#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ir1 s GLU 44 N 0.00 3.85 -0.21 -1.58 2.12 -1.26 -2.21 118.70 119.41 3ir1 s GLU 44 Ca 0.00 -0.16 -0.02 0.00 0.36 0.00 0.00 54.97 55.15 3ir1 s GLU 44 Cb 0.00 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 31.08 3ir1 s GLU 44 CO 0.00 0.52 -0.09 0.42 -0.54 0.00 0.00 175.26 175.57 3ir1 s ILE 45 N -0.29 2.94 -0.35 -3.70 1.01 -0.39 -4.96 121.20 115.45 3ir1 s ILE 45 Ca 0.12 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 60.00 3ir1 s ILE 45 Cb -0.12 -2.32 -0.00 0.00 0.01 0.00 0.00 42.46 40.04 3ir1 s ILE 45 CO 0.01 0.46 0.24 -0.69 0.00 0.00 0.00 174.94 174.96 3ir1 s VAL 46 N 1.42 5.10 0.05 2.92 1.01 -1.26 -1.06 120.40 128.57 3ir1 s VAL 46 Ca 0.05 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 3ir1 s VAL 46 Cb -0.14 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 3ir1 s VAL 46 CO -0.06 -0.08 0.39 -0.36 0.00 0.00 0.00 175.10 174.98 3ir1 s PHE 47 N 1.68 3.61 -0.10 5.22 0.40 0.15 -0.89 117.98 128.05 3ir1 s PHE 47 Ca 0.05 0.81 0.02 0.00 -0.60 0.00 0.00 56.93 57.21 3ir1 s PHE 47 Cb -0.18 -2.17 0.01 0.00 0.51 0.00 0.00 43.02 41.20 3ir1 s PHE 47 CO 0.09 0.55 -0.14 0.20 0.70 0.00 0.00 175.22 176.63 3ir1 s GLY 48 N -1.61 0.98 0.15 4.36 0.00 -0.02 -0.42 107.32 110.76 3ir1 s GLY 48 Ca 0.30 -0.65 -0.05 0.00 0.00 0.00 0.00 44.72 44.32 3ir1 s GLY 48 CO 0.17 0.24 0.18 -0.51 0.00 0.00 0.00 173.10 173.18 3ir1 s THR 49 N 0.96 0.08 0.55 0.90 -4.23 -0.62 -0.75 115.64 112.53 3ir1 s THR 49 Ca -0.08 -1.62 -0.17 0.00 -1.18 0.00 0.00 61.69 58.64 3ir1 s THR 49 Cb -0.15 -1.94 -0.06 0.00 1.34 0.00 0.00 72.50 71.69 3ir1 s THR 49 CO -0.01 -0.37 1.03 0.42 -0.54 0.00 0.00 174.62 175.15 3ir1 s THR 50 N -4.01 4.07 0.67 3.99 -4.23 -1.24 -0.29 115.64 114.59 3ir1 s THR 50 Ca 0.20 1.02 -0.15 0.00 -1.18 0.00 0.00 61.69 61.58 3ir1 s THR 50 Cb 0.05 -3.51 0.00 0.00 1.34 0.00 0.00 72.50 70.38 3ir1 s THR 50 CO 0.01 -0.54 1.13 0.54 -0.54 0.00 0.00 174.62 175.22 3ir1 s VAL 51 N -2.46 3.02 0.00 2.29 0.11 0.22 -3.62 120.40 119.95 3ir1 s VAL 51 Ca 0.62 0.49 0.00 0.00 -2.93 0.00 0.00 61.98 60.17 3ir1 s VAL 51 Cb -0.14 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.68 3ir1 s VAL 51 CO 0.33 -0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.43 3ir1 n GLY 52 N -0.25 0.89 0.23 6.54 0.00 -1.26 -4.72 105.19 106.62 3ir1 n GLY 52 Ca 0.11 -1.54 -0.05 0.00 0.00 0.00 0.00 46.02 44.54 3ir1 n GLY 52 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ir1 h ASP 53 N 0.00 -0.60 -0.18 1.61 -0.00 -1.88 0.11 116.42 115.48 3ir1 h ASP 53 Ca 0.00 0.15 -0.05 0.00 -0.00 0.00 0.00 57.03 57.13 3ir1 h ASP 53 Cb 0.00 0.34 -0.02 0.00 -0.00 0.00 0.00 39.33 39.65 3ir1 h ASP 53 CO 0.00 -0.21 -0.02 -0.26 -0.00 0.00 0.00 179.24 178.75 3ir1 h PHE 54 N -0.09 0.47 -0.40 4.15 0.04 -1.84 -1.52 116.94 117.75 3ir1 h PHE 54 Ca 0.20 -0.05 -0.13 0.00 2.80 0.00 0.00 57.97 60.79 3ir1 h PHE 54 Cb 0.40 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 3ir1 h PHE 54 CO -0.42 0.49 -0.26 0.78 -0.60 0.00 0.00 178.31 178.30 3ir1 h GLY 55 N 0.79 0.96 1.29 -1.45 0.00 -1.35 -3.08 103.07 100.23 3ir1 h GLY 55 Ca 0.10 -0.91 -0.02 0.00 0.00 0.00 0.00 47.33 46.50 3ir1 h GLY 55 CO 0.01 0.82 0.34 -0.55 0.00 0.00 0.00 176.54 177.16 3ir1 h ASP 56 N 0.70 0.84 -0.80 0.19 3.32 -0.17 -1.97 116.42 118.52 3ir1 h ASP 56 Ca 0.08 -0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.13 3ir1 h ASP 56 Cb 0.83 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 40.10 3ir1 h ASP 56 CO 0.07 0.70 0.47 0.24 -1.72 0.00 0.00 179.24 178.99 3ir1 h MET 57 N 0.93 0.78 0.21 3.56 2.86 -1.21 0.14 114.93 122.21 3ir1 h MET 57 Ca 0.23 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 3ir1 h MET 57 Cb 0.07 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.55 3ir1 h MET 57 CO -0.03 0.52 -0.10 0.28 1.06 0.00 0.00 176.91 178.64 3ir1 h VAL 58 N 0.81 0.87 -0.51 -2.22 2.07 -1.37 -0.85 116.25 115.05 3ir1 h VAL 58 Ca 0.37 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 3ir1 h VAL 58 Cb 0.29 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3ir1 h VAL 58 CO -0.22 0.15 0.03 0.11 0.02 0.00 0.00 177.57 177.65 3ir1 h LYS 59 N -0.64 0.88 0.00 1.57 1.57 -1.18 0.44 116.57 119.22 3ir1 h LYS 59 Ca -0.03 -0.27 -0.20 0.00 -1.87 0.00 0.00 60.65 58.29 3ir1 h LYS 59 Cb 0.46 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3ir1 h LYS 59 CO 0.05 0.90 -0.94 0.93 -0.57 0.00 0.00 179.45 179.82 3ir1 h GLU 60 N 0.75 0.00 0.00 3.15 5.08 -0.82 -3.43 114.58 119.31 3ir1 h GLU 60 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3ir1 h GLU 60 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3ir1 h GLU 60 CO 0.02 0.94 -0.08 0.94 -1.00 0.00 0.00 179.01 179.84 3ir1 n GLN 61 N -3.37 0.00 0.00 2.33 -0.06 -0.75 -4.87 117.38 110.67 3ir1 n GLN 61 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 57.00 54.89 3ir1 n GLN 61 Cb 0.91 -0.16 -0.05 0.00 -4.06 0.00 0.00 30.24 26.88 3ir1 n GLN 61 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 3ir1 h ILE 62 N 0.00 0.95 -0.08 1.69 1.08 -1.07 -2.82 117.51 117.26 3ir1 h ILE 62 Ca 0.00 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.49 3ir1 h ILE 62 Cb 0.08 0.90 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 3ir1 h ILE 62 CO 0.00 0.01 -0.18 -0.61 -0.69 0.00 0.00 178.15 176.68 3ir1 h GLN 63 N 0.05 -0.24 -0.83 2.37 4.15 -0.37 -0.92 115.11 119.32 3ir1 h GLN 63 Ca 0.04 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.50 3ir1 h GLN 63 Cb 0.04 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.74 3ir1 h GLN 63 CO -0.06 -0.16 0.55 -1.35 -1.93 0.00 0.00 178.83 175.88 3ir1 h PRO 64 N -0.25 1.05 -0.43 -2.39 0.11 -1.78 -0.02 132.00 128.30 3ir1 h PRO 64 Ca 0.08 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 3ir1 h PRO 64 Cb 0.36 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 3ir1 h PRO 64 CO -0.23 0.70 0.08 0.93 -0.21 0.00 0.00 178.00 179.27 3ir1 h GLU 65 N 1.08 0.71 -0.05 1.05 4.39 -1.18 -2.70 114.58 117.88 3ir1 h GLU 65 Ca 0.32 -0.18 -0.13 0.00 0.34 0.00 0.00 59.36 59.70 3ir1 h GLU 65 Cb -0.06 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 3ir1 h GLU 65 CO -0.08 0.73 -0.56 -0.07 -1.16 0.00 0.00 179.01 177.87 3ir1 h LEU 66 N 0.57 0.17 -1.51 1.33 3.38 -0.71 -2.81 115.31 115.73 3ir1 h LEU 66 Ca 0.13 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3ir1 h LEU 66 Cb 0.36 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3ir1 h LEU 66 CO 0.01 0.70 -0.23 -0.33 0.09 0.00 0.00 178.44 178.67 3ir1 h GLU 67 N 0.12 0.00 0.00 1.13 5.08 -0.87 -1.01 114.58 119.03 3ir1 h GLU 67 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ir1 h GLU 67 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3ir1 h GLU 67 CO 0.08 0.23 0.00 1.63 -1.00 0.00 0.00 179.01 179.95 3ir1 n LYS 68 N -3.76 0.05 -0.25 2.33 5.02 -1.03 -1.53 118.16 118.99 3ir1 n LYS 68 Ca -0.01 0.30 0.08 0.00 -2.02 0.00 0.00 58.31 56.66 3ir1 n LYS 68 Cb 0.34 -1.61 0.22 0.00 -0.02 0.00 0.00 35.03 33.96 3ir1 n LYS 68 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ir1 n LYS 69 N -1.71 2.73 -0.19 1.97 5.02 -0.40 -4.96 118.16 120.61 3ir1 n LYS 69 Ca 0.03 -2.29 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 3ir1 n LYS 69 Cb 0.18 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3ir1 n LYS 69 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ir1 n GLY 70 N 1.03 0.68 3.81 0.72 0.00 -0.58 -5.06 105.19 105.78 3ir1 n GLY 70 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3ir1 n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ir1 s TYR 71 N -2.46 3.53 -0.15 1.61 2.02 -1.08 -4.30 117.35 116.52 3ir1 s TYR 71 Ca 0.00 1.60 -0.05 0.00 -0.37 0.00 0.00 57.07 58.25 3ir1 s TYR 71 Cb 0.00 -2.81 -0.04 0.00 -0.40 0.00 0.00 41.96 38.72 3ir1 s TYR 71 CO 0.00 0.11 0.03 0.95 -1.57 0.00 0.00 175.55 175.08 3ir1 s THR 72 N -1.82 4.56 -0.05 -0.71 -4.23 -0.94 -3.93 115.64 108.51 3ir1 s THR 72 Ca 0.53 -0.13 0.04 0.00 -1.18 0.00 0.00 61.69 60.95 3ir1 s THR 72 Cb -0.14 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.67 3ir1 s THR 72 CO 0.19 0.52 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.95 3ir1 s VAL 73 N -0.09 3.01 -0.02 2.29 1.01 -1.26 -1.26 120.40 124.08 3ir1 s VAL 73 Ca 0.05 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.35 3ir1 s VAL 73 Cb -0.12 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 3ir1 s VAL 73 CO 0.02 0.59 -0.20 -0.75 0.00 0.00 0.00 