00 0.00 54.97 57.78 1ir1 s GLU 336 Cb -0.12 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.40 1ir1 s GLU 336 CO 0.17 -0.40 0.00 0.41 -0.54 0.00 0.00 175.26 174.90 1ir1 n GLY 337 N 0.69 0.39 3.79 -1.50 0.00 -1.26 -4.88 105.19 102.42 1ir1 n GLY 337 Ca 0.02 0.67 -0.38 0.00 0.00 0.00 0.00 46.02 46.33 1ir1 n GLY 337 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ir1 s GLU 338 N 0.00 4.43 0.11 1.61 0.41 -1.26 -4.09 118.70 119.90 1ir1 s GLU 338 Ca 0.00 1.02 -0.32 0.00 -0.41 0.00 0.00 54.97 55.26 1ir1 s GLU 338 Cb 0.00 -3.15 -0.12 0.00 -1.78 0.00 0.00 34.13 29.09 1ir1 s GLU 338 CO 0.00 0.53 1.58 -0.09 -0.49 0.00 0.00 175.26 176.79 1ir1 h ARG 339 N 4.10 -0.68 -0.54 1.61 2.43 -1.98 -0.58 114.38 118.73 1ir1 h ARG 339 Ca -0.48 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1ir1 h ARG 339 Cb 1.20 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.88 1ir1 h ARG 339 CO 0.65 -0.46 0.34 -0.44 -1.51 0.00 0.00 179.97 178.56 1ir1 h ASP 340 N -0.71 0.64 -0.49 -3.80 3.32 -1.95 -0.34 116.42 113.09 1ir1 h ASP 340 Ca 0.01 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1ir1 h ASP 340 Cb 0.71 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1ir1 h ASP 340 CO -0.22 0.49 0.20 0.40 -1.72 0.00 0.00 179.24 178.39 1ir1 h ILE 341 N 0.73 1.21 -0.38 0.35 2.04 -1.76 -1.98 117.51 117.71 1ir1 h ILE 341 Ca 0.20 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1ir1 h ILE 341 Cb -0.05 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1ir1 h ILE 341 CO -0.04 0.24 0.19 0.74 0.00 0.00 0.00 178.15 179.28 1ir1 h THR 342 N 0.65 1.17 0.00 -0.27 2.02 -0.77 -1.40 112.91 114.31 1ir1 h THR 342 Ca 0.16 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1ir1 h THR 342 Cb 0.19 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1ir1 h THR 342 CO -0.01 0.18 -0.06 -0.07 0.37 0.00 0.00 175.52 175.92 1ir1 h LEU 343 N 0.48 0.00 0.54 2.58 3.38 -0.97 -1.26 115.31 120.06 1ir1 h LEU 343 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1ir1 h LEU 343 Cb 0.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.87 1ir1 h LEU 343 CO -0.02 0.06 -0.26 1.23 0.09 0.00 0.00 178.44 179.55 1ir1 h GLY 344 N 0.27 -0.75 2.00 0.83 0.00 -0.48 -2.81 103.07 102.12 1ir1 h GLY 344 Ca -0.00 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1ir1 h GLY 344 CO 0.01 -0.27 0.00 1.97 0.00 0.00 0.00 176.54 178.24 1ir1 n PHE 345 N -5.32 0.92 -0.09 5.60 1.16 -0.95 -2.61 117.46 116.18 1ir1 n PHE 345 Ca -0.11 0.30 -0.10 0.00 -1.87 0.00 0.00 57.45 55.67 1ir1 n PHE 345 Cb 0.33 -0.99 0.04 0.00 -1.61 0.00 0.00 39.48 37.24 1ir1 n PHE 345 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 1ir1 h VAL 346 N 0.00 1.28 -0.35 1.97 2.07 -1.22 -1.43 116.25 118.57 1ir1 h VAL 346 Ca 0.00 -1.51 -0.11 0.00 0.82 0.00 0.00 66.70 65.91 1ir1 h VAL 346 Cb 0.59 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1ir1 h VAL 346 CO 0.00 0.50 -0.22 0.44 0.02 0.00 0.00 177.57 178.31 1ir1 h ASP 347 N 0.67 0.69 0.41 0.57 3.32 -1.24 -1.56 116.42 119.28 1ir1 h ASP 347 Ca 0.07 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 1ir1 h ASP 347 Cb 0.90 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 1ir1 h ASP 347 CO 0.08 0.90 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.33 1ir1 h LEU 348 N 0.60 0.00 0.05 1.55 3.38 -1.21 -1.36 115.31 118.32 1ir1 h LEU 348 Ca 0.09 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.74 1ir1 h LEU 348 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1ir1 h LEU 348 CO 0.05 0.09 -1.75 -0.07 0.09 0.00 0.00 178.44 176.85 1ir1 h LEU 349 N 0.00 0.18 0.00 1.67 3.38 -0.63 -3.42 115.31 116.49 1ir1 h LEU 349 Ca -0.00 -0.36 -0.38 0.00 0.09 0.00 0.00 57.88 57.23 1ir1 h LEU 349 Cb 0.33 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1ir1 h LEU 349 CO 0.01 1.32 -2.43 0.54 0.09 0.00 0.00 178.44 177.98 1ir1 n ARG 350 N -3.24 0.67 -2.04 1.13 1.74 -0.65 -0.73 116.66 113.54 1ir1 n ARG 350 Ca -0.21 0.11 -0.28 0.00 -0.77 0.00 0.00 57.85 56.70 1ir1 n ARG 350 Cb 1.05 -1.53 0.07 0.00 -1.02 0.00 0.00 32.46 31.02 1ir1 n ARG 350 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ir1 s ASP 351 N -6.22 4.89 0.05 0.55 1.01 -0.53 -4.37 116.67 112.06 1ir1 s ASP 351 Ca -0.27 0.74 0.23 0.00 0.71 0.00 0.00 52.55 53.96 1ir1 s ASP 351 Cb 0.08 -1.39 -0.01 0.00 1.01 0.00 0.00 42.92 42.61 1ir1 s ASP 351 CO 0.68 -1.62 0.96 -0.67 0.21 0.00 0.00 175.17 174.74 1ir1 n ASP 352 N -3.06 0.59 -3.68 0.27 2.03 -1.26 -4.83 116.55 106.60 1ir1 n ASP 352 Ca 0.07 -0.20 -0.10 0.00 0.52 0.00 0.00 54.79 55.08 1ir1 n ASP 352 Cb 0.60 0.91 -0.10 0.00 -0.72 0.00 0.00 41.12 41.81 1ir1 n ASP 352 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1ir1 s TYR 353 N -3.23 -0.70 -0.05 -0.67 5.04 -1.26 -0.87 117.35 115.61 1ir1 s TYR 353 Ca 0.02 1.49 -0.02 0.00 -2.44 0.00 0.00 