#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 -0.22 1.64 2.12 -1.26 -0.88 118.70 123.94 3ir1 s GLU 44 Ca 0.00 -0.38 -0.06 0.00 0.36 0.00 0.00 54.97 54.89 3ir1 s GLU 44 Cb 0.00 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 3ir1 s GLU 44 CO 0.00 -0.17 0.03 0.42 -0.54 0.00 0.00 175.26 175.00 3ir1 s ILE 45 N 1.68 4.15 -0.30 -3.70 1.01 -0.26 -4.97 121.20 118.80 3ir1 s ILE 45 Ca 0.07 -0.24 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 3ir1 s ILE 45 Cb -0.16 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 3ir1 s ILE 45 CO 0.08 0.39 0.30 -0.69 0.00 0.00 0.00 174.94 175.03 3ir1 s VAL 46 N 1.24 5.22 0.08 2.92 1.01 -1.26 -1.44 120.40 128.17 3ir1 s VAL 46 Ca 0.04 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 3ir1 s VAL 46 Cb -0.15 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 3ir1 s VAL 46 CO 0.02 0.08 0.27 -0.36 0.00 0.00 0.00 175.10 175.11 3ir1 s PHE 47 N 1.92 3.51 -0.06 5.22 0.40 0.17 -1.40 117.98 127.74 3ir1 s PHE 47 Ca 0.11 0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.83 3ir1 s PHE 47 Cb -0.16 -1.87 0.02 0.00 0.51 0.00 0.00 43.02 41.52 3ir1 s PHE 47 CO 0.11 0.54 -0.06 0.20 0.70 0.00 0.00 175.22 176.71 3ir1 s GLY 48 N -2.40 0.58 0.17 4.36 0.00 -0.37 -0.42 107.32 109.24 3ir1 s GLY 48 Ca 0.36 -0.21 -0.05 0.00 0.00 0.00 0.00 44.72 44.81 3ir1 s GLY 48 CO 0.25 0.51 0.21 -0.51 0.00 0.00 0.00 173.10 173.56 3ir1 s THR 49 N 1.10 0.06 0.62 0.90 -4.23 -0.72 -0.26 115.64 113.12 3ir1 s THR 49 Ca -0.08 -1.65 -0.11 0.00 -1.18 0.00 0.00 61.69 58.67 3ir1 s THR 49 Cb -0.14 -2.05 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 3ir1 s THR 49 CO -0.01 -0.28 1.03 0.42 -0.54 0.00 0.00 174.62 175.25 3ir1 s THR 50 N -4.03 4.58 0.45 3.99 -4.23 -1.25 0.55 115.64 115.70 3ir1 s THR 50 Ca 0.23 0.87 -0.25 0.00 -1.18 0.00 0.00 61.69 61.36 3ir1 s THR 50 Cb 0.05 -3.78 -0.08 0.00 1.34 0.00 0.00 72.50 70.03 3ir1 s THR 50 CO 0.03 -1.06 1.43 -0.69 -0.54 0.00 0.00 174.62 173.79 3ir1 s VAL 51 N -3.11 2.05 0.00 2.29 1.01 -0.61 -4.13 120.40 117.91 3ir1 s VAL 51 Ca 0.56 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.59 3ir1 s VAL 51 Cb -0.11 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3ir1 s VAL 51 CO 0.52 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3ir1 n GLY 52 N 0.58 0.75 0.35 4.51 0.00 -1.26 -4.75 105.19 105.36 3ir1 n GLY 52 Ca 0.05 -1.56 -0.05 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.17 -0.18 1.61 -0.00 -1.88 -0.71 116.42 114.10 3ir1 h ASP 53 Ca 0.00 0.23 -0.01 0.00 -0.00 0.00 0.00 57.03 57.24 3ir1 h ASP 53 Cb 0.00 0.58 -0.01 0.00 -0.00 0.00 0.00 39.33 39.89 3ir1 h ASP 53 CO 0.00 -0.31 0.08 -0.26 -0.00 0.00 0.00 179.24 178.76 3ir1 h PHE 54 N -0.17 0.30 -0.46 4.15 0.04 -1.86 -1.74 116.94 117.21 3ir1 h PHE 54 Ca 0.23 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.86 3ir1 h PHE 54 Cb 0.55 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 3ir1 h PHE 54 CO -0.64 0.25 -0.24 0.78 -0.60 0.00 0.00 178.31 177.87 3ir1 h GLY 55 N 0.46 1.06 1.09 -1.45 0.00 -1.33 -3.00 103.07 99.89 3ir1 h GLY 55 Ca 0.08 -0.96 -0.04 0.00 0.00 0.00 0.00 47.33 46.41 3ir1 h GLY 55 CO -0.01 0.87 0.33 -0.55 0.00 0.00 0.00 176.54 177.18 3ir1 h ASP 56 N 0.82 1.07 -0.65 0.19 3.32 -0.43 -1.64 116.42 119.10 3ir1 h ASP 56 Ca 0.10 -0.16 0.07 0.00 0.02 0.00 0.00 57.03 57.06 3ir1 h ASP 56 Cb 0.82 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.04 3ir1 h ASP 56 CO 0.07 0.93 0.34 0.24 -1.72 0.00 0.00 179.24 179.10 3ir1 h MET 57 N 1.13 0.60 0.21 3.56 2.86 -1.23 0.23 114.93 122.28 3ir1 h MET 57 Ca 0.26 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 3ir1 h MET 57 Cb 0.19 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3ir1 h MET 57 CO -0.02 0.39 -0.10 0.28 1.06 0.00 0.00 176.91 178.52 3ir1 h VAL 58 N 0.61 0.87 -0.07 -2.22 2.07 -1.31 -1.46 116.25 114.74 3ir1 h VAL 58 Ca 0.30 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3ir1 h VAL 58 Cb 0.25 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3ir1 h VAL 58 CO -0.21 0.11 0.03 0.11 0.02 0.00 0.00 177.57 177.62 3ir1 h LYS 59 N -0.53 0.11 0.00 1.57 1.57 -1.05 0.18 116.57 118.42 3ir1 h LYS 59 Ca -0.03 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 3ir1 h LYS 59 Cb 0.40 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3ir1 h LYS 59 CO 0.05 0.24 -0.59 0.93 -0.57 0.00 0.00 179.45 179.51 3ir1 h GLU 60 N -0.05 0.00 0.00 3.15 5.08 -0.64 -3.41 114.58 118.71 3ir1 h GLU 60 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3ir1 h GLU 60 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3ir1 h GLU 60 CO -0.00 0.59 -0.38 0.94 -1.00 0.00 0.00 179.01 179.16 3ir1 n GLN 61 N -3.30 0.00 -0.12 2.33 -0.06 -0.63 -4.81 117.38 110.79 3ir1 n GLN 61 Ca 0.01 0.00 -0.11 0.00 -2.00 0.00 0.00 57.00 54.90 3ir1 n GLN 61 Cb 0.74 -0.33 -0.03 0.00 -4.06 0.00 0.00 30.24 26.57 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 1.26 0.34 1.69 1.08 -1.28 -2.63 117.51 117.98 3ir1 h ILE 62 Ca 0.00 -1.01 -0.00 0.00 -0.39 0.00 0.00 64.86 63.46 3ir1 h ILE 62 Cb 0.38 1.25 -0.03 0.00 -3.07 0.00 0.00 36.82 35.35 3ir1 h ILE 62 CO 0.00 0.33 -0.41 -0.61 -0.69 0.00 0.00 178.15 176.77 3ir1 h GLN 63 N 0.41 -0.77 -0.97 2.37 4.15 -0.86 0.07 115.11 119.51 3ir1 h GLN 63 Ca 0.09 0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.61 3ir1 h GLN 63 Cb 0.48 0.17 -0.06 0.00 0.21 0.00 0.00 27.48 28.29 3ir1 h GLN 63 CO 0.02 -0.51 0.63 -1.00 -1.93 0.00 0.00 178.83 176.04 3ir1 h PRO 64 N -0.80 1.16 -0.69 -2.39 0.13 -1.80 0.11 132.00 127.72 3ir1 h PRO 64 Ca -0.02 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 3ir1 h PRO 64 Cb 0.73 -0.26 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 3ir1 h PRO 64 CO -0.11 0.76 0.39 0.93 -0.23 0.00 0.00 178.00 179.75 3ir1 h GLU 65 N 1.19 0.95 -0.08 0.86 5.08 -1.09 -2.70 114.58 118.80 3ir1 h GLU 65 Ca 0.40 -0.10 -0.17 0.00 -1.00 0.00 0.00 59.36 58.49 3ir1 h GLU 65 Cb 0.06 