175.10 174.75 3ir1 s LYS 74 N -0.68 1.72 -0.10 2.72 2.20 -0.23 -4.96 119.74 120.42 3ir1 s LYS 74 Ca 0.10 -0.73 0.03 0.00 -0.36 0.00 0.00 55.97 55.02 3ir1 s LYS 74 Cb -0.11 -1.63 0.01 0.00 -1.51 0.00 0.00 37.83 34.59 3ir1 s LYS 74 CO 0.01 0.41 -0.21 -1.17 -0.36 0.00 0.00 175.35 174.03 3ir1 s LEU 75 N -0.40 1.97 -0.16 5.43 2.96 -1.26 0.32 118.68 127.54 3ir1 s LEU 75 Ca 0.06 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 3ir1 s LEU 75 Cb -0.09 -1.28 0.02 0.00 0.50 0.00 0.00 46.19 45.34 3ir1 s LEU 75 CO -0.00 0.11 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.25 3ir1 s VAL 76 N 0.53 2.03 -0.11 1.68 1.01 0.44 -4.97 120.40 121.02 3ir1 s VAL 76 Ca -0.15 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 3ir1 s VAL 76 Cb -0.17 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3ir1 s VAL 76 CO 0.05 0.54 0.06 -1.61 0.00 0.00 0.00 175.10 174.14 3ir1 s GLU 77 N 1.14 3.28 0.06 2.72 2.02 -1.26 -1.59 118.70 125.07 3ir1 s GLU 77 Ca 0.01 -0.30 0.07 0.00 0.02 0.00 0.00 54.97 54.77 3ir1 s GLU 77 Cb -0.14 -2.99 -0.03 0.00 0.10 0.00 0.00 34.13 31.07 3ir1 s GLU 77 CO -0.09 0.67 -0.18 -0.06 0.02 0.00 0.00 175.26 175.62 3ir1 s PHE 78 N -0.75 2.57 -0.76 1.61 0.08 0.60 -4.83 117.98 116.49 3ir1 s PHE 78 Ca 0.12 -0.25 0.22 0.00 0.12 0.00 0.00 56.93 57.15 3ir1 s PHE 78 Cb -0.12 -1.44 -0.02 0.00 -0.57 0.00 0.00 43.02 40.88 3ir1 s PHE 78 CO 0.03 0.29 0.99 0.25 -0.10 0.00 0.00 175.22 176.68 3ir1 n THR 79 N 1.34 0.06 -4.26 0.64 -2.24 -1.26 -0.61 114.28 107.95 3ir1 n THR 79 Ca -0.16 -0.14 -0.25 0.00 -2.27 0.00 0.00 64.05 61.23 3ir1 n THR 79 Cb 0.52 0.49 -0.08 0.00 -2.10 0.00 0.00 70.33 69.16 3ir1 n THR 79 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3ir1 s ASP 80 N -3.49 4.29 0.15 3.42 -4.77 -1.26 -4.90 116.67 110.11 3ir1 s ASP 80 Ca 0.05 -1.06 0.23 0.00 -3.30 0.00 0.00 52.55 48.47 3ir1 s ASP 80 Cb 0.15 -0.51 0.01 0.00 -1.09 0.00 0.00 42.92 41.49 3ir1 s ASP 80 CO 0.82 -0.40 1.02 -1.22 0.70 0.00 0.00 175.17 176.09 3ir1 n TYR 81 N -1.09 0.73 0.01 2.11 4.01 -1.26 -4.53 117.16 117.13 3ir1 n TYR 81 Ca -0.03 0.21 -0.18 0.00 -0.16 0.00 0.00 57.90 57.75 3ir1 n TYR 81 Cb 0.64 -0.81 -0.12 0.00 -0.31 0.00 0.00 39.34 38.74 3ir1 n TYR 81 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3ir1 h VAL 82 N 0.00 1.46 -0.47 -0.72 2.07 -2.02 -3.40 116.25 113.17 3ir1 h VAL 82 Ca 0.00 -2.17 -0.11 0.00 0.82 0.00 0.00 66.70 65.25 3ir1 h VAL 82 Cb 0.93 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 33.44 3ir1 h VAL 82 CO 0.00 0.62 -0.12 0.03 0.02 0.00 0.00 177.57 178.13 3ir1 h ARG 83 N -0.21 0.91 -0.71 1.57 3.08 -2.02 -3.36 114.38 113.65 3ir1 h ARG 83 Ca -0.08 -0.35 0.14 0.00 0.07 0.00 0.00 59.98 59.75 3ir1 h ARG 83 Cb 1.35 -0.05 -0.13 0.00 0.08 0.00 0.00 29.97 31.21 3ir1 h ARG 83 CO 0.12 1.00 -0.23 -1.35 -1.07 0.00 0.00 179.97 178.44 3ir1 h PRO 84 N 0.76 -0.04 -0.15 0.04 0.11 -1.83 -0.26 132.00 130.64 3ir1 h PRO 84 Ca 0.12 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 3ir1 h PRO 84 Cb 0.67 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 3ir1 h PRO 84 CO 0.05 -0.03 -0.18 -0.91 -0.21 0.00 0.00 178.00 176.72 3ir1 h ASN 85 N -0.04 0.24 -0.23 -2.05 2.35 -1.83 -0.27 115.58 113.74 3ir1 h ASN 85 Ca 0.32 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.90 3ir1 h ASN 85 Cb 0.54 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 3ir1 h ASN 85 CO -0.74 0.43 -0.30 -0.07 -1.65 0.00 0.00 177.43 175.10 3ir1 h LEU 86 N 0.23 0.66 -1.26 1.61 3.38 -1.39 -1.66 115.31 116.89 3ir1 h LEU 86 Ca 0.04 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 3ir1 h LEU 86 Cb 0.45 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3ir1 h LEU 86 CO 0.03 1.03 0.07 0.00 0.09 0.00 0.00 178.44 179.66 3ir1 h ALA 87 N 0.65 1.41 0.13 1.53 0.00 -0.73 -0.03 119.26 122.22 3ir1 h ALA 87 Ca 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ir1 h ALA 87 Cb 0.87 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ir1 h ALA 87 CO 0.07 0.43 -0.06 1.25 0.00 0.00 0.00 179.25 180.93 3ir1 h LEU 88 N 0.56 -0.15 -1.18 0.00 6.46 -0.92 -1.80 115.31 118.28 3ir1 h LEU 88 Ca 0.13 -0.25 -0.04 0.00 -0.12 0.00 0.00 57.88 57.59 3ir1 h LEU 88 Cb 0.25 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 3ir1 h LEU 88 CO 0.00 0.18 0.10 0.00 -0.62 0.00 0.00 178.44 178.10 3ir1 h ALA 89 N 0.33 1.34 0.00 1.25 0.00 -1.03 -2.15 119.26 118.99 3ir1 h ALA 89 Ca -0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3ir1 h ALA 89 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ir1 h ALA 89 CO 0.03 0.47 -0.24 1.49 0.00 0.00 0.00 179.25 181.00 3ir1 h GLU 90 N 0.65 0.00 0.00 0.00 4.22 -0.98 -3.47 114.58 115.01 3ir1 h GLU 90 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.59 3ir1 h GLU 90 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3ir1 h GLU 90 CO -0.00 0.24 0.00 0.41 -2.18 0.00 0.00 179.01 177.48 3ir1 n GLY 91 N -0.26 2.11 0.36 1.92 0.00 -0.81 -4.96 105.19 103.55 3ir1 n GLY 91 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 3ir1 n GLY 91 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ir1 h GLU 92 N 1.43 0.36 -6.74 1.61 4.81 -1.56 -3.41 114.58 111.08 3ir1 h GLU 92 Ca 0.00 -0.02 -0.68 0.00 -0.13 0.00 0.00 59.36 58.53 3ir1 h GLU 92 Cb 0.00 -0.08 -0.19 0.00 0.63 0.00 0.00 28.75 29.11 3ir1 h GLU 92 CO 0.00 0.24 -0.81 -0.51 -0.73 0.00 0.00 179.01 177.20 3ir1 s LEU 93 N -9.30 2.66 -0.05 1.64 1.43 -0.98 -4.90 118.68 109.18 3ir1 s LEU 93 Ca -0.07 -0.58 0.17 0.00 -1.03 0.00 0.00 54.13 52.62 3ir1 s LEU 93 Cb 0.20 -1.51 -0.22 0.00 0.03 0.00 0.00 46.19 44.69 3ir1 s LEU 93 CO 0.75 0.18 0.49 0.47 0.23 0.00 0.00 176.35 178.47 3ir1 n ASP 94 N 0.80 0.44 -3.56 2.29 8.00 -0.07 -4.59 116.55 119.85 3ir1 n ASP 94 Ca -0.16 0.20 -0.17 0.00 0.71 0.00 0.00 54.79 55.37 3ir1 n ASP 94 Cb 0.53 0.70 -0.06 0.00 -0.02 0.00 0.00 41.12 42.27 3ir1 n ASP 94 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3ir1 s ILE 95 N -2.83 0.00 0.12 0.53 2.07 -1.10 -4.45 121.20 115.54 3ir1 s ILE 95 Ca -0.06 -0.03 0.05 0.00 -1.41 0.00 0.00 60.65 59.20 3ir1 s ILE 95 Cb 0.09 -0.96 -0.04 0.00 0.13 0.00 0.00 42.46 41.67 3ir1 s ILE 95 CO 0.83 -0.02 -0.13 0.54 -1.91 0.00 0.00 174.94 174.26 3ir1 s ASN 96 N -0.85 1.88 -0.28 4.50 2.20 -0.73 -0.84 114.94 120.83 3ir1 s ASN 96 Ca -0.09 -0.82 -0.04 0.00 -0.94 0.00 0.00 52.86 50.97 3ir1 s ASN 96 Cb -0.01 -0.05 0.10 0.00 -2.00 0.00 0.00 41.25 39.28 3ir1 s ASN 96 CO 0.08 -0.18 0.13 -0.69 -2.94 0.00 0.00 177.10 173.50 3ir1 s VAL 97 N -2.27 -0.09 0.00 3.54 1.01 0.07 -1.15 120.40 121.51 3ir1 s VAL 97 Ca 0.09 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3ir1 s VAL 97 Cb -0.04 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.40 3ir1 s VAL 97 CO 0.02 -0.67 0.00 2.22 0.00 0.00 0.00 175.10 176.67 3ir1 n PHE 98 N 5.26 0.00 -4.40 5.22 1.16 -1.26 -3.73 117.46 119.71 3ir1 n PHE 98 Ca -0.06 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.32 3ir1 n PHE 98 Cb 0.43 0.01 -0.10 0.00 -1.61 0.00 0.00 39.48 38.20 3ir1 n PHE 98 CO 0.00 0.00 0.00 1.14 -1.87 0.00 0.00 176.76 176.03 3ir1 s GLN 99 N 0.00 1.52 0.38 3.97 -2.07 -1.26 -4.92 119.66 117.27 3ir1 s GLN 99 Ca 0.00 -1.80 0.07 0.00 -1.82 0.00 0.00 55.36 51.81 3ir1 s GLN 99 Cb 0.00 -0.82 -0.01 0.00 -1.09 0.00 0.00 33.01 31.10 3ir1 s GLN 99 CO 0.00 -0.12 0.48 -3.38 -1.32 0.00 0.00 175.29 170.95 3ir1 s HIS 100 N -3.30 2.92 0.19 9.60 -3.43 -1.26 -0.74 115.29 119.27 3ir1 s HIS 100 Ca 0.33 -0.33 -0.12 0.00 -0.80 0.00 0.00 55.06 54.13 3ir1 s HIS 100 Cb 0.07 -2.14 0.13 0.00 -1.43 0.00 0.00 32.58 29.21 3ir1 s HIS 100 CO 0.12 -0.16 1.83 -0.22 -2.00 0.00 0.00 174.74 174.32 3ir1 h LYS 101 N 0.86 0.72 -0.61 -0.38 3.64 -1.82 -1.84 116.57 117.13 3ir1 h LYS 101 Ca -0.43 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 58.94 3ir1 h LYS 101 Cb 1.27 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 3ir1 h LYS 101 CO 0.51 0.47 0.41 -1.35 -2.27 0.00 0.00 179.45 177.22 3ir1 h PRO 102 N 0.74 0.72 -0.11 1.90 0.11 -1.96 0.21 132.00 133.61 3ir1 h PRO 102 Ca 0.24 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.24 3ir1 h PRO 102 Cb 0.01 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 30.95 3ir1 h PRO 102 CO -0.09 0.48 -0.17 -0.92 -0.21 0.00 0.00 178.00 177.09 3ir1 h TYR 103 N 0.74 0.38 -0.21 0.65 5.03 -1.85 -1.57 116.97 120.14 3ir1 h TYR 103 Ca 0.24 -0.13 0.05 0.00 2.58 0.00 0.00 58.73 61.47 3ir1 h TYR 103 Cb 0.05 -0.07 -0.05 0.00 1.55 0.00 0.00 