57.07 56.13 1ir1 s TYR 353 Cb 0.14 0.34 0.03 0.00 0.35 0.00 0.00 41.96 42.82 1ir1 s TYR 353 CO 0.82 -0.37 0.04 0.99 -1.34 0.00 0.00 175.55 175.69 1ir1 s THR 354 N 1.23 0.04 0.46 4.34 2.01 -0.53 -5.02 115.64 118.18 1ir1 s THR 354 Ca -0.08 0.33 -0.15 0.00 0.31 0.00 0.00 61.69 62.11 1ir1 s THR 354 Cb -0.07 -0.27 -0.08 0.00 0.01 0.00 0.00 72.50 72.10 1ir1 s THR 354 CO -0.12 0.20 0.90 -1.61 -0.69 0.00 0.00 174.62 173.30 1ir1 s GLU 355 N 2.10 3.92 0.20 4.92 2.02 -1.26 -0.75 118.70 129.84 1ir1 s GLU 355 Ca 0.05 0.79 -0.32 0.00 0.02 0.00 0.00 54.97 55.51 1ir1 s GLU 355 Cb -0.12 -2.24 -0.15 0.00 0.10 0.00 0.00 34.13 31.71 1ir1 s GLU 355 CO -0.04 -0.15 1.14 1.17 0.02 0.00 0.00 175.26 177.41 1ir1 n LYS 356 N -1.34 1.22 -3.23 1.61 4.81 -1.26 -4.80 118.16 115.18 1ir1 n LYS 356 Ca 0.05 0.43 -0.02 0.00 -0.87 0.00 0.00 58.31 57.91 1ir1 n LYS 356 Cb 0.54 -1.91 -0.02 0.00 0.02 0.00 0.00 35.03 33.66 1ir1 n LYS 356 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ir1 s ASP 357 N -0.09 -1.15 0.57 3.14 2.15 0.34 -4.97 116.67 116.66 1ir1 s ASP 357 Ca 0.70 -0.89 0.38 0.00 0.43 0.00 0.00 52.55 53.17 1ir1 s ASP 357 Cb -0.82 1.76 1.98 0.00 -0.30 0.00 0.00 42.92 45.54 1ir1 s ASP 357 CO 0.53 -0.18 2.15 0.03 -0.17 0.00 0.00 175.17 177.53 1ir1 h ARG 358 N 7.01 0.00 0.00 4.34 2.47 -1.93 -1.07 114.38 125.20 1ir1 h ARG 358 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1ir1 h ARG 358 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1ir1 h ARG 358 CO 0.11 0.00 0.00 -1.13 0.56 0.00 0.00 179.97 179.51 1ir1 n SER 359 N -2.88 0.52 -0.05 7.04 3.41 -1.26 -2.74 113.62 117.65 1ir1 n SER 359 Ca -0.02 0.58 0.01 0.00 -0.26 0.00 0.00 58.87 59.19 1ir1 n SER 359 Cb 0.10 -0.71 0.02 0.00 -0.26 0.00 0.00 64.21 63.37 1ir1 n SER 359 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ir1 n ARG 360 N -2.03 2.85 -1.07 4.33 1.74 -0.50 -4.82 116.66 117.17 1ir1 n ARG 360 Ca 0.04 -1.63 -0.02 0.00 -0.77 0.00 0.00 57.85 55.47 1ir1 n ARG 360 Cb 0.31 -1.06 -0.01 0.00 -1.02 0.00 0.00 32.46 30.68 1ir1 n ARG 360 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ir1 n GLY 361 N -0.51 0.57 3.33 -0.13 0.00 -1.09 -4.44 105.19 102.93 1ir1 n GLY 361 Ca 0.02 -0.91 -0.45 0.00 0.00 0.00 0.00 46.02 44.68 1ir1 n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ir1 s ILE 362 N -2.08 5.12 -0.29 -0.61 1.01 -0.63 -4.93 121.20 118.79 1ir1 s ILE 362 Ca 0.00 -1.37 0.21 0.00 0.00 0.00 0.00 60.65 59.49 1ir1 s ILE 362 Cb 0.00 -4.21 0.25 0.00 0.01 0.00 0.00 42.46 38.51 1ir1 s ILE 362 CO 0.00 -0.76 1.58 1.88 0.00 0.00 0.00 174.94 177.65 1ir1 h TYR 363 N 8.80 0.00 -3.96 3.97 -1.99 -1.93 0.99 116.97 122.85 1ir1 h TYR 363 Ca -0.29 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.19 1ir1 h TYR 363 Cb 1.10 0.00 -0.20 0.00 2.00 0.00 0.00 36.73 39.63 1ir1 h TYR 363 CO 0.69 0.18 -0.73 -0.06 -0.00 0.00 0.00 178.16 178.24 1ir1 s PHE 364 N -3.17 0.65 0.19 4.88 0.08 -1.26 -4.88 117.98 114.46 1ir1 s PHE 364 Ca 0.05 -0.55 -0.30 0.00 0.12 0.00 0.00 56.93 56.25 1ir1 s PHE 364 Cb 0.06 -0.39 -0.08 0.00 -0.57 0.00 0.00 43.02 42.04 1ir1 s PHE 364 CO 0.69 -0.11 1.07 0.99 -0.10 0.00 0.00 175.22 177.76 1ir1 s THR 365 N -1.65 3.91 -0.08 0.64 2.01 -1.26 -4.12 115.64 115.10 1ir1 s THR 365 Ca -0.08 1.69 0.02 0.00 0.31 0.00 0.00 61.69 63.63 1ir1 s THR 365 Cb -0.08 -4.08 0.01 0.00 0.01 0.00 0.00 72.50 68.36 1ir1 s THR 365 CO -0.00 0.31 -0.13 -1.58 -0.69 0.00 0.00 174.62 172.52 1ir1 s GLN 366 N -0.50 1.88 0.07 4.92 2.00 0.07 -4.91 119.66 123.18 1ir1 s GLN 366 Ca 0.48 -0.46 0.07 0.00 -2.00 0.00 0.00 55.36 53.44 1ir1 s GLN 366 Cb -0.29 -1.57 -0.04 0.00 0.80 0.00 0.00 33.01 31.92 1ir1 s GLN 366 CO 0.35 0.00 -0.12 -1.12 -0.50 0.00 0.00 175.29 173.90 1ir1 s SER 367 N 0.77 4.24 0.00 6.67 0.01 -1.26 -1.45 113.70 122.68 1ir1 s SER 367 Ca -0.12 -0.37 0.04 0.00 1.31 0.00 0.00 55.95 56.81 1ir1 s SER 367 Cb -0.16 -0.80 0.03 0.00 0.21 0.00 0.00 66.02 65.31 1ir1 s SER 367 CO 0.02 0.22 0.61 0.79 0.41 0.00 0.00 173.24 175.29 1ir1 n TRP 368 N 1.08 0.00 -4.18 2.43 7.02 -0.05 -4.72 117.44 119.02 1ir1 n TRP 368 Ca -0.15 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 55.93 1ir1 n TRP 368 Cb 0.52 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.39 1ir1 n TRP 368 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1ir1 n VAL 369 N 0.15 -2.05 -1.56 -0.99 0.24 -1.26 -1.49 118.33 111.37 1ir1 n VAL 369 Ca 0.02 -0.56 -0.16 0.00 -2.04 0.00 0.00 64.34 61.61 1ir1 n VAL 369 Cb 0.11 -1.79 -0.06 0.00 -1.47 0.00 0.00 33.84 30.63 1ir1 n VAL 369 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1ir1 n SER 370 N -2.44 -4.87 -4.73 -1.34 7.64 -1.26 -4.98 113.62 101.63 1ir1 n SER 370 Ca -0.20 0.34 -0.41 0.00 1.01 0.00 0.00 58.87 59.61 1ir1 n SER 370 Cb 0.62 -3.78 -0.03 0.00 -1.01 0.00 0.00 64.21 60.00 1ir1 