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3ir1 h GLU 65 CO -0.13 0.70 -0.67 -0.07 -1.00 0.00 0.00 179.01 177.83 3ir1 h LEU 66 N 0.94 0.39 -2.37 1.33 3.38 -0.45 -3.20 115.31 115.34 3ir1 h LEU 66 Ca 0.24 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3ir1 h LEU 66 Cb 0.01 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3ir1 h LEU 66 CO -0.04 0.95 -0.03 -0.33 0.09 0.00 0.00 178.44 179.08 3ir1 h GLU 67 N 0.24 0.00 0.00 1.13 5.08 -0.46 0.47 114.58 121.04 3ir1 h GLU 67 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3ir1 h GLU 67 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3ir1 h GLU 67 CO 0.11 0.03 0.00 1.63 -1.00 0.00 0.00 179.01 179.78 3ir1 n LYS 68 N -3.79 0.98 -0.08 2.33 5.02 -1.16 -1.67 118.16 119.79 3ir1 n LYS 68 Ca -0.03 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.29 3ir1 n LYS 68 Cb 0.11 -1.25 0.07 0.00 -0.02 0.00 0.00 35.03 33.95 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 -0.75 2.72 -0.75 1.97 5.02 0.14 -4.96 118.16 121.56 3ir1 n LYS 69 Ca 0.12 -1.86 0.00 0.00 -2.02 0.00 0.00 58.31 54.54 3ir1 n LYS 69 Cb 0.05 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 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 -0.40 0.66 3.89 0.72 0.00 -0.67 -5.05 105.19 104.33 3ir1 n GLY 70 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.20 3.47 -0.08 1.61 2.02 -1.13 -4.91 117.35 116.12 3ir1 s TYR 71 Ca 0.00 0.85 0.04 0.00 -0.37 0.00 0.00 57.07 57.59 3ir1 s TYR 71 Cb 0.00 -2.28 -0.01 0.00 -0.40 0.00 0.00 41.96 39.27 3ir1 s TYR 71 CO 0.00 0.05 -0.21 0.95 -1.57 0.00 0.00 175.55 174.77 3ir1 s THR 72 N -2.19 2.39 -0.04 -0.71 -4.23 -0.06 -3.96 115.64 106.84 3ir1 s THR 72 Ca 0.48 -0.93 0.01 0.00 -1.18 0.00 0.00 61.69 60.07 3ir1 s THR 72 Cb -0.11 -1.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 3ir1 s THR 72 CO 0.29 0.56 -0.04 -0.69 -0.54 0.00 0.00 174.62 174.20 3ir1 s VAL 73 N -0.02 3.87 -0.01 2.29 1.01 -1.26 -1.10 120.40 125.17 3ir1 s VAL 73 Ca -0.06 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.42 3ir1 s VAL 73 Cb -0.15 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 3ir1 s VAL 73 CO 0.05 0.50 -0.18 -0.75 0.00 0.00 0.00 175.10 174.72 3ir1 s LYS 74 N -1.14 1.40 -0.08 2.72 2.20 -0.52 -4.95 119.74 119.37 3ir1 s LYS 74 Ca 0.15 -0.64 0.02 0.00 -0.36 0.00 0.00 55.97 55.14 3ir1 s LYS 74 Cb -0.11 -1.36 0.02 0.00 -1.51 0.00 0.00 37.83 34.86 3ir1 s LYS 74 CO 0.05 0.37 -0.12 -1.17 -0.36 0.00 0.00 175.35 174.12 3ir1 s LEU 75 N -0.47 1.58 -0.16 5.43 2.96 -1.26 0.46 118.68 127.22 3ir1 s LEU 75 Ca 0.07 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3ir1 s LEU 75 Cb -0.07 -0.89 0.01 0.00 0.50 0.00 0.00 46.19 45.73 3ir1 s LEU 75 CO -0.01 0.00 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.16 3ir1 s VAL 76 N 0.93 2.36 0.18 1.68 1.01 0.44 -4.96 120.40 122.04 3ir1 s VAL 76 Ca -0.09 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.05 3ir1 s VAL 76 Cb -0.15 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 3ir1 s VAL 76 CO 0.00 0.53 0.30 -1.61 0.00 0.00 0.00 175.10 174.32 3ir1 s GLU 77 N 0.95 3.43 0.04 2.72 2.02 -1.26 -1.76 118.70 124.85 3ir1 s GLU 77 Ca -0.03 -0.65 0.05 0.00 0.02 0.00 0.00 54.97 54.35 3ir1 s GLU 77 Cb -0.15 -2.94 -0.02 0.00 0.10 0.00 0.00 34.13 31.12 3ir1 s GLU 77 CO -0.04 0.49 -0.14 -0.06 0.02 0.00 0.00 175.26 175.54 3ir1 s PHE 78 N -1.81 1.18 -0.15 1.61 0.08 0.19 -4.89 117.98 114.18 3ir1 s PHE 78 Ca 0.34 -0.37 0.16 0.00 0.12 0.00 0.00 56.93 57.18 3ir1 s PHE 78 Cb -0.10 -0.69 -0.02 0.00 -0.57 0.00 0.00 43.02 41.64 3ir1 s PHE 78 CO 0.29 0.03 1.19 1.79 -0.10 0.00 0.00 175.22 178.42 3ir1 h THR 79 N 4.48 0.69 -4.48 0.64 1.35 -1.96 -1.62 112.91 112.01 3ir1 h THR 79 Ca -0.38 -2.08 -0.20 0.00 -0.55 0.00 0.00 66.41 63.20 3ir1 h THR 79 Cb 1.18 2.23 -0.03 0.00 -1.73 0.00 0.00 68.15 69.81 3ir1 h THR 79 CO 0.43 0.39 -0.12 -0.90 -0.25 0.00 0.00 175.52 175.07 3ir1 n ASP 80 N -3.07 2.01 -0.14 5.36 5.75 -1.26 -4.86 116.55 120.34 3ir1 n ASP 80 Ca -0.03 -1.68 0.06 0.00 -0.01 0.00 0.00 54.79 53.14 3ir1 n ASP 80 Cb 0.77 0.05 -0.04 0.00 -1.03 0.00 0.00 41.12 40.87 3ir1 n ASP 80 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3ir1 n TYR 81 N -0.68 0.00 -0.09 2.11 4.01 -1.26 -4.67 117.16 116.58 3ir1 n TYR 81 Ca -0.04 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.54 3ir1 n TYR 81 Cb 0.21 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.68 0.66 -0.74 -0.72 2.07 -2.02 -3.42 116.25 112.76 3ir1 h VAL 82 Ca 0.00 -1.84 0.09 0.00 0.82 0.00 0.00 66.70 65.78 3ir1 h VAL 82 Cb 0.38 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 3ir1 h VAL 82 CO 0.00 0.22 0.39 -0.09 0.02 0.00 0.00 177.57 178.11 3ir1 h ARG 83 N -1.00 0.64 -0.60 1.57 9.65 -2.01 -3.29 114.38 119.33 3ir1 h ARG 83 Ca -0.24 -0.04 0.10 0.00 -1.10 0.00 0.00 59.98 58.70 3ir1 h ARG 83 Cb 1.06 -0.14 -0.11 0.00 -1.39 0.00 0.00 29.97 29.38 3ir1 h ARG 83 CO -0.15 0.42 -0.35 -1.35 2.80 0.00 0.00 179.97 181.35 3ir1 h PRO 84 N 0.65 -0.16 -0.02 0.20 0.11 -1.83 0.12 132.00 131.07 3ir1 h PRO 84 Ca 0.36 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.40 3ir1 h PRO 84 Cb 0.36 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 3ir1 h PRO 84 CO -0.26 -0.11 -0.37 -0.91 -0.21 0.00 0.00 178.00 176.14 3ir1 h ASN 85 N -0.16 0.05 -0.33 -2.05 2.35 -1.84 -1.87 115.58 111.72 3ir1 h ASN 85 Ca 0.23 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.81 3ir1 h ASN 85 Cb 0.55 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 3ir1 h ASN 85 CO -0.69 0.42 -0.41 -0.07 -1.65 0.00 0.00 177.43 175.02 3ir1 h LEU 86 N 0.04 0.93 -1.04 1.61 3.38 -1.31 -0.80 115.31 118.13 3ir1 h LEU 86 Ca 0.00 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 3ir1 h LEU 86 Cb 0.68 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3ir1 h LEU 86 CO 0.05 1.24 0.06 0.00 0.09 0.00 0.00 178.44 179.87 3ir1 h ALA 87 N 0.72 1.21 0.65 1.53 0.00 -0.62 -1.35 119.26 