36.73 38.20 3ir1 h TYR 103 CO -0.00 0.77 -0.12 1.25 -1.32 0.00 0.00 178.16 178.74 3ir1 h LEU 104 N -0.12 -0.39 -0.78 2.82 6.46 -0.85 0.19 115.31 122.64 3ir1 h LEU 104 Ca 0.01 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 3ir1 h LEU 104 Cb 0.73 0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.83 3ir1 h LEU 104 CO 0.04 -0.15 0.49 0.44 -0.62 0.00 0.00 178.44 178.63 3ir1 h ASP 105 N -0.10 0.92 -0.07 1.25 3.32 -0.58 0.30 116.42 121.47 3ir1 h ASP 105 Ca 0.12 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3ir1 h ASP 105 Cb 0.28 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3ir1 h ASP 105 CO -0.28 0.70 0.02 0.44 -1.72 0.00 0.00 179.24 178.41 3ir1 h ASP 106 N 1.07 0.10 -0.42 6.45 5.19 -0.64 -2.69 116.42 125.48 3ir1 h ASP 106 Ca 0.28 -0.19 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 3ir1 h ASP 106 Cb -0.07 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 3ir1 h ASP 106 CO -0.06 0.26 0.13 0.15 -3.12 0.00 0.00 179.24 176.60 3ir1 h PHE 107 N -0.07 0.68 -0.66 4.55 3.04 -0.36 -1.86 116.94 122.26 3ir1 h PHE 107 Ca 0.02 -0.07 0.04 0.00 3.98 0.00 0.00 57.97 61.94 3ir1 h PHE 107 Cb 0.19 -0.20 -0.05 0.00 2.56 0.00 0.00 35.95 38.46 3ir1 h PHE 107 CO -0.01 0.62 0.40 0.87 -2.02 0.00 0.00 178.31 178.17 3ir1 h LYS 108 N 0.54 0.74 0.30 1.11 1.57 -0.97 -0.19 116.57 119.68 3ir1 h LYS 108 Ca 0.13 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3ir1 h LYS 108 Cb 0.27 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3ir1 h LYS 108 CO -0.00 0.49 -0.15 -0.22 -0.57 0.00 0.00 179.45 179.00 3ir1 h LYS 109 N 0.76 -0.39 -0.76 3.15 3.64 -1.40 0.50 116.57 122.08 3ir1 h LYS 109 Ca 0.28 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.76 3ir1 h LYS 109 Cb 0.08 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 3ir1 h LYS 109 CO -0.13 -0.08 0.50 1.49 -2.27 0.00 0.00 179.45 178.96 3ir1 h GLU 110 N -0.72 0.72 -0.23 1.90 4.81 -1.20 -2.69 114.58 117.17 3ir1 h GLU 110 Ca -0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3ir1 h GLU 110 Cb 0.49 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3ir1 h GLU 110 CO 0.07 0.48 0.00 0.72 -0.73 0.00 0.00 179.01 179.54 3ir1 n HIS 111 N -4.49 0.30 -3.67 0.92 8.25 -0.09 -5.03 115.22 111.41 3ir1 n HIS 111 Ca 0.12 -0.28 -0.24 0.00 -0.26 0.00 0.00 57.72 57.06 3ir1 n HIS 111 Cb 0.28 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.38 3ir1 n HIS 111 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3ir1 n ASN 112 N 0.69 -5.41 -4.41 0.41 3.02 0.17 -4.99 115.26 104.74 3ir1 n ASN 112 Ca 0.11 -0.85 -0.32 0.00 -0.03 0.00 0.00 54.58 53.49 3ir1 n ASN 112 Cb 0.39 -2.64 -0.14 0.00 -0.61 0.00 0.00 39.78 36.79 3ir1 n ASN 112 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ir1 s LEU 113 N -5.34 2.54 -1.32 3.41 1.43 -0.86 -5.04 118.68 113.50 3ir1 s LEU 113 Ca 0.14 -0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 52.85 3ir1 s LEU 113 Cb -0.06 -1.50 0.14 0.00 0.03 0.00 0.00 46.19 44.79 3ir1 s LEU 113 CO 0.87 0.31 2.01 0.47 0.23 0.00 0.00 176.35 180.24 3ir1 n ASP 114 N 2.55 5.33 -4.38 2.29 8.00 -1.26 -4.86 116.55 124.23 3ir1 n ASP 114 Ca -0.17 -3.06 -0.22 0.00 0.71 0.00 0.00 54.79 52.05 3ir1 n ASP 114 Cb 0.52 -1.49 -0.11 0.00 -0.02 0.00 0.00 41.12 40.02 3ir1 n ASP 114 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3ir1 s ILE 115 N 0.65 2.00 0.06 0.53 -4.36 -1.26 -1.40 121.20 117.41 3ir1 s ILE 115 Ca 0.43 -2.12 -0.10 0.00 -0.26 0.00 0.00 60.65 58.60 3ir1 s ILE 115 Cb 0.11 -2.03 0.01 0.00 1.25 0.00 0.00 42.46 41.80 3ir1 s ILE 115 CO -0.02 -0.39 0.22 0.28 0.24 0.00 0.00 174.94 175.27 3ir1 s THR 116 N -2.36 0.11 0.55 8.37 -1.32 0.21 -4.80 115.64 116.40 3ir1 s THR 116 Ca 0.21 -0.93 -0.16 0.00 -1.21 0.00 0.00 61.69 59.61 3ir1 s THR 116 Cb -0.04 -1.04 -0.06 0.00 -1.51 0.00 0.00 72.50 69.84 3ir1 s THR 116 CO 0.09 -0.51 1.01 -1.83 -2.21 0.00 0.00 174.62 171.17 3ir1 s GLU 117 N -2.96 3.73 0.11 7.08 1.03 -1.26 -1.60 118.70 124.82 3ir1 s GLU 117 Ca -0.02 1.01 0.00 0.00 0.03 0.00 0.00 54.97 55.99 3ir1 s GLU 117 Cb 0.01 -2.10 0.00 0.00 -0.80 0.00 0.00 34.13 31.24 3ir1 s GLU 117 CO -0.06 -0.46 0.00 0.28 -1.33 0.00 0.00 175.26 173.69 3ir1 n VAL 118 N -1.83 1.02 -3.95 1.83 0.31 -0.16 -4.90 118.33 110.65 3ir1 n VAL 118 Ca 0.07 0.34 -0.08 0.00 -0.01 0.00 0.00 64.34 64.66 3ir1 n VAL 118 Cb 0.54 -1.44 -0.09 0.00 -0.91 0.00 0.00 33.84 31.94 3ir1 n VAL 118 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 3ir1 s PHE 119 N -1.90 0.28 0.46 3.52 -0.12 -1.26 -4.97 117.98 113.99 3ir1 s PHE 119 Ca 0.00 -0.72 -0.03 0.00 -0.05 0.00 0.00 56.93 56.13 3ir1 s PHE 119 Cb 0.00 -0.18 -0.02 0.00 -0.63 0.00 0.00 43.02 42.18 3ir1 s PHE 119 CO 0.00 -0.45 0.72 -0.65 -0.05 0.00 0.00 175.22 174.79 3ir1 s GLN 120 N -3.61 3.33 0.08 1.99 -0.21 -1.26 -0.70 119.66 119.28 3ir1 s GLN 120 Ca 0.03 -0.11 0.02 0.00 0.02 0.00 0.00 55.36 55.33 3ir1 s GLN 120 Cb 0.05 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.55 3ir1 s GLN 120 CO -0.09 -0.21 -0.07 0.14 -2.12 0.00 0.00 175.29 172.94 3ir1 s VAL 121 N -2.64 0.63 0.14 1.09 -7.23 -0.67 -4.78 120.40 106.95 3ir1 s VAL 121 Ca 0.47 -1.73 -0.34 0.00 -1.81 0.00 0.00 61.98 58.57 3ir1 s VAL 121 Cb -0.10 -1.43 -0.13 0.00 0.56 0.00 0.00 36.38 35.27 3ir1 s VAL 121 CO 0.41 -0.77 1.62 -2.65 -0.31 0.00 0.00 175.10 173.40 3ir1 n PRO 122 N 0.31 2.20 -5.02 4.82 -0.02 -1.26 -4.29 135.00 131.73 3ir1 n PRO 122 Ca -0.15 0.79 -0.28 0.00 -2.02 0.00 0.00 63.50 61.85 3ir1 n PRO 122 Cb 0.59 -2.58 -0.16 0.00 -0.02 0.00 0.00 33.50 31.34 3ir1 n PRO 122 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ir1 s THR 123 N 1.29 1.67 -0.18 3.45 2.01 0.32 -4.91 115.64 119.30 3ir1 s THR 123 Ca 0.80 -0.88 -0.29 0.00 0.31 0.00 0.00 61.69 61.63 3ir1 s THR 123 Cb -0.67 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 3ir1 s THR 123 CO 0.39 0.47 1.38 0.00 -0.69 0.00 0.00 174.62 176.17 3ir1 s ALA 124 N -0.28 3.54 0.69 7.40 0.00 -1.26 -0.56 121.76 131.29 3ir1 s ALA 124 Ca 0.02 0.45 -0.16 0.00 0.00 0.00 0.00 51.96 52.28 3ir1 s ALA 124 Cb -0.10 -3.70 0.01 0.00 0.00 0.00 0.00 23.12 19.33 3ir1 s ALA 124 CO 0.01 -1.44 1.18 -1.25 0.00 0.00 0.00 175.76 174.27 3ir1 s PRO 125 N 3.88 2.46 0.28 0.00 0.04 -1.26 -3.89 135.00 136.51 3ir1 s PRO 125 Ca 0.60 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 63.04 3ir1 s PRO 125 Cb -0.23 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 3ir1 s PRO 125 CO 0.20 -1.57 1.05 -1.17 0.04 0.00 0.00 177.00 175.55 3ir1 s LEU 126 N -4.86 4.53 0.02 -3.56 2.96 -1.26 -3.88 118.68 112.63 3ir1 s LEU 126 Ca 0.73 2.15 -0.08 0.00 -0.22 0.00 0.00 54.13 56.71 3ir1 s LEU 126 Cb -0.27 -3.69 0.00 0.00 0.50 0.00 0.00 46.19 42.73 3ir1 s LEU 126 CO 0.42 -0.09 0.16 -0.83 -1.32 0.00 0.00 176.35 174.69 3ir1 s GLY 127 N -1.05 0.05 -0.34 7.98 0.00 -1.17 -1.70 107.32 111.09 3ir1 s GLY 127 Ca 0.45 -0.22 -0.15 0.00 0.00 0.00 0.00 44.72 44.81 3ir1 s GLY 127 CO 0.37 -0.37 0.33 -2.27 0.00 0.00 0.00 173.10 171.16 3ir1 s LEU 128 N -1.75 4.42 0.27 0.66 1.98 -0.21 -1.26 118.68 122.80 3ir1 s LEU 128 Ca -0.10 -0.23 0.07 0.00 -2.89 0.00 0.00 54.13 50.98 3ir1 s LEU 128 Cb -0.04 -2.30 -0.03 0.00 0.66 0.00 0.00 46.19 44.48 3ir1 s LEU 128 CO -0.01 -0.30 0.20 -0.31 -1.89 0.00 0.00 176.35 174.04 3ir1 s TYR 129 N 1.95 3.05 0.19 5.38 2.02 0.19 -0.47 117.35 129.67 3ir1 s TYR 129 Ca 0.11 -0.15 -0.31 0.00 -0.37 0.00 0.00 57.07 56.34 3ir1 s TYR 129 Cb -0.17 -1.46 -0.10 0.00 -0.40 0.00 0.00 41.96 39.83 3ir1 s TYR 129 CO 0.11 0.46 1.54 -2.14 -1.57 0.00 0.00 175.55 173.95 3ir1 s PRO 130 N -3.86 4.22 0.00 -1.71 0.02 -1.26 -1.38 135.00 131.03 3ir1 s PRO 130 Ca 0.34 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.72 3ir1 s PRO 130 Cb -0.07 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3ir1 s PRO 130 CO 0.25 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 3ir1 n GLY 131 N 3.27 1.01 0.12 0.52 0.00 0.62 -4.70 105.19 106.02 3ir1 n GLY 131 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 3ir1 n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ir1 h LYS 132 N 0.00 0.00 -5.84 1.61 1.57 0.45 -3.43 116.57 110.93 3ir1 h LYS 132 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 3ir1 h LYS 132 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 3ir1 h LYS 132 CO 0.00 0.70 -0.32 -0.51 -0.57 0.00 0.00 179.45 178.75 3ir1 s LEU 133 N -7.31 4.44 0.00 2.94 1.43 -0.77 -5.01 118.68 114.40 3ir1 s LEU 133 Ca -0.00 