n SER 370 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ir1 s THR 371 N -2.61 3.31 0.64 0.44 2.01 -0.56 -4.94 115.64 113.93 1ir1 s THR 371 Ca 0.00 1.05 -0.18 0.00 0.31 0.00 0.00 61.69 62.87 1ir1 s THR 371 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1ir1 s THR 371 CO 0.00 0.14 0.90 -2.65 -0.69 0.00 0.00 174.62 172.33 1ir1 n PRO 372 N 2.90 0.74 -1.99 4.92 -0.02 -1.26 -4.91 135.00 135.37 1ir1 n PRO 372 Ca 0.07 0.30 -0.30 0.00 -2.02 0.00 0.00 63.50 61.54 1ir1 n PRO 372 Cb 0.43 -2.13 0.01 0.00 -0.02 0.00 0.00 33.50 31.80 1ir1 n PRO 372 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ir1 s GLY 373 N -1.35 1.63 -0.09 -1.23 0.00 -1.26 -4.68 107.32 100.34 1ir1 s GLY 373 Ca 0.75 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 45.30 1ir1 s GLY 373 CO 0.48 0.08 -0.10 0.14 0.00 0.00 0.00 173.10 173.71 1ir1 s VAL 374 N -3.13 3.42 -0.14 1.40 1.01 0.10 -2.46 120.40 120.60 1ir1 s VAL 374 Ca 0.54 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 1ir1 s VAL 374 Cb -0.11 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1ir1 s VAL 374 CO 0.52 0.57 1.22 -0.76 0.00 0.00 0.00 175.10 176.65 1ir1 s LEU 375 N -0.39 4.20 0.32 3.92 1.43 -0.38 -4.27 118.68 123.50 1ir1 s LEU 375 Ca 0.05 1.69 -0.27 0.00 -1.03 0.00 0.00 54.13 54.57 1ir1 s LEU 375 Cb -0.12 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.46 1ir1 s LEU 375 CO 0.02 -0.70 1.02 -2.16 0.23 0.00 0.00 176.35 174.76 1ir1 s PRO 376 N 3.12 4.52 -0.20 1.29 0.04 -1.26 -2.04 135.00 140.48 1ir1 s PRO 376 Ca 0.54 1.55 0.02 0.00 0.04 0.00 0.00 61.00 63.14 1ir1 s PRO 376 Cb -0.22 -2.92 0.03 0.00 0.04 0.00 0.00 34.50 31.44 1ir1 s PRO 376 CO 0.16 0.18 -0.17 0.08 0.04 0.00 0.00 177.00 177.28 1ir1 s VAL 377 N -1.43 2.07 -0.26 -0.36 1.01 -0.28 -1.37 120.40 119.79 1ir1 s VAL 377 Ca 0.49 -1.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 1ir1 s VAL 377 Cb -0.25 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1ir1 s VAL 377 CO 0.31 0.36 0.47 0.00 0.00 0.00 0.00 175.10 176.24 1ir1 s ALA 378 N 1.24 3.58 -0.09 5.51 0.00 0.17 -1.32 121.76 130.86 1ir1 s ALA 378 Ca 0.01 -0.65 -0.19 0.00 0.00 0.00 0.00 51.96 51.12 1ir1 s ALA 378 Cb -0.15 -2.82 0.04 0.00 0.00 0.00 0.00 23.12 20.19 1ir1 s ALA 378 CO -0.10 -0.68 0.46 0.45 0.00 0.00 0.00 175.76 175.88 1ir1 s SER 379 N 1.53 -0.42 0.00 0.00 0.15 -1.26 -1.03 113.70 112.67 1ir1 s SER 379 Ca 0.19 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.42 1ir1 s SER 379 Cb -0.16 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1ir1 s SER 379 CO 0.09 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1ir1 n GLY 380 N 1.80 2.07 2.25 9.45 0.00 -1.26 -4.63 105.19 114.88 1ir1 n GLY 380 Ca -0.18 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 1ir1 n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ir1 n GLY 381 N 0.05 -0.12 3.73 -0.02 0.00 -1.26 -1.74 105.19 105.84 1ir1 n GLY 381 Ca 0.00 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 1ir1 n GLY 381 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ir1 s ILE 382 N -2.65 4.05 0.34 -0.61 -4.36 -1.26 -4.17 121.20 112.54 1ir1 s ILE 382 Ca 0.00 -1.31 0.00 0.00 -0.26 0.00 0.00 60.65 59.08 1ir1 s ILE 382 Cb 0.00 -3.07 -0.01 0.00 1.25 0.00 0.00 42.46 40.64 1ir1 s ILE 382 CO 0.00 -0.14 0.42 -1.38 0.24 0.00 0.00 174.94 174.08 1ir1 s HIS 383 N -1.79 1.26 0.33 1.37 -3.43 -1.26 -4.42 115.29 107.34 1ir1 s HIS 383 Ca 0.29 -1.40 0.12 0.00 -0.80 0.00 0.00 55.06 53.28 1ir1 s HIS 383 Cb -0.09 -0.25 1.02 0.00 -1.43 0.00 0.00 32.58 31.83 1ir1 s HIS 383 CO 0.21 -1.07 1.66 -0.39 -2.00 0.00 0.00 174.74 173.15 1ir1 h VAL 384 N 2.12 0.29 0.00 -5.38 -1.51 -1.93 0.13 116.25 109.96 1ir1 h VAL 384 Ca -0.27 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1ir1 h VAL 384 Cb 1.24 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1ir1 h VAL 384 CO 0.38 0.05 0.00 -0.50 -1.23 0.00 0.00 177.57 176.27 1ir1 h TRP 385 N 0.29 0.00 0.00 5.19 4.06 -1.96 -1.83 115.95 121.70 1ir1 h TRP 385 Ca 0.70 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.65 1ir1 h TRP 385 Cb 1.59 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.75 1ir1 h TRP 385 CO -0.06 0.00 -0.40 0.72 -3.56 0.00 0.00 178.44 175.13 1ir1 n HIS 386 N -2.77 0.36 -0.21 0.49 8.25 0.44 -4.43 115.22 117.35 1ir1 n HIS 386 Ca -0.00 0.11 0.01 0.00 -0.26 0.00 0.00 57.72 57.58 1ir1 n HIS 386 Cb 0.19 -0.56 0.10 0.00 1.12 0.00 0.00 29.99 30.85 1ir1 n HIS 386 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1ir1 h MET 387 N 0.00 0.09 -0.30 -0.41 -1.53 -1.35 -1.14 114.93 110.29 1ir1 h MET 387 Ca 0.00 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1ir1 h MET 387 Cb 0.64 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.65 1ir1 h MET 387 CO 0.00 0.06 0.19 -1.35 0.14 0.00 0.00 176.91 175.95 1ir1 h PRO 388 N 