#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 3.23 -0.20 1.64 2.12 -1.26 -2.18 118.70 122.05 3ir1 s GLU 44 Ca 0.00 -0.68 -0.03 0.00 0.36 0.00 0.00 54.97 54.62 3ir1 s GLU 44 Cb 0.00 -2.60 -0.01 0.00 0.26 0.00 0.00 34.13 31.78 3ir1 s GLU 44 CO 0.00 0.30 -0.07 0.42 -0.54 0.00 0.00 175.26 175.37 3ir1 s ILE 45 N 0.14 3.30 -0.32 -3.70 1.01 -0.73 -4.98 121.20 115.91 3ir1 s ILE 45 Ca -0.06 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 59.94 3ir1 s ILE 45 Cb -0.15 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 3ir1 s ILE 45 CO 0.05 0.45 0.21 -0.69 0.00 0.00 0.00 174.94 174.96 3ir1 s VAL 46 N 1.17 5.15 0.17 2.92 1.01 -1.26 -1.93 120.40 127.63 3ir1 s VAL 46 Ca 0.02 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 3ir1 s VAL 46 Cb -0.14 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 3ir1 s VAL 46 CO -0.02 0.06 0.47 -0.36 0.00 0.00 0.00 175.10 175.25 3ir1 s PHE 47 N 1.71 3.47 -0.07 5.22 0.40 0.48 -0.47 117.98 128.72 3ir1 s PHE 47 Ca 0.06 0.75 0.01 0.00 -0.60 0.00 0.00 56.93 57.15 3ir1 s PHE 47 Cb -0.17 -2.16 0.02 0.00 0.51 0.00 0.00 43.02 41.22 3ir1 s PHE 47 CO 0.10 0.37 -0.09 0.20 0.70 0.00 0.00 175.22 176.50 3ir1 s GLY 48 N -2.28 0.71 0.15 4.36 0.00 -0.06 -1.13 107.32 109.08 3ir1 s GLY 48 Ca 0.43 -0.36 -0.07 0.00 0.00 0.00 0.00 44.72 44.72 3ir1 s GLY 48 CO 0.22 0.43 0.22 -0.51 0.00 0.00 0.00 173.10 173.46 3ir1 s THR 49 N 1.07 0.08 0.64 0.90 -4.23 -0.81 -0.41 115.64 112.88 3ir1 s THR 49 Ca -0.08 -1.51 -0.12 0.00 -1.18 0.00 0.00 61.69 58.80 3ir1 s THR 49 Cb -0.14 -1.87 -0.02 0.00 1.34 0.00 0.00 72.50 71.81 3ir1 s THR 49 CO -0.01 -0.36 1.05 0.42 -0.54 0.00 0.00 174.62 175.18 3ir1 s THR 50 N -3.98 4.18 0.58 3.99 -4.23 -1.25 -0.63 115.64 114.29 3ir1 s THR 50 Ca 0.18 0.80 -0.20 0.00 -1.18 0.00 0.00 61.69 61.29 3ir1 s THR 50 Cb 0.04 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 3ir1 s THR 50 CO -0.00 -0.84 1.25 -0.69 -0.54 0.00 0.00 174.62 173.80 3ir1 s VAL 51 N -2.93 2.45 0.00 2.29 1.01 0.21 -3.73 120.40 119.70 3ir1 s VAL 51 Ca 0.58 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.86 3ir1 s VAL 51 Cb -0.13 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3ir1 s VAL 51 CO 0.49 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.16 3ir1 n GLY 52 N 0.63 0.91 0.27 4.51 0.00 -1.26 -4.71 105.19 105.53 3ir1 n GLY 52 Ca 0.13 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.14 0.15 1.61 -0.00 -1.89 0.14 116.42 116.30 3ir1 h ASP 53 Ca 0.00 0.17 -0.10 0.00 -0.00 0.00 0.00 57.03 57.10 3ir1 h ASP 53 Cb 0.00 0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 39.58 3ir1 h ASP 53 CO 0.00 -0.11 -0.37 -0.26 -0.00 0.00 0.00 179.24 178.51 3ir1 h PHE 54 N 0.19 0.35 -0.17 4.15 0.04 -1.84 -1.83 116.94 117.82 3ir1 h PHE 54 Ca 0.42 -0.09 -0.12 0.00 2.80 0.00 0.00 57.97 60.99 3ir1 h PHE 54 Cb 0.75 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.82 3ir1 h PHE 54 CO -0.33 0.63 -0.36 0.78 -0.60 0.00 0.00 178.31 178.44 3ir1 h GLY 55 N 1.14 0.60 0.66 -1.45 0.00 -1.28 -3.10 103.07 99.65 3ir1 h GLY 55 Ca 0.03 -0.72 0.10 0.00 0.00 0.00 0.00 47.33 46.74 3ir1 h GLY 55 CO 0.06 0.64 0.61 -0.55 0.00 0.00 0.00 176.54 177.30 3ir1 h ASP 56 N 0.20 0.88 -0.81 0.19 3.32 -0.55 0.11 116.42 119.77 3ir1 h ASP 56 Ca 0.00 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.14 3ir1 h ASP 56 Cb 0.96 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.30 3ir1 h ASP 56 CO 0.08 0.52 0.53 0.24 -1.72 0.00 0.00 179.24 178.88 3ir1 h MET 57 N 0.97 0.86 0.09 3.56 2.86 -1.26 0.65 114.93 122.66 3ir1 h MET 57 Ca 0.44 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 58.02 3ir1 h MET 57 Cb 0.38 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3ir1 h MET 57 CO -0.20 0.57 -0.04 0.28 1.06 0.00 0.00 176.91 178.58 3ir1 h VAL 58 N 0.89 1.11 -0.08 -2.22 2.07 -0.83 0.17 116.25 117.36 3ir1 h VAL 58 Ca 0.34 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 3ir1 h VAL 58 Cb 0.21 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3ir1 h VAL 58 CO -0.12 0.30 0.02 0.11 0.02 0.00 0.00 177.57 177.90 3ir1 h LYS 59 N -0.81 0.13 -0.10 1.57 1.57 -0.74 0.49 116.57 118.67 3ir1 h LYS 59 Ca -0.01 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.55 3ir1 h LYS 59 Cb 0.58 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 3ir1 h LYS 59 CO 0.02 0.30 -0.73 0.93 -0.57 0.00 0.00 179.45 179.41 3ir1 h GLU 60 N -0.07 0.50 0.00 3.15 5.08 0.15 -3.41 114.58 119.98 3ir1 h GLU 60 Ca 0.03 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3ir1 h GLU 60 Cb 0.23 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3ir1 h GLU 60 CO -0.00 1.03 -0.09 0.94 -1.00 0.00 0.00 179.01 179.89 3ir1 n GLN 61 N -3.87 0.00 -0.31 2.33 -0.06 -0.79 -4.77 117.38 109.91 3ir1 n GLN 61 Ca -0.05 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 54.91 3ir1 n GLN 61 Cb 0.71 -0.35 0.08 0.00 -4.06 0.00 0.00 30.24 26.62 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 1.24 0.54 1.69 1.08 -0.62 -2.37 117.51 119.06 3ir1 h ILE 62 Ca 0.00 -0.55 -0.03 0.00 -0.39 0.00 0.00 64.86 63.90 3ir1 h ILE 62 Cb 0.09 0.08 0.01 0.00 -3.07 0.00 0.00 36.82 33.92 3ir1 h ILE 62 CO 0.00 0.26 -0.26 -0.61 -0.69 0.00 0.00 178.15 176.85 3ir1 h GLN 63 N 1.16 -0.70 -1.00 2.37 4.15 -0.23 0.03 115.11 120.89 3ir1 h GLN 63 Ca 0.30 0.05 0.24 0.00 0.77 0.00 0.00 58.65 60.01 3ir1 h GLN 63 Cb -0.02 0.16 -0.08 0.00 0.21 0.00 0.00 27.48 27.74 3ir1 h GLN 63 CO -0.05 -0.40 0.65 -1.35 -1.93 0.00 0.00 178.83 175.75 3ir1 h PRO 64 N -0.93 0.41 -0.02 -2.39 0.11 -1.75 -0.52 132.00 126.91 3ir1 h PRO 64 Ca -0.07 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 3ir1 h PRO 64 Cb 0.62 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3ir1 h PRO 64 CO 0.12 0.27 -0.09 0.93 -0.21 0.00 0.00 178.00 179.02 3ir1 h GLU 65 N 0.42 0.09 -0.16 1.05 4.39 -1.21 -3.26 114.58 115.89 3ir1 h GLU 65 Ca 0.55 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 60.16 3ir1 h GLU 65 Cb 1.37 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.03 3ir1 h GLU 65 CO -0.26 0.74 0.00 -0.07 -1.16 0.00 0.00 179.01 178.27 3ir1 h LEU 66 N -0.54 0.21 -1.53 1.33 3.38 -0.08 -2.12 115.31 115.96 3ir1 h LEU 66 Ca -0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3ir1 h LEU 66 Cb 0.76 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3ir1 h LEU 66 CO 0.02 0.25 -0.12 -0.33 0.09 0.00 0.00 178.44 178.35 3ir1 h GLU 67 N 0.23 0.15 0.00 1.13 5.08 -1.18 -1.18 114.58 118.80 3ir1 h GLU 67 Ca 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3ir1 h GLU 67 Cb 0.15 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ir1 h GLU 67 CO 0.00 0.28 0.00 0.87 -1.00 0.00 0.00 179.01 179.16 3ir1 h LYS 68 N 0.15 0.00 -0.63 2.33 1.57 -1.42 0.11 116.57 118.67 3ir1 h LYS 68 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3ir1 h LYS 68 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3ir1 h LYS 68 CO 0.02 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.53 3ir1 n LYS 69 N -2.51 2.68 -0.82 3.15 5.02 -0.46 -4.94 118.16 120.27 3ir1 n LYS 69 Ca -0.00 -2.54 0.00 0.00 -2.02 0.00 0.00 58.31 53.74 3ir1 n LYS 69 Cb 0.13 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 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 1.55 0.51 3.92 0.72 0.00 0.37 -5.06 105.19 107.19 3ir1 n GLY 70 Ca 0.23 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.00 3.48 -0.09 1.61 2.02 -1.12 -4.44 117.35 116.83 3ir1 s TYR 71 Ca 0.00 0.50 0.02 0.00 -0.37 0.00 0.00 57.07 57.22 3ir1 s TYR 71 Cb 0.00 -1.99 -0.02 0.00 -0.40 0.00 0.00 41.96 39.54 3ir1 s TYR 71 CO 0.00 0.22 -0.13 0.95 -1.57 0.00 0.00 175.55 175.02 3ir1 s THR 72 N -2.07 3.12 -0.00 -0.71 -4.23 -0.93 -4.11 115.64 106.71 3ir1 s THR 72 Ca 0.42 -0.67 0.07 0.00 -1.18 0.00 0.00 61.69 60.32 3ir1 s THR 72 Cb -0.11 -2.26 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 3ir1 s THR 72 CO 0.31 0.56 -0.22 -0.69 -0.54 0.00 0.00 174.62 174.04 3ir1 s VAL 73 N -0.26 2.45 -0.01 2.29 1.01 -1.26 -1.78 120.40 122.83 3ir1 s VAL 73 Ca 0.02 -1.09 0.06 0.00 0.00 0.00 0.00 61.98 60.97 3ir1 s VAL 73 Cb -0.13 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 3ir1 s VAL 73 CO 0.03 0.49 -0.19 -0.75 0.00 0.00 0.00 175.10 174.68 3ir1 s LYS 74 N -0.92 1.56 -0.12 2.72 2.20 -0.81 -4.98 119.74 119.39 3ir1 s LYS 74 Ca 0.12 -0.69 0.01 0.00 -0.36 0.00 0.00 55.97 55.05 