121.40 3ir1 h ALA 87 Ca 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3ir1 h ALA 87 Cb 1.01 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.61 3ir1 h ALA 87 CO 0.10 0.53 -0.31 1.25 0.00 0.00 0.00 179.25 180.82 3ir1 h LEU 88 N 0.71 -0.73 -2.24 0.00 6.46 -1.13 -0.39 115.31 117.99 3ir1 h LEU 88 Ca 0.15 -0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.94 3ir1 h LEU 88 Cb 0.35 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 3ir1 h LEU 88 CO 0.01 -0.37 0.15 0.00 -0.62 0.00 0.00 178.44 177.61 3ir1 h ALA 89 N -1.02 1.82 0.00 1.25 0.00 -1.10 -0.49 119.26 119.72 3ir1 h ALA 89 Ca -0.09 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3ir1 h ALA 89 Cb 0.70 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3ir1 h ALA 89 CO 0.15 -0.23 -0.46 1.49 0.00 0.00 0.00 179.25 180.20 3ir1 h GLU 90 N 0.00 0.00 0.00 0.00 4.81 -1.16 -3.47 114.58 114.76 3ir1 h GLU 90 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3ir1 h GLU 90 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3ir1 h GLU 90 CO -0.00 0.46 0.00 0.41 -0.73 0.00 0.00 179.01 179.14 3ir1 n GLY 91 N 0.61 0.68 0.13 1.92 0.00 -0.19 -4.95 105.19 103.39 3ir1 n GLY 91 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 4.28 0.16 -6.54 1.61 4.81 -1.27 -3.45 114.58 114.17 3ir1 h GLU 92 Ca 0.00 -0.15 -0.65 0.00 -0.13 0.00 0.00 59.36 58.43 3ir1 h GLU 92 Cb 0.00 0.04 -0.18 0.00 0.63 0.00 0.00 28.75 29.24 3ir1 h GLU 92 CO 0.00 0.85 -0.81 -0.51 -0.73 0.00 0.00 179.01 177.82 3ir1 s LEU 93 N -7.54 2.51 -0.15 1.64 1.43 -1.09 -4.93 118.68 110.55 3ir1 s LEU 93 Ca -0.03 -0.86 0.18 0.00 -1.03 0.00 0.00 54.13 52.39 3ir1 s LEU 93 Cb 0.11 -1.20 -0.26 0.00 0.03 0.00 0.00 46.19 44.87 3ir1 s LEU 93 CO 0.81 0.11 0.22 0.47 0.23 0.00 0.00 176.35 178.19 3ir1 n ASP 94 N 0.12 0.11 -3.62 2.29 8.00 -0.50 -4.65 116.55 118.31 3ir1 n ASP 94 Ca -0.11 0.05 -0.15 0.00 0.71 0.00 0.00 54.79 55.29 3ir1 n ASP 94 Cb 0.56 1.03 -0.07 0.00 -0.02 0.00 0.00 41.12 42.63 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 -2.68 0.00 0.16 0.53 2.07 -1.09 -4.38 121.20 115.81 3ir1 s ILE 95 Ca -0.09 -0.01 0.09 0.00 -1.41 0.00 0.00 60.65 59.22 3ir1 s ILE 95 Cb 0.08 -0.95 -0.04 0.00 0.13 0.00 0.00 42.46 41.68 3ir1 s ILE 95 CO 0.84 -0.01 -0.18 0.54 -1.91 0.00 0.00 174.94 174.22 3ir1 s ASN 96 N -0.07 2.70 -0.25 4.50 2.20 -0.42 -1.24 114.94 122.36 3ir1 s ASN 96 Ca -0.03 -0.86 -0.03 0.00 -0.94 0.00 0.00 52.86 51.00 3ir1 s ASN 96 Cb -0.04 -0.16 0.08 0.00 -2.00 0.00 0.00 41.25 39.14 3ir1 s ASN 96 CO 0.03 -0.03 0.10 -0.69 -2.94 0.00 0.00 177.10 173.57 3ir1 s VAL 97 N -2.01 0.20 0.00 3.54 1.01 0.64 -0.75 120.40 123.03 3ir1 s VAL 97 Ca 0.16 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.44 3ir1 s VAL 97 Cb -0.06 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.31 3ir1 s VAL 97 CO 0.07 -0.52 0.00 2.22 0.00 0.00 0.00 175.10 176.87 3ir1 n PHE 98 N 5.15 0.00 -4.30 5.22 1.16 -1.26 -3.93 117.46 119.49 3ir1 n PHE 98 Ca -0.06 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.36 3ir1 n PHE 98 Cb 0.45 0.01 -0.10 0.00 -1.61 0.00 0.00 39.48 38.23 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 1.25 0.32 3.97 -2.07 -1.26 -4.94 119.66 116.94 3ir1 s GLN 99 Ca 0.00 -1.61 0.06 0.00 -1.82 0.00 0.00 55.36 51.99 3ir1 s GLN 99 Cb 0.00 -0.60 -0.01 0.00 -1.09 0.00 0.00 33.01 31.30 3ir1 s GLN 99 CO 0.00 -0.05 0.43 -3.38 -1.32 0.00 0.00 175.29 170.97 3ir1 s HIS 100 N -3.40 3.16 0.19 9.60 -3.43 -1.26 -0.34 115.29 119.79 3ir1 s HIS 100 Ca 0.25 -0.19 -0.12 0.00 -0.80 0.00 0.00 55.06 54.20 3ir1 s HIS 100 Cb 0.05 -1.90 0.17 0.00 -1.43 0.00 0.00 32.58 29.47 3ir1 s HIS 100 CO 0.06 0.09 1.77 -0.22 -2.00 0.00 0.00 174.74 174.44 3ir1 h LYS 101 N 0.97 0.43 -1.00 -0.38 3.64 -1.82 -1.70 116.57 116.71 3ir1 h LYS 101 Ca -0.47 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 58.94 3ir1 h LYS 101 Cb 1.25 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 3ir1 h LYS 101 CO 0.55 0.28 0.65 -1.35 -2.27 0.00 0.00 179.45 177.31 3ir1 h PRO 102 N 0.44 1.19 -0.27 1.90 0.11 -1.96 0.76 132.00 134.16 3ir1 h PRO 102 Ca 0.24 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 3ir1 h PRO 102 Cb 0.21 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 3ir1 h PRO 102 CO -0.21 0.79 0.04 -0.92 -0.21 0.00 0.00 178.00 177.49 3ir1 h TYR 103 N 1.22 0.48 0.12 0.65 5.03 -1.84 -1.59 116.97 121.05 3ir1 h TYR 103 Ca 0.41 -0.07 0.02 0.00 2.58 0.00 0.00 58.73 61.67 3ir1 h TYR 103 Cb 0.07 -0.13 -0.04 0.00 1.55 0.00 0.00 36.73 38.18 3ir1 h TYR 103 CO -0.00 0.56 -0.38 1.25 -1.32 0.00 0.00 178.16 178.27 3ir1 h LEU 104 N 0.27 -1.11 -0.76 2.82 6.46 -0.54 0.10 115.31 122.54 3ir1 h LEU 104 Ca 0.08 0.13 0.06 0.00 -0.12 0.00 0.00 57.88 58.03 3ir1 h LEU 104 Cb 0.34 0.42 -0.06 0.00 -0.73 0.00 0.00 40.66 40.63 3ir1 h LEU 104 CO 0.01 -0.46 0.45 0.44 -0.62 0.00 0.00 178.44 178.26 3ir1 h ASP 105 N -0.61 0.68 0.22 1.25 3.32 -0.84 0.22 116.42 120.66 3ir1 h ASP 105 Ca 0.03 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3ir1 h ASP 105 Cb 0.64 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3ir1 h ASP 105 CO -0.23 0.43 -0.11 0.44 -1.72 0.00 0.00 179.24 178.06 3ir1 h ASP 106 N 0.81 -0.26 -0.32 6.45 5.19 -0.69 -2.35 116.42 125.26 3ir1 h ASP 106 Ca 0.34 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.74 3ir1 h ASP 106 Cb 0.20 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 3ir1 h ASP 106 CO -0.19 -0.16 0.20 0.15 -3.12 0.00 0.00 179.24 176.13 3ir1 h PHE 107 N -0.33 0.42 -0.44 4.55 3.04 -0.31 -1.30 116.94 122.58 3ir1 h PHE 107 Ca -0.03 0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.01 3ir1 h PHE 107 Cb 0.25 -0.14 -0.08 0.00 2.56 0.00 0.00 35.95 38.54 3ir1 h PHE 107 CO -0.05 0.30 -0.06 0.87 -2.02 0.00 0.00 178.31 177.34 3ir1 h LYS 108 N 0.42 0.04 0.25 1.11 1.57 -0.55 -0.47 116.57 118.96 3ir1 h LYS 108 Ca 0.12 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3ir1 h LYS 108 Cb -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3ir1 h LYS 108 CO -0.02 0.03 -0.12 -0.22 -0.57 0.00 0.00 179.45 178.54 3ir1 h LYS 109 N 0.05 -0.33 -0.12 3.15 3.64 -1.20 0.09 116.57 121.85 3ir1 h LYS 109 Ca 0.21 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.57 3ir1 h LYS 109 Cb 0.32 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3ir1 h LYS 109 CO -0.41 -0.06 -0.14 1.49 -2.27 0.00 0.00 179.45 178.06 3ir1 h GLU 110 N -0.57 0.18 -0.44 1.90 4.81 -1.05 -2.92 114.58 116.48 3ir1 h GLU 110 Ca -0.03 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3ir1 h GLU 110 Cb 0.42 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3ir1 h GLU 110 CO 0.06 0.33 0.00 0.72 -0.73 0.00 0.00 179.01 179.38 3ir1 n HIS 111 N -4.29 0.58 -3.68 0.92 8.25 -0.20 -5.01 115.22 111.79 3ir1 n HIS 111 Ca -0.01 -0.37 -0.23 0.00 -0.26 0.00 0.00 57.72 56.85 3ir1 n HIS 111 Cb 0.26 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.37 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 1.16 -5.36 -4.34 0.41 3.02 -0.06 -4.98 115.26 105.12 3ir1 n ASN 112 Ca 0.17 -0.84 -0.32 0.00 -0.03 0.00 0.00 54.58 53.56 3ir1 n ASN 112 Cb 0.53 -2.50 -0.15 0.00 -0.61 0.00 0.00 39.78 37.04 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 -5.19 2.22 -1.25 3.41 1.43 -0.74 -5.05 118.68 113.51 3ir1 s LEU 113 Ca 0.10 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 3ir1 s LEU 113 Cb -0.04 -1.40 0.17 0.00 0.03 0.00 0.00 46.19 44.95 3ir1 s LEU 113 CO 0.87 0.30 1.71 0.47 0.23 0.00 0.00 176.35 179.93 3ir1 n ASP 114 N 2.58 5.17 -4.29 2.29 8.00 -1.26 -4.85 116.55 124.19 3ir1 n ASP 114 Ca -0.17 -3.07 -0.16 0.00 0.71 0.00 0.00 54.79 52.11 3ir1 n ASP 114 Cb 0.52 -1.51 -0.10 0.00 -0.02 0.00 0.00 41.12 40.01 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 0.71 1.09 0.07 0.53 -4.36 -1.26 -1.71 121.20 116.27 3ir1 s ILE 115 Ca 0.40 -2.05 -0.20 0.00 -0.26 0.00 0.00 60.65 58.54 3ir1 s ILE 115 Cb 0.05 -2.10 0.05 0.00 1.25 0.00 0.00 42.46 41.71 3ir1 s ILE 115 CO 0.01 -0.53 0.48 0.28 0.24 0.00 0.00 174.94 175.42 3ir1 s THR 116 N -3.38 0.04 0.64 8.37 -1.32 -0.50 -4.78 115.64 114.71 3ir1 s THR 116 Ca 0.23 -0.32 -0.14 0.00 -1.21 0.00 0.00 61.69 60.24 3ir1 s THR 116 Cb 0.04 -1.01 -0.02 0.00 -1.51 0.00 0.00 72.50 70.01 3ir1 s THR 116 CO 0.05 -0.18 1.06 -1.83 -2.21 0.00 0.00 174.62 171.51 3ir1 s GLU 117 N -2.81 3.10 0.10 7.08 1.03 -1.26 -2.01 118.70 123.92 3ir1 s GLU 117 Ca -0.03 1.15 0.00 0.00 0.03 0.00 0.00 54.97 56.12 3ir1 s GLU 117 Cb -0.00 -2.00 0.00 0.00 -0.80 0.00 0.00 34.13 31.32 3ir1 s GLU 117 CO -0.05 -0.98 0.00 0.28 -1.33 0.00 0.00 175.26 173.18 3ir1 n VAL 118 N -2.45 0.50 -4.07 1.83 0.31 -0.41 -4.90 118.33 109.14 3ir1 n VAL 118 Ca 0.09 0.17 -0.07 0.00 -0.01 0.00 0.00 64.34 64.51 3ir1 n VAL 118 Cb 0.53 -1.02 -0.10 0.00 -0.91 0.00 0.00 33.84 32.35 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 -1.59 0.48 0.45 3.52 -0.12 -1.26 -4.96 117.98 114.50 3ir1 s PHE 119 Ca 0.00 -1.02 -0.03 0.00 -0.05 0.00 0.00 56.93 55.84 3ir1 s PHE 119 Cb 0.00 -0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 42.01 3ir1 s PHE 119 CO 0.00 -0.39 0.71 -0.65 -0.05 0.00 0.00 175.22 174.84 3ir1 s GLN 120 N -3.86 3.34 0.05 1.99 -0.21 -1.26 -0.38 119.66 119.33 3ir1 s GLN 120 Ca 0.06 -0.12 0.00 0.00 0.02 0.00 0.00 55.36 55.33 3ir1 s GLN 120 Cb 0.07 -2.48 -0.03 0.00 1.00 0.00 0.00 33.01 31.57 3ir1 s GLN 120 CO -0.10 -0.19 -0.05 0.14 -2.12 0.00 0.00 175.29 172.98 3ir1 s VAL 121 N -2.62 0.35 0.17 1.09 -7.23 -0.64 -4.82 120.40 106.71 3ir1 s VAL 121 Ca 0.46 -1.45 -0.34 0.00 -1.81 0.00 0.00 61.98 58.85 3ir1 s VAL 121 Cb -0.10 -1.04 -0.15 0.00 0.56 0.00 0.00 36.38 35.65 3ir1 s VAL 121 CO 0.41 -0.72 1.39 -2.65 -0.31 0.00 0.00 175.10 173.22 3ir1 n PRO 122 N 0.74 1.68 -4.74 4.82 -0.02 -1.26 -4.25 135.00 131.97 3ir1 n PRO 122 Ca -0.18 0.60 -0.24 0.00 -2.02 0.00 0.00 63.50 61.66 3ir1 n PRO 122 Cb 0.58 -2.26 -0.16 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.33 1.27 -0.10 3.45 2.01 0.11 -4.89 115.64 117.81 3ir1 s THR 123 Ca 0.76 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 3ir1 s THR 123 Cb -0.77 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 3ir1 s THR 123 CO 0.46 0.37 1.41 0.00 -0.69 0.00 0.00 174.62 176.17 3ir1 s ALA 124 N -0.10 3.63 0.60 7.40 0.00 -1.26 -0.30 121.76 131.74 3ir1 s ALA 124 Ca 0.00 0.68 -0.18 0.00 0.00 0.00 0.00 51.96 52.46 3ir1 s ALA 124 Cb -0.09 -3.66 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 3ir1 s ALA 124 CO 0.01 -1.20 1.21 -1.25 0.00 0.00 0.00 175.76 174.52 3ir1 s PRO 125 N 3.51 2.91 0.29 0.00 0.04 -1.26 -3.78 135.00 136.70 3ir1 s PRO 125 Ca 0.62 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 63.19 3ir1 s PRO 125 Cb -0.27 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 3ir1 s PRO 125 CO 0.21 -1.26 1.12 -1.17 0.04 0.00 0.00 177.00 175.95 3ir1 s LEU 126 N -4.16 4.52 0.10 -3.56 2.96 -1.26 -3.78 118.68 113.50 3ir1 s LEU 126 Ca 0.77 2.30 -0.06 0.00 -0.22 0.00 0.00 54.13 56.93 3ir1 s LEU 126 Cb -0.30 -3.65 -0.02 0.00 0.50 0.00 0.00 46.19 42.72 3ir1 s LEU 126 CO 0.34 -0.20 0.14 -0.83 -1.32 0.00 0.00 176.35 174.48 3ir1 s GLY 127 N -0.87 0.41 -0.26 7.98 0.00 -1.15 -1.13 107.32 112.30 3ir1 s GLY 127 Ca 0.45 -0.95 -0.08 0.00 0.00 0.00 0.00 44.72 44.14 3ir1 s GLY 127 CO 0.42 -1.02 0.10 -2.27 0.00 0.00 0.00 173.10 170.33 3ir1 s LEU 128 N -2.93 3.62 0.24 0.66 2.96 -0.15 -1.52 118.68 121.56 3ir1 s LEU 128 Ca 0.11 -0.22 0.08 0.00 -0.22 0.00 0.00 54.13 53.89 3ir1 s LEU 128 Cb 0.06 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 3ir1 s LEU 128 CO -0.06 -0.06 0.05 -0.31 -1.32 0.00 0.00 176.35 174.65 3ir1 s TYR 129 N 1.64 2.85 0.39 5.38 2.02 0.18 -0.40 117.35 129.41 3ir1 s TYR 129 Ca 0.06 -0.17 -0.27 0.00 -0.37 0.00 0.00 57.07 56.32 3ir1 s TYR 129 Cb -0.15 -1.30 -0.10 0.00 -0.40 0.00 0.00 41.96 40.01 3ir1 s TYR 129 CO 0.05 0.57 1.38 -2.14 -1.57 0.00 0.00 175.55 173.84 3ir1 s PRO 