0.09 0.40 -0.53 0.39 0.11 -1.81 -1.01 132.00 129.65 1ir1 h PRO 388 Ca 0.33 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.41 1ir1 h PRO 388 Cb 0.54 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 1ir1 h PRO 388 CO -0.57 0.28 0.30 0.00 -0.21 0.00 0.00 178.00 177.81 1ir1 h ALA 389 N 1.09 0.67 -0.43 -0.75 0.00 -1.73 -0.77 119.26 117.35 1ir1 h ALA 389 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ir1 h ALA 389 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1ir1 h ALA 389 CO -0.02 0.17 0.22 -0.07 0.00 0.00 0.00 179.25 179.55 1ir1 h LEU 390 N 0.70 0.54 -0.84 0.00 3.38 -1.03 0.26 115.31 118.32 1ir1 h LEU 390 Ca 0.19 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1ir1 h LEU 390 Cb 0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1ir1 h LEU 390 CO -0.03 0.49 0.29 0.74 0.09 0.00 0.00 178.44 180.02 1ir1 h THR 391 N 0.55 1.26 -0.39 0.22 2.02 -1.01 -1.05 112.91 114.51 1ir1 h THR 391 Ca 0.15 -0.83 -0.09 0.00 0.77 0.00 0.00 66.41 66.41 1ir1 h THR 391 Cb 0.08 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1ir1 h THR 391 CO -0.02 0.33 -0.10 -0.08 0.37 0.00 0.00 175.52 176.03 1ir1 h GLU 392 N 1.11 0.75 0.11 6.66 4.22 -0.79 -1.01 114.58 125.62 1ir1 h GLU 392 Ca 0.25 -0.29 -0.01 0.00 0.08 0.00 0.00 59.36 59.40 1ir1 h GLU 392 Cb 0.23 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ir1 h GLU 392 CO -0.02 0.89 -0.05 0.82 -2.18 0.00 0.00 179.01 178.47 1ir1 h ILE 393 N 0.56 1.11 0.00 2.32 2.04 -0.75 -3.38 117.51 119.40 1ir1 h ILE 393 Ca 0.10 -1.06 -0.21 0.00 1.00 0.00 0.00 64.86 64.70 1ir1 h ILE 393 Cb 0.62 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 1ir1 h ILE 393 CO 0.04 0.25 -1.39 -0.26 0.00 0.00 0.00 178.15 176.79 1ir1 h PHE 394 N -0.66 0.00 -0.14 1.37 0.04 -1.29 -3.50 116.94 112.77 1ir1 h PHE 394 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1ir1 h PHE 394 Cb 0.51 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.66 1ir1 h PHE 394 CO 0.08 0.75 -0.00 0.41 -0.60 0.00 0.00 178.31 178.95 1ir1 n GLY 395 N 1.43 -2.06 0.30 -1.45 0.00 -0.38 -4.36 105.19 98.66 1ir1 n GLY 395 Ca -0.10 -1.42 -0.04 0.00 0.00 0.00 0.00 46.02 44.46 1ir1 n GLY 395 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ir1 h ASP 396 N -0.01 0.80 -1.28 1.61 3.32 -1.90 -3.38 116.42 115.59 1ir1 h ASP 396 Ca 0.00 -0.18 -0.70 0.00 0.02 0.00 0.00 57.03 56.17 1ir1 h ASP 396 Cb 0.01 -0.21 -0.11 0.00 0.22 0.00 0.00 39.33 39.24 1ir1 h ASP 396 CO 0.00 0.84 1.94 -1.81 -1.72 0.00 0.00 179.24 178.48 1ir1 s ASP 397 N -6.61 6.92 0.14 6.45 1.01 -1.26 -3.10 116.67 120.22 1ir1 s ASP 397 Ca -0.10 -2.63 -0.25 0.00 0.71 0.00 0.00 52.55 50.28 1ir1 s ASP 397 Cb 0.15 -2.52 0.07 0.00 1.01 0.00 0.00 42.92 41.62 1ir1 s ASP 397 CO 0.81 -1.03 0.96 -0.94 0.21 0.00 0.00 175.17 175.18 1ir1 s SER 398 N 3.78 -0.19 -0.12 0.27 1.04 -1.26 -4.31 113.70 112.91 1ir1 s SER 398 Ca 0.50 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.57 1ir1 s SER 398 Cb 0.02 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.63 1ir1 s SER 398 CO 0.05 -0.87 -0.14 -0.69 0.98 0.00 0.00 173.24 172.57 1ir1 s VAL 399 N -3.26 1.43 -0.23 5.02 1.01 -0.47 -0.93 120.40 122.97 1ir1 s VAL 399 Ca 0.12 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1ir1 s VAL 399 Cb -0.01 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1ir1 s VAL 399 CO 0.01 0.43 0.09 -0.76 0.00 0.00 0.00 175.10 174.87 1ir1 s LEU 400 N 1.22 3.66 -0.11 3.92 1.43 -0.04 -0.65 118.68 128.12 1ir1 s LEU 400 Ca -0.02 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1ir1 s LEU 400 Cb -0.14 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1ir1 s LEU 400 CO -0.05 0.03 -0.13 -1.10 0.23 0.00 0.00 176.35 175.33 1ir1 s GLN 401 N 1.22 3.17 -0.31 1.70 -0.21 -0.20 -0.90 119.66 124.13 1ir1 s GLN 401 Ca 0.05 -0.69 0.02 0.00 0.02 0.00 0.00 55.36 54.76 1ir1 s GLN 401 Cb -0.14 -2.57 0.09 0.00 1.00 0.00 0.00 33.01 31.39 1ir1 s GLN 401 CO 0.04 0.31 0.04 -0.06 -2.12 0.00 0.00 175.29 173.50 1ir1 s PHE 402 N 0.08 2.81 0.00 0.91 0.40 -0.46 -4.20 117.98 117.52 1ir1 s PHE 402 Ca -0.06 -2.32 0.00 0.00 -0.60 0.00 0.00 56.93 53.95 1ir1 s PHE 402 Cb -0.15 -2.23 0.00 0.00 0.51 0.00 0.00 43.02 41.15 1ir1 s PHE 402 CO 0.04 -0.89 0.00 0.41 0.70 0.00 0.00 175.22 175.49 1ir1 n GLY 403 N 4.53 0.47 0.27 4.36 0.00 -1.26 -3.46 105.19 110.11 1ir1 n GLY 403 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1ir1 n GLY 403 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ir1 h GLY 404 N 0.00 0.00 1.61 -0.02 0.00 -1.92 -0.33 103.07 102.41 1ir1 h GLY 404 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ir1 h GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ir1 n GLY 405 N -1.26 -0.79 0.97 4.60 0.00 -1.26 -0.87 105.19 106.57 1ir1 n GLY 405 Ca -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 