0.74 0.19 0.00 -1.03 0.00 0.00 54.13 54.03 3ir1 s LEU 133 Cb 0.12 -2.36 0.18 0.00 0.03 0.00 0.00 46.19 44.16 3ir1 s LEU 133 CO 0.77 0.36 1.12 0.29 0.23 0.00 0.00 176.35 179.12 3ir1 n LYS 134 N 1.92 1.71 -3.80 1.70 4.01 -1.26 -4.51 118.16 117.93 3ir1 n LYS 134 Ca -0.17 -1.69 -0.13 0.00 -0.51 0.00 0.00 58.31 55.82 3ir1 n LYS 134 Cb 0.53 -1.37 -0.11 0.00 -0.51 0.00 0.00 35.03 33.58 3ir1 n LYS 134 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3ir1 s SER 135 N -1.53 -0.20 0.47 4.39 0.15 -1.26 -4.90 113.70 110.83 3ir1 s SER 135 Ca 0.23 0.30 0.15 0.00 0.70 0.00 0.00 55.95 57.33 3ir1 s SER 135 Cb 0.16 0.42 1.13 0.00 -1.71 0.00 0.00 66.02 66.02 3ir1 s SER 135 CO 0.24 -0.21 2.06 -0.07 1.20 0.00 0.00 173.24 176.45 3ir1 h LEU 136 N 5.10 0.21 -2.39 3.45 3.38 -1.94 0.12 115.31 123.25 3ir1 h LEU 136 Ca -0.27 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.70 3ir1 h LEU 136 Cb 1.19 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 3ir1 h LEU 136 CO 0.37 0.14 0.03 1.05 0.09 0.00 0.00 178.44 180.12 3ir1 h GLU 137 N 0.24 0.00 -0.00 1.13 -0.00 -2.02 -2.19 114.58 111.74 3ir1 h GLU 137 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.52 3ir1 h GLU 137 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.06 3ir1 h GLU 137 CO -0.03 0.00 -0.01 0.39 -0.00 0.00 0.00 179.01 179.36 3ir1 n GLU 138 N -3.92 0.85 -1.09 1.06 1.02 0.03 -4.90 120.64 113.69 3ir1 n GLU 138 Ca -0.02 -0.09 -0.33 0.00 -0.02 0.00 0.00 57.16 56.69 3ir1 n GLU 138 Cb 0.11 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.16 3ir1 n GLU 138 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3ir1 n VAL 139 N -1.00 1.95 -3.89 2.62 0.24 -0.83 -5.01 118.33 112.42 3ir1 n VAL 139 Ca 0.20 -0.20 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 3ir1 n VAL 139 Cb 0.18 -1.18 -0.02 0.00 -1.47 0.00 0.00 33.84 31.35 3ir1 n VAL 139 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3ir1 s LYS 140 N -4.10 1.80 -0.04 7.34 -2.85 -1.26 -5.06 119.74 115.57 3ir1 s LYS 140 Ca 0.73 -1.12 -0.36 0.00 -1.00 0.00 0.00 55.97 54.21 3ir1 s LYS 140 Cb -0.29 0.58 -0.14 0.00 -2.06 0.00 0.00 37.83 35.92 3ir1 s LYS 140 CO 0.51 -0.81 1.66 -3.47 0.10 0.00 0.00 175.35 173.34 3ir1 n ASP 141 N -0.60 2.70 0.00 0.03 -0.08 -1.26 -1.06 116.55 116.29 3ir1 n ASP 141 Ca -0.04 1.06 0.00 0.00 -1.51 0.00 0.00 54.79 54.30 3ir1 n ASP 141 Cb 0.60 -1.29 0.00 0.00 2.34 0.00 0.00 41.12 42.77 3ir1 n ASP 141 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ir1 n GLY 142 N 3.70 0.77 3.69 0.27 0.00 -0.72 -5.01 105.19 107.89 3ir1 n GLY 142 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3ir1 n GLY 142 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ir1 n SER 143 N 0.00 2.32 -4.85 1.61 7.64 -0.22 -4.25 113.62 115.87 3ir1 n SER 143 Ca 0.00 1.07 -0.37 0.00 1.01 0.00 0.00 58.87 60.57 3ir1 n SER 143 Cb 0.00 -1.49 -0.06 0.00 -1.01 0.00 0.00 64.21 61.65 3ir1 n SER 143 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ir1 s THR 144 N -1.24 5.29 -0.08 0.44 -4.23 -1.26 -1.18 115.64 113.38 3ir1 s THR 144 Ca 0.63 0.50 0.01 0.00 -1.18 0.00 0.00 61.69 61.65 3ir1 s THR 144 Cb -0.50 -3.55 0.02 0.00 1.34 0.00 0.00 72.50 69.81 3ir1 s THR 144 CO 0.56 0.58 -0.09 -0.69 -0.54 0.00 0.00 174.62 174.44 3ir1 s VAL 145 N -0.89 0.99 0.22 2.29 1.01 -0.31 -2.23 120.40 121.47 3ir1 s VAL 145 Ca 0.19 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 3ir1 s VAL 145 Cb -0.14 -0.97 -0.08 0.00 0.00 0.00 0.00 36.38 35.19 3ir1 s VAL 145 CO 0.08 0.34 0.65 -0.94 0.00 0.00 0.00 175.10 175.23 3ir1 s SER 146 N 1.20 6.88 -0.01 3.32 1.04 -0.30 0.47 113.70 126.31 3ir1 s SER 146 Ca -0.05 1.23 -0.13 0.00 0.48 0.00 0.00 55.95 57.48 3ir1 s SER 146 Cb -0.14 -2.35 0.02 0.00 0.10 0.00 0.00 66.02 63.65 3ir1 s SER 146 CO -0.02 -0.00 0.27 0.00 0.98 0.00 0.00 173.24 174.46 3ir1 s ALA 147 N -1.63 -0.68 0.55 5.32 0.00 0.16 -1.61 121.76 123.88 3ir1 s ALA 147 Ca 0.44 0.23 -0.20 0.00 0.00 0.00 0.00 51.96 52.43 3ir1 s ALA 147 Cb -0.14 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.00 3ir1 s ALA 147 CO 0.20 -0.25 1.22 -1.25 0.00 0.00 0.00 175.76 175.68 3ir1 s PRO 148 N -1.32 3.20 0.00 0.00 0.04 -1.26 -1.35 135.00 134.31 3ir1 s PRO 148 Ca -0.14 1.87 0.25 0.00 0.04 0.00 0.00 61.00 63.02 3ir1 s PRO 148 Cb -0.06 -2.09 0.38 0.00 0.04 0.00 0.00 34.50 32.77 3ir1 s PRO 148 CO 0.04 -1.03 1.34 0.27 0.04 0.00 0.00 177.00 177.65 3ir1 n ASN 149 N -1.24 2.04 -4.77 6.66 6.94 0.14 -4.10 115.26 120.94 3ir1 n ASN 149 Ca 0.12 -1.54 -0.39 0.00 -0.02 0.00 0.00 54.58 52.75 3ir1 n ASN 149 Cb 0.49 0.19 -0.05 0.00 -2.36 0.00 0.00 39.78 38.05 3ir1 n ASN 149 CO 0.00 0.00 0.00 1.51 -1.03 0.00 0.00 177.26 177.74 3ir1 s ASP 150 N -2.26 7.21 0.18 0.53 -4.77 -1.26 -4.85 116.67 111.45 3ir1 s ASP 150 Ca 0.26 2.07 -0.23 0.00 -3.30 0.00 0.00 52.55 51.35 3ir1 s ASP 150 Cb 0.19 -2.60 0.08 0.00 -1.09 0.00 0.00 42.92 39.50 3ir1 s ASP 150 CO 0.44 -0.17 1.58 1.55 0.70 0.00 0.00 175.17 179.28 3ir1 h PRO 151 N 3.41 -0.20 -0.61 2.11 0.13 -1.98 0.73 132.00 135.58 3ir1 h PRO 151 Ca -0.47 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 3ir1 h PRO 151 Cb 1.21 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 3ir1 h PRO 151 CO 0.65 -0.13 0.34 0.66 -0.23 0.00 0.00 178.00 179.29 3ir1 h SER 152 N -0.21 0.75 0.64 1.44 4.64 -1.91 -1.60 113.55 117.29 3ir1 h SER 152 Ca 0.20 -0.05 -0.27 0.00 -0.47 0.00 0.00 61.79 61.20 3ir1 h SER 152 Cb 0.55 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3ir1 h SER 152 CO -0.64 0.60 -1.31 0.78 -0.87 0.00 0.00 176.83 175.38 3ir1 h ASN 153 N 0.85 0.31 -0.76 4.97 2.35 -1.86 -3.29 115.58 118.15 3ir1 h ASN 153 Ca 0.22 -0.37 -0.04 0.00 -0.55 0.00 0.00 56.30 55.56 3ir1 h ASN 153 Cb 0.01 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3ir1 h ASN 153 CO -0.04 1.30 0.33 0.15 -1.65 0.00 0.00 177.43 177.52 3ir1 h PHE 154 N 0.05 1.14 -0.98 1.19 3.57 -0.59 -2.21 116.94 119.12 3ir1 h PHE 154 Ca -0.15 -0.07 0.14 0.00 3.53 0.00 0.00 57.97 61.42 3ir1 h PHE 154 Cb 1.95 -0.35 -0.09 0.00 2.79 0.00 0.00 35.95 40.26 3ir1 h PHE 154 CO 0.05 0.85 0.62 0.00 -2.23 0.00 0.00 178.31 177.59 3ir1 h ALA 155 N 1.25 1.64 -0.43 2.41 0.00 -1.36 -0.30 119.26 122.47 3ir1 h ALA 155 Ca 0.26 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3ir1 h ALA 155 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3ir1 h ALA 155 CO -0.03 0.08 0.20 0.00 0.00 0.00 0.00 179.25 179.50 3ir1 h ARG 156 N 0.86 0.60 -0.31 0.00 3.08 -1.48 -1.90 114.38 115.22 3ir1 h ARG 156 Ca 0.50 -0.07 -0.16 0.00 0.07 0.00 0.00 59.98 60.32 3ir1 h ARG 156 Cb 0.65 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 3ir1 h ARG 156 CO -0.27 0.48 -0.43 0.28 -1.07 0.00 0.00 179.97 178.96 3ir1 h VAL 157 N 0.60 1.28 -0.68 2.04 2.07 -1.01 -1.91 116.25 118.64 3ir1 h VAL 157 Ca 0.15 -1.61 -0.06 0.00 0.82 0.00 0.00 66.70 66.00 3ir1 h VAL 157 Cb 0.08 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3ir1 h VAL 157 CO -0.02 0.53 0.18 -0.07 0.02 0.00 0.00 177.57 178.21 3ir1 h LEU 158 N 0.63 1.02 -0.93 2.57 3.38 -1.12 -0.22 115.31 120.63 3ir1 h LEU 158 Ca 0.04 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3ir1 h LEU 158 Cb 1.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3ir1 h LEU 158 CO 0.10 0.98 0.10 0.58 0.09 0.00 0.00 178.44 180.29 3ir1 h VAL 159 N 1.01 1.24 -0.30 1.22 2.07 -1.28 -1.13 116.25 119.08 3ir1 h VAL 159 Ca 0.22 -0.91 -0.12 0.00 0.82 0.00 0.00 66.70 66.71 3ir1 h VAL 159 Cb 0.35 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3ir1 h VAL 159 CO -0.00 0.33 -0.33 -0.03 0.02 0.00 0.00 177.57 177.57 3ir1 h MET 160 N 0.85 0.65 -0.02 1.57 1.85 -0.90 -1.97 114.93 116.96 3ir1 h MET 160 Ca 0.18 -0.30 -0.11 0.00 -0.61 0.00 0.00 59.70 58.86 3ir1 h MET 160 Cb 0.36 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.36 3ir1 h MET 160 CO 0.01 0.89 -0.49 -0.07 -0.40 0.00 0.00 176.91 176.85 3ir1 h LEU 161 N 0.55 0.06 -0.32 3.39 3.38 -0.66 -2.05 115.31 119.66 3ir1 h LEU 161 Ca 0.06 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 3ir1 h LEU 161 Cb 0.83 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3ir1 h LEU 161 CO 0.07 0.54 -0.45 -0.78 0.09 0.00 0.00 178.44 177.91 3ir1 h ASP 162 N 0.05 0.95 0.22 -0.43 3.58 -0.92 -0.72 116.42 119.15 3ir1 h ASP 162 Ca -0.00 -0.50 -0.07 0.00 0.42 0.00 0.00 57.03 56.87 3ir1 h ASP 162 Cb 0.88 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 3ir1 h ASP 162 CO 0.07 1.27 -0.29 -0.33 -2.88 0.00 0.00 179.24 177.07 3ir1 h GLU 163 N 0.66 0.13 0.00 0.28 5.08 -1.14 -1.72 114.58 117.87 3ir1 h GLU 163 Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3ir1 h GLU 163 Cb 1.05 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3ir1 h GLU 163 CO 0.11 0.41 -0.00 1.28 -1.00 0.00 0.00 179.01 179.81 3ir1 n LEU 164 N -4.15 0.07 -0.04 1.33 4.77 -0.79 -4.91 117.00 113.28 3ir1 n LEU 164 Ca -0.01 0.50 -0.01 0.00 -0.03 0.00 0.00 56.01 56.46 3ir1 n LEU 164 Cb 0.37 -0.48 -0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3ir1 n LEU 164 CO 0.39 -0.01 -0.01 0.61 -1.33 0.00 0.00 177.39 177.04 3ir1 n GLY 165 N 1.48 0.48 0.12 -0.72 0.00 -0.65 -4.91 105.19 100.98 3ir1 n GLY 165 Ca 0.07 -0.32 -0.00 0.00 0.00 0.00 0.00 46.02 45.77 3ir1 n GLY 165 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3ir1 h TRP 166 N 0.00 0.00 -4.51 1.61 4.06 -1.38 -3.44 115.95 112.29 3ir1 h TRP 166 Ca -0.01 0.00 -0.24 0.00 2.06 0.00 0.00 58.89 60.70 3ir1 h TRP 166 Cb 0.09 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.11 3ir1 h TRP 166 CO 0.05 0.64 -0.55 0.96 -3.56 0.00 0.00 178.44 175.98 3ir1 s ILE 167 N -2.89 0.00 -0.14 1.49 -4.36 -1.12 -1.05 121.20 113.13 3ir1 s ILE 167 Ca 0.03 -1.94 -0.01 0.00 -0.26 0.00 0.00 60.65 58.47 3ir1 s ILE 167 Cb 0.08 -2.47 0.04 0.00 1.25 0.00 0.00 42.46 41.36 3ir1 s ILE 167 CO 0.77 0.00 -0.01 -0.75 0.24 0.00 0.00 174.94 175.19 3ir1 s LYS 168 N -4.07 0.93 0.33 0.37 2.47 0.72 -4.18 119.74 116.31 3ir1 s LYS 168 Ca 0.37 -0.25 -0.21 0.00 -1.56 0.00 0.00 55.97 54.32 3ir1 s LYS 168 Cb 0.06 -1.65 -0.10 0.00 -1.46 0.00 0.00 37.83 34.68 3ir1 s LYS 168 CO 0.13 -0.44 0.85 -0.51 0.16 0.00 0.00 175.35 175.55 3ir1 s LEU 169 N 1.82 4.17 0.47 5.43 1.43 -1.26 -0.03 118.68 130.72 3ir1 s LEU 169 Ca 0.02 1.58 -0.24 0.00 -1.03 0.00 0.00 54.13 54.46 3ir1 s LEU 169 Cb -0.15 -4.08 -0.07 0.00 0.03 0.00 0.00 46.19 41.92 3ir1 s LEU 169 CO -0.07 -0.16 1.42 -0.54 0.23 0.00 0.00 176.35 177.23 3ir1 s LYS 170 N -2.55 3.56 0.62 1.70 1.02 0.42 -4.62 119.74 119.89 3ir1 s LYS 170 Ca 0.53 2.39 -0.17 0.00 0.02 0.00 0.00 55.97 58.73 3ir1 s LYS 170 Cb -0.14 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 3ir1 s LYS 170 CO 0.19 -0.91 1.16 -0.51 -0.92 0.00 0.00 175.35 174.35 3ir1 s ASP 171 N -0.59 5.14 0.00 2.83 1.01 -1.26 -3.59 116.67 120.21 3ir1 s ASP 171 Ca 0.63 2.20 0.00 0.00 0.71 0.00 0.00 52.55 56.10 3ir1 s ASP 171 Cb -0.43 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 40.92 3ir1 s ASP 171 CO 0.55 -1.61 0.00 0.61 0.21 0.00 0.00 175.17 174.92 3ir1 n GLY 172 N 0.07 0.39 3.86 0.21 0.00 -1.26 -5.01 105.19 103.45 3ir1 n GLY 172 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3ir1 n GLY 172 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ir1 s ILE 173 N -2.03 4.67 -0.29 -0.61 -5.25 -1.24 -4.99 121.20 111.46 3ir1 s ILE 173 Ca 0.00 0.91 -0.29 0.00 -0.99 0.00 0.00 60.65 60.28 3ir1 s ILE 173 Cb 0.00 -3.78 -0.00 0.00 2.95 0.00 0.00 42.46 41.63 3ir1 s ILE 173 CO 0.00 -0.79 1.36 0.21 -1.79 0.00 0.00 174.94 173.93 3ir1 s ASN 174 N -3.47 6.62 0.42 4.36 3.84 -1.26 -4.90 114.94 120.55 3ir1 s ASN 174 Ca 0.55 1.26 0.09 0.00 0.21 0.00 0.00 52.86 54.98 3ir1 s ASN 174 Cb -0.10 -2.54 0.90 0.00 -0.55 0.00 0.00 41.25 38.96 3ir1 s ASN 174 CO 0.38 -1.12 2.03 1.55 -2.79 0.00 0.00 177.10 177.16 3ir1 h PRO 175 N 9.56 0.37 0.00 0.43 0.13 -1.98 -1.89 132.00 138.62 3ir1 h PRO 175 Ca -0.27 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 3ir1 h PRO 175 Cb 1.11 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 3ir1 h PRO 175 CO 1.03 0.31 -0.03 -0.07 -0.23 0.00 0.00 178.00 179.00 3ir1 h LEU 176 N 0.38 0.00 -2.85 1.56 3.38 -1.93 -2.81 115.31 113.04 3ir1 h LEU 176 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ir1 h LEU 176 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3ir1 h LEU 176 CO -0.01 0.03 -0.07 0.35 0.09 0.00 0.00 178.44 178.84 3ir1 n THR 177 N -3.31 1.58 -1.64 0.22 -2.24 -0.77 -4.74 114.28 103.38 3ir1 n THR 177 Ca -0.02 -1.89 -0.47 0.00 -2.27 0.00 0.00 64.05 59.40 3ir1 n THR 177 Cb 0.17 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 3ir1 n THR 177 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ir1 n ALA 178 N -1.19 0.41 -2.33 6.98 0.00 -0.83 -4.96 120.51 118.60 3ir1 n ALA 178 Ca 0.13 0.44 -0.18 0.00 0.00 0.00 0.00 53.44 53.84 3ir1 n ALA 178 Cb 0.63 -2.20 -0.09 0.00 0.00 0.00 0.00 19.45 17.78 3ir1 n ALA 178 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ir1 s SER 179 N 0.35 1.39 0.52 0.00 1.04 -1.26 -3.89 113.70 111.85 3ir1 s SER 179 Ca 0.73 -1.51 0.22 0.00 0.48 0.00 0.00 55.95 55.88 3ir1 s SER 179 Cb -0.74 0.33 1.33 0.00 0.10 0.00 0.00 66.02 67.04 3ir1 s SER 179 CO 0.48 -0.84 2.03 0.11 0.98 0.00 0.00 173.24 175.99 3ir1 h LYS 180 N 2.27 0.04 0.00 4.02 1.57 -1.99 0.24 116.57 122.73 3ir1 h LYS 180 Ca -0.35 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 3ir1 h LYS 180 Cb 1.25 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 3ir1 h LYS 180 CO 0.54 0.02 -0.04 0.00 -0.57 0.00 0.00 179.45 179.40 3ir1 h ALA 181 N 1.79 1.07 -0.00 3.86 0.00 -1.98 -2.31 119.26 121.68 3ir1 h ALA 181 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ir1 h ALA 181 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3ir1 h ALA 181 CO -0.01 0.05 -0.04 -0.25 0.00 0.00 0.00 179.25 179.00 3ir1 n ASP 182 N -3.24 0.22 -4.65 0.00 8.00 0.86 -4.83 116.55 112.91 3ir1 n ASP 182 Ca -0.01 -0.51 -0.43 0.00 0.71 0.00 0.00 54.79 54.55 3ir1 n ASP 182 Cb 0.23 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.17 3ir1 n ASP 182 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ir1 s ILE 183 N -2.41 4.47 -0.03 0.53 1.01 -0.87 -0.44 121.20 123.46 3ir1 s ILE 183 Ca 0.33 1.73 -0.23 0.00 0.00 0.00 0.00 60.65 62.48 3ir1 s ILE 183 Cb 0.21 -4.29 -0.23 0.00 0.01 0.00 0.00 42.46 38.16 3ir1 s ILE 183 CO 0.44 -0.34 1.07 0.00 0.00 0.00 0.00 174.94 176.11 3ir1 h ALA 184 N 8.09 0.05 -2.92 9.38 0.00 -0.70 -3.45 119.26 129.70 3ir1 h ALA 184 Ca -0.22 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.06 3ir1 h ALA 184 Cb 1.07 0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.61 3ir1 h ALA 184 CO 1.01 0.14 -0.38 -1.21 0.00 0.00 0.00 179.25 178.81 3ir1 s GLU 185 N -3.24 0.32 -1.23 0.00 2.02 -0.76 -5.01 118.70 110.80 3ir1 s GLU 185 Ca -0.15 0.53 -0.10 0.00 0.02 0.00 0.00 54.97 55.28 3ir1 s GLU 185 Cb 0.02 0.05 0.19 0.00 0.10 0.00 0.00 34.13 34.49 3ir1 s GLU 185 CO 0.76 -0.10 1.68 -1.71 0.02 0.00 0.00 175.26 175.91 3ir1 n ASN 186 N 3.57 5.32 -0.28 -0.19 2.85 -1.26 -0.20 115.26 125.07 3ir1 n ASN 186 Ca -0.19 -3.12 0.12 0.00 -0.11 0.00 0.00 54.58 51.29 3ir1 n ASN 186 Cb 0.56 -1.47 0.24 0.00 1.24 0.00 0.00 39.78 40.35 3ir1 n ASN 186 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3ir1 n LEU 187 N 3.89 -0.09 -1.06 1.20 4.77 -1.18 -0.54 117.00 123.99 3ir1 n LEU 187 Ca 0.36 1.35 0.08 0.00 -0.03 0.00 0.00 56.01 57.78 3ir1 n LEU 187 Cb 0.37 -0.49 0.28 0.00 -2.33 0.00 0.00 43.42 41.25 3ir1 n LEU 187 CO 0.74 -1.37 0.74 0.29 -1.33 0.00 0.00 177.39 176.46 3ir1 n LYS 188 N -5.12 3.21 -4.06 3.23 5.02 -0.22 -4.96 118.16 115.26 3ir1 n LYS 188 Ca 0.19 -2.91 -0.29 0.00 -2.02 0.00 0.00 58.31 53.28 3ir1 n LYS 188 Cb 0.62 -1.92 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 3ir1 n LYS 188 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ir1 n ASN 189 N -0.35 -1.07 -4.72 4.39 5.03 0.29 -1.76 115.26 117.07 3ir1 n ASN 189 Ca 0.23 -1.03 -0.42 0.00 0.87 0.00 0.00 54.58 54.23 3ir1 n ASN 189 Cb 0.95 -2.84 -0.03 0.00 -1.02 0.00 0.00 39.78 36.84 3ir1 n ASN 189 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ir1 s ILE 190 N -3.81 3.73 -0.53 2.41 1.01 -1.26 -2.01 121.20 120.75 3ir1 s ILE 190 Ca 0.22 1.31 -0.21 0.00 0.00 0.00 0.00 60.65 61.96 3ir1 s ILE 190 Cb -0.12 -3.84 0.05 0.00 0.01 0.00 0.00 42.46 38.57 3ir1 s ILE 190 CO 0.91 0.14 0.78 -0.54 0.00 0.00 0.00 174.94 176.22 3ir1 s LYS 191 N 0.63 3.22 -0.40 2.79 -0.14 -0.32 -4.98 119.74 120.54 3ir1 s LYS 191 Ca 0.58 -0.59 -0.24 0.00 -1.36 0.00 0.00 55.97 54.36 3ir1 s LYS 191 Cb -0.32 -4.08 0.02 0.00 -1.68 0.00 0.00 37.83 31.77 3ir1 s LYS 191 CO 0.32 -1.35 0.82 0.42 -0.76 0.00 0.00 175.35 174.80 3ir1 s ILE 192 N 3.26 4.66 -0.24 2.17 1.01 -1.26 -1.17 121.20 129.63 3ir1 s ILE 192 Ca 0.22 0.76 -0.18 0.00 0.00 0.00 0.00 60.65 61.45 3ir1 s ILE 192 Cb -0.16 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.00 3ir1 s ILE 192 CO 