130 N -3.53 4.06 0.00 -1.71 0.02 -1.26 -1.44 135.00 131.14 3ir1 s PRO 130 Ca 0.31 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.66 3ir1 s PRO 130 Cb -0.08 -2.88 0.00 0.00 0.02 0.00 0.00 34.50 31.56 3ir1 s PRO 130 CO 0.21 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 3ir1 n GLY 131 N 0.63 1.72 0.20 0.52 0.00 -0.15 -4.63 105.19 103.48 3ir1 n GLY 131 Ca 0.02 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 -5.72 1.61 1.57 0.03 -3.42 116.57 110.65 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 -0.08 0.00 0.08 0.00 0.00 32.23 32.23 3ir1 h LYS 132 CO 0.00 0.28 -0.51 -0.51 -0.57 0.00 0.00 179.45 178.15 3ir1 s LEU 133 N -6.77 4.24 0.10 2.94 1.43 -0.72 -5.00 118.68 114.90 3ir1 s LEU 133 Ca 0.01 0.40 0.23 0.00 -1.03 0.00 0.00 54.13 53.74 3ir1 s LEU 133 Cb 0.10 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 3ir1 s LEU 133 CO 0.66 0.39 0.93 0.29 0.23 0.00 0.00 176.35 178.85 3ir1 n LYS 134 N 1.93 0.50 -3.87 1.70 4.01 -1.26 -4.56 118.16 116.61 3ir1 n LYS 134 Ca -0.19 0.01 -0.10 0.00 -0.51 0.00 0.00 58.31 57.52 3ir1 n LYS 134 Cb 0.55 -1.68 -0.08 0.00 -0.51 0.00 0.00 35.03 33.30 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 -4.65 0.09 0.33 4.39 0.15 -1.26 -4.82 113.70 107.94 3ir1 s SER 135 Ca -0.00 -0.47 0.02 0.00 0.70 0.00 0.00 55.95 56.19 3ir1 s SER 135 Cb 0.12 0.28 0.59 0.00 -1.71 0.00 0.00 66.02 65.30 3ir1 s SER 135 CO 0.82 -0.58 1.98 -0.07 1.20 0.00 0.00 173.24 176.58 3ir1 h LEU 136 N 3.37 0.80 -0.94 3.45 3.38 -1.94 -0.59 115.31 122.85 3ir1 h LEU 136 Ca -0.33 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3ir1 h LEU 136 Cb 1.19 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3ir1 h LEU 136 CO 0.51 0.56 0.00 1.21 0.09 0.00 0.00 178.44 180.81 3ir1 n GLU 137 N -4.44 0.13 0.00 1.13 2.13 -1.26 -2.12 120.64 116.20 3ir1 n GLU 137 Ca 0.09 0.53 0.14 0.00 0.66 0.00 0.00 57.16 58.58 3ir1 n GLU 137 Cb 0.09 -1.84 0.55 0.00 0.27 0.00 0.00 31.44 30.52 3ir1 n GLU 137 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3ir1 n GLU 138 N -2.10 1.48 -1.69 5.31 1.02 -0.23 -4.95 120.64 119.48 3ir1 n GLU 138 Ca 0.00 -0.79 -0.40 0.00 -0.02 0.00 0.00 57.16 55.95 3ir1 n GLU 138 Cb 0.09 -1.48 0.03 0.00 -0.02 0.00 0.00 31.44 30.06 3ir1 n GLU 138 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ir1 n VAL 139 N -0.07 3.15 -4.34 2.62 0.31 -0.90 -5.01 118.33 114.09 3ir1 n VAL 139 Ca 0.19 -0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 63.83 3ir1 n VAL 139 Cb 0.33 -1.51 -0.10 0.00 -0.91 0.00 0.00 33.84 31.65 3ir1 n VAL 139 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3ir1 s LYS 140 N -2.51 1.32 0.21 5.55 -0.14 -1.26 -5.05 119.74 117.86 3ir1 s LYS 140 Ca 0.67 -1.59 -0.30 0.00 -1.36 0.00 0.00 55.97 53.39 3ir1 s LYS 140 Cb -0.47 -1.06 -0.10 0.00 -1.68 0.00 0.00 37.83 34.53 3ir1 s LYS 140 CO 0.53 0.16 1.43 -0.51 -0.76 0.00 0.00 175.35 176.19 3ir1 s ASP 141 N -3.31 6.71 0.00 2.83 1.01 -1.26 -1.49 116.67 121.17 3ir1 s ASP 141 Ca 0.22 2.57 0.00 0.00 0.71 0.00 0.00 52.55 56.06 3ir1 s ASP 141 Cb 0.00 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.32 3ir1 s ASP 141 CO 0.07 -0.68 0.00 0.61 0.21 0.00 0.00 175.17 175.38 3ir1 n GLY 142 N 2.57 0.74 3.75 0.21 0.00 0.52 -4.96 105.19 108.03 3ir1 n GLY 142 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3ir1 n GLY 142 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ir1 s SER 143 N -2.64 5.43 -0.02 1.61 0.01 -0.55 -4.47 113.70 113.06 3ir1 s SER 143 Ca 0.00 2.71 -0.09 0.00 1.31 0.00 0.00 55.95 59.88 3ir1 s SER 143 Cb 0.00 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 3ir1 s SER 143 CO 0.00 -1.46 0.28 0.42 0.41 0.00 0.00 173.24 172.89 3ir1 s THR 144 N -1.33 5.27 -0.06 1.44 -4.23 -1.26 -1.05 115.64 114.43 3ir1 s THR 144 Ca 0.70 0.37 -0.01 0.00 -1.18 0.00 0.00 61.69 61.56 3ir1 s THR 144 Cb -0.39 -3.56 0.03 0.00 1.34 0.00 0.00 72.50 69.91 3ir1 s THR 144 CO 0.47 0.48 0.01 -0.69 -0.54 0.00 0.00 174.62 174.34 3ir1 s VAL 145 N -1.18 0.31 0.29 2.29 1.01 -0.22 -2.15 120.40 120.75 3ir1 s VAL 145 Ca 0.24 0.15 -0.25 0.00 0.00 0.00 0.00 61.98 62.11 3ir1 s VAL 145 Cb -0.14 -0.47 -0.09 0.00 0.00 0.00 0.00 36.38 35.68 3ir1 s VAL 145 CO 0.12 0.24 0.90 -0.94 0.00 0.00 0.00 175.10 175.42 3ir1 s SER 146 N 1.89 7.33 0.07 3.32 1.04 -0.54 -0.85 113.70 125.95 3ir1 s SER 146 Ca 0.03 1.77 -0.06 0.00 0.48 0.00 0.00 55.95 58.17 3ir1 s SER 146 Cb -0.12 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.43 3ir1 s SER 146 CO -0.04 -0.01 0.12 0.00 0.98 0.00 0.00 173.24 174.28 3ir1 s ALA 147 N -1.53 0.00 0.50 5.32 0.00 0.15 -2.13 121.76 124.07 3ir1 s ALA 147 Ca 0.47 -0.77 -0.21 0.00 0.00 0.00 0.00 51.96 51.45 3ir1 s ALA 147 Cb -0.19 0.39 -0.07 0.00 0.00 0.00 0.00 23.12 23.25 3ir1 s ALA 147 CO 0.24 -0.44 1.11 -1.25 0.00 0.00 0.00 175.76 175.42 3ir1 s PRO 148 N -3.71 3.61 0.00 0.00 0.04 -1.26 -1.50 135.00 132.18 3ir1 s PRO 148 Ca 0.04 1.58 0.12 0.00 0.04 0.00 0.00 61.00 62.79 3ir1 s PRO 148 Cb 0.05 -2.15 0.38 0.00 0.04 0.00 0.00 34.50 32.82 3ir1 s PRO 148 CO -0.10 -0.63 1.30 0.27 0.04 0.00 0.00 177.00 177.88 3ir1 n ASN 149 N -0.95 1.80 -4.90 6.66 0.23 -0.18 -4.29 115.26 113.64 3ir1 n ASN 149 Ca 0.10 -1.95 -0.34 0.00 -0.53 0.00 0.00 54.58 51.86 3ir1 n ASN 149 Cb 0.51 -0.21 -0.05 0.00 -2.08 0.00 0.00 39.78 37.95 3ir1 n ASN 149 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 3ir1 s ASP 150 N -1.09 6.35 0.16 0.53 -4.77 -1.26 -4.99 116.67 111.60 3ir1 s ASP 150 Ca 0.25 0.36 -0.17 0.00 -3.30 0.00 0.00 52.55 49.69 3ir1 s ASP 150 Cb 0.13 -2.00 0.09 0.00 -1.09 0.00 0.00 42.92 40.05 3ir1 s ASP 150 CO 0.17 0.29 1.69 1.55 0.70 0.00 0.00 175.17 179.57 3ir1 h PRO 151 N 4.01 0.06 -0.18 2.11 0.13 -1.98 0.41 132.00 136.56 3ir1 h PRO 151 Ca -0.50 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 3ir1 h PRO 151 Cb 1.19 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3ir1 h PRO 151 CO 0.67 0.04 -0.12 0.66 -0.23 0.00 