1ir1 n GLY 405 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ir1 n THR 406 N -1.31 0.17 1.32 2.61 -1.04 -0.25 -4.68 114.28 111.10 1ir1 n THR 406 Ca 0.07 0.02 0.12 0.00 -2.04 0.00 0.00 64.05 62.22 1ir1 n THR 406 Cb 0.12 -1.52 0.67 0.00 -1.82 0.00 0.00 70.33 67.78 1ir1 n THR 406 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ir1 n LEU 407 N -3.09 0.00 -0.91 -4.42 4.32 -0.49 -2.58 117.00 109.83 1ir1 n LEU 407 Ca -0.02 0.19 0.12 0.00 -0.02 0.00 0.00 56.01 56.28 1ir1 n LEU 407 Cb 0.47 -0.19 0.18 0.00 -1.62 0.00 0.00 43.42 42.26 1ir1 n LEU 407 CO 0.00 -0.04 0.68 0.61 -1.22 0.00 0.00 177.39 177.43 1ir1 n GLY 408 N 0.76 0.95 3.75 -0.72 0.00 -0.05 -4.88 105.19 104.99 1ir1 n GLY 408 Ca 0.14 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1ir1 n GLY 408 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ir1 s HIS 409 N -1.92 3.19 0.65 1.61 5.04 -1.06 -4.92 115.29 117.88 1ir1 s HIS 409 Ca 0.31 1.34 0.40 0.00 -1.54 0.00 0.00 55.06 55.57 1ir1 s HIS 409 Cb 0.20 -3.62 2.22 0.00 0.04 0.00 0.00 32.58 31.43 1ir1 s HIS 409 CO 0.31 -1.79 2.30 -1.00 -2.34 0.00 0.00 174.74 172.21 1ir1 h PRO 410 N 4.36 0.00 -0.26 2.88 0.13 -1.91 -2.56 132.00 134.64 1ir1 h PRO 410 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ir1 h PRO 410 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ir1 h PRO 410 CO 0.71 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.39 1ir1 n TRP 411 N -3.23 0.33 0.00 1.56 8.01 -1.26 -5.09 117.44 117.76 1ir1 n TRP 411 Ca -0.03 -0.20 0.00 0.00 -1.31 0.00 0.00 57.50 55.96 1ir1 n TRP 411 Cb 0.12 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.41 1ir1 n TRP 411 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ir1 n GLY 412 N 1.18 -2.53 0.07 6.99 0.00 -0.96 -4.67 105.19 105.26 1ir1 n GLY 412 Ca 0.15 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 1ir1 n GLY 412 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ir1 h ASN 413 N 0.00 -0.06 -0.04 1.61 4.21 -1.87 -1.26 115.58 118.17 1ir1 h ASN 413 Ca 0.00 -0.04 0.01 0.00 1.21 0.00 0.00 56.30 57.48 1ir1 h ASN 413 Cb 0.00 0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.20 1ir1 h ASN 413 CO 0.00 0.00 -0.04 0.00 -1.29 0.00 0.00 177.43 176.10 1ir1 h ALA 414 N 0.82 -0.01 -0.27 -0.83 0.00 -1.84 0.17 119.26 117.31 1ir1 h ALA 414 Ca -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1ir1 h ALA 414 Cb 0.10 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1ir1 h ALA 414 CO 0.01 -0.52 -0.04 -1.35 0.00 0.00 0.00 179.25 177.35 1ir1 h PRO 415 N -0.06 0.41 -0.53 0.00 0.11 -1.83 -1.08 132.00 129.03 1ir1 h PRO 415 Ca 0.03 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 1ir1 h PRO 415 Cb 0.11 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1ir1 h PRO 415 CO -0.08 0.48 -0.00 0.78 -0.21 0.00 0.00 178.00 178.96 1ir1 h GLY 416 N 0.78 0.97 0.86 -0.55 0.00 -0.52 -1.69 103.07 102.91 1ir1 h GLY 416 Ca 0.09 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 1ir1 h GLY 416 CO 0.01 0.62 -0.08 0.00 0.00 0.00 0.00 176.54 177.09 1ir1 h ALA 417 N 1.16 0.36 -0.46 3.60 0.00 -0.13 -2.93 119.26 120.86 1ir1 h ALA 417 Ca 0.16 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1ir1 h ALA 417 Cb 0.50 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1ir1 h ALA 417 CO 0.02 0.18 0.21 0.28 0.00 0.00 0.00 179.25 179.95 1ir1 h VAL 418 N 0.25 0.93 -0.61 0.00 2.07 -0.66 -0.49 116.25 117.74 1ir1 h VAL 418 Ca 0.06 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.53 1ir1 h VAL 418 Cb 0.56 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 1ir1 h VAL 418 CO 0.03 0.08 0.24 0.00 0.02 0.00 0.00 177.57 177.94 1ir1 h ALA 419 N 1.27 0.79 -0.35 1.67 0.00 -1.25 0.23 119.26 121.62 1ir1 h ALA 419 Ca 0.21 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 1ir1 h ALA 419 Cb 0.15 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ir1 h ALA 419 CO -0.17 -0.17 -0.40 -0.91 0.00 0.00 0.00 179.25 177.60 1ir1 h ASN 420 N 0.44 0.95 -0.38 0.00 2.35 -1.24 -1.19 115.58 116.50 1ir1 h ASN 420 Ca 0.30 -0.48 -0.04 0.00 -0.55 0.00 0.00 56.30 55.53 1ir1 h ASN 420 Cb 0.35 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1ir1 h ASN 420 CO -0.29 1.24 0.07 -0.09 -1.65 0.00 0.00 177.43 176.72 1ir1 h ARG 421 N 0.68 0.63 -0.28 0.81 9.65 -0.57 -1.33 114.38 123.97 1ir1 h ARG 421 Ca 0.05 -0.16 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 1ir1 h ARG 421 Cb 1.00 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.49 1ir1 h ARG 421 CO 0.10 0.68 0.11 0.28 2.80 0.00 0.00 179.97 183.94 1ir1 h VAL 422 N 0.48 1.17 -0.59 0.20 2.07 -0.55 -1.64 116.25 117.39 1ir1 h VAL 422 Ca 0.12 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.16 1ir1 h VAL 422 Cb 0.35 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1ir1 h VAL 422 CO 0.01 0.18 0.33 0.00 