0.15 -0.58 0.52 -0.69 0.00 0.00 0.00 174.94 174.34 3ir1 s VAL 193 N 3.28 5.08 -0.14 2.92 1.01 0.18 -4.95 120.40 127.78 3ir1 s VAL 193 Ca 0.32 0.91 -0.05 0.00 0.00 0.00 0.00 61.98 63.16 3ir1 s VAL 193 Cb -0.12 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3ir1 s VAL 193 CO 0.20 0.11 0.05 -1.61 0.00 0.00 0.00 175.10 173.85 3ir1 s GLU 194 N 2.11 3.58 0.20 2.72 2.02 -1.26 0.41 118.70 128.48 3ir1 s GLU 194 Ca 0.22 -0.34 -0.01 0.00 0.02 0.00 0.00 54.97 54.86 3ir1 s GLU 194 Cb -0.16 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 3ir1 s GLU 194 CO 0.09 0.48 0.14 -0.51 0.02 0.00 0.00 175.26 175.48 3ir1 s LEU 195 N -0.23 1.14 0.32 1.80 1.02 -0.46 -4.89 118.68 117.39 3ir1 s LEU 195 Ca 0.07 -1.37 -0.29 0.00 0.02 0.00 0.00 54.13 52.56 3ir1 s LEU 195 Cb -0.12 0.42 -0.10 0.00 0.02 0.00 0.00 46.19 46.40 3ir1 s LEU 195 CO 0.02 -0.85 1.40 -1.61 0.02 0.00 0.00 176.35 175.33 3ir1 s GLU 196 N -4.15 4.26 0.32 1.70 2.02 -1.26 -0.68 118.70 120.90 3ir1 s GLU 196 Ca 0.38 2.35 0.10 0.00 0.02 0.00 0.00 54.97 57.81 3ir1 s GLU 196 Cb 0.07 -3.05 0.92 0.00 0.10 0.00 0.00 34.13 32.17 3ir1 s GLU 196 CO 0.12 -0.35 1.69 0.00 0.02 0.00 0.00 175.26 176.73 3ir1 h ALA 197 N 3.74 1.74 0.00 5.21 0.00 -1.93 -0.85 119.26 127.16 3ir1 h ALA 197 Ca -0.49 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3ir1 h ALA 197 Cb 1.23 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3ir1 h ALA 197 CO 0.69 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3ir1 h ALA 198 N 1.78 1.00 -0.04 0.00 0.00 -1.90 -2.94 119.26 117.16 3ir1 h ALA 198 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.57 3ir1 h ALA 198 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3ir1 h ALA 198 CO -0.56 0.00 0.00 1.04 0.00 0.00 0.00 179.25 179.73 3ir1 n GLN 199 N -2.87 1.76 -0.10 0.00 6.02 -0.32 -4.51 117.38 117.35 3ir1 n GLN 199 Ca 0.00 -1.10 -0.10 0.00 -0.01 0.00 0.00 57.00 55.79 3ir1 n GLN 199 Cb 0.23 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 30.00 3ir1 n GLN 199 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3ir1 h LEU 200 N 2.61 0.42 -0.66 1.08 3.38 -1.62 -2.84 115.31 117.69 3ir1 h LEU 200 Ca 0.00 -0.15 0.13 0.00 0.09 0.00 0.00 57.88 57.95 3ir1 h LEU 200 Cb 0.56 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.11 3ir1 h LEU 200 CO 0.00 0.45 0.18 -0.65 0.09 0.00 0.00 178.44 178.51 3ir1 h PRO 201 N 0.37 0.30 -0.20 1.13 0.11 -1.84 -0.28 132.00 131.59 3ir1 h PRO 201 Ca 0.11 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3ir1 h PRO 201 Cb 0.15 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.19 3ir1 h PRO 201 CO -0.01 0.20 0.00 2.89 -0.21 0.00 0.00 178.00 180.86 3ir1 n ARG 202 N -5.10 1.58 0.16 1.05 1.85 -1.18 -2.99 116.66 112.02 3ir1 n ARG 202 Ca 0.11 -0.88 0.13 0.00 -1.00 0.00 0.00 57.85 56.20 3ir1 n ARG 202 Cb 0.36 -1.28 0.32 0.00 -1.05 0.00 0.00 32.46 30.81 3ir1 n ARG 202 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3ir1 h SER 203 N 1.59 0.00 -0.77 2.89 4.64 -0.79 -3.29 113.55 117.82 3ir1 h SER 203 Ca 0.00 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.54 3ir1 h SER 203 Cb 0.36 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 3ir1 h SER 203 CO 0.00 0.00 0.58 0.03 -0.87 0.00 0.00 176.83 176.57 3ir1 h ARG 204 N 0.00 0.00 0.00 4.77 3.08 -1.59 0.15 114.38 120.79 3ir1 h ARG 204 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ir1 h ARG 204 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3ir1 h ARG 204 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3ir1 h ALA 205 N 1.58 1.00 -0.06 0.04 0.00 -1.84 -3.19 119.26 116.79 3ir1 h ALA 205 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3ir1 h ALA 205 Cb 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3ir1 h ALA 205 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3ir1 n ASP 206 N -3.00 2.00 -4.15 0.00 8.00 0.51 -4.87 116.55 115.04 3ir1 n ASP 206 Ca 0.02 -1.51 -0.10 0.00 0.71 0.00 0.00 54.79 53.91 3ir1 n ASP 206 Cb 0.39 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.36 3ir1 n ASP 206 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3ir1 s VAL 207 N -0.88 0.20 0.07 2.53 -7.23 -1.04 -5.03 120.40 109.02 3ir1 s VAL 207 Ca 0.13 -1.90 -0.19 0.00 -1.81 0.00 0.00 61.98 58.21 3ir1 s VAL 207 Cb 0.09 -1.97 -0.10 0.00 0.56 0.00 0.00 36.38 34.96 3ir1 s VAL 207 CO 0.13 -0.55 1.45 0.44 -0.31 0.00 0.00 175.10 176.25 3ir1 h ASP 208 N 2.89 0.44 -4.97 4.85 3.45 -1.80 0.44 116.42 121.72 3ir1 h ASP 208 Ca -0.35 -0.39 -0.18 0.00 0.43 0.00 0.00 57.03 56.54 3ir1 h ASP 208 Cb 1.19 -0.12 -0.21 0.00 -0.56 0.00 0.00 39.33 39.63 3ir1 h ASP 208 CO 0.61 0.73 -0.70 -0.36 -1.57 0.00 0.00 179.24 177.95 3ir1 s PHE 209 N -4.67 0.29 -0.09 4.55 0.08 -0.95 -0.28 117.98 116.92 3ir1 s PHE 209 Ca -0.14 -0.53 0.01 0.00 0.12 0.00 0.00 56.93 56.39 3ir1 s PHE 209 Cb 0.07 -0.20 0.02 0.00 -0.57 0.00 0.00 43.02 42.33 3ir1 s PHE 209 CO 0.76 -0.18 -0.11 0.00 -0.10 0.00 0.00 175.22 175.58 3ir1 s ALA 210 N -1.47 1.32 -0.45 5.36 0.00 -0.48 -1.15 121.76 124.90 3ir1 s ALA 210 Ca -0.15 -0.48 -0.18 0.00 0.00 0.00 0.00 51.96 51.14 3ir1 s ALA 210 Cb -0.10 -0.70 0.04 0.00 0.00 0.00 0.00 23.12 22.35 3ir1 s ALA 210 CO -0.01 -0.08 0.49 0.08 0.00 0.00 0.00 175.76 176.24 3ir1 s VAL 211 N 1.04 5.04 -0.09 0.00 1.01 -0.63 0.55 120.40 127.31 3ir1 s VAL 211 Ca -0.07 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3ir1 s VAL 211 Cb -0.15 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 3ir1 s VAL 211 CO -0.01 -0.54 -0.11 -0.69 0.00 0.00 0.00 175.10 173.75 3ir1 s VAL 212 N 2.23 3.30 0.37 2.92 1.01 -0.39 -4.35 120.40 125.49 3ir1 s VAL 212 Ca 0.12 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.23 3ir1 s VAL 212 Cb -0.18 -2.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.75 3ir1 s VAL 212 CO 0.13 0.56 1.31 0.20 0.00 0.00 0.00 175.10 177.29 3ir1 s ASN 213 N -0.24 6.51 0.21 3.32 -0.87 -1.26 -3.06 114.94 119.55 3ir1 s ASN 213 Ca 0.02 2.67 -0.09 0.00 -1.57 0.00 0.00 52.86 53.90 3ir1 s ASN 213 Cb -0.13 -2.64 0.28 0.00 -0.02 0.00 0.00 41.25 38.74 3ir1 s ASN 213 CO 0.03 -0.72 1.77 1.23 -2.57 0.00 0.00 177.10 176.85 3ir1 h GLY 214 N 2.98 0.96 0.92 0.66 0.00 -1.68 -1.13 103.07 105.79 3ir1 h GLY 214 Ca -0.49 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 46.67 3ir1 h GLY 214 CO 0.64 0.06 0.65 3.45 0.00 0.00 0.00 176.54 181.33 3ir1 h ASN 215 N 0.55 1.08 0.23 0.19 -1.07 -1.92 0.08 115.58 114.73 3ir1 h ASN 215 Ca 0.32 -0.01 -0.21 0.00 0.07 0.00 0.00 56.30 56.46 3ir1 h ASN 215 Cb 0.32 -0.25 0.00 0.00 -2.07 0.00 0.00 38.32 36.32 3ir1 h ASN 215 CO -0.25 0.75 -0.84 1.88 0.07 0.00 0.00 177.43 179.04 3ir1 h TYR 216 N 1.26 0.66 0.07 4.14 0.99 -1.84 -1.87 116.97 120.38 3ir1 h TYR 216 Ca 0.39 -0.32 -0.00 0.00 2.00 0.00 0.00 58.73 60.79 3ir1 h TYR 216 Cb -0.02 -0.09 0.00 0.00 1.00 0.00 0.00 36.73 37.62 3ir1 h TYR 216 CO -0.00 1.12 -0.03 0.00 -0.00 0.00 0.00 178.16 179.25 3ir1 h ALA 217 N 0.78 -0.09 -0.16 3.88 0.00 -0.57 -1.96 119.26 121.14 3ir1 h ALA 217 Ca -0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ir1 h ALA 217 Cb 1.45 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 3ir1 h ALA 217 CO 0.15 -0.53 0.09 0.82 0.00 0.00 0.00 179.25 179.78 3ir1 h ILE 218 N -0.13 1.08 0.00 0.00 1.08 -1.02 -0.55 117.51 117.96 3ir1 h ILE 218 Ca -0.01 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 3ir1 h ILE 218 Cb 0.11 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 3ir1 h ILE 218 CO 0.02 0.07 0.00 -1.54 -0.69 0.00 0.00 178.15 176.01 3ir1 n SER 219 N -4.95 0.00 -0.87 1.72 3.41 -0.71 -2.31 113.62 109.92 3ir1 n SER 219 Ca -0.04 -0.17 0.07 0.00 -0.26 0.00 0.00 58.87 58.47 3ir1 n SER 219 Cb 0.06 -0.20 0.22 0.00 -0.26 0.00 0.00 64.21 64.03 3ir1 n SER 219 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ir1 n SER 220 N -1.20 3.49 0.00 4.04 3.41 -0.75 -4.96 113.62 117.65 3ir1 n SER 220 Ca 0.11 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 3ir1 n SER 220 Cb 0.12 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3ir1 n SER 220 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ir1 n GLY 221 N 0.35 0.50 3.91 5.00 0.00 -0.98 -5.05 105.19 108.92 3ir1 n GLY 221 Ca 0.17 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 3ir1 n GLY 221 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ir1 s MET 222 N -0.52 3.43 -0.01 1.61 -1.94 -0.26 -5.03 119.30 116.59 3ir1 s MET 222 Ca 0.00 0.11 0.07 0.00 -1.71 0.00 0.00 