3ir1 s LYS 74 Cb -0.10 -1.51 0.02 0.00 -1.51 0.00 0.00 37.83 34.72 3ir1 s LYS 74 CO 0.01 0.41 -0.15 -1.17 -0.36 0.00 0.00 175.35 174.10 3ir1 s LEU 75 N -0.46 1.70 -0.17 5.43 2.96 -1.26 -0.39 118.68 126.49 3ir1 s LEU 75 Ca 0.07 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3ir1 s LEU 75 Cb -0.07 -1.10 -0.01 0.00 0.50 0.00 0.00 46.19 45.50 3ir1 s LEU 75 CO -0.01 -0.00 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.25 3ir1 s VAL 76 N 1.11 3.28 -0.10 1.68 1.01 -0.28 -4.99 120.40 122.12 3ir1 s VAL 76 Ca -0.04 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 3ir1 s VAL 76 Cb -0.14 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 3ir1 s VAL 76 CO -0.04 0.48 -0.04 -1.61 0.00 0.00 0.00 175.10 173.89 3ir1 s GLU 77 N 0.85 3.07 0.15 2.72 2.02 -1.26 -1.93 118.70 124.33 3ir1 s GLU 77 Ca -0.02 -0.51 0.09 0.00 0.02 0.00 0.00 54.97 54.55 3ir1 s GLU 77 Cb -0.15 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.31 3ir1 s GLU 77 CO 0.01 0.55 -0.17 -0.06 0.02 0.00 0.00 175.26 175.61 3ir1 s PHE 78 N -0.48 2.52 -0.83 1.61 0.08 0.19 -4.82 117.98 116.25 3ir1 s PHE 78 Ca 0.08 -0.27 0.21 0.00 0.12 0.00 0.00 56.93 57.06 3ir1 s PHE 78 Cb -0.12 -1.29 -0.24 0.00 -0.57 0.00 0.00 43.02 40.80 3ir1 s PHE 78 CO 0.02 0.44 0.81 0.25 -0.10 0.00 0.00 175.22 176.65 3ir1 n THR 79 N 0.48 0.00 -4.36 0.64 -2.24 -1.26 0.65 114.28 108.19 3ir1 n THR 79 Ca -0.14 -0.08 -0.26 0.00 -2.27 0.00 0.00 64.05 61.30 3ir1 n THR 79 Cb 0.54 0.86 -0.09 0.00 -2.10 0.00 0.00 70.33 69.54 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 -3.16 4.15 0.01 3.42 -4.77 -1.26 -4.88 116.67 110.18 3ir1 s ASP 80 Ca 0.06 -1.17 0.24 0.00 -3.30 0.00 0.00 52.55 48.38 3ir1 s ASP 80 Cb 0.15 -0.46 0.24 0.00 -1.09 0.00 0.00 42.92 41.77 3ir1 s ASP 80 CO 0.85 -0.43 1.22 -1.22 0.70 0.00 0.00 175.17 176.29 3ir1 n TYR 81 N -1.07 0.04 -0.03 2.11 4.01 -1.26 -4.53 117.16 116.44 3ir1 n TYR 81 Ca -0.03 0.01 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 3ir1 n TYR 81 Cb 0.65 -0.21 -0.13 0.00 -0.31 0.00 0.00 39.34 39.34 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 1.26 -0.47 -0.72 2.07 -2.02 -3.41 116.25 112.97 3ir1 h VAL 82 Ca 0.00 -2.35 -0.06 0.00 0.82 0.00 0.00 66.70 65.11 3ir1 h VAL 82 Cb 0.53 2.84 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 3ir1 h VAL 82 CO 0.00 0.59 0.05 0.03 0.02 0.00 0.00 177.57 178.26 3ir1 h ARG 83 N -0.66 0.74 -0.56 1.57 3.08 -2.02 -3.34 114.38 113.20 3ir1 h ARG 83 Ca -0.22 -0.17 0.11 0.00 0.07 0.00 0.00 59.98 59.78 3ir1 h ARG 83 Cb 1.44 -0.10 -0.09 0.00 0.08 0.00 0.00 29.97 31.30 3ir1 h ARG 83 CO -0.01 0.71 0.01 -1.35 -1.07 0.00 0.00 179.97 178.26 3ir1 h PRO 84 N 0.70 0.12 -0.07 0.04 0.11 -1.82 -0.74 132.00 130.34 3ir1 h PRO 84 Ca 0.15 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.14 3ir1 h PRO 84 Cb 0.35 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 3ir1 h PRO 84 CO 0.01 0.08 -0.47 -0.91 -0.21 0.00 0.00 178.00 176.50 3ir1 h ASN 85 N 0.12 0.19 -0.40 -2.05 2.35 -1.84 -1.77 115.58 112.18 3ir1 h ASN 85 Ca 0.29 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 3ir1 h ASN 85 Cb 0.44 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 3ir1 h ASN 85 CO -0.47 0.63 0.08 -0.07 -1.65 0.00 0.00 177.43 175.96 3ir1 h LEU 86 N 0.14 0.63 -1.08 1.61 3.38 -1.53 -0.70 115.31 117.75 3ir1 h LEU 86 Ca 0.01 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 3ir1 h LEU 86 Cb 0.89 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3ir1 h LEU 86 CO 0.07 0.72 0.07 0.00 0.09 0.00 0.00 178.44 179.38 3ir1 h ALA 87 N 0.93 1.25 0.35 1.53 0.00 -0.98 -0.15 119.26 122.20 3ir1 h ALA 87 Ca 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3ir1 h ALA 87 Cb 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ir1 h ALA 87 CO 0.01 0.51 -0.17 1.25 0.00 0.00 0.00 179.25 180.85 3ir1 h LEU 88 N 0.69 -0.40 -0.97 0.00 6.46 -1.04 -0.93 115.31 119.12 3ir1 h LEU 88 Ca 0.15 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 3ir1 h LEU 88 Cb 0.33 0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.31 3ir1 h LEU 88 CO 0.01 -0.08 0.61 0.00 -0.62 0.00 0.00 178.44 178.35 3ir1 h ALA 89 N -0.19 1.23 0.00 1.25 0.00 -1.03 -1.95 119.26 118.58 3ir1 h ALA 89 Ca -0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3ir1 h ALA 89 Cb 0.50 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ir1 h ALA 89 CO 0.08 0.66 -0.21 1.49 0.00 0.00 0.00 179.25 181.27 3ir1 h GLU 90 N 1.33 0.00 0.00 0.00 4.22 -0.99 -3.46 114.58 115.67 3ir1 h GLU 90 Ca 0.35 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.79 3ir1 h GLU 90 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3ir1 h GLU 90 CO -0.07 0.21 0.00 0.41 -2.18 0.00 0.00 179.01 177.39 3ir1 n GLY 91 N -0.60 0.82 0.35 1.92 0.00 -0.73 -4.97 105.19 101.98 3ir1 n GLY 91 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 1.82 0.98 -6.43 1.61 4.81 -1.41 -3.42 114.58 112.53 3ir1 h GLU 92 Ca 0.00 -0.06 -0.65 0.00 -0.13 0.00 0.00 59.36 58.52 3ir1 h GLU 92 Cb 0.00 -0.22 -0.13 0.00 0.63 0.00 0.00 28.75 29.03 3ir1 h GLU 92 CO 0.00 0.65 -0.69 -0.51 -0.73 0.00 0.00 179.01 177.72 3ir1 s LEU 93 N -9.86 3.25 -0.02 1.64 1.43 -0.97 -4.86 118.68 109.29 3ir1 s LEU 93 Ca -0.11 -0.31 0.18 0.00 -1.03 0.00 0.00 54.13 52.86 3ir1 s LEU 93 Cb 0.18 -2.00 -0.20 0.00 0.03 0.00 0.00 46.19 44.20 3ir1 s LEU 93 CO 0.78 0.16 0.58 0.47 0.23 0.00 0.00 176.35 178.57 3ir1 n ASP 94 N 0.48 0.49 -3.56 2.29 8.00 0.38 -4.58 116.55 120.06 3ir1 n ASP 94 Ca -0.12 0.21 -0.15 0.00 0.71 0.00 0.00 54.79 55.45 3ir1 n ASP 94 Cb 0.53 0.72 -0.06 0.00 -0.02 0.00 0.00 41.12 42.29 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 -2.94 0.00 0.10 0.53 2.07 -1.11 -4.48 121.20 115.37 3ir1 s ILE 95 Ca -0.06 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.24 3ir1 s ILE 95 Cb 0.09 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.65 3ir1 s ILE 95 CO 0.83 0.00 -0.14 0.54 -1.91 0.00 0.00 174.94 174.27 3ir1 s ASN 96 N -0.87 1.80 -0.29 4.50 2.20 -0.53 -0.89 114.94 120.86 3ir1 s ASN 96 Ca -0.06 -0.74 -0.02 0.00 -0.94 0.00 0.00 52.86 51.09 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 0.06 -0.14 0.10 -0.69 -2.94 0.00 0.00 177.10 173.50 3ir1 s VAL 97 N -1.86 0.44 0.00 3.54 1.01 0.46 -0.99 120.40 122.99 3ir1 s VAL 97 Ca 0.04 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3ir1 s VAL 97 Cb -0.06 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 35.02 3ir1 s VAL 97 CO 0.02 -0.64 0.00 2.22 0.00 0.00 0.00 175.10 176.70 3ir1 n PHE 98 N 5.04 0.00 -4.26 5.22 1.16 -1.26 -3.84 117.46 119.52 3ir1 n PHE 98 Ca -0.04 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.39 3ir1 n PHE 98 Cb 0.43 0.02 -0.10 0.00 -1.61 0.00 0.00 39.48 38.21 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 1.22 0.37 3.97 -2.07 -1.26 -4.93 119.66 116.96 3ir1 s GLN 99 Ca 0.00 -1.62 0.07 0.00 -1.82 0.00 0.00 55.36 51.99 3ir1 s GLN 99 Cb 0.00 -0.19 -0.00 0.00 -1.09 0.00 0.00 33.01 31.73 3ir1 s GLN 99 CO 0.00 -0.22 0.49 -3.38 -1.32 0.00 0.00 175.29 170.86 3ir1 s HIS 100 N -3.76 2.96 0.15 9.60 -3.43 -1.26 0.29 115.29 119.84 3ir1 s HIS 100 Ca 0.30 -0.31 -0.17 0.00 -0.80 0.00 0.00 55.06 54.08 3ir1 s HIS 100 Cb 0.07 -2.14 0.03 0.00 -1.43 0.00 0.00 32.58 29.11 3ir1 s HIS 100 CO 0.08 -0.16 1.75 -0.22 -2.00 0.00 0.00 174.74 174.19 3ir1 h LYS 101 N 0.83 0.23 -0.97 -0.38 3.64 -1.82 -2.20 116.57 115.90 3ir1 h LYS 101 Ca -0.43 -0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.06 3ir1 h LYS 101 Cb 1.27 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.95 3ir1 h LYS 101 CO 0.50 0.15 0.60 -1.35 -2.27 0.00 0.00 179.45 177.08 3ir1 h PRO 102 N 0.23 0.90 -0.36 1.90 0.11 -1.97 0.28 132.00 133.09 3ir1 h PRO 102 Ca 0.14 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.11 3ir1 h PRO 102 Cb 0.12 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 3ir1 h PRO 102 CO -0.15 0.59 -0.13 -0.92 -0.21 0.00 0.00 178.00 177.18 3ir1 h TYR 103 N 0.92 0.83 -0.14 0.65 5.03 -1.86 -1.12 116.97 121.28 3ir1 h TYR 103 Ca 0.49 -0.19 0.02 0.00 2.58 0.00 0.00 58.73 61.63 3ir1 h TYR 103 Cb 0.52 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.58 3ir1 h TYR 103 CO -0.02 0.90 0.00 1.25 -1.32 0.00 0.00 178.16 178.98 3ir1 h LEU 104 N 0.52 -0.04 -0.38 2.82 6.46 -0.58 0.23 115.31 124.33 3ir1 h LEU 104 Ca 0.09 