0.00 178.00 179.02 3ir1 h SER 152 N 0.06 0.26 0.67 1.44 4.64 -1.90 -1.75 113.55 116.97 3ir1 h SER 152 Ca 0.18 -0.05 -0.26 0.00 -0.47 0.00 0.00 61.79 61.18 3ir1 h SER 152 Cb 0.26 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.24 3ir1 h SER 152 CO -0.33 0.42 -1.44 0.78 -0.87 0.00 0.00 176.83 175.38 3ir1 h ASN 153 N 0.26 0.03 -0.79 4.97 2.35 -1.90 -3.31 115.58 117.20 3ir1 h ASN 153 Ca 0.05 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3ir1 h ASN 153 Cb 0.39 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 3ir1 h ASN 153 CO 0.02 1.03 0.31 0.15 -1.65 0.00 0.00 177.43 177.30 3ir1 h PHE 154 N 0.00 1.20 -0.91 1.19 3.57 -0.68 -2.35 116.94 118.96 3ir1 h PHE 154 Ca -0.18 -0.09 0.10 0.00 3.53 0.00 0.00 57.97 61.33 3ir1 h PHE 154 Cb 1.92 -0.36 -0.07 0.00 2.79 0.00 0.00 35.95 40.24 3ir1 h PHE 154 CO 0.00 0.91 0.59 0.00 -2.23 0.00 0.00 178.31 177.58 3ir1 h ALA 155 N 1.19 1.62 -0.46 2.41 0.00 -1.41 -1.06 119.26 121.56 3ir1 h ALA 155 Ca 0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3ir1 h ALA 155 Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3ir1 h ALA 155 CO -0.02 0.19 0.26 0.00 0.00 0.00 0.00 179.25 179.68 3ir1 h ARG 156 N 0.90 0.62 -0.38 0.00 3.08 -1.52 -2.05 114.38 115.03 3ir1 h ARG 156 Ca 0.43 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.36 3ir1 h ARG 156 Cb 0.42 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3ir1 h ARG 156 CO -0.19 0.44 -0.02 0.28 -1.07 0.00 0.00 179.97 179.41 3ir1 h VAL 157 N 0.63 1.26 -0.59 2.04 2.07 -1.17 -1.34 116.25 119.15 3ir1 h VAL 157 Ca 0.16 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 3ir1 h VAL 157 Cb -0.01 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3ir1 h VAL 157 CO -0.03 0.35 0.27 -0.07 0.02 0.00 0.00 177.57 178.11 3ir1 h LEU 158 N 0.50 0.78 -0.40 2.57 3.38 -1.30 -0.07 115.31 120.77 3ir1 h LEU 158 Ca 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3ir1 h LEU 158 Cb 0.50 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3ir1 h LEU 158 CO 0.02 0.70 0.22 0.58 0.09 0.00 0.00 178.44 180.05 3ir1 h VAL 159 N 0.80 1.15 -0.57 1.22 2.07 -1.30 -0.58 116.25 119.06 3ir1 h VAL 159 Ca 0.20 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.33 3ir1 h VAL 159 Cb 0.14 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3ir1 h VAL 159 CO -0.02 0.16 0.37 -0.03 0.02 0.00 0.00 177.57 178.06 3ir1 h MET 160 N 0.52 0.72 -0.46 1.57 1.85 -0.86 -0.29 114.93 117.98 3ir1 h MET 160 Ca 0.14 -0.04 -0.04 0.00 -0.61 0.00 0.00 59.70 59.14 3ir1 h MET 160 Cb 0.06 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 31.91 3ir1 h MET 160 CO -0.02 0.48 0.10 -0.07 -0.40 0.00 0.00 176.91 176.99 3ir1 h LEU 161 N 0.74 0.64 -0.46 3.39 3.38 -0.75 -1.66 115.31 120.60 3ir1 h LEU 161 Ca 0.21 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3ir1 h LEU 161 Cb -0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3ir1 h LEU 161 CO -0.06 0.65 -0.03 -0.78 0.09 0.00 0.00 178.44 178.31 3ir1 h ASP 162 N 0.67 0.82 0.25 -0.43 3.58 -0.36 -1.02 116.42 119.92 3ir1 h ASP 162 Ca 0.15 -0.32 -0.05 0.00 0.42 0.00 0.00 57.03 57.23 3ir1 h ASP 162 Cb 0.27 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 3ir1 h ASP 162 CO -0.00 0.94 -0.23 -0.33 -2.88 0.00 0.00 179.24 176.74 3ir1 h GLU 163 N 0.67 0.00 0.00 0.28 5.08 -0.55 -1.47 114.58 118.59 3ir1 h GLU 163 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3ir1 h GLU 163 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3ir1 h GLU 163 CO 0.03 0.23 -0.34 1.28 -1.00 0.00 0.00 179.01 179.21 3ir1 n LEU 164 N -4.22 0.40 0.00 1.33 4.77 -0.67 -4.94 117.00 113.67 3ir1 n LEU 164 Ca -0.02 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3ir1 n LEU 164 Cb 0.29 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3ir1 n LEU 164 CO 0.37 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3ir1 n GLY 165 N 1.46 0.61 0.20 -0.72 0.00 -0.55 -4.91 105.19 101.28 3ir1 n GLY 165 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.23 1.61 4.06 -1.47 -3.45 115.95 112.47 3ir1 h TRP 166 Ca 0.00 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.77 3ir1 h TRP 166 Cb 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 28.04 3ir1 h TRP 166 CO 0.00 0.23 -0.40 0.96 -3.56 0.00 0.00 178.44 175.67 3ir1 s ILE 167 N -3.34 0.00 -0.11 1.49 -4.36 -1.18 -1.55 121.20 112.15 3ir1 s ILE 167 Ca 0.03 -1.76 -0.01 0.00 -0.26 0.00 0.00 60.65 58.65 3ir1 s ILE 167 Cb 0.08 -2.40 0.03 0.00 1.25 0.00 0.00 42.46 41.42 3ir1 s ILE 167 CO 0.67 0.00 -0.01 -0.75 0.24 0.00 0.00 174.94 175.09 3ir1 s LYS 168 N -4.01 0.84 0.34 0.37 2.47 0.03 -4.10 119.74 115.68 3ir1 s LYS 168 Ca 0.32 -0.10 -0.17 0.00 -1.56 0.00 0.00 55.97 54.46 3ir1 s LYS 168 Cb 0.04 -1.37 -0.09 0.00 -1.46 0.00 0.00 37.83 34.94 3ir1 s LYS 168 CO 0.12 -0.37 0.79 -0.51 0.16 0.00 0.00 175.35 175.54 3ir1 s LEU 169 N 1.88 4.07 0.46 5.43 1.43 -1.26 0.61 118.68 131.30 3ir1 s LEU 169 Ca 0.04 1.41 -0.24 0.00 -1.03 0.00 0.00 54.13 54.30 3ir1 s LEU 169 Cb -0.13 -4.14 -0.07 0.00 0.03 0.00 0.00 46.19 41.88 3ir1 s LEU 169 CO -0.06 -0.21 1.37 -0.54 0.23 0.00 0.00 176.35 177.13 3ir1 s LYS 170 N -2.89 3.62 0.52 1.70 1.02 0.13 -4.62 119.74 119.23 3ir1 s LYS 170 Ca 0.55 2.27 -0.20 0.00 0.02 0.00 0.00 55.97 58.61 3ir1 s LYS 170 Cb -0.11 -2.56 -0.06 0.00 -0.52 0.00 0.00 37.83 34.57 3ir1 s LYS 170 CO 0.17 -0.82 1.14 -0.51 -0.92 0.00 0.00 175.35 174.41 3ir1 s ASP 171 N -0.72 5.82 0.00 2.83 1.01 -1.26 -3.64 116.67 120.70 3ir1 s ASP 171 Ca 0.63 2.21 0.00 0.00 0.71 0.00 0.00 52.55 56.10 3ir1 s ASP 171 Cb -0.41 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 40.94 3ir1 s ASP 171 CO 0.51 -1.16 0.00 0.61 0.21 0.00 0.00 175.17 175.35 3ir1 n GLY 172 N 0.24 2.76 3.75 0.21 0.00 -1.26 -5.02 105.19 105.86 3ir1 n GLY 172 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.09 2.97 -0.38 -0.61 -0.00 -1.24 -4.92 121.20 113.92 3ir1 s ILE 173 Ca 0.00 0.40 -0.29 0.00 -0.00 0.00 0.00 