55.69 54.16 3ir1 s MET 222 Cb 0.00 -2.39 -0.02 0.00 2.01 0.00 0.00 34.83 34.43 3ir1 s MET 222 CO 0.00 -0.25 -0.24 0.15 -0.01 0.00 0.00 175.02 174.67 3ir1 s LYS 223 N -4.74 2.11 0.45 2.03 1.02 -1.26 -4.34 119.74 115.01 3ir1 s LYS 223 Ca 0.48 -0.93 0.11 0.00 0.02 0.00 0.00 55.97 55.65 3ir1 s LYS 223 Cb -0.10 -2.09 1.01 0.00 -0.52 0.00 0.00 37.83 36.13 3ir1 s LYS 223 CO 0.44 0.56 2.07 -0.07 -0.92 0.00 0.00 175.35 177.43 3ir1 h LEU 224 N 5.28 0.32 0.00 3.17 3.38 -1.96 -0.34 115.31 125.15 3ir1 h LEU 224 Ca -0.44 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3ir1 h LEU 224 Cb 1.13 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3ir1 h LEU 224 CO 0.47 0.22 0.00 0.35 0.09 0.00 0.00 178.44 179.57 3ir1 n THR 225 N -4.49 0.98 0.67 0.22 -2.24 -1.26 -2.17 114.28 105.99 3ir1 n THR 225 Ca 0.03 0.24 0.12 0.00 -2.27 0.00 0.00 64.05 62.17 3ir1 n THR 225 Cb 0.13 -1.03 0.27 0.00 -2.10 0.00 0.00 70.33 67.60 3ir1 n THR 225 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ir1 n GLU 226 N -1.43 0.23 -2.08 -0.78 1.02 -0.14 -4.90 120.64 112.56 3ir1 n GLU 226 Ca 0.04 0.10 -0.38 0.00 -0.02 0.00 0.00 57.16 56.90 3ir1 n GLU 226 Cb 0.13 -1.67 0.01 0.00 -0.02 0.00 0.00 31.44 29.89 3ir1 n GLU 226 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ir1 s ALA 227 N -3.12 2.99 -0.14 0.62 0.00 -0.92 -4.42 121.76 116.77 3ir1 s ALA 227 Ca 0.08 1.11 0.18 0.00 0.00 0.00 0.00 51.96 53.34 3ir1 s ALA 227 Cb 0.14 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 3ir1 s ALA 227 CO 0.68 -0.90 0.87 1.28 0.00 0.00 0.00 175.76 177.69 3ir1 n LEU 228 N -0.50 0.87 -3.70 0.00 4.77 0.38 -4.89 117.00 113.94 3ir1 n LEU 228 Ca 0.07 0.37 -0.11 0.00 -0.03 0.00 0.00 56.01 56.32 3ir1 n LEU 228 Cb 0.46 0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 3ir1 n LEU 228 CO 0.51 0.08 0.11 0.12 -1.33 0.00 0.00 177.39 176.88 3ir1 s PHE 229 N -3.01 -0.62 0.03 -1.77 5.36 -1.19 -4.99 117.98 111.79 3ir1 s PHE 229 Ca -0.02 1.36 0.07 0.00 -0.96 0.00 0.00 56.93 57.37 3ir1 s PHE 229 Cb 0.09 0.28 -0.03 0.00 -0.34 0.00 0.00 43.02 43.01 3ir1 s PHE 229 CO 0.81 -0.33 -0.18 -0.65 -1.46 0.00 0.00 175.22 173.40 3ir1 s GLN 230 N 1.05 2.10 0.05 10.12 -0.21 -1.26 -1.04 119.66 130.48 3ir1 s GLN 230 Ca -0.07 -0.96 -0.30 0.00 0.02 0.00 0.00 55.36 54.06 3ir1 s GLN 230 Cb -0.06 -2.19 -0.09 0.00 1.00 0.00 0.00 33.01 31.66 3ir1 s GLN 230 CO -0.09 0.55 1.96 -2.00 -2.12 0.00 0.00 175.29 173.59 3ir1 s GLU 231 N -1.31 4.14 0.37 2.91 2.12 -0.69 -4.87 118.70 121.37 3ir1 s GLU 231 Ca 0.14 2.63 0.20 0.00 0.36 0.00 0.00 54.97 58.29 3ir1 s GLU 231 Cb -0.10 -4.09 0.50 0.00 0.26 0.00 0.00 34.13 30.69 3ir1 s GLU 231 CO 0.04 -0.95 1.64 -1.00 -0.54 0.00 0.00 175.26 174.46 3ir1 h PRO 232 N 10.37 0.00 -7.13 4.30 0.13 -1.98 -3.46 132.00 134.24 3ir1 h PRO 232 Ca -0.49 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.09 3ir1 h PRO 232 Cb 1.24 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.55 3ir1 h PRO 232 CO 0.94 0.34 0.30 0.45 -0.23 0.00 0.00 178.00 179.79 3ir1 n SER 233 N -3.31 1.02 -0.00 1.44 2.88 -1.26 -4.95 113.62 109.43 3ir1 n SER 233 Ca 0.01 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 3ir1 n SER 233 Cb 0.57 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 3ir1 n SER 233 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3ir1 n PHE 234 N -2.93 0.00 0.64 0.66 3.72 -1.26 -4.65 117.46 113.64 3ir1 n PHE 234 Ca 0.14 -0.48 0.10 0.00 -0.05 0.00 0.00 57.45 57.16 3ir1 n PHE 234 Cb 0.50 -0.05 0.44 0.00 -0.94 0.00 0.00 39.48 39.43 3ir1 n PHE 234 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ir1 n ALA 235 N -0.49 1.92 -0.61 4.37 0.00 -1.26 -3.36 120.51 121.08 3ir1 n ALA 235 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.47 3ir1 n ALA 235 Cb 0.26 -1.35 0.20 0.00 0.00 0.00 0.00 19.45 18.57 3ir1 n ALA 235 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ir1 n TYR 236 N -1.69 0.68 -1.93 0.00 4.01 -1.26 -4.62 117.16 112.35 3ir1 n TYR 236 Ca 0.04 -0.71 -0.42 0.00 -0.16 0.00 0.00 57.90 56.66 3ir1 n TYR 236 Cb 0.25 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 3ir1 n TYR 236 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3ir1 s VAL 237 N -1.99 2.54 0.64 -0.72 1.01 -1.21 -4.65 120.40 116.02 3ir1 s VAL 237 Ca 0.32 0.42 -0.17 0.00 0.00 0.00 0.00 61.98 62.55 3ir1 s VAL 237 Cb 0.23 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 3ir1 s VAL 237 CO 0.11 0.05 1.16 0.20 0.00 0.00 0.00 175.10 176.62 3ir1 s ASN 238 N 0.80 5.04 0.16 3.32 0.02 -1.26 -4.53 114.94 118.50 3ir1 s ASN 238 Ca 0.66 2.21 0.09 0.00 -1.02 0.00 0.00 52.86 54.80 3ir1 s ASN 238 Cb -0.44 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.21 3ir1 s ASN 238 CO 0.37 -1.68 -0.20 0.26 0.02 0.00 0.00 177.10 175.87 3ir1 s TRP 239 N -1.96 1.97 0.37 2.20 0.52 0.09 -1.66 118.94 120.46 3ir1 s TRP 239 Ca 0.72 -0.43 -0.09 0.00 0.02 0.00 0.00 56.10 56.33 3ir1 s TRP 239 Cb -0.25 -0.99 -0.06 0.00 -1.15 0.00 0.00 33.47 31.01 3ir1 s TRP 239 CO 0.37 0.37 0.71 -1.54 0.02 0.00 0.00 176.95 176.88 3ir1 s SER 240 N -2.56 6.49 0.07 2.95 1.04 0.12 -4.26 113.70 117.56 3ir1 s SER 240 Ca 0.16 1.01 0.03 0.00 0.48 0.00 0.00 55.95 57.63 3ir1 s SER 240 Cb -0.07 -2.27 -0.03 0.00 0.10 0.00 0.00 66.02 63.75 3ir1 s SER 240 CO 0.07 -0.35 -0.09 0.00 0.98 0.00 0.00 173.24 173.85 3ir1 s ALA 241 N -2.30 0.91 0.17 5.32 0.00 -0.30 -0.99 121.76 124.57 3ir1 s ALA 241 Ca 0.49 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.33 3ir1 s ALA 241 Cb -0.10 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 3ir1 s ALA 241 CO 0.31 -0.02 0.32 0.14 0.00 0.00 0.00 175.76 176.51 3ir1 s VAL 242 N -2.01 0.06 0.34 0.00 -7.23 -0.63 -1.77 120.40 109.16 3ir1 s VAL 242 Ca -0.01 -1.32 -0.28 0.00 -1.81 0.00 0.00 61.98 58.56 3ir1 s VAL 242 Cb -0.06 -1.83 -0.10 0.00 0.56 0.00 0.00 36.38 34.95 3ir1 s VAL 242 CO -0.00 -0.26 1.22 -0.54 -0.31 0.00 0.00 175.10 175.22 3ir1 s LYS 243 N -3.96 4.35 0.48 4.82 1.02 -1.26 -0.62 119.74 124.56 3ir1 s LYS 243 Ca 0.17 2.03 0.25 0.00 0.02 0.00 0.00 55.97 58.44 3ir1 s LYS 243 Cb 0.03 -3.01 1.29 0.00 -0.52 0.00 0.00 37.83 35.62 3ir1 s LYS 243 CO 0.00 -0.12 1.86 1.15 -0.92 0.00 0.00 175.35 177.32 3ir1 h THR 244 N 2.88 0.59 0.00 2.17 2.02 -1.54 -0.68 112.91 118.35 3ir1 h THR 244 Ca -0.48 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 3ir1 h THR 244 Cb 1.22 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3ir1 h THR 244 CO 0.65 0.04 -0.02 0.00 0.37 0.00 0.00 175.52 176.55 3ir1 h ALA 245 N 1.58 1.62 -0.31 6.16 0.00 -1.90 -2.62 119.26 123.79 3ir1 h ALA 245 Ca 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3ir1 h ALA 245 Cb 1.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3ir1 h ALA 245 CO -0.11 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 178.92 3ir1 n ASP 246 N -4.01 2.98 -0.25 0.00 8.00 -0.26 -4.57 116.55 118.43 3ir1 n ASP 246 Ca -0.03 -1.93 0.22 0.00 0.71 0.00 0.00 54.79 53.77 3ir1 n ASP 246 Cb 0.11 -0.20 0.56 0.00 -0.02 0.00 0.00 41.12 41.57 3ir1 n ASP 246 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3ir1 h LYS 247 N 3.92 0.31 -0.53 -1.24 1.63 -1.55 -1.29 116.57 117.82 3ir1 h LYS 247 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3ir1 h LYS 247 Cb 0.86 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 3ir1 h LYS 247 CO 0.00 0.20 0.00 -3.47 -3.45 0.00 0.00 179.45 172.73 3ir1 n ASP 248 N -4.48 3.45 -4.72 4.20 2.03 -1.26 -4.92 116.55 110.86 3ir1 n ASP 248 Ca 0.21 -1.98 -0.33 0.00 0.52 0.00 0.00 54.79 53.21 3ir1 n ASP 248 Cb 0.80 -0.35 0.11 0.00 -0.72 0.00 0.00 41.12 40.96 3ir1 n ASP 248 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3ir1 s SER 249 N -1.06 4.00 0.13 1.67 1.04 -0.49 -4.93 113.70 114.06 3ir1 s SER 249 Ca 0.37 2.22 -0.11 0.00 0.48 0.00 0.00 55.95 58.91 3ir1 s SER 249 Cb 0.20 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.67 3ir1 s SER 249 CO 0.26 -2.39 1.42 -0.61 0.98 0.00 0.00 173.24 172.90 3ir1 h GLN 250 N -0.75 0.87 -0.67 4.02 5.75 -1.95 -2.79 115.11 119.58 3ir1 h GLN 250 Ca -0.46 -0.55 -0.04 0.00 -0.15 0.00 0.00 58.65 57.46 3ir1 h GLN 250 Cb 1.28 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.86 3ir1 h GLN 250 CO 0.48 1.18 0.27 0.11 -2.65 0.00 0.00 178.83 178.23 3ir1 h TRP 251 N 0.67 0.99 -0.04 3.99 5.08 -1.95 -1.48 115.95 123.21 3ir1 h TRP 251 Ca 0.02 -0.06 -0.09 0.00 1.08 0.00 0.00 58.89 59.84 3ir1 h TRP 251 Cb 1.14 -0.30 -0.01 0.00 -3.00 0.00 0.00 29.16 