0.02 0.00 0.00 177.57 178.10 1ir1 h ALA 423 N 0.96 0.77 0.16 1.67 0.00 -1.10 -0.80 119.26 120.91 1ir1 h ALA 423 Ca 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ir1 h ALA 423 Cb 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ir1 h ALA 423 CO -0.01 0.01 -0.08 1.25 0.00 0.00 0.00 179.25 180.43 1ir1 h LEU 424 N 0.63 -0.18 -1.58 0.00 5.85 -1.07 -2.53 115.31 116.43 1ir1 h LEU 424 Ca 0.25 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1ir1 h LEU 424 Cb 0.12 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1ir1 h LEU 424 CO -0.15 0.01 0.02 -0.33 -0.34 0.00 0.00 178.44 177.65 1ir1 h GLU 425 N -0.37 0.29 -0.64 1.25 5.08 -1.12 -0.69 114.58 118.37 1ir1 h GLU 425 Ca -0.02 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1ir1 h GLU 425 Cb 0.29 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1ir1 h GLU 425 CO 0.04 0.30 0.07 0.00 -1.00 0.00 0.00 179.01 178.41 1ir1 h ALA 426 N 1.75 0.85 -0.44 3.43 0.00 -1.04 -0.48 119.26 123.32 1ir1 h ALA 426 Ca 0.07 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1ir1 h ALA 426 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ir1 h ALA 426 CO 0.00 0.65 -0.25 0.00 0.00 0.00 0.00 179.25 179.65 1ir1 h VAL 428 N 0.79 1.21 -0.27 0.00 2.07 -0.95 -0.21 116.25 118.88 1ir1 h VAL 428 Ca 0.09 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1ir1 h VAL 428 Cb 0.83 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1ir1 h VAL 428 CO 0.07 0.23 0.15 -0.61 0.02 0.00 0.00 177.57 177.43 1ir1 h GLN 429 N 0.34 0.38 -0.46 1.57 4.15 -1.05 -0.73 115.11 119.30 1ir1 h GLN 429 Ca 0.10 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.50 1ir1 h GLN 429 Cb 0.26 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 1ir1 h GLN 429 CO -0.00 0.34 0.26 0.00 -1.93 0.00 0.00 178.83 177.50 1ir1 h ALA 430 N 1.02 0.59 -0.18 3.38 0.00 -1.14 -1.47 119.26 121.46 1ir1 h ALA 430 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ir1 h ALA 430 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ir1 h ALA 430 CO -0.02 -0.06 0.12 -0.09 0.00 0.00 0.00 179.25 179.20 1ir1 h ARG 431 N 0.52 0.24 0.00 0.00 2.43 -0.82 -1.84 114.38 114.91 1ir1 h ARG 431 Ca 0.19 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1ir1 h ARG 431 Cb 0.04 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1ir1 h ARG 431 CO -0.10 0.16 -0.05 -0.91 -1.51 0.00 0.00 179.97 177.56 1ir1 h ASN 432 N 0.24 0.00 0.36 -3.80 4.21 -0.78 -0.17 115.58 115.64 1ir1 h ASN 432 Ca 0.07 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.58 1ir1 h ASN 432 Cb -0.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.18 1ir1 h ASN 432 CO -0.01 0.05 -0.09 -0.62 -1.29 0.00 0.00 177.43 175.46 1ir1 n GLU 433 N -3.90 0.69 -0.00 0.81 1.02 -0.59 -4.92 120.64 113.75 1ir1 n GLU 433 Ca -0.03 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 1ir1 n GLU 433 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1ir1 n GLU 433 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ir1 n GLY 434 N 1.27 0.84 3.82 0.62 0.00 -0.08 -5.09 105.19 106.58 1ir1 n GLY 434 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1ir1 n GLY 434 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ir1 s ARG 435 N -1.00 4.23 -0.50 1.61 0.52 -0.74 -5.01 118.95 118.07 1ir1 s ARG 435 Ca 0.00 1.09 -0.24 0.00 -0.52 0.00 0.00 55.73 56.06 1ir1 s ARG 435 Cb 0.00 -2.24 0.03 0.00 0.52 0.00 0.00 34.95 33.26 1ir1 s ARG 435 CO 0.00 0.01 0.89 0.34 0.02 0.00 0.00 175.30 176.55 1ir1 s ASP 436 N -2.15 6.39 0.39 0.23 2.15 -1.26 -4.40 116.67 118.02 1ir1 s ASP 436 Ca 0.60 -0.19 0.07 0.00 0.43 0.00 0.00 52.55 53.46 1ir1 s ASP 436 Cb -0.10 -2.42 0.81 0.00 -0.30 0.00 0.00 42.92 40.91 1ir1 s ASP 436 CO 0.14 -1.09 2.01 -0.07 -0.17 0.00 0.00 175.17 175.99 1ir1 h LEU 437 N 10.61 0.56 -0.50 -1.34 4.07 -1.92 0.25 115.31 127.04 1ir1 h LEU 437 Ca -0.25 -0.01 -0.14 0.00 0.08 0.00 0.00 57.88 57.56 1ir1 h LEU 437 Cb 1.08 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.68 1ir1 h LEU 437 CO 1.04 0.39 -0.31 0.00 -1.08 0.00 0.00 178.44 178.48 1ir1 h ALA 438 N 1.67 0.68 0.14 1.53 0.00 -1.91 -1.24 119.26 120.13 1ir1 h ALA 438 Ca 0.23 -0.42 -0.35 0.00 0.00 0.00 0.00 54.91 54.36 1ir1 h ALA 438 Cb 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ir1 h ALA 438 CO -0.06 0.67 -1.87 -0.09 0.00 0.00 0.00 179.25 177.90 1ir1 h ARG 439 N 0.76 0.29 -0.63 0.00 9.65 -1.90 -3.39 114.38 119.16 1ir1 h ARG 439 Ca 0.08 -0.50 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 1ir1 h ARG 439 Cb 0.88 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 1ir1 h ARG 439 CO 0.08 1.20 0.00 0.39 2.80 0.00 0.00 179.97 184.44 1ir1 n GLU 440 N -3.49 2.69 -0.13 0.20 1.02 0.86 -4.72 120.64 117.06 1ir1 n GLU 440 Ca -0.28 -2.53 -0.09 0.00 -0.02 0.00 0.00 57.16 54.24 1ir1 n GLU 440 Cb 1.06 