60.65 60.76 3ir1 s ILE 173 Cb 0.00 -2.86 0.00 0.00 -0.00 0.00 0.00 42.46 39.61 3ir1 s ILE 173 CO 0.00 -0.33 1.47 0.21 -0.00 0.00 0.00 174.94 176.30 3ir1 s ASN 174 N -2.73 6.29 0.52 4.36 3.84 -1.26 -4.89 114.94 121.07 3ir1 s ASN 174 Ca 0.67 0.96 0.22 0.00 0.21 0.00 0.00 52.86 54.92 3ir1 s ASN 174 Cb -0.21 -2.54 1.33 0.00 -0.55 0.00 0.00 41.25 39.28 3ir1 s ASN 174 CO 0.48 -1.45 2.03 1.55 -2.79 0.00 0.00 177.10 176.92 3ir1 h PRO 175 N 10.95 0.05 0.00 0.43 0.13 -1.99 -1.55 132.00 140.02 3ir1 h PRO 175 Ca -0.29 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3ir1 h PRO 175 Cb 1.12 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3ir1 h PRO 175 CO 1.07 0.03 0.00 -0.07 -0.23 0.00 0.00 178.00 178.80 3ir1 h LEU 176 N 0.05 0.00 -2.92 1.56 3.38 -1.94 -3.01 115.31 112.43 3ir1 h LEU 176 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3ir1 h LEU 176 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3ir1 h LEU 176 CO -0.01 0.00 -0.01 0.35 0.09 0.00 0.00 178.44 178.86 3ir1 n THR 177 N -2.88 1.30 -1.58 0.22 -2.24 -0.64 -4.80 114.28 103.66 3ir1 n THR 177 Ca 0.01 -1.45 -0.54 0.00 -2.27 0.00 0.00 64.05 59.80 3ir1 n THR 177 Cb 0.28 0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 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 -0.85 -1.51 -2.36 6.98 0.00 -0.86 -4.97 120.51 116.94 3ir1 n ALA 178 Ca 0.06 0.53 -0.20 0.00 0.00 0.00 0.00 53.44 53.84 3ir1 n ALA 178 Cb 0.42 -2.01 -0.09 0.00 0.00 0.00 0.00 19.45 17.77 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 0.52 1.72 0.54 0.00 1.04 -1.26 -4.04 113.70 112.22 3ir1 s SER 179 Ca 0.87 -1.57 0.23 0.00 0.48 0.00 0.00 55.95 55.95 3ir1 s SER 179 Cb -1.03 0.39 1.41 0.00 0.10 0.00 0.00 66.02 66.89 3ir1 s SER 179 CO 0.50 -0.89 2.07 0.11 0.98 0.00 0.00 173.24 176.01 3ir1 h LYS 180 N 2.16 0.00 0.00 4.02 1.57 -1.99 0.23 116.57 122.55 3ir1 h LYS 180 Ca -0.34 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 3ir1 h LYS 180 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 3ir1 h LYS 180 CO 0.52 0.00 -0.11 0.00 -0.57 0.00 0.00 179.45 179.30 3ir1 h ALA 181 N 1.83 1.19 -0.00 3.86 0.00 -1.98 -2.35 119.26 121.82 3ir1 h ALA 181 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ir1 h ALA 181 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ir1 h ALA 181 CO -0.00 0.13 -0.03 -0.25 0.00 0.00 0.00 179.25 179.10 3ir1 n ASP 182 N -3.49 0.26 -4.66 0.00 8.00 0.79 -4.85 116.55 112.60 3ir1 n ASP 182 Ca -0.01 -0.68 -0.43 0.00 0.71 0.00 0.00 54.79 54.37 3ir1 n ASP 182 Cb 0.25 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 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 -2.29 4.52 -0.04 0.53 1.01 -0.89 0.22 121.20 124.26 3ir1 s ILE 183 Ca 0.36 1.83 -0.19 0.00 0.00 0.00 0.00 60.65 62.66 3ir1 s ILE 183 Cb 0.21 -4.19 -0.32 0.00 0.01 0.00 0.00 42.46 38.18 3ir1 s ILE 183 CO 0.42 -0.17 0.84 0.00 0.00 0.00 0.00 174.94 176.04 3ir1 h ALA 184 N 7.76 -0.05 -3.01 9.38 0.00 -0.09 -3.45 119.26 129.80 3ir1 h ALA 184 Ca -0.22 -0.83 -0.16 0.00 0.00 0.00 0.00 54.91 53.71 3ir1 h ALA 184 Cb 1.08 0.20 -0.24 0.00 0.00 0.00 0.00 17.79 18.83 3ir1 h ALA 184 CO 0.98 0.56 -0.44 -1.21 0.00 0.00 0.00 179.25 179.13 3ir1 s GLU 185 N -2.48 0.36 -0.95 0.00 2.02 -0.87 -5.00 118.70 111.77 3ir1 s GLU 185 Ca -0.14 0.10 -0.01 0.00 0.02 0.00 0.00 54.97 54.94 3ir1 s GLU 185 Cb 0.02 0.16 0.29 0.00 0.10 0.00 0.00 34.13 34.71 3ir1 s GLU 185 CO 0.85 -0.07 1.27 -1.71 0.02 0.00 0.00 175.26 175.62 3ir1 n ASN 186 N 2.43 5.67 -0.33 -0.19 2.85 -1.26 -0.79 115.26 123.65 3ir1 n ASN 186 Ca -0.16 -3.42 0.26 0.00 -0.11 0.00 0.00 54.58 51.15 3ir1 n ASN 186 Cb 0.57 -1.10 0.51 0.00 1.24 0.00 0.00 39.78 41.00 3ir1 n ASN 186 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3ir1 h LEU 187 N 5.07 0.35 -3.15 1.20 3.38 -1.86 0.18 115.31 120.48 3ir1 h LEU 187 Ca 0.20 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3ir1 h LEU 187 Cb 0.63 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3ir1 h LEU 187 CO 1.19 -0.28 0.00 0.29 0.09 0.00 0.00 178.44 179.73 3ir1 n LYS 188 N -5.18 3.39 -4.07 1.13 4.76 -0.59 -4.96 118.16 112.64 3ir1 n LYS 188 Ca 0.33 -2.71 -0.29 0.00 -2.87 0.00 0.00 58.31 52.78 3ir1 n LYS 188 Cb 1.09 -1.76 -0.03 0.00 -1.84 0.00 0.00 35.03 32.48 3ir1 n LYS 188 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3ir1 n ASN 189 N 0.44 -0.93 -4.74 4.39 5.15 0.62 -0.35 115.26 119.85 3ir1 n ASN 189 Ca 0.21 -1.04 -0.41 0.00 -0.60 0.00 0.00 54.58 52.74 3ir1 n ASN 189 Cb 0.81 -2.80 -0.03 0.00 -0.53 0.00 0.00 39.78 37.23 3ir1 n ASN 189 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3ir1 s ILE 190 N -3.84 3.18 -0.32 -1.44 -1.09 -1.26 -1.75 121.20 114.68 3ir1 s ILE 190 Ca 0.19 1.00 -0.09 0.00 -2.23 0.00 0.00 60.65 59.52 3ir1 s ILE 190 Cb -0.11 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 3ir1 s ILE 190 CO 0.91 0.16 0.15 -0.54 -1.23 0.00 0.00 174.94 174.39 3ir1 s LYS 191 N -0.32 3.21 -0.25 2.79 -0.14 -0.21 -4.98 119.74 119.84 3ir1 s LYS 191 Ca 0.55 -0.80 -0.16 0.00 -1.36 0.00 0.00 55.97 54.20 3ir1 s LYS 191 Cb -0.37 -3.56 -0.03 0.00 -1.68 0.00 0.00 37.83 32.19 3ir1 s LYS 191 CO 0.40 -0.47 0.44 0.42 -0.76 0.00 0.00 175.35 175.38 3ir1 s ILE 192 N 1.59 5.13 -0.22 2.17 1.01 -1.26 -1.05 121.20 128.57 3ir1 s ILE 192 Ca 0.04 0.74 -0.10 0.00 0.00 0.00 0.00 60.65 61.33 3ir1 s ILE 192 Cb -0.17 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 3ir1 s ILE 192 CO 0.06 0.15 0.15 -0.69 0.00 0.00 0.00 174.94 174.60 3ir1 s VAL 193 N 2.00 5.39 -0.13 2.92 1.01 -0.03 -4.95 120.40 126.61 3ir1 s VAL 193 Ca 0.19 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 3ir1 s VAL 193 Cb -0.15 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3ir1 s VAL 193 CO 0.09 0.40 0.04 -1.61 0.00 0.00 0.00 175.10 174.03 3ir1 s GLU 194 N 0.65 3.47 0.16 2.72 2.02 -1.26 0.31 118.70 126.77 3ir1 s GLU 194 Ca 0.08 -0.34 -0.05 0.00 0.02 0.00 0.00 54.97 54.68 3ir1 s GLU 194 Cb -0.12 -3.02 -0.03 0.00 0.10 0.00 0.00 34.13 31.06 3ir1 s GLU 194 CO 0.01 0.53 0.17 -0.51 0.02 0.00 0.00 175.26 175.48 3ir1 s LEU 195 N -0.37 1.32 0.47 1.80 1.43 -0.56 -4.88 118.68 117.88 3ir1 s LEU 195 Ca 0.08 -1.08 -0.24 0.00 -1.03 0.00 0.00 54.13 51.86 3ir1 s LEU 195 Cb -0.12 0.73 -0.07 0.00 0.03 0.00 0.00 46.19 46.76 3ir1 s LEU 195 CO 0.02 -0.82 1.38 -1.61 0.23 0.00 0.00 176.35 175.54 3ir1 s GLU 196 N -4.03 3.59 0.27 1.70 0.41 -1.26 -1.01 118.70 118.37 3ir1 s GLU 196 Ca 0.23 2.30 -0.01 0.00 -0.41 0.00 0.00 54.97 57.08 3ir1 s GLU 196 Cb 0.05 -2.56 0.59 0.00 -1.78 0.00 0.00 34.13 30.43 3ir1 s GLU 196 CO 0.02 -0.85 1.70 0.00 -0.49 0.00 0.00 175.26 175.65 3ir1 h ALA 197 N 2.15 1.21 0.00 5.21 0.00 -1.93 -1.30 119.26 124.60 3ir1 h ALA 197 Ca -0.51 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3ir1 h ALA 197 Cb 1.27 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3ir1 h ALA 197 CO 0.60 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.56 3ir1 h ALA 198 N 1.64 1.00 0.00 0.00 0.00 -1.89 -2.60 119.26 117.41 3ir1 h ALA 198 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3ir1 h ALA 198 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3ir1 h ALA 198 CO -0.49 0.00 -0.63 1.04 0.00 0.00 0.00 179.25 179.16 3ir1 n GLN 199 N -3.05 0.05 -0.30 0.00 6.02 -0.49 -4.43 117.38 115.17 3ir1 n GLN 199 Ca -0.03 0.01 0.02 0.00 -0.01 0.00 0.00 57.00 56.99 3ir1 n GLN 199 Cb 0.08 -1.52 0.16 0.00 1.02 0.00 0.00 30.24 29.98 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 0.00 0.76 -1.24 1.08 3.38 -1.52 -1.81 115.31 115.96 3ir1 h LEU 200 Ca 0.00 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.09 3ir1 h LEU 200 Cb 0.54 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 3ir1 h LEU 200 CO 0.00 0.46 0.56 -0.65 0.09 0.00 0.00 178.44 178.90 3ir1 h PRO 201 N 0.88 0.83 -0.01 1.13 0.11 -1.80 -0.48 132.00 132.66 3ir1 h PRO 201 Ca 0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3ir1 h PRO 201 Cb 0.27 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.19 3ir1 h PRO 201 CO -0.21 0.55 0.00 0.54 -0.21 0.00 0.00 178.00 178.67 3ir1 n ARG 202 N -4.52 1.12 0.01 1.05 1.74 -0.70 -3.27 116.66 112.10 3ir1 n ARG 202 Ca 0.14 -0.17 0.12 0.00 -0.77 0.00 0.00 57.85 57.17 3ir1 n ARG 202 Cb 0.29 -1.44 0.24 0.00 -1.02 0.00 0.00 32.46 30.53 3ir1 n ARG 202 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3ir1 n SER 203 N -0.74 0.52 0.25 0.55 3.41 -0.19 -4.22 113.62 113.20 3ir1 n SER 203 Ca 0.21 -0.17 0.18 0.00 -0.26 0.00 0.00 58.87 58.82 3ir1 n SER 203 Cb 0.14 0.24 0.84 0.00 -0.26 0.00 0.00 64.21 65.17 3ir1 n SER 203 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3ir1 h ARG 204 N 0.00 0.00 0.00 4.33 3.08 -1.63 0.98 114.38 121.14 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 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3ir1 h ARG 204 CO 0.00 0.00 -0.50 0.00 -1.07 0.00 0.00 179.97 178.40 3ir1 h ALA 205 N 1.52 0.70 0.00 0.04 0.00 -1.87 -2.94 119.26 116.72 3ir1 h ALA 205 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ir1 h ALA 205 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3ir1 h ALA 205 CO -0.00 0.00 -0.74 -0.25 0.00 0.00 0.00 179.25 178.26 3ir1 n ASP 206 N -2.39 1.01 -4.39 0.00 8.00 0.27 -4.82 116.55 114.24 3ir1 n ASP 206 Ca 0.03 -0.55 -0.21 0.00 0.71 0.00 0.00 54.79 54.77 3ir1 n ASP 206 Cb 0.47 1.12 -0.10 0.00 -0.02 0.00 0.00 41.12 42.60 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 -2.17 2.00 0.16 2.53 -7.23 -0.79 -4.99 120.40 109.91 3ir1 s VAL 207 Ca 0.02 -2.26 -0.12 0.00 -1.81 0.00 0.00 61.98 57.81 3ir1 s VAL 207 Cb 0.08 -2.12 0.04 0.00 0.56 0.00 0.00 36.38 34.93 3ir1 s VAL 207 CO 0.43 -0.51 1.63 0.44 -0.31 0.00 0.00 175.10 176.78 3ir1 h ASP 208 N 2.51 0.89 -5.04 4.85 3.45 -1.81 0.28 116.42 121.55 3ir1 h ASP 208 Ca -0.39 -0.28 -0.14 0.00 0.43 0.00 0.00 57.03 56.64 3ir1 h ASP 208 Cb 1.23 -0.24 -0.19 0.00 -0.56 0.00 0.00 39.33 39.57 3ir1 h ASP 208 CO 0.60 0.95 -0.58 -0.36 -1.57 0.00 0.00 179.24 178.29 3ir1 s PHE 209 N -5.10 0.20 -0.04 4.55 0.08 -0.91 -0.98 117.98 115.77 3ir1 s PHE 209 Ca -0.12 -0.45 0.02 0.00 0.12 0.00 0.00 56.93 56.50 3ir1 s PHE 209 Cb 0.12 -0.15 0.01 0.00 -0.57 0.00 0.00 43.02 42.43 3ir1 s PHE 209 CO 0.82 -0.29 -0.10 0.00 -0.10 0.00 0.00 175.22 175.55 3ir1 s ALA 210 N -2.01 1.02 -0.36 5.36 0.00 -0.52 -1.47 121.76 123.77 3ir1 s ALA 210 Ca -0.10 -0.33 -0.15 0.00 0.00 0.00 0.00 51.96 51.37 3ir1 s ALA 210 Cb -0.05 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 3ir1 s ALA 210 CO -0.02 0.12 0.36 0.08 0.00 0.00 0.00 175.76 176.30 3ir1 s VAL 211 N 0.47 5.17 -0.08 0.00 1.01 -0.91 0.50 120.40 126.57 3ir1 s VAL 211 Ca -0.09 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 61.81 3ir1 s VAL 211 Cb -0.12 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3ir1 s VAL 211 CO 0.02 -0.17 -0.19 -0.69 0.00 0.00 0.00 175.10 174.06 3ir1 s VAL 212 N 1.99 2.58 0.31 2.92 1.01 -0.57 -4.66 120.40 123.98 3ir1 s VAL 212 Ca 0.11 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 3ir1 s VAL 212 Cb -0.17 -2.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.10 3ir1 s VAL 212 CO 0.12 0.56 1.29 0.20 0.00 0.00 0.00 175.10 177.27 3ir1 s ASN 213 N -0.12 6.83 0.21 3.32 -0.87 -1.26 -2.95 114.94 120.10 3ir1 s ASN 213 Ca -0.03 2.61 -0.16 0.00 -1.57 0.00 0.00 52.86 53.72 3ir1 s ASN 213 Cb -0.14 -2.64 0.21 0.00 -0.02 0.00 0.00 41.25 38.66 3ir1 s ASN 213 CO 0.04 -0.50 1.61 1.23 -2.57 0.00 0.00 177.10 176.91 3ir1 h GLY 214 N 3.73 0.29 0.51 0.66 0.00 -1.65 -1.29 103.07 105.32 3ir1 h GLY 214 Ca -0.48 0.28 0.11 0.00 0.00 0.00 0.00 47.33 47.24 3ir1 h GLY 214 CO 0.68 -0.24 0.63 3.45 0.00 0.00 0.00 176.54 181.06 3ir1 h ASN 215 N -0.06 0.94 1.25 0.19 -1.07 -1.91 -1.86 115.58 113.06 3ir1 h ASN 215 Ca 0.29 0.04 -0.14 0.00 0.07 0.00 0.00 56.30 56.56 3ir1 h ASN 215 Cb 0.50 -0.15 -0.02 0.00 -2.07 0.00 0.00 38.32 36.58 3ir1 h ASN 215 CO -0.67 0.52 -0.65 1.