26.99 3ir1 h TRP 251 CO 0.07 0.75 -0.40 1.25 -1.28 0.00 0.00 178.44 178.83 3ir1 h LEU 252 N 0.96 0.08 -0.66 0.11 5.85 -1.86 0.02 115.31 119.81 3ir1 h LEU 252 Ca 0.23 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 3ir1 h LEU 252 Cb 0.18 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3ir1 h LEU 252 CO -0.02 0.48 -0.05 0.50 -0.34 0.00 0.00 178.44 179.00 3ir1 h LYS 253 N 0.06 0.99 -0.22 1.25 3.64 -1.06 0.97 116.57 122.20 3ir1 h LYS 253 Ca 0.00 -0.33 -0.07 0.00 -1.27 0.00 0.00 60.65 58.98 3ir1 h LYS 253 Cb 0.74 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3ir1 h LYS 253 CO 0.06 1.00 -0.15 -0.44 -2.27 0.00 0.00 179.45 177.65 3ir1 h ASP 254 N 0.90 0.50 -0.68 4.20 3.32 -0.70 -2.33 116.42 121.63 3ir1 h ASP 254 Ca 0.15 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3ir1 h ASP 254 Cb 0.59 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 3ir1 h ASP 254 CO 0.04 0.83 0.43 0.58 -1.72 0.00 0.00 179.24 179.40 3ir1 h VAL 255 N 0.18 1.19 -0.45 -1.35 2.07 -0.88 -1.61 116.25 115.39 3ir1 h VAL 255 Ca 0.04 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.20 3ir1 h VAL 255 Cb 0.66 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3ir1 h VAL 255 CO 0.04 0.19 0.27 0.74 0.02 0.00 0.00 177.57 178.83 3ir1 h THR 256 N 0.92 1.06 0.00 2.57 2.02 -0.71 -1.76 112.91 117.00 3ir1 h THR 256 Ca 0.24 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 3ir1 h THR 256 Cb -0.06 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3ir1 h THR 256 CO -0.05 0.10 -0.26 1.05 0.37 0.00 0.00 175.52 176.73 3ir1 h GLU 257 N 0.55 0.00 0.00 6.66 4.11 -1.21 -2.50 114.58 122.18 3ir1 h GLU 257 Ca 0.18 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.55 3ir1 h GLU 257 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3ir1 h GLU 257 CO -0.08 0.26 -0.28 0.00 0.07 0.00 0.00 179.01 178.99 3ir1 h ALA 258 N 1.74 1.32 -0.05 1.06 0.00 -0.44 -1.20 119.26 121.69 3ir1 h ALA 258 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ir1 h ALA 258 Cb 0.86 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3ir1 h ALA 258 CO 0.03 0.34 0.00 0.66 0.00 0.00 0.00 179.25 180.29 3ir1 n TYR 259 N -3.89 0.04 -0.69 0.00 4.01 -0.87 -4.24 117.16 111.52 3ir1 n TYR 259 Ca -0.02 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3ir1 n TYR 259 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 3ir1 n TYR 259 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3ir1 n ASN 260 N 0.35 0.63 -4.82 7.72 3.02 -0.68 -4.88 115.26 116.60 3ir1 n ASN 260 Ca 0.18 -1.32 -0.29 0.00 -0.03 0.00 0.00 54.58 53.12 3ir1 n ASN 260 Cb 0.38 -0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.65 3ir1 n ASN 260 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3ir1 s SER 261 N -0.32 4.23 0.30 6.41 1.04 -0.54 -4.88 113.70 119.93 3ir1 s SER 261 Ca 0.00 1.10 0.04 0.00 0.48 0.00 0.00 55.95 57.57 3ir1 s SER 261 Cb 0.00 -1.75 0.47 0.00 0.10 0.00 0.00 66.02 64.84 3ir1 s SER 261 CO 0.00 -2.11 1.75 0.44 0.98 0.00 0.00 173.24 174.30 3ir1 h ASP 262 N -1.19 0.42 -0.22 7.02 3.32 -1.96 -1.75 116.42 122.07 3ir1 h ASP 262 Ca -0.48 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.43 3ir1 h ASP 262 Cb 1.30 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3ir1 h ASP 262 CO 0.62 0.67 0.13 0.00 -1.72 0.00 0.00 179.24 178.94 3ir1 h ALA 263 N 1.37 0.27 -0.56 3.45 0.00 -1.96 0.27 119.26 122.11 3ir1 h ALA 263 Ca 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3ir1 h ALA 263 Cb 0.64 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3ir1 h ALA 263 CO 0.05 -0.23 0.21 0.35 0.00 0.00 0.00 179.25 179.63 3ir1 h PHE 264 N 0.27 0.86 -0.62 0.00 3.57 -1.74 -0.84 116.94 118.44 3ir1 h PHE 264 Ca 0.08 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 3ir1 h PHE 264 Cb 0.00 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 3ir1 h PHE 264 CO -0.05 0.71 0.38 0.87 -2.23 0.00 0.00 178.31 177.99 3ir1 h LYS 265 N 0.77 0.84 -0.14 1.11 1.57 -0.97 0.34 116.57 120.08 3ir1 h LYS 265 Ca 0.18 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 3ir1 h LYS 265 Cb 0.22 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3ir1 h LYS 265 CO -0.01 0.58 -0.29 0.00 -0.57 0.00 0.00 179.45 179.15 3ir1 h ALA 266 N 1.57 0.23 -0.18 3.86 0.00 -0.61 -1.83 119.26 122.29 3ir1 h ALA 266 Ca 0.23 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3ir1 h ALA 266 Cb -0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3ir1 h ALA 266 CO -0.04 0.24 0.02 -0.92 0.00 0.00 0.00 179.25 178.55 3ir1 h TYR 267 N 0.06 0.03 -0.69 0.00 3.20 -0.57 -2.84 116.97 116.16 3ir1 h TYR 267 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3ir1 h TYR 267 Cb 0.89 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 3ir1 h TYR 267 CO 0.10 -0.00 0.38 0.00 -1.64 0.00 0.00 178.16 177.00 3ir1 h ALA 268 N 1.14 0.89 -0.43 1.82 0.00 -0.34 -0.57 119.26 121.77 3ir1 h ALA 268 Ca 0.08 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ir1 h ALA 268 Cb 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3ir1 h ALA 268 CO -0.13 0.41 0.29 1.25 0.00 0.00 0.00 179.25 181.07 3ir1 h HIS 269 N 0.95 0.47 0.05 0.00 -0.00 -1.10 -0.05 115.15 115.47 3ir1 h HIS 269 Ca 0.24 0.01 -0.35 0.00 -0.00 0.00 0.00 60.37 60.28 3ir1 h HIS 269 Cb 0.04 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.26 3ir1 h HIS 269 CO -0.00 0.28 -2.02 0.36 -0.00 0.00 0.00 177.93 176.54 3ir1 n LYS 270 N -4.48 0.69 0.10 5.26 2.85 -1.09 -4.36 118.16 117.14 3ir1 n LYS 270 Ca 0.04 0.22 -0.15 0.00 -1.05 0.00 0.00 58.31 57.38 3ir1 n LYS 270 Cb 0.14 -1.69 -0.14 0.00 -0.65 0.00 0.00 35.03 32.69 3ir1 n LYS 270 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3ir1 h ARG 271 N 0.03 0.25 -2.23 -1.58 2.47 -0.99 -3.39 114.38 108.94 3ir1 h ARG 271 Ca -0.42 -0.42 -0.58 0.00 -1.26 0.00 0.00 59.98 57.30 3ir1 h ARG 271 Cb 2.04 0.16 -0.42 0.00 -1.65 0.00 0.00 29.97 30.09 3ir1 h ARG 271 CO 0.05 1.20 -0.68 1.19 0.56 0.00 0.00 179.97 182.29 3ir1 n PHE 272 N -3.51 3.51 -1.94 3.04 3.72 -0.04 -5.07 117.46 117.16 3ir1 n PHE 272 Ca -0.08 -4.02 -0.41 0.00 -0.05 0.00 0.00 57.45 52.88 3ir1 n PHE 272 Cb 1.02 -0.50 -0.02 0.00 -0.94 0.00 0.00 39.48 39.04 3ir1 n PHE 272 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3ir1 s GLU 273 N -2.99 4.22 0.00 -1.08 2.12 -1.26 -2.59 118.70 117.13 3ir1 s GLU 273 Ca 0.45 2.40 0.00 0.00 0.36 0.00 0.00 54.97 58.18 3ir1 s GLU 273 Cb 0.24 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.57 3ir1 s GLU 273 CO -0.09 -0.45 0.00 0.41 -0.54 0.00 0.00 175.26 174.59 3ir1 n GLY 274 N 1.61 1.22 3.82 -1.50 0.00 -1.26 -5.02 105.19 104.06 3ir1 n GLY 274 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3ir1 n GLY 274 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ir1 s TYR 275 N -2.73 3.28 0.03 1.61 4.12 -1.07 -4.65 117.35 117.95 3ir1 s TYR 275 Ca 0.00 1.58 -0.28 0.00 0.02 0.00 0.00 57.07 58.39 3ir1 s TYR 275 Cb 0.00 -2.87 -0.05 0.00 -1.52 0.00 0.00 41.96 37.52 3ir1 s TYR 275 CO 0.00 -0.29 0.87 0.15 0.02 0.00 0.00 175.55 176.30 3ir1 s LYS 276 N -3.38 4.56 0.36 -0.62 1.02 0.28 -4.79 119.74 117.18 3ir1 s LYS 276 Ca 0.62 1.25 -0.05 0.00 0.02 0.00 0.00 55.97 57.81 3ir1 s LYS 276 Cb -0.10 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 3ir1 s LYS 276 CO 0.18 0.14 0.65 -1.12 -0.92 0.00 0.00 175.35 174.28 3ir1 s SER 277 N 0.38 6.40 0.34 2.83 0.01 -1.26 -0.52 113.70 121.88 3ir1 s SER 277 Ca 0.45 0.81 -0.28 0.00 1.31 0.00 0.00 55.95 58.23 3ir1 s SER 277 Cb -0.21 -2.19 -0.12 0.00 0.21 0.00 0.00 66.02 63.71 3ir1 s SER 277 CO 0.26 -0.34 1.34 -2.65 0.41 0.00 0.00 173.24 172.26 3ir1 n PRO 278 N -1.43 2.21 -0.25 12.44 -0.02 -1.26 -4.86 135.00 141.83 3ir1 n PRO 278 Ca -0.01 0.78 0.05 0.00 -2.02 0.00 0.00 63.50 62.30 3ir1 n PRO 278 Cb 0.55 -2.39 0.29 0.00 -0.02 0.00 0.00 33.50 31.92 3ir1 n PRO 278 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ir1 h ALA 279 N 2.83 1.59 -0.13 3.55 0.00 -1.95 -1.39 119.26 123.77 3ir1 h ALA 279 Ca -0.47 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.46 3ir1 h ALA 279 Cb 1.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3ir1 h ALA 279 CO 0.65 0.28 0.23 0.00 0.00 0.00 0.00 179.25 180.40 3ir1 h ALA 280 N 1.55 1.57 0.00 0.00 0.00 -1.98 -3.54 119.26 116.85 3ir1 h ALA 280 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3ir1 h ALA 280 Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ir1 h ALA 280 CO -0.13 -0.29 0.00 0.91 0.00 0.00 0.00 179.25 179.74