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.87 3ir1 h LEU 104 Cb 0.66 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 3ir1 h LEU 104 CO 0.04 -0.00 0.22 0.44 -0.62 0.00 0.00 178.44 178.53 3ir1 h ASP 105 N 0.05 0.47 -0.17 1.25 3.32 -0.42 0.12 116.42 121.04 3ir1 h ASP 105 Ca 0.06 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3ir1 h ASP 105 Cb 0.07 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3ir1 h ASP 105 CO -0.10 0.40 0.09 0.44 -1.72 0.00 0.00 179.24 178.35 3ir1 h ASP 106 N 0.50 0.21 -0.40 6.45 5.19 -0.87 -2.72 116.42 124.79 3ir1 h ASP 106 Ca 0.14 -0.09 -0.04 0.00 -0.62 0.00 0.00 57.03 56.42 3ir1 h ASP 106 Cb 0.03 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 3ir1 h ASP 106 CO -0.02 0.24 0.10 0.15 -3.12 0.00 0.00 179.24 176.58 3ir1 h PHE 107 N 0.16 0.66 0.00 4.55 3.04 -0.33 -0.18 116.94 124.85 3ir1 h PHE 107 Ca 0.06 -0.08 -0.04 0.00 3.98 0.00 0.00 57.97 61.89 3ir1 h PHE 107 Cb 0.07 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.39 3ir1 h PHE 107 CO -0.04 0.64 -0.20 1.57 -2.02 0.00 0.00 178.31 178.26 3ir1 h LYS 108 N 0.50 0.00 0.04 1.11 2.10 -1.00 -1.27 116.57 118.04 3ir1 h LYS 108 Ca 0.12 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.72 3ir1 h LYS 108 Cb 0.31 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.65 3ir1 h LYS 108 CO 0.00 0.20 -0.23 -0.22 -2.00 0.00 0.00 179.45 177.21 3ir1 h LYS 109 N 0.00 0.09 -0.10 0.07 3.64 -1.23 0.93 116.57 119.97 3ir1 h LYS 109 Ca -0.00 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.18 3ir1 h LYS 109 Cb 0.44 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3ir1 h LYS 109 CO 0.03 1.05 -0.18 1.49 -2.27 0.00 0.00 179.45 179.57 3ir1 h GLU 110 N -0.79 0.16 -0.26 1.90 4.81 -0.86 -3.04 114.58 116.50 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 1.15 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3ir1 h GLU 110 CO 0.04 0.34 0.00 0.72 -0.73 0.00 0.00 179.01 179.38 3ir1 n HIS 111 N -4.26 0.34 -3.69 0.92 8.25 -0.50 -5.03 115.22 111.26 3ir1 n HIS 111 Ca -0.01 -0.42 -0.24 0.00 -0.26 0.00 0.00 57.72 56.79 3ir1 n HIS 111 Cb 0.29 -0.02 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 0.41 -5.32 -4.41 0.41 3.02 0.18 -4.98 115.26 104.56 3ir1 n ASN 112 Ca 0.09 -0.86 -0.33 0.00 -0.03 0.00 0.00 54.58 53.46 3ir1 n ASN 112 Cb 0.38 -2.46 -0.14 0.00 -0.61 0.00 0.00 39.78 36.95 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 -5.23 2.64 -1.22 3.41 1.43 -0.36 -5.03 118.68 114.31 3ir1 s LEU 113 Ca 0.10 -0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 3ir1 s LEU 113 Cb -0.05 -1.55 0.18 0.00 0.03 0.00 0.00 46.19 44.81 3ir1 s LEU 113 CO 0.88 0.27 1.54 0.47 0.23 0.00 0.00 176.35 179.74 3ir1 n ASP 114 N 2.79 5.24 -4.27 2.29 8.00 -1.26 -4.80 116.55 124.54 3ir1 n ASP 114 Ca -0.17 -3.03 -0.15 0.00 0.71 0.00 0.00 54.79 52.14 3ir1 n ASP 114 Cb 0.52 -1.53 -0.10 0.00 -0.02 0.00 0.00 41.12 40.00 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 0.94 1.29 0.13 0.53 -4.36 -1.26 -1.40 121.20 117.06 3ir1 s ILE 115 Ca 0.41 -2.09 -0.14 0.00 -0.26 0.00 0.00 60.65 58.57 3ir1 s ILE 115 Cb 0.00 -1.89 0.02 0.00 1.25 0.00 0.00 42.46 41.84 3ir1 s ILE 115 CO 0.00 -0.71 0.35 0.28 0.24 0.00 0.00 174.94 175.10 3ir1 s THR 116 N -3.25 0.08 0.52 8.37 -1.32 -0.07 -4.76 115.64 115.22 3ir1 s THR 116 Ca 0.18 -0.80 -0.14 0.00 -1.21 0.00 0.00 61.69 59.72 3ir1 s THR 116 Cb 0.02 -1.29 -0.07 0.00 -1.51 0.00 0.00 72.50 69.65 3ir1 s THR 116 CO 0.02 -0.38 0.97 -1.83 -2.21 0.00 0.00 174.62 171.19 3ir1 s GLU 117 N -3.84 3.85 0.08 7.08 1.03 -1.26 -1.35 118.70 124.29 3ir1 s GLU 117 Ca 0.05 0.84 0.00 0.00 0.03 0.00 0.00 54.97 55.89 3ir1 s GLU 117 Cb 0.02 -2.16 0.00 0.00 -0.80 0.00 0.00 34.13 31.20 3ir1 s GLU 117 CO -0.10 -0.31 0.00 0.28 -1.33 0.00 0.00 175.26 173.80 3ir1 n VAL 118 N -1.82 0.66 -4.02 1.83 0.31 -0.35 -4.89 118.33 110.05 3ir1 n VAL 118 Ca 0.06 0.22 -0.08 0.00 -0.01 0.00 0.00 64.34 64.53 3ir1 n VAL 118 Cb 0.54 -1.22 -0.10 0.00 -0.91 0.00 0.00 33.84 32.16 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 -1.63 0.39 0.40 3.52 -0.12 -1.26 -4.97 117.98 114.33 3ir1 s PHE 119 Ca 0.00 -0.86 -0.06 0.00 -0.05 0.00 0.00 56.93 55.96 3ir1 s PHE 119 Cb 0.00 -0.29 -0.05 0.00 -0.63 0.00 0.00 43.02 42.06 3ir1 s PHE 119 CO 0.00 -0.38 0.71 -0.65 -0.05 0.00 0.00 175.22 174.85 3ir1 s GLN 120 N -3.46 3.63 0.11 1.99 -0.21 -1.26 -0.65 119.66 119.81 3ir1 s GLN 120 Ca 0.03 0.19 0.04 0.00 0.02 0.00 0.00 55.36 55.64 3ir1 s GLN 120 Cb 0.04 -2.46 -0.04 0.00 1.00 0.00 0.00 33.01 31.55 3ir1 s GLN 120 CO -0.08 -0.03 -0.10 0.14 -2.12 0.00 0.00 175.29 173.10 3ir1 s VAL 121 N -2.44 0.97 0.26 1.09 -7.23 -0.57 -4.81 120.40 107.68 3ir1 s VAL 121 Ca 0.47 -1.76 -0.30 0.00 -1.81 0.00 0.00 61.98 58.58 3ir1 s VAL 121 Cb -0.10 -1.50 -0.14 0.00 0.56 0.00 0.00 36.38 35.20 3ir1 s VAL 121 CO 0.36 -0.63 1.28 -2.65 -0.31 0.00 0.00 175.10 173.16 3ir1 n PRO 122 N 0.33 1.83 -4.38 4.82 -0.02 -1.26 -4.22 135.00 132.11 3ir1 n PRO 122 Ca -0.14 0.65 -0.20 0.00 -2.02 0.00 0.00 63.50 61.79 3ir1 n PRO 122 Cb 0.59 -2.22 -0.15 0.00 -0.02 0.00 0.00 33.50 31.70 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 -0.50 0.76 -0.11 3.45 2.01 -0.15 -4.89 115.64 116.21 3ir1 s THR 123 Ca 0.64 -0.36 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 3ir1 s THR 123 Cb -0.66 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 3ir1 s THR 123 CO 0.55 0.23 1.37 0.00 -0.69 0.00 0.00 174.62 176.08 3ir1 s ALA 124 N 0.10 3.63 0.64 7.40 0.00 -1.26 -0.41 121.76 131.86 3ir1 s ALA 124 Ca -0.01 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 52.41 3ir1 s ALA 124 Cb -0.07 -3.64 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 3ir1 s ALA 124 CO 0.00 -1.17 1.19 -1.25 0.00 0.00 0.00 175.76 174.53 3ir1 s PRO 125 N 3.40 2.71 0.22 0.00 0.04 -1.26 -3.99 135.00 136.11 3ir1 s PRO 125 Ca 0.60 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 63.06 3ir1 s PRO 125 Cb -0.26 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 3ir1 s PRO 125 CO 0.20 -1.39 1.05 -1.17 0.04 0.00 0.00 177.00 175.73 3ir1 s LEU 126 N -4.53 4.55 0.05 -3.56 2.96 -1.26 -3.94 118.68 112.96 3ir1 s LEU 126 Ca 0.74 2.09 -0.08 0.00 -0.22 0.00 0.00 54.13 56.66 3ir1 s LEU 126 Cb -0.28 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.80 3ir1 s LEU 126 CO 0.38 -0.09 0.17 -0.83 -1.32 0.00 0.00 176.35 174.66 3ir1 s GLY 127 N -0.61 0.08 -0.22 7.98 0.00 -1.19 -1.51 107.32 111.84 3ir1 s GLY 127 Ca 0.45 -0.42 -0.15 0.00 0.00 0.00 0.00 44.72 44.61 3ir1 s GLY 127 CO 0.36 -0.59 0.35 -2.27 0.00 0.00 0.00 173.10 170.95 3ir1 s LEU 128 N -2.28 4.12 0.30 0.66 0.20 0.22 -1.49 118.68 120.41 3ir1 s LEU 128 Ca -0.03 0.39 0.10 0.00 0.69 0.00 0.00 54.13 55.28 3ir1 s LEU 128 Cb 0.00 -2.42 -0.05 0.00 -0.43 0.00 0.00 46.19 43.30 3ir1 s LEU 128 CO -0.06 -0.07 -0.03 -0.31 -0.29 0.00 0.00 176.35 175.59 3ir1 s TYR 129 N 1.42 2.55 0.21 5.38 2.02 0.19 -0.26 117.35 128.85 3ir1 s TYR 129 Ca 0.16 -0.34 -0.31 0.00 -0.37 0.00 0.00 57.07 56.21 3ir1 s TYR 129 Cb -0.15 -1.30 -0.10 0.00 -0.40 0.00 0.00 41.96 40.02 3ir1 s TYR 129 CO 0.08 0.57 1.49 -2.14 -1.57 0.00 0.00 175.55 173.98 3ir1 s PRO 130 N -3.66 4.24 0.00 -1.71 0.02 -1.26 -1.69 135.00 130.94 3ir1 s PRO 130 Ca 0.33 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.67 3ir1 s PRO 130 Cb -0.03 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3ir1 s PRO 130 CO 0.19 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 3ir1 n GLY 131 N 2.89 1.38 0.22 0.52 0.00 0.35 -4.71 105.19 105.83 3ir1 n GLY 131 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 -5.78 1.61 1.57 0.57 -3.42 116.57 111.12 3ir1 h LYS 132 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 3ir1 h LYS 132 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.21 3ir1 h LYS 132 CO 0.00 0.26 -0.54 -0.51 -0.57 0.00 0.00 179.45 178.09 3ir1 s LEU 133 N -7.10 4.07 0.00 2.94 1.43 -0.75 -4.99 118.68 114.28 3ir1 s LEU 133 Ca -0.01 0.33 0.24 0.00 -1.03 0.00 0.00 54.13 53.67 3ir1 s LEU 133 Cb 0.11 -2.00 0.29 0.00 0.03 0.00 0.00 46.19 44.62 3ir1 s LEU 133 CO 0.65 0.39 1.30 0.29 0.23 0.00 0.00 176.35 179.21 3ir1 n LYS 134 N 1.97 1.92 -3.63 1.70 4.01 -1.26 -4.49 118.16 118.39 3ir1 n LYS 134 Ca -0.19 -1.53 -0.16 0.00 -0.51 0.00 0.00 58.31 55.93 3ir1 n LYS 134 Cb 0.54 -1.47 -0.07 0.00 -0.51 0.00 0.00 35.03 33.52 