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 30.91 1ir1 n GLU 440 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1ir1 h GLY 441 N 4.08 -0.51 1.50 0.62 0.00 -1.36 -0.77 103.07 106.62 1ir1 h GLY 441 Ca 0.00 0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.84 1ir1 h GLY 441 CO 0.00 -0.18 0.20 3.43 0.00 0.00 0.00 176.54 179.98 1ir1 h ASN 442 N -0.31 0.59 -0.27 0.19 2.35 -1.85 -2.53 115.58 113.75 1ir1 h ASN 442 Ca 0.15 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1ir1 h ASN 442 Cb 0.58 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1ir1 h ASN 442 CO -0.58 0.53 0.04 0.74 -1.65 0.00 0.00 177.43 176.50 1ir1 h THR 443 N 0.65 1.23 -0.73 2.81 2.02 -1.70 -1.77 112.91 115.42 1ir1 h THR 443 Ca 0.16 -0.80 0.04 0.00 0.77 0.00 0.00 66.41 66.58 1ir1 h THR 443 Cb 0.11 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.72 1ir1 h THR 443 CO -0.02 0.26 0.45 0.40 0.37 0.00 0.00 175.52 176.98 1ir1 h ILE 444 N 0.26 1.08 -0.42 3.11 2.04 -0.88 0.12 117.51 122.81 1ir1 h ILE 444 Ca 0.08 -0.30 -0.14 0.00 1.00 0.00 0.00 64.86 65.51 1ir1 h ILE 444 Cb 0.35 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1ir1 h ILE 444 CO 0.01 0.16 -0.27 0.40 0.00 0.00 0.00 178.15 178.45 1ir1 h ILE 445 N 0.87 1.27 -0.64 -0.67 1.08 -1.38 -2.84 117.51 115.21 1ir1 h ILE 445 Ca 0.30 -1.43 -0.05 0.00 -0.39 0.00 0.00 64.86 63.29 1ir1 h ILE 445 Cb 0.06 1.27 -0.03 0.00 -3.07 0.00 0.00 36.82 35.05 1ir1 h ILE 445 CO -0.13 0.48 0.19 0.03 -0.69 0.00 0.00 178.15 178.04 1ir1 h ARG 446 N 0.75 0.98 -0.82 2.37 3.08 -0.81 -2.36 114.38 117.57 1ir1 h ARG 446 Ca 0.09 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 59.96 1ir1 h ARG 446 Cb 0.85 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.71 1ir1 h ARG 446 CO 0.07 0.85 0.54 0.93 -1.07 0.00 0.00 179.97 181.29 1ir1 h GLU 447 N 0.95 1.05 -0.08 0.04 5.08 -0.88 -2.61 114.58 118.13 1ir1 h GLU 447 Ca 0.21 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1ir1 h GLU 447 Cb 0.28 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1ir1 h GLU 447 CO -0.01 0.70 -0.32 0.00 -1.00 0.00 0.00 179.01 178.38 1ir1 h ALA 448 N 1.32 1.31 0.00 3.43 0.00 -1.20 -2.71 119.26 121.41 1ir1 h ALA 448 Ca 0.31 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ir1 h ALA 448 Cb -0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ir1 h ALA 448 CO -0.08 0.48 -0.01 1.79 0.00 0.00 0.00 179.25 181.42 1ir1 h THR 449 N 0.14 0.08 -0.61 0.00 1.35 -1.04 -2.03 112.91 110.80 1ir1 h THR 449 Ca 0.02 -0.25 -0.05 0.00 -0.55 0.00 0.00 66.41 65.57 1ir1 h THR 449 Cb 0.64 1.23 -0.03 0.00 -1.73 0.00 0.00 68.15 68.27 1ir1 h THR 449 CO 0.05 0.01 0.17 0.50 -0.25 0.00 0.00 175.52 176.00 1ir1 h LYS 450 N 0.00 0.93 -0.01 4.72 1.63 -1.51 -3.24 116.57 119.09 1ir1 h LYS 450 Ca -0.00 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 1ir1 h LYS 450 Cb 0.23 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1ir1 h LYS 450 CO 0.00 0.81 -0.19 -2.67 -3.45 0.00 0.00 179.45 173.96 1ir1 n TRP 451 N -4.27 0.00 -3.99 1.91 4.27 -1.07 -4.88 117.44 109.40 1ir1 n TRP 451 Ca 0.05 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.34 1ir1 n TRP 451 Cb 0.22 0.00 -0.15 0.00 -1.36 0.00 0.00 31.31 30.03 1ir1 n TRP 451 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1ir1 s SER 452 N -1.29 4.74 0.42 -0.67 0.15 -0.79 -4.96 113.70 111.30 1ir1 s SER 452 Ca 0.08 -2.30 0.09 0.00 0.70 0.00 0.00 55.95 54.53 1ir1 s SER 452 Cb 0.08 -1.65 0.91 0.00 -1.71 0.00 0.00 66.02 63.65 1ir1 s SER 452 CO 0.23 -0.37 2.03 -0.65 1.20 0.00 0.00 173.24 175.69 1ir1 h PRO 453 N 7.45 0.36 -0.40 5.44 0.11 -1.89 -1.01 132.00 142.06 1ir1 h PRO 453 Ca -0.05 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 1ir1 h PRO 453 Cb 1.00 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 1ir1 h PRO 453 CO 0.56 0.30 0.12 0.93 -0.21 0.00 0.00 178.00 179.70 1ir1 h GLU 454 N 0.36 0.63 -0.36 1.05 3.07 -1.93 -1.65 114.58 115.75 1ir1 h GLU 454 Ca 0.09 -0.14 -0.15 0.00 -0.50 0.00 0.00 59.36 58.67 1ir1 h GLU 454 Cb 0.08 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 1ir1 h GLU 454 CO -0.01 0.63 -0.35 1.25 -1.40 0.00 0.00 179.01 179.13 1ir1 h LEU 455 N 0.50 0.94 -0.60 1.33 5.85 -1.75 -2.91 115.31 118.68 1ir1 h LEU 455 Ca 0.13 -0.46 0.06 0.00 0.84 0.00 0.00 57.88 58.45 1ir1 h LEU 455 Cb 0.27 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 1ir1 h LEU 455 CO -0.00 1.21 0.29 0.00 -0.34 0.00 0.00 178.44 179.60 1ir1 h ALA 456 N 0.76 0.78 -0.76 1.25 0.00 -1.02 -0.29 119.26 119.98 1ir1 h ALA 456 Ca 0.06 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1ir1 h ALA 456 Cb 0.94 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1ir1 h ALA 456 CO 0.09 -0.07 0.33 0.00 0.00 0.00 0.00 179.25 179.60 1ir1 h ALA 457 N 1.34 1.15 -0.32 0.00 0.00 -1.27 -2.54 119.26 117.62 1ir1 h