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 -2.13 -0.44 0.22 4.39 0.15 -1.26 -4.91 113.70 109.72 3ir1 s SER 135 Ca 0.27 0.43 -0.09 0.00 0.70 0.00 0.00 55.95 57.26 3ir1 s SER 135 Cb 0.20 0.44 0.18 0.00 -1.71 0.00 0.00 66.02 65.13 3ir1 s SER 135 CO 0.38 -0.53 1.88 -0.07 1.20 0.00 0.00 173.24 176.10 3ir1 h LEU 136 N 3.43 0.96 -1.91 3.45 3.38 -1.94 -0.97 115.31 121.71 3ir1 h LEU 136 Ca -0.28 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3ir1 h LEU 136 Cb 1.16 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3ir1 h LEU 136 CO 0.39 0.72 0.23 -0.33 0.09 0.00 0.00 178.44 179.54 3ir1 h GLU 137 N 1.11 0.00 -0.01 1.13 3.07 -2.01 -1.06 114.58 116.81 3ir1 h GLU 137 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 3ir1 h GLU 137 Cb -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 3ir1 h GLU 137 CO -0.06 0.00 -0.13 0.39 -1.40 0.00 0.00 179.01 177.81 3ir1 n GLU 138 N -2.70 0.97 -1.41 2.33 1.02 -0.37 -4.95 120.64 115.53 3ir1 n GLU 138 Ca -0.02 -0.47 -0.37 0.00 -0.02 0.00 0.00 57.16 56.28 3ir1 n GLU 138 Cb 0.28 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.27 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 -0.61 2.44 -4.25 2.62 0.24 -0.41 -5.00 118.33 113.37 3ir1 n VAL 139 Ca 0.15 -0.45 -0.14 0.00 -2.04 0.00 0.00 64.34 61.86 3ir1 n VAL 139 Cb 0.31 -0.83 -0.10 0.00 -1.47 0.00 0.00 33.84 31.74 3ir1 n VAL 139 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3ir1 s LYS 140 N -2.60 1.13 0.03 7.34 -0.14 -1.26 -5.05 119.74 119.19 3ir1 s LYS 140 Ca 0.69 -1.54 -0.30 0.00 -1.36 0.00 0.00 55.97 53.46 3ir1 s LYS 140 Cb -0.39 -0.35 -0.06 0.00 -1.68 0.00 0.00 37.83 35.36 3ir1 s LYS 140 CO 0.54 -0.11 1.31 0.34 -0.76 0.00 0.00 175.35 176.67 3ir1 s ASP 141 N -3.19 6.94 0.00 2.83 -1.08 -1.26 -1.93 116.67 118.98 3ir1 s ASP 141 Ca 0.24 2.07 0.00 0.00 -0.52 0.00 0.00 52.55 54.34 3ir1 s ASP 141 Cb 0.06 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 3ir1 s ASP 141 CO 0.04 -0.62 0.00 0.61 0.52 0.00 0.00 175.17 175.72 3ir1 n GLY 142 N 3.46 0.48 3.64 2.66 0.00 -0.27 -5.00 105.19 110.15 3ir1 n GLY 142 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 1.10 -4.79 1.61 7.64 -0.81 -4.34 113.62 114.03 3ir1 n SER 143 Ca 0.00 0.85 -0.36 0.00 1.01 0.00 0.00 58.87 60.37 3ir1 n SER 143 Cb 0.00 -1.42 -0.07 0.00 -1.01 0.00 0.00 64.21 61.71 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 -1.46 5.19 -0.07 0.44 -4.23 -1.26 -0.56 115.64 113.69 3ir1 s THR 144 Ca 0.75 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.36 3ir1 s THR 144 Cb -0.43 -3.28 0.02 0.00 1.34 0.00 0.00 72.50 70.16 3ir1 s THR 144 CO 0.48 0.57 -0.06 -0.69 -0.54 0.00 0.00 174.62 174.37 3ir1 s VAL 145 N -0.60 0.77 0.18 2.29 1.01 -0.40 -1.92 120.40 121.72 3ir1 s VAL 145 Ca 0.12 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 3ir1 s VAL 145 Cb -0.12 -0.79 -0.07 0.00 0.00 0.00 0.00 36.38 35.40 3ir1 s VAL 145 CO 0.02 0.30 0.52 -0.94 0.00 0.00 0.00 175.10 175.00 3ir1 s SER 146 N 1.26 6.69 0.03 3.32 1.04 -0.39 0.31 113.70 125.96 3ir1 s SER 146 Ca -0.05 0.94 -0.14 0.00 0.48 0.00 0.00 55.95 57.18 3ir1 s SER 146 Cb -0.14 -2.23 0.02 0.00 0.10 0.00 0.00 66.02 63.77 3ir1 s SER 146 CO -0.02 0.02 0.31 0.00 0.98 0.00 0.00 173.24 174.54 3ir1 s ALA 147 N -1.64 -0.74 0.52 5.32 0.00 0.99 -1.55 121.76 124.66 3ir1 s ALA 147 Ca 0.42 0.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.29 3ir1 s ALA 147 Cb -0.13 0.25 -0.06 0.00 0.00 0.00 0.00 23.12 23.18 3ir1 s ALA 147 CO 0.20 -0.37 1.26 -1.25 0.00 0.00 0.00 175.76 175.61 3ir1 s PRO 148 N -2.17 3.37 0.01 0.00 0.04 -1.26 -1.46 135.00 133.53 3ir1 s PRO 148 Ca -0.08 2.01 0.23 0.00 0.04 0.00 0.00 61.00 63.20 3ir1 s PRO 148 Cb -0.02 -2.28 0.17 0.00 0.04 0.00 0.00 34.50 32.41 3ir1 s PRO 148 CO -0.01 -0.94 1.17 0.27 0.04 0.00 0.00 177.00 177.53 3ir1 n ASN 149 N -0.88 0.68 -4.77 6.66 6.94 0.18 -3.83 115.26 120.24 3ir1 n ASN 149 Ca 0.09 -0.47 -0.39 0.00 -0.02 0.00 0.00 54.58 53.79 3ir1 n ASN 149 Cb 0.47 0.61 -0.01 0.00 -2.36 0.00 0.00 39.78 38.49 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 -3.21 6.36 0.22 0.53 -4.77 -1.26 -4.80 116.67 109.73 3ir1 s ASP 150 Ca 0.08 2.54 -0.11 0.00 -3.30 0.00 0.00 52.55 51.76 3ir1 s ASP 150 Cb 0.16 -2.63 0.30 0.00 -1.09 0.00 0.00 42.92 39.66 3ir1 s ASP 150 CO 0.78 -0.81 1.65 1.55 0.70 0.00 0.00 175.17 179.04 3ir1 h PRO 151 N 2.63 0.09 -0.21 2.11 0.13 -1.99 -0.59 132.00 134.17 3ir1 h PRO 151 Ca -0.49 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 3ir1 h PRO 151 Cb 1.24 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3ir1 h PRO 151 CO 0.62 0.06 -0.30 0.66 -0.23 0.00 0.00 178.00 178.81 3ir1 h SER 152 N 0.09 0.43 0.81 1.44 4.64 -1.89 -2.34 113.55 116.73 3ir1 h SER 152 Ca 0.33 -0.16 -0.24 0.00 -0.47 0.00 0.00 61.79 61.25 3ir1 h SER 152 Cb 0.53 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 3ir1 h SER 152 CO -0.57 0.72 -1.20 0.78 -0.87 0.00 0.00 176.83 175.69 3ir1 h ASN 153 N 0.37 0.11 -0.64 4.97 2.35 -1.85 -3.27 115.58 117.61 3ir1 h ASN 153 Ca 0.05 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 3ir1 h ASN 153 Cb 0.72 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.03 3ir1 h ASN 153 CO 0.06 1.10 0.23 0.15 -1.65 0.00 0.00 177.43 177.31 3ir1 h PHE 154 N 0.02 1.03 -0.93 1.19 3.57 -0.99 -2.27 116.94 118.55 3ir1 h PHE 154 Ca -0.10 -0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.41 3ir1 h PHE 154 Cb 1.86 -0.30 -0.07 0.00 2.79 0.00 0.00 35.95 40.23 3ir1 h PHE 154 CO 0.02 0.81 0.60 0.00 -2.23 0.00 0.00 178.31 177.50 3ir1 h ALA 155 N 1.27 1.54 -0.82 2.41 0.00 -1.47 -1.60 119.26 120.59 3ir1 h ALA 155 Ca 0.22 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3ir1 h ALA 155 Cb 0.25 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3ir1 h ALA 155 CO -0.01 0.29 0.55 0.00 0.00 0.00 0.00 179.25 180.07 3ir1 h ARG 156 N 1.00 1.08 -0.41 0.00 3.08 -1.48 -1.70 114.38 115.95 3ir1 h ARG 156 Ca 0.42 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.26 3ir1 h ARG 156 Cb 0.31 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3ir1 h ARG 156 CO -0.18 0.71 -0.31 0.28 -1.07 0.00 0.00 179.97 179.40 3ir1 h VAL 157 N 1.11 1.27 -0.36 2.04 2.07 -1.25 -0.56 116.25 120.57 3ir1 h VAL 157 Ca 0.30 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 3ir1 h VAL 157 Cb -0.12 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3ir1 h VAL 157 CO -0.07 0.50 0.20 -0.07 0.02 0.00 0.00 177.57 178.16 3ir1 h LEU 158 N 0.77 0.45 -0.90 2.57 3.38 -1.03 0.17 115.31 120.71 3ir1 h LEU 158 Ca 0.08 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3ir1 h LEU 158 Cb 0.89 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3ir1 h LEU 158 CO 0.08 0.40 0.27 0.58 0.09 0.00 0.00 178.44 179.87 3ir1 h VAL 159 N 0.46 1.25 -0.50 1.22 2.07 -1.24 -0.62 116.25 118.89 3ir1 h VAL 159 Ca 0.13 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 3ir1 h VAL 159 Cb 0.05 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3ir1 h VAL 159 CO -0.02 0.32 -0.03 0.24 0.02 0.00 0.00 177.57 178.09 3ir1 h MET 160 N 1.05 0.86 -0.25 1.57 2.86 -0.48 0.17 114.93 120.71 3ir1 h MET 160 Ca 0.24 -0.26 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 3ir1 h MET 160 Cb 0.22 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3ir1 h MET 160 CO -0.02 0.88 -0.28 -0.07 1.06 0.00 0.00 176.91 178.49 3ir1 h LEU 161 N 0.79 0.50 -0.17 1.22 3.38 -0.23 -0.45 115.31 120.36 3ir1 h LEU 161 Ca 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3ir1 h LEU 161 Cb 0.52 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3ir1 h LEU 161 CO 0.03 0.77 0.04 -0.78 0.09 0.00 0.00 178.44 178.58 3ir1 h ASP 162 N 0.44 0.26 -0.87 -0.43 3.58 -0.66 -0.49 116.42 118.25 3ir1 h ASP 162 Ca 0.06 -0.24 0.13 0.00 0.42 0.00 0.00 57.03 57.41 3ir1 h ASP 162 Cb 0.71 -0.07 -0.09 0.00 1.72 0.00 0.00 39.33 41.60 3ir1 h ASP 162 CO 0.05 0.43 0.48 -0.08 -2.88 0.00 0.00 179.24 177.24 3ir1 h GLU 163 N 0.08 0.70 0.00 0.28 4.57 -0.56 0.93 114.58 120.57 3ir1 h GLU 163 Ca 0.05 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3ir1 h GLU 163 Cb 0.27 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3ir1 h GLU 163 CO 0.00 0.46 0.00 -0.07 -1.18 0.00 0.00 179.01 178.22 3ir1 h LEU 164 N 0.72 0.00 0.00 1.64 3.38 -0.84 -3.47 115.31 116.75 3ir1 h LEU 164 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3ir1 h LEU 164 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3ir1 h LEU 164 CO -0.32 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.82 3ir1 n GLY 165 N 0.34 0.60 0.14 0.83 0.00 0.32 -4.95 105.19 102.48 3ir1 n GLY 165 Ca 0.02 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.26 1.61 6.55 -1.33 -3.45 115.95 115.08 3ir1 h TRP 166 Ca 0.00 0.00 -0.17 0.00 0.95 0.00 0.00 58.89 59.67 3ir1 h TRP 166 Cb 0.00 0.00 -0.13 0.00 -0.86 0.00 0.00 29.16 28.17 3ir1 h TRP 166 CO 0.00 0.00 -0.47 0.96 -1.05 0.00 0.00 178.44 177.88 3ir1 s ILE 167 N -3.31 0.03 -0.15 1.49 -4.36 -1.18 -1.29 121.20 112.42 3ir1 s ILE 167 Ca 0.02 -1.77 -0.00 0.00 -0.26 0.00 0.00 60.65 58.64 3ir1 s ILE 167 Cb 0.08 -2.26 0.04 0.00 1.25 0.00 0.00 42.46 41.57 3ir1 s ILE 167 CO 0.75 -0.12 -0.07 -0.75 0.24 0.00 0.00 174.94 174.99 3ir1 s LYS 168 N -4.08 1.56 0.32 0.37 2.47 0.13 -4.22 119.74 116.28 3ir1 s LYS 168 Ca 0.30 -0.47 -0.15 0.00 -1.56 0.00 0.00 55.97 54.08 3ir1 s LYS 168 Cb 0.05 -1.93 -0.09 0.00 -1.46 0.00 0.00 37.83 34.40 3ir1 s LYS 168 CO 0.08 -0.38 0.73 -0.51 0.16 0.00 0.00 175.35 175.44 3ir1 s LEU 169 N 1.63 4.08 0.84 5.43 1.43 -1.26 0.12 118.68 130.93 3ir1 s LEU 169 Ca 0.02 1.29 -0.13 0.00 -1.03 0.00 0.00 54.13 54.28 3ir1 s LEU 169 Cb -0.14 -4.05 0.10 0.00 0.03 0.00 0.00 46.19 42.12 3ir1 s LEU 169 CO -0.08 -0.19 1.19 0.29 0.23 0.00 0.00 176.35 177.79 3ir1 n LYS 170 N -0.30 0.03 -2.32 1.70 5.02 0.14 -4.57 118.16 117.86 3ir1 n LYS 170 Ca 0.03 0.09 -0.32 0.00 -2.02 0.00 0.00 58.31 56.10 3ir1 n LYS 170 Cb 0.53 -2.42 -0.02 0.00 -0.02 0.00 0.00 35.03 33.09 3ir1 n LYS 170 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ir1 s ASP 171 N -2.24 6.52 -1.95 4.39 1.01 -1.26 -4.20 116.67 118.94 3ir1 s ASP 171 Ca 0.72 1.48 0.00 0.00 0.71 0.00 0.00 52.55 55.46 3ir1 s ASP 171 Cb -0.28 -2.48 0.00 0.00 1.01 0.00 0.00 42.92 41.18 3ir1 s ASP 171 CO 0.52 -0.63 0.00 0.61 0.21 0.00 0.00 175.17 175.88 3ir1 n GLY 172 N -1.84 1.32 3.96 0.21 0.00 -1.26 -5.00 105.19 102.58 3ir1 n GLY 172 Ca 0.06 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.78 3.36 -0.55 -0.61 -0.00 -1.26 -5.03 121.20 114.33 3ir1 s ILE 173 Ca 0.00 -0.59 -0.25 0.00 -0.00 0.00 0.00 60.65 59.80 3ir1 s ILE 173 Cb 0.00 -3.24 0.04 0.00 -0.00 0.00 0.00 42.46 39.25 3ir1 s ILE 173 CO 0.00 -0.17 1.01 0.21 -0.00 0.00 0.00 174.94 175.99 3ir1 s ASN 174 N -4.32 6.37 0.48 4.36 2.47 -1.26 -4.91 114.94 118.14 3ir1 s ASN 174 Ca 0.53 -0.21 0.20 0.00 0.42 0.00 0.00 52.86 53.79 3ir1 s ASN 174 Cb -0.10 -2.47 1.21 0.00 -1.45 0.00 0.00 41.25 38.44 3ir1 s ASN 174 CO 0.38 -1.28 1.98 1.55 -3.72 0.00 0.00 177.10 176.00 3ir1 h PRO 175 N 9.36 0.21 0.00 0.43 0.13 -1.99 -1.52 132.00 138.63 3ir1 h PRO 175 Ca -0.26 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 3ir1 h PRO 175 Cb 1.07 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 3ir1 h PRO 175 CO 1.11 0.14 -0.08 -0.07 -0.23 0.00 0.00 178.00 178.87 3ir1 h LEU 176 N 0.21 0.00 -3.00 1.56 3.38 -1.94 -2.66 115.31 112.86 3ir1 h LEU 176 Ca 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 3ir1 h LEU 176 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3ir1 h LEU 176 CO -0.05 0.08 -0.06 0.35 0.09 0.00 0.00 178.44 178.85 3ir1 n THR 177 N -3.70 1.93 -1.61 0.22 -2.24 -0.60 -4.76 114.28 103.52 3ir1 n THR 177 Ca -0.02 -2.39 -0.47 0.00 -2.27 0.00 0.00 64.05 58.90 3ir1 n THR 177 Cb 0.18 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.40 0.00 -2.27 6.98 0.00 -1.00 -4.98 120.51 117.84 3ir1 n ALA 178 Ca 0.16 0.43 -0.17 0.00 0.00 0.00 0.00 53.44 53.86 3ir1 n ALA 178 Cb 0.65 -2.12 -0.09 0.00 0.00 0.00 0.00 19.45 17.89 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 0.03 1.23 0.39 0.00 1.04 -1.26 -3.97 113.70 111.15 3ir1 s SER 179 Ca 0.69 -1.63 0.11 0.00 0.48 0.00 0.00 55.95 55.61 3ir1 s SER 179 Cb -0.76 0.49 0.91 0.00 0.10 0.00 0.00 66.02 66.76 3ir1 s SER 179 CO 0.52 -0.98 1.90 0.11 0.98 0.00 0.00 173.24 175.78 3ir1 h LYS 180 N 2.28 0.56 0.00 4.02 1.79 -1.98 0.10 116.57 123.34 3ir1 h LYS 180 Ca -0.29 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.13 3ir1 h LYS 180 Cb 1.24 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3ir1 h LYS 180 CO 0.43 0.37 -0.06 0.00 -1.08 0.00 0.00 179.45 179.12 3ir1 h ALA 181 N 1.62 1.73 -0.07 3.86 0.00 -1.99 -1.92 119.26 122.49 3ir1 h ALA 181 Ca 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3ir1 h ALA 181 Cb 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3ir1 h ALA 181 CO -0.16 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 178.91 3ir1 n ASP 182 N -4.22 0.64 -4.63 0.00 8.00 0.35 -4.80 116.55 111.89 3ir1 n ASP 182 Ca -0.03 -1.59 -0.42 0.00 0.71 0.00 0.00 54.79 53.46 3ir1 n ASP 182 Cb 0.14 -0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.91 4.69 -0.07 0.53 1.01 -0.72 0.28 121.20 125.01 3ir1 s ILE 183 Ca 0.27 1.50 -0.20 0.00 0.00 0.00 0.00 60.65 62.22 3ir1 s ILE 183 Cb 0.13 -4.25 -0.15 0.00 0.01 0.00 0.00 42.46 38.20 3ir1 s ILE 183 CO 0.21 -0.31 0.76 0.00 0.00 0.00 0.00 174.94 175.60 3ir1 h ALA 184 N 8.00 -0.17 -3.37 9.38 0.00 0.62 -3.45 119.26 130.26 3ir1 h ALA 184 Ca -0.22 -0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.20 3ir1 h ALA 184 Cb 1.08 0.07 -0.32 0.00 0.00 0.00 0.00 17.79 18.62 3ir1 h ALA 184 CO 0.94 -0.23 -0.64 -1.21 0.00 0.00 0.00 179.25 178.11 3ir1 s GLU 185 N -3.06 0.06 -1.20 0.00 2.02 -0.49 -4.99 118.70 111.03 3ir1 s GLU 185 Ca -0.12 0.28 -0.13 0.00 0.02 0.00 0.00 54.97 55.02 3ir1 s GLU 185 Cb -0.00 -0.17 0.18 0.00 0.10 0.00 0.00 34.13 34.24 3ir1 s GLU 185 CO 0.45 -0.14 1.41 1.21 0.02 0.00 0.00 175.26 178.20 3ir1 s ASN 186 N 0.98 7.10 0.23 -0.19 3.84 -1.26 0.17 114.94 125.81 3ir1 s ASN 186 Ca -0.08 -3.06 -0.14 0.00 0.21 0.00 0.00 52.86 49.79 3ir1 s ASN 186 Cb -0.10 -2.38 0.27 0.00 -0.55 0.00 0.00 41.25 38.49 3ir1 s ASN 186 CO -0.04 -0.70 1.59 -0.07 -2.79 0.00 0.00 177.10 175.09 3ir1 h LEU 187 N 9.43 -0.88 -2.41 3.21 3.38 -1.86 -0.69 115.31 125.48 3ir1 h LEU 187 Ca 0.31 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.52 3ir1 h LEU 187 Cb 0.87 0.53 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3ir1 h LEU 187 CO 1.23 -0.27 0.00 0.29 0.09 0.00 0.00 178.44 179.77 3ir1 n LYS 188 N -5.49 2.59 -3.89 1.13 4.76 -0.41 -4.94 118.16 111.91 3ir1 n LYS 188 Ca 0.09 -2.34 -0.27 0.00 -2.87 0.00 0.00 58.31 52.92 3ir1 n LYS 188 Cb 0.39 -1.54 0.01 0.00 -1.84 0.00 0.00 35.03 32.06 3ir1 n LYS 188 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3ir1 n ASN 189 N 1.34 -2.71 -4.76 4.39 4.13 -0.27 -1.12 115.26 116.26 3ir1 n ASN 189 Ca 0.22 -0.86 -0.41 0.00 1.68 0.00 0.00 54.58 55.21 3ir1 n ASN 189 Cb 0.57 -3.67 -0.02 0.00 -1.54 0.00 0.00 39.78 35.13 3ir1 n ASN 189 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3ir1 s ILE 190 N -3.53 2.49 -0.48 2.41 -1.09 -1.26 -2.65 121.20 117.10 3ir1 s ILE 190 Ca 0.35 0.46 -0.16 0.00 -2.23 0.00 0.00 60.65 59.06 3ir1 s ILE 190 Cb -0.18 -3.29 0.06 0.00 -1.58 0.00 0.00 42.46 37.47 3ir1 s ILE 190 CO 0.85 0.09 0.45 -0.54 -1.23 0.00 0.00 174.94 174.56 3ir1 s LYS 191 N -1.23 3.02 -0.29 2.79 -0.14 0.28 -4.98 119.74 119.19 3ir1 s LYS 191 Ca 0.55 -1.19 -0.23 0.00 -1.36 0.00 0.00 55.97 53.73 3ir1 s LYS 191 Cb -0.43 -4.11 -0.00 0.00 -1.68 0.00 0.00 37.83 31.61 3ir1 s LYS 191 CO 0.51 -1.06 0.77 0.42 -0.76 0.00 0.00 175.35 175.24 3ir1 s ILE 192 N 1.92 4.83 -0.31 2.17 1.01 -1.26 -1.28 121.20 128.28 3ir1 s ILE 192 Ca 0.07 1.24 -0.13 0.00 0.00 0.00 0.00 60.65 61.83 3ir1 s ILE 192 Cb -0.22 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 3ir1 s ILE 192 CO 0.08 -0.18 0.29 -0.69 0.00 0.00 0.00 174.94 174.44 3ir1 s VAL 193 N 2.88 5.24 -0.21 2.92 1.01 0.15 -4.96 120.40 127.43 3ir1 s VAL 193 Ca 0.32 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.33 3ir1 s VAL 193 Cb -0.14 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 3ir1 s VAL 193 CO 0.11 0.07 0.12 -1.61 0.00 0.00 0.00 175.10 173.79 3ir1 s GLU 194 N 1.89 4.12 0.23 2.72 2.02 -1.26 -0.01 118.70 128.41 3ir1 s GLU 194 Ca 0.10 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 54.84 3ir1 s GLU 194 Cb -0.16 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.61 3ir1 s GLU 194 CO 0.11 0.24 0.09 -0.51 0.02 0.00 0.00 175.26 175.20 3ir1 s LEU 195 N 0.53 1.62 0.31 1.80 1.02 -0.53 -4.86 118.68 118.58 3ir1 s LEU 195 Ca 0.07 -1.34 -0.29 0.00 0.02 0.00 0.00 54.13 52.59 3ir1 s LEU 195 Cb -0.12 0.09 -0.10 0.00 0.02 0.00 0.00 46.19 46.08 3ir1 s LEU 195 CO -0.00 -0.73 1.38 -1.61 0.02 0.00 0.00 176.35 175.41 3ir1 s GLU 196 N -4.04 4.29 0.28 1.70 2.02 -1.26 -0.65 118.70 121.04 3ir1 s GLU 196 Ca 0.35 2.30 -0.00 0.00 0.02 0.00 0.00 54.97 57.64 3ir1 s GLU 196 Cb 0.07 -3.07 0.64 0.00 0.10 0.00 0.00 34.13 31.88 3ir1 s GLU 196 CO 0.11 -0.32 1.64 0.00 0.02 0.00 0.00 175.26 176.71 3ir1 h ALA 197 N 3.86 1.13 0.00 5.21 0.00 -1.93 -0.28 119.26 127.26 3ir1 h ALA 197 Ca -0.48 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3ir1 h ALA 197 Cb 1.23 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 3ir1 h ALA 197 CO 0.69 -0.46 -0.00 0.00 0.00 0.00 0.00 179.25 179.48 3ir1 h ALA 198 N 1.78 1.10 -0.04 0.00 0.00 -1.90 -2.37 119.26 117.83 3ir1 h ALA 198 Ca 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3ir1 h ALA 198 Cb 1.