ALA 457 Ca 0.28 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1ir1 h ALA 457 Cb 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ir1 h ALA 457 CO -0.21 0.62 -0.10 0.00 0.00 0.00 0.00 179.25 179.57 1ir1 h ALA 458 N 1.27 0.45 -0.96 0.00 0.00 -1.16 -3.14 119.26 115.72 1ir1 h ALA 458 Ca 0.26 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ir1 h ALA 458 Cb 0.16 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1ir1 h ALA 458 CO -0.03 0.30 0.63 0.00 0.00 0.00 0.00 179.25 180.16 1ir1 h GLU 460 N 1.28 0.90 -0.18 0.00 4.81 -1.44 -1.88 114.58 118.07 1ir1 h GLU 460 Ca 0.36 -0.11 -0.21 0.00 -0.13 0.00 0.00 59.36 59.26 1ir1 h GLU 460 Cb -0.12 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.10 1ir1 h GLU 460 CO -0.09 0.69 -0.72 0.28 -0.73 0.00 0.00 179.01 178.44 1ir1 h VAL 461 N 0.90 1.28 -0.30 0.32 2.07 -1.43 -3.37 116.25 115.72 1ir1 h VAL 461 Ca 0.23 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 65.83 1ir1 h VAL 461 Cb 0.07 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1ir1 h VAL 461 CO -0.03 0.61 0.00 0.79 0.02 0.00 0.00 177.57 178.96 1ir1 n TRP 462 N -3.97 0.76 0.27 1.57 8.01 -1.11 -4.74 117.44 118.24 1ir1 n TRP 462 Ca -0.07 -0.71 0.13 0.00 -1.31 0.00 0.00 57.50 55.53 1ir1 n TRP 462 Cb 0.72 -0.20 0.78 0.00 -2.01 0.00 0.00 31.31 30.60 1ir1 n TRP 462 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.69 178.25 1ir1 h LYS 463 N 1.95 0.00 -0.02 -0.99 2.10 -1.50 -2.59 116.57 115.51 1ir1 h LYS 463 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ir1 h LYS 463 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1ir1 h LYS 463 CO 0.13 0.06 -0.15 0.39 -2.00 0.00 0.00 179.45 177.89 1ir1 n GLU 464 N -3.89 1.93 -2.75 0.07 -0.58 -1.26 -4.93 120.64 109.23 1ir1 n GLU 464 Ca -0.03 -1.57 -0.43 0.00 -0.42 0.00 0.00 57.16 54.72 1ir1 n GLU 464 Cb 0.16 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.53 1ir1 n GLU 464 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1ir1 s ILE 465 N -2.16 4.72 0.02 -3.67 -1.09 -0.98 -5.02 121.20 113.01 1ir1 s ILE 465 Ca 0.26 1.78 -0.07 0.00 -2.23 0.00 0.00 60.65 60.38 1ir1 s ILE 465 Cb 0.19 -4.25 -0.00 0.00 -1.58 0.00 0.00 42.46 36.82 1ir1 s ILE 465 CO 0.39 -0.19 0.14 -0.75 -1.23 0.00 0.00 174.94 173.29 1ir1 s LYS 466 N 3.13 0.54 -0.38 2.79 2.47 -1.26 -5.07 119.74 121.97 1ir1 s LYS 466 Ca 0.40 -0.52 0.04 0.00 -1.56 0.00 0.00 55.97 54.33 1ir1 s LYS 466 Cb -0.15 0.22 0.11 0.00 -1.46 0.00 0.00 37.83 36.55 1ir1 s LYS 466 CO 0.08 -0.14 0.10 -0.06 0.16 0.00 0.00 175.35 175.50 1ir1 s PHE 467 N -1.85 3.43 -0.21 4.03 0.08 -1.26 -5.07 117.98 117.13 1ir1 s PHE 467 Ca -0.11 -2.92 0.00 0.00 0.12 0.00 0.00 56.93 54.02 1ir1 s PHE 467 Cb -0.05 -2.78 0.05 0.00 -0.57 0.00 0.00 43.02 39.67 1ir1 s PHE 467 CO -0.01 -0.90 -0.05 -1.21 -0.10 0.00 0.00 175.22 172.96 1ir1 s GLU 468 N 0.71 1.53 0.06 0.44 2.02 -1.26 -4.81 118.70 117.38 1ir1 s GLU 468 Ca 0.12 -0.81 -0.05 0.00 0.02 0.00 0.00 54.97 54.26 1ir1 s GLU 468 Cb -0.20 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 31.62 1ir1 s GLU 468 CO -0.08 -0.55 0.08 -0.06 0.02 0.00 0.00 175.26 174.68 1ir1 s PHE 469 N 1.50 0.29 0.35 1.61 0.08 -1.26 -5.14 117.98 115.40 1ir1 s PHE 469 Ca -0.03 -0.70 -0.28 0.00 0.12 0.00 0.00 56.93 56.03 1ir1 s PHE 469 Cb -0.18 -0.19 -0.10 0.00 -0.57 0.00 0.00 43.02 41.98 1ir1 s PHE 469 CO -0.07 -0.42 1.32 -2.14 -0.10 0.00 0.00 175.22 173.81 1ir1 s PRO 470 N -3.37 4.27 0.08 0.24 0.02 -1.26 -5.00 135.00 129.99 1ir1 s PRO 470 Ca 0.02 2.24 -0.18 0.00 0.02 0.00 0.00 61.00 63.09 1ir1 s PRO 470 Cb 0.03 -3.01 -0.07 0.00 0.02 0.00 0.00 34.50 31.47 1ir1 s PRO 470 CO -0.08 -0.26 0.56 0.00 -0.33 0.00 0.00 177.00 176.88 1ir1 s ALA 471 N -1.16 3.59 -0.14 -1.55 0.00 -1.26 -5.00 121.76 116.24 1ir1 s ALA 471 Ca 0.50 -0.01 -0.20 0.00 0.00 0.00 0.00 51.96 52.26 1ir1 s ALA 471 Cb -0.40 -2.60 -0.25 0.00 0.00 0.00 0.00 23.12 19.87 1ir1 s ALA 471 CO 0.53 0.41 0.49 0.52 0.00 0.00 0.00 175.76 177.72 1ir1 h MET 472 N 4.36 0.13 -6.04 0.00 2.86 -1.94 -3.43 114.93 110.86 1ir1 h MET 472 Ca -0.50 -0.22 -0.60 0.00 -2.06 0.00 0.00 59.70 56.33 1ir1 h MET 472 Cb 1.21 0.08 -0.11 0.00 0.06 0.00 0.00 31.60 32.84 1ir1 h MET 472 CO 0.64 1.11 0.66 0.34 1.06 0.00 0.00 176.91 180.72 1ir1 s ASP 473 N -6.84 6.37 0.11 1.22 2.15 -1.22 -4.33 116.67 114.14 1ir1 s ASP 473 Ca -0.22 -0.22 0.02 0.00 0.43 0.00 0.00 52.55 52.56 1ir1 s ASP 473 Cb 0.04 -2.46 -0.04 0.00 -0.30 0.00 0.00 42.92 40.15 1ir1 s ASP 473 CO 0.70 -1.28 -0.07 0.28 -0.17 0.00 0.00 175.17 174.63 1ir1 s THR 474 N 4.18 0.81 -2.38 1.71 -1.32 -1.26 -4.68 115.64 112.70 1ir1 s THR 474 Ca 0.34 -1.97 0.29 0.00 -1.21 0.00 0.00 61.69 59.14 1ir1 s THR 474 Cb -0.11 -1.74 0.63 0.00 -1.51 0.00 0.00 72.50 69.77 1ir1 s THR 474 CO 0.21 -0.82 1.86 0.52 -2.21 0.00 0.00 174.62 174.17