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3ir1 h ALA 198 CO -0.68 0.00 0.00 1.04 0.00 0.00 0.00 179.25 179.61 3ir1 n GLN 199 N -3.23 1.86 -0.21 0.00 6.02 -0.11 -4.43 117.38 117.27 3ir1 n GLN 199 Ca -0.03 -1.25 -0.06 0.00 -0.01 0.00 0.00 57.00 55.65 3ir1 n GLN 199 Cb 0.07 -1.47 0.03 0.00 1.02 0.00 0.00 30.24 29.90 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 2.98 0.72 -0.74 1.08 3.38 -1.51 -2.69 115.31 118.52 3ir1 h LEU 200 Ca 0.00 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.00 3ir1 h LEU 200 Cb 0.63 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 3ir1 h LEU 200 CO 0.00 0.57 0.39 -0.65 0.09 0.00 0.00 178.44 178.84 3ir1 h PRO 201 N 0.81 0.64 -0.19 1.13 0.11 -1.82 -1.16 132.00 131.52 3ir1 h PRO 201 Ca 0.21 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3ir1 h PRO 201 Cb -0.01 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 30.95 3ir1 h PRO 201 CO -0.04 0.42 0.00 2.89 -0.21 0.00 0.00 178.00 181.06 3ir1 n ARG 202 N -4.83 1.61 0.17 1.05 1.85 -1.15 -3.30 116.66 112.06 3ir1 n ARG 202 Ca 0.12 -0.93 0.12 0.00 -1.00 0.00 0.00 57.85 56.16 3ir1 n ARG 202 Cb 0.27 -1.32 0.24 0.00 -1.05 0.00 0.00 32.46 30.60 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 1.73 0.00 -0.64 2.89 4.64 -0.87 -3.31 113.55 117.99 3ir1 h SER 203 Ca 0.00 -0.01 0.19 0.00 -0.47 0.00 0.00 61.79 61.50 3ir1 h SER 203 Cb 0.38 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 3ir1 h SER 203 CO 0.00 0.00 0.57 0.03 -0.87 0.00 0.00 176.83 176.56 3ir1 h ARG 204 N 0.00 0.00 0.00 4.77 3.08 -1.62 0.25 114.38 120.86 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 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 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 1.47 1.00 -0.01 0.04 0.00 -1.86 -3.16 119.26 116.74 3ir1 h ALA 205 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3ir1 h ALA 205 Cb 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3ir1 h ALA 205 CO -0.00 0.00 -0.20 -0.25 0.00 0.00 0.00 179.25 178.80 3ir1 n ASP 206 N -2.72 1.34 -4.22 0.00 8.00 0.85 -4.87 116.55 114.94 3ir1 n ASP 206 Ca 0.04 -1.17 -0.13 0.00 0.71 0.00 0.00 54.79 54.24 3ir1 n ASP 206 Cb 0.42 0.41 -0.10 0.00 -0.02 0.00 0.00 41.12 41.83 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 -1.36 0.61 0.08 2.53 -7.23 -1.00 -5.02 120.40 109.02 3ir1 s VAL 207 Ca 0.09 -1.97 -0.17 0.00 -1.81 0.00 0.00 61.98 58.13 3ir1 s VAL 207 Cb 0.09 -2.05 -0.09 0.00 0.56 0.00 0.00 36.38 34.89 3ir1 s VAL 207 CO 0.25 -0.53 1.46 0.44 -0.31 0.00 0.00 175.10 176.41 3ir1 h ASP 208 N 2.75 0.55 -4.70 4.85 3.45 -1.78 0.53 116.42 122.08 3ir1 h ASP 208 Ca -0.36 -0.40 -0.23 0.00 0.43 0.00 0.00 57.03 56.47 3ir1 h ASP 208 Cb 1.20 -0.15 -0.22 0.00 -0.56 0.00 0.00 39.33 39.59 3ir1 h ASP 208 CO 0.63 0.83 -0.72 -0.36 -1.57 0.00 0.00 179.24 178.04 3ir1 s PHE 209 N -4.64 0.43 -0.08 4.55 0.08 -0.81 -0.50 117.98 117.01 3ir1 s PHE 209 Ca -0.13 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.50 3ir1 s PHE 209 Cb 0.08 -0.27 0.01 0.00 -0.57 0.00 0.00 43.02 42.26 3ir1 s PHE 209 CO 0.78 -0.11 -0.14 0.00 -0.10 0.00 0.00 175.22 175.64 3ir1 s ALA 210 N -1.20 1.48 -0.43 5.36 0.00 -0.68 -1.26 121.76 125.03 3ir1 s ALA 210 Ca -0.11 -0.56 -0.16 0.00 0.00 0.00 0.00 51.96 51.13 3ir1 s ALA 210 Cb -0.09 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.40 3ir1 s ALA 210 CO -0.00 0.08 0.38 0.08 0.00 0.00 0.00 175.76 176.31 3ir1 s VAL 211 N 0.72 5.17 -0.11 0.00 1.01 -0.60 0.54 120.40 127.13 3ir1 s VAL 211 Ca -0.13 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 3ir1 s VAL 211 Cb -0.16 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 3ir1 s VAL 211 CO 0.03 -0.42 -0.07 -0.69 0.00 0.00 0.00 175.10 173.95 3ir1 s VAL 212 N 1.90 3.64 0.34 2.92 1.01 -0.55 -4.41 120.40 125.24 3ir1 s VAL 212 Ca 0.08 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 3ir1 s VAL 212 Cb -0.19 -2.53 -0.11 0.00 0.00 0.00 0.00 36.38 33.55 3ir1 s VAL 212 CO 0.11 0.55 1.39 0.20 0.00 0.00 0.00 175.10 177.35 3ir1 s ASN 213 N -0.18 6.60 0.26 3.32 -0.87 -1.26 -3.19 114.94 119.62 3ir1 s ASN 213 Ca 0.02 2.83 -0.01 0.00 -1.57 0.00 0.00 52.86 54.13 3ir1 s ASN 213 Cb -0.13 -2.65 0.54 0.00 -0.02 0.00 0.00 41.25 38.98 3ir1 s ASN 213 CO 0.03 -0.68 1.75 1.23 -2.57 0.00 0.00 177.10 176.85 3ir1 h GLY 214 N 3.41 1.34 1.04 0.66 0.00 -1.69 -0.71 103.07 107.13 3ir1 h GLY 214 Ca -0.49 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 46.55 3ir1 h GLY 214 CO 0.66 -0.07 0.17 3.45 0.00 0.00 0.00 176.54 180.75 3ir1 h ASN 215 N 0.56 1.00 0.41 0.19 -1.07 -1.91 -1.68 115.58 113.08 3ir1 h ASN 215 Ca 0.46 -0.23 -0.19 0.00 0.07 0.00 0.00 56.30 56.42 3ir1 h ASN 215 Cb 0.69 -0.26 -0.01 0.00 -2.07 0.00 0.00 38.32 36.67 3ir1 h ASN 215 CO -0.39 0.96 -0.78 1.88 0.07 0.00 0.00 177.43 179.18 3ir1 h TYR 216 N 0.98 0.41 0.18 4.14 0.99 -1.83 -2.09 116.97 119.75 3ir1 h TYR 216 Ca 0.21 -0.20 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 3ir1 h TYR 216 Cb 0.35 -0.06 0.00 0.00 1.00 0.00 0.00 36.73 38.03 3ir1 h TYR 216 CO 0.03 0.96 -0.09 0.00 -0.00 0.00 0.00 178.16 179.06 3ir1 h ALA 217 N 0.98 -0.25 -0.41 3.88 0.00 -0.91 -2.30 119.26 120.26 3ir1 h ALA 217 Ca -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ir1 h ALA 217 Cb 1.37 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 3ir1 h ALA 217 CO 0.13 -0.62 0.23 0.82 0.00 0.00 0.00 179.25 179.80 3ir1 h ILE 218 N -0.28 1.14 0.00 0.00 1.08 -1.31 -0.82 117.51 117.33 3ir1 h ILE 218 Ca -0.03 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 3ir1 h ILE 218 Cb 0.21 0.64 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 3ir1 h ILE 218 CO 0.04 0.15 0.00 -1.54 -0.69 0.00 0.00 178.15 176.11 3ir1 n SER 219 N -4.74 0.00 -0.77 1.72 3.41 -0.79 -2.38 113.62 110.07 3ir1 n SER 219 Ca 0.00 0.02 0.07 0.00 -0.26 0.00 0.00 58.87 58.71 3ir1 n SER 219 Cb 0.07 -0.29 0.21 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.29 3.47 0.00 4.04 3.41 -0.87 -4.97 113.62 117.41 3ir1 n SER 220 Ca 0.09 -2.61 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 3ir1 n SER 220 Cb 0.16 -0.41 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 -0.13 0.83 3.87 5.00 0.00 -1.00 -5.05 105.19 108.71 3ir1 n GLY 221 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.30 3.49 0.01 1.61 -1.94 -0.35 -5.01 119.30 116.81 3ir1 s MET 222 Ca 0.00 0.68 0.08 0.00 -1.71 0.00 0.00 55.69 54.74 3ir1 s MET 222 Cb 0.00 -2.09 -0.03 0.00 2.01 0.00 0.00 34.83 34.73 3ir1 s MET 222 CO 0.00 -0.62 -0.22 0.15 -0.01 0.00 0.00 175.02 174.32 3ir1 s LYS 223 N -5.19 2.05 0.37 2.03 1.02 -1.26 -4.26 119.74 114.51 3ir1 s LYS 223 Ca 0.55 -0.97 0.04 0.00 0.02 0.00 0.00 55.97 55.61 3ir1 s LYS 223 Cb -0.11 -2.11 0.73 0.00 -0.52 0.00 0.00 37.83 35.82 3ir1 s LYS 223 CO 0.53 0.55 2.02 -0.07 -0.92 0.00 0.00 175.35 177.46 3ir1 h LEU 224 N 4.96 0.62 -0.64 3.17 3.38 -1.96 -0.79 115.31 124.05 3ir1 h LEU 224 Ca -0.46 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3ir1 h LEU 224 Cb 1.14 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3ir1 h LEU 224 CO 0.46 0.45 0.00 0.35 0.09 0.00 0.00 178.44 179.79 3ir1 n THR 225 N -4.46 1.13 0.64 0.22 -2.24 -1.26 -1.97 114.28 106.34 3ir1 n THR 225 Ca 0.06 0.42 0.13 0.00 -2.27 0.00 0.00 64.05 62.39 3ir1 n THR 225 Cb 0.07 -1.35 0.36 0.00 -2.10 0.00 0.00 70.33 67.30 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 -1.97 0.25 -1.94 -0.78 1.02 -0.30 -4.88 120.64 112.05 3ir1 n GLU 226 Ca 0.01 0.17 -0.41 0.00 -0.02 0.00 0.00 57.16 56.91 3ir1 n GLU 226 Cb 0.12 -1.76 -0.01 0.00 -0.02 0.00 0.00 31.44 29.77 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 -3.11 3.55 -0.30 0.62 0.00 -0.83 -4.50 121.76 117.19 3ir1 s ALA 227 Ca 0.10 1.43 0.23 0.00 0.00 0.00 0.00 51.96 53.72 3ir1 s ALA 227 Cb 0.13 -3.55 0.11 0.00 0.00 0.00 0.00 23.12 19.81 3ir1 s ALA 227 CO 0.63 -0.86 1.23 -0.07 0.00 0.00 0.00 175.76 176.68 3ir1 h LEU 228 N 3.37 0.00 -7.03 0.00 3.38 -0.97 -3.46 115.31 110.60 3ir1 h LEU 228 Ca -0.50 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 3ir1 h LEU 228 Cb 1.23 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.77 3ir1 h LEU 228 CO 0.66 0.00 -0.00 0.12 0.09 0.00 0.00 178.44 179.31 3ir1 s PHE 229 N -3.31 -0.97 0.09 1.13 5.36 -1.19 -4.96 117.98 114.13 3ir1 s PHE 229 Ca 0.02 2.01 0.05 0.00 -0.96 0.00 0.00 56.93 58.04 3ir1 s PHE 229 Cb 0.08 0.54 -0.04 0.00 -0.34 0.00 0.00 43.02 43.26 3ir1 s PHE 229 CO 0.75 -0.48 -0.02 -0.65 -1.46 0.00 0.00 175.22 173.36 3ir1 s GLN 230 N 1.41 2.50 0.10 10.12 -0.21 -1.26 -0.61 119.66 131.70 3ir1 s GLN 230 Ca -0.08 -0.85 -0.31 0.00 0.02 0.00 0.00 55.36 54.14 3ir1 s GLN 230 Cb -0.05 -2.51 -0.10 0.00 1.00 0.00 0.00 33.01 31.35 3ir1 s GLN 230 CO -0.16 0.54 1.88 -2.00 -2.12 0.00 0.00 175.29 173.43 3ir1 s GLU 231 N -2.24 4.14 0.10 2.91 2.12 -0.57 -4.92 118.70 120.24 3ir1 s GLU 231 Ca 0.25 2.61 -0.15 0.00 0.36 0.00 0.00 54.97 58.04 3ir1 s GLU 231 Cb -0.12 -3.77 -0.06 0.00 0.26 0.00 0.00 34.13 30.44 3ir1 s GLU 231 CO 0.17 -0.88 1.48 -1.35 -0.54 0.00 0.00 175.26 174.14 3ir1 h PRO 232 N 9.25 0.66 -6.71 4.30 0.11 -1.98 -3.47 132.00 134.16 3ir1 h PRO 232 Ca -0.47 -0.28 -0.58 0.00 0.11 0.00 0.00 66.00 64.78 3ir1 h PRO 232 Cb 1.22 -0.02 0.16 0.00 0.11 0.00 0.00 31.00 32.47 3ir1 h PRO 232 CO 0.95 0.86 0.02 0.45 -0.21 0.00 0.00 178.00 180.07 3ir1 n SER 233 N -4.39 0.50 -0.54 -2.05 2.88 -1.26 -4.94 113.62 103.83 3ir1 n SER 233 Ca -0.03 0.85 0.05 0.00 -1.33 0.00 0.00 58.87 58.41 3ir1 n SER 233 Cb 0.37 -1.33 0.12 0.00 -0.75 0.00 0.00 64.21 62.62 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 -1.38 0.34 1.62 0.66 3.72 -1.26 -4.61 117.46 116.55 3ir1 n PHE 234 Ca 0.12 -0.41 0.15 0.00 -0.05 0.00 0.00 57.45 57.25 3ir1 n PHE 234 Cb 0.45 -0.02 0.81 0.00 -0.94 0.00 0.00 39.48 39.77 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 0.43 2.52 -0.95 4.37 0.00 -1.26 -3.73 120.51 121.88 3ir1 n ALA 235 Ca 0.09 -0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.46 3ir1 n ALA 235 Cb 0.38 -1.48 0.21 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.14 0.57 -2.04 0.00 4.01 -1.26 -4.63 117.16 112.66 3ir1 n TYR 236 Ca 0.18 -0.89 -0.42 0.00 -0.16 0.00 0.00 57.90 56.61 3ir1 n TYR 236 Cb 0.16 -0.24 -0.03 0.00 -0.31 0.00 0.00 39.34 38.93 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 -2.71 2.93 0.73 -0.72 1.01 -1.24 -4.68 120.40 115.71 3ir1 s VAL 237 Ca 0.37 0.67 -0.14 0.00 0.00 0.00 0.00 61.98 62.87 3ir1 s VAL 237 Cb 0.30 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 33.29 3ir1 s VAL 237 CO 0.07 0.05 1.15 0.20 0.00 0.00 0.00 175.10 176.58 3ir1 s ASN 238 N 1.09 4.42 0.14 3.32 -0.87 -1.26 -4.52 114.94 117.25 3ir1 s ASN 238 Ca 0.67 2.16 0.08 0.00 -1.57 0.00 0.00 52.86 54.20 3ir1 s ASN 238 Cb -0.41 -2.57 -0.04 0.00 -0.02 0.00 0.00 41.25 38.22 3ir1 s ASN 238 CO 0.31 -2.10 -0.18 0.26 -2.57 0.00 0.00 177.10 172.82 3ir1 s TRP 239 N -2.27 1.75 0.40 2.20 0.52 0.15 -1.51 118.94 120.18 3ir1 s TRP 239 Ca 0.70 -0.46 -0.09 0.00 0.02 0.00 0.00 56.10 56.26 3ir1 s TRP 239 Cb -0.24 -0.90 -0.06 0.00 -1.15 0.00 0.00 33.47 31.12 3ir1 s TRP 239 CO 0.46 0.27 0.75 -1.54 0.02 0.00 0.00 176.95 176.91 3ir1 s SER 240 N -2.41 6.48 0.02 2.95 1.04 0.18 -4.17 113.70 117.80 3ir1 s SER 240 Ca 0.12 1.07 0.00 0.00 0.48 0.00 0.00 55.95 57.62 3ir1 s SER 240 Cb -0.07 -2.30 -0.02 0.00 0.10 0.00 0.00 66.02 63.73 3ir1 s SER 240 CO 0.05 -0.40 -0.04 0.00 0.98 0.00 0.00 173.24 173.84 3ir1 s ALA 241 N -2.38 0.19 0.21 5.32 0.00 -0.16 -1.21 121.76 123.73 3ir1 s ALA 241 Ca 0.50 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.82 3ir1 s ALA 241 Cb -0.10 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 3ir1 s ALA 241 CO 0.33 -0.14 0.19 0.14 0.00 0.00 0.00 175.76 176.29 3ir1 s VAL 242 N -1.43 0.00 0.29 0.00 -7.23 -0.46 -1.45 120.40 110.12 3ir1 s VAL 242 Ca -0.15 -1.89 -0.29 0.00 -1.81 0.00 0.00 61.98 57.84 3ir1 s VAL 242 Cb -0.10 -2.45 -0.10 0.00 0.56 0.00 0.00 36.38 34.30 3ir1 s VAL 242 CO -0.01 0.00 1.31 -0.54 -0.31 0.00 0.00 175.10 175.56 3ir1 s LYS 243 N -4.13 4.37 0.28 4.82 1.02 -1.26 -0.89 119.74 123.95 3ir1 s LYS 243 Ca 0.36 2.17 0.02 0.00 0.02 0.00 0.00 55.97 58.54 3ir1 s LYS 243 Cb 0.06 -3.11 0.69 0.00 -0.52 0.00 0.00 37.83 34.95 3ir1 s LYS 243 CO 0.12 -0.21 1.68 1.15 -0.92 0.00 0.00 175.35 177.17 3ir1 h THR 244 N 3.27 0.45 -0.42 2.17 2.02 -1.53 -0.55 112.91 118.32 3ir1 h THR 244 Ca -0.47 -0.12 0.12 0.00 0.77 0.00 0.00 66.41 66.71 3ir1 h THR 244 Cb 1.22 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3ir1 h THR 244 CO 0.70 0.06 0.50 0.00 0.37 0.00 0.00 175.52 177.15 3ir1 h ALA 245 N 1.71 2.12 -0.23 6.16 0.00 -1.90 -0.89 119.26 126.24 3ir1 h ALA 245 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3ir1 h ALA 245 Cb 1.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3ir1 h ALA 245 CO -0.55 -0.71 0.00 -0.25 0.00 0.00 0.00 179.25 177.74 3ir1 n ASP 246 N -3.61 3.18 -0.47 0.00 8.00 -0.21 -4.64 116.55 118.80 3ir1 n ASP 246 Ca 0.08 -1.96 0.39 0.00 0.71 0.00 0.00 54.79 54.00 3ir1 n ASP 246 Cb 0.67 -0.14 0.67 0.00 -0.02 0.00 0.00 41.12 42.30 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 4.34 0.06 0.00 -1.24 1.63 -1.20 -0.97 116.57 119.20 3ir1 h LYS 247 Ca 0.00 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3ir1 h LYS 247 Cb 0.95 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.56 3ir1 h LYS 247 CO 0.00 0.04 -1.87 -3.47 -3.45 0.00 0.00 179.45 170.71 3ir1 n ASP 248 N -4.63 0.13 -2.68 4.20 2.03 -1.26 -4.93 116.55 109.41 3ir1 n ASP 248 Ca 0.38 0.05 -0.24 0.00 0.52 0.00 0.00 54.79 55.50 3ir1 n ASP 248 Cb 1.49 1.74 0.01 0.00 -0.72 0.00 0.00 41.12 43.65 3ir1 n ASP 248 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3ir1 n SER 249 N -2.34 -2.74 0.06 1.67 3.41 -0.37 -4.74 113.62 108.57 3ir1 n SER 249 Ca -0.04 0.34 -0.06 0.00 -0.26 0.00 0.00 58.87 58.84 3ir1 n SER 249 Cb 0.58 -0.53 0.10 0.00 -0.26 0.00 0.00 64.21 64.11 3ir1 n SER 249 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3ir1 h GLN 250 N -0.17 0.34 -0.65 4.33 5.75 -1.96 -2.92 115.11 119.83 3ir1 h GLN 250 Ca -0.27 -0.22 -0.05 0.00 -0.15 0.00 0.00 58.65 57.96 3ir1 h GLN 250 Cb 0.90 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.45 3ir1 h GLN 250 CO 0.24 0.83 0.20 0.11 -2.65 0.00 0.00 178.83 177.55 3ir1 h TRP 251 N 0.26 1.04 -0.47 3.99 5.08 -1.96 -1.60 115.95 122.29 3ir1 h TRP 251 Ca -0.00 -0.11 -0.02 0.00 1.08 0.00 0.00 58.89 59.85 3ir1 h TRP 251 Cb 1.09 -0.30 -0.02 0.00 -3.00 0.00 0.00 29.16 26.93 3ir1 h TRP 251 CO 0.03 0.85 0.22 1.25 -1.28 0.00 0.00 178.44 179.51 3ir1 h LEU 252 N 0.94 0.58 -0.12 0.11 5.85 -1.87 -0.64 115.31 120.16 3ir1 h LEU 252 Ca 0.21 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.89 3ir1 h LEU 252 Cb 0.30 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3ir1 h LEU 252 CO -0.01 0.50 0.02 0.50 -0.34 0.00 0.00 178.44 179.11 3ir1 h LYS 253 N 0.65 0.07 -0.27 1.25 3.11 -1.13 -0.98 116.57 119.27 3ir1 h LYS 253 Ca 0.16 -0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.93 3ir1 h LYS 253 Cb 0.07 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.27 3ir1 h LYS 253 CO -0.02 0.05 -0.14 -0.44 -2.81 0.00 0.00 179.45 176.08 3ir1 h ASP 254 N 0.07 0.44 0.11 4.20 3.32 -0.58 -2.60 116.42 121.39 3ir1 h ASP 254 Ca 0.05 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3ir1 h ASP 254 Cb 0.04 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3ir1 h ASP 254 CO -0.07 0.62 -0.05 0.58 -1.72 0.00 0.00 179.24 178.60 3ir1 h VAL 255 N 0.42 1.04 -1.00 -1.35 2.07 -0.58 -1.54 116.25 115.31 3ir1 h VAL 255 Ca 0.08 -0.59 0.08 0.00 0.82 0.00 0.00 66.70 67.09 3ir1 h VAL 255 Cb 0.51 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 3ir1 h VAL 255 CO 0.03 0.14 0.64 0.71 0.02 0.00 0.00 177.57 179.12 3ir1 h THR 256 N -0.42 1.04 -0.47 2.57 1.35 -1.13 -0.88 112.91 114.97 3ir1 h THR 256 Ca -0.02 -0.38 -0.01 0.00 -0.55 0.00 0.00 66.41 65.45 3ir1 h THR 256 Cb 0.35 -0.18 -0.02 0.00 -1.73 0.00 0.00 68.15 66.57 3ir1 h THR 256 CO 0.02 0.20 0.25 -0.33 -0.25 0.00 0.00 175.52 175.42 3ir1 h GLU 257 N 1.12 0.66 0.00 4.72 5.08 -1.31 -1.08 114.58 123.77 3ir1 h GLU 257 Ca 0.45 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 3ir1 h GLU 257 Cb 0.26 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ir1 h GLU 257 CO -0.20 0.53 -0.07 0.00 -1.00 0.00 0.00 179.01 178.27 3ir1 h ALA 258 N 1.09 1.59 -0.09 3.43 0.00 -0.18 -0.69 119.26 124.41 3ir1 h ALA 258 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ir1 h ALA 258 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ir1 h ALA 258 CO -0.02 0.09 0.00 0.66 0.00 0.00 0.00 179.25 179.98 3ir1 n TYR 259 N -4.03 0.10 -0.81 0.00 4.01 -0.45 -4.17 117.16 111.80 3ir1 n TYR 259 Ca -0.03 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3ir1 n TYR 259 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 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 0.23 0.36 -4.79 7.72 3.02 -0.38 -4.92 115.26 116.49 3ir1 n ASN 260 Ca 0.18 -1.17 -0.30 0.00 -0.03 0.00 0.00 54.58 53.25 3ir1 n ASN 260 Cb 0.34 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.59 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 -0.17 4.65 0.25 6.41 1.04 -0.51 -4.87 113.70 120.51 3ir1 s SER 261 Ca 0.00 1.55 -0.06 0.00 0.48 0.00 0.00 55.95 57.92 3ir1 s SER 261 Cb 0.00 -2.32 0.27 0.00 0.10 0.00 0.00 66.02 64.07 3ir1 s SER 261 CO 0.00 -1.90 1.92 0.44 0.98 0.00 0.00 173.24 174.68 3ir1 h ASP 262 N -1.04 1.13 -0.47 7.02 3.32 -1.96 -1.60 116.42 122.83 3ir1 h ASP 262 Ca -0.45 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 56.56 3ir1 h ASP 262 Cb 1.24 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 3ir1 h ASP 262 CO 0.56 0.84 0.30 0.00 -1.72 0.00 0.00 179.24 179.22 3ir1 h ALA 263 N 1.36 0.59 -0.53 3.45 0.00 -1.96 0.31 119.26 122.48 3ir1 h ALA 263 Ca 0.35 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 3ir1 h ALA 263 Cb -0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3ir1 h ALA 263 CO -0.07 0.03 0.11 0.35 0.00 0.00 0.00 179.25 179.67 3ir1 h PHE 264 N 0.62 0.86 -0.24 0.00 3.57 -1.70 0.42 116.94 120.46 3ir1 h PHE 264 Ca 0.17 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3ir1 h PHE 264 Cb -0.05 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 3ir1 h PHE 264 CO -0.05 0.73 0.05 0.87 -2.23 0.00 0.00 178.31 177.68 3ir1 h LYS 265 N 0.79 0.39 -0.54 1.11 1.57 -0.66 0.32 116.57 119.56 3ir1 h LYS 265 Ca 0.17 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3ir1 h LYS 265 Cb 0.31 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3ir1 h LYS 265 CO 0.00 0.51 0.21 0.00 -0.57 0.00 0.00 179.45 179.61 3ir1 h ALA 266 N 0.87 1.36 0.31 3.86 0.00 -0.65 -1.50 119.26 123.51 3ir1 h ALA 266 Ca 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3ir1 h ALA 266 Cb 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ir1 h ALA 266 CO 0.00 0.48 -0.15 -0.92 0.00 0.00 0.00 179.25 178.67 3ir1 h TYR 267 N 0.78 -0.39 -0.54 0.00 3.20 -0.42 -2.94 116.97 116.64 3ir1 h TYR 267 Ca 0.19 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.12 3ir1 h TYR 267 Cb 0.16 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.50 3ir1 h TYR 267 CO 0.01 -0.14 0.20 0.00 -1.64 0.00 0.00 178.16 176.59 3ir1 h ALA 268 N 0.05 0.68 -0.39 1.82 0.00 -0.03 0.33 119.26 121.73 3ir1 h ALA 268 Ca -0.04 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3ir1 h ALA 268 Cb 0.42 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3ir1 h ALA 268 CO 0.07 -0.19 0.13 0.45 0.00 0.00 0.00 179.25 179.71 3ir1 h HIS 269 N 0.39 0.23 0.00 0.00 3.86 -1.27 1.15 115.15 119.52 3ir1 h HIS 269 Ca 0.27 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 3ir1 h HIS 269 Cb 0.29 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.72 3ir1 h HIS 269 CO -0.16 0.09 -0.54 1.57 0.86 0.00 0.00 177.93 179.75 3ir1 h LYS 270 N 0.29 0.00 0.00 2.45 2.10 -1.33 -3.29 116.57 116.79 3ir1 h LYS 270 Ca 0.18 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.52 3ir1 h LYS 270 Cb 0.17 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.44 3ir1 h LYS 270 CO -0.19 0.00 -2.21 -2.13 -2.00 0.00 0.00 179.45 172.92 3ir1 n ARG 271 N -2.31 1.04 -2.83 0.07 0.00 0.09 -4.66 116.66 108.06 3ir1 n ARG 271 Ca 0.03 -0.02 -0.23 0.00 -0.00 0.00 0.00 57.85 57.63 3ir1 n ARG 271 Cb 0.46 -1.46 -0.02 0.00 0.00 0.00 0.00 32.46 31.45 3ir1 n ARG 271 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3ir1 n PHE 272 N -2.63 2.71 -1.72 -0.14 3.72 0.39 -5.03 117.46 114.75 3ir1 n PHE 272 Ca -0.28 -3.56 -0.42 0.00 -0.05 0.00 0.00 57.45 53.14 3ir1 n PHE 272 Cb 1.05 -0.35 -0.02 0.00 -0.94 0.00 0.00 39.48 39.21 3ir1 n PHE 272 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3ir1 n GLU 273 N -0.18 2.62 -0.20 -1.08 2.13 -1.24 -1.99 120.64 120.70 3ir1 n GLU 273 Ca 0.29 0.94 0.00 0.00 0.66 0.00 0.00 57.16 59.05 3ir1 n GLU 273 Cb 0.58 -2.73 0.00 0.00 0.27 0.00 0.00 31.44 29.56 3ir1 n GLU 273 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ir1 n GLY 274 N 2.84 1.04 3.84 8.31 0.00 -1.26 -5.05 105.19 114.90 3ir1 n GLY 274 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.64 3.41 -0.02 1.61 4.12 -0.84 -4.66 117.35 118.33 3ir1 s TYR 275 Ca 0.00 1.47 -0.29 0.00 0.02 0.00 0.00 57.07 58.27 3ir1 s TYR 275 Cb 0.00 -2.77 -0.03 0.00 -1.52 0.00 0.00 41.96 37.63 3ir1 s TYR 275 CO 0.00 -0.26 0.93 0.15 0.02 0.00 0.00 175.55 176.39 3ir1 s LYS 276 N -3.76 4.53 0.40 -0.62 1.02 0.45 -4.77 119.74 116.99 3ir1 s LYS 276 Ca 0.59 1.31 -0.07 0.00 0.02 0.00 0.00 55.97 57.82 3ir1 s LYS 276 Cb -0.10 -3.46 -0.05 0.00 -0.52 0.00 0.00 37.83 33.70 3ir1 s LYS 276 CO 0.25 -0.04 0.72 -1.12 -0.92 0.00 0.00 175.35 174.25 3ir1 s SER 277 N 0.98 6.42 0.29 2.83 0.01 -1.26 -0.97 113.70 121.99 3ir1 s SER 277 Ca 0.49 0.96 -0.30 0.00 1.31 0.00 0.00 55.95 58.41 3ir1 s SER 277 Cb -0.20 -2.25 -0.12 0.00 0.21 0.00 0.00 66.02 63.65 3ir1 s SER 277 CO 0.26 -0.41 1.53 -2.65 0.41 0.00 0.00 173.24 172.38 3ir1 n PRO 278 N -1.54 2.53 -0.33 12.44 -0.02 -1.26 -4.86 135.00 141.95 3ir1 n PRO 278 Ca 0.01 0.90 0.14 0.00 -2.02 0.00 0.00 63.50 62.52 3ir1 n PRO 278 Cb 0.54 -2.64 0.33 0.00 -0.02 0.00 0.00 33.50 31.71 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 4.42 1.61 -0.01 3.55 0.00 -1.95 -0.64 119.26 126.23 3ir1 h ALA 279 Ca -0.47 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3ir1 h ALA 279 Cb 1.24 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ir1 h ALA 279 CO 0.77 -0.20 0.07 0.00 0.00 0.00 0.00 179.25 179.89 3ir1 h ALA 280 N 1.68 1.13 0.00 0.00 0.00 -1.99 -1.61 119.26 118.47 3ir1 h ALA 280 Ca 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3ir1 h ALA 280 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3ir1 h ALA 280 CO -0.45 -0.08 0.00 -1.49 0.00 0.00 0.00 179.25 177.24 3ir1 h TRP 281 N 0.00 0.00 -6.22 0.00 4.06 -1.46 -3.47 115.95 108.86 3ir1 h TRP 281 Ca 0.00 0.00 -0.45 0.00 2.06 0.00 0.00 58.89 60.50 3ir1 h TRP 281 Cb 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.31 3ir1 h TRP 281 CO 0.00 0.00 -0.78 0.09 -3.56 0.00 0.00 178.44 174.19 3ir1 n ASN 282 N -2.54 -3.71 -1.21 -3.49 3.02 -0.61 -4.88 115.26 101.84 3ir1 n ASN 282 Ca 0.03 -0.78 0.12 0.00 -0.03 0.00 0.00 54.58 53.91 3ir1 n ASN 282 Cb 0.35 -3.99 0.25 0.00 -0.61 0.00 0.00 39.78 35.78 3ir1 n ASN 282 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ir1 n GLU 283 N -4.57 2.58 0.00 3.52 1.02 -1.26 -5.06 120.64 116.87 3ir1 n GLU 283 Ca -0.07 -2.42 0.00 0.00 -0.02 0.00 0.00 57.16 54.65 3ir1 n GLU 283 Cb 0.58 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 3ir1 n GLU 283 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ir1 n GLY 284 N 1.52 1.10 3.85 0.62 0.00 -1.26 -4.73 105.19 106.29 3ir1 n GLY 284 Ca 0.21 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 3ir1 n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir1 s ALA 285 N -1.95 3.15 -2.00 4.61 0.00 -1.26 -4.77 121.76 119.53 3ir1 s ALA 285 Ca 0.00 0.08 0.31 0.00 0.00 0.00 0.00 51.96 52.35 3ir1 s ALA 285 Cb 0.00 -3.00 1.86 0.00 0.00 0.00 0.00 23.12 21.98 3ir1 s ALA 285 CO 0.00 -0.17 2.19 0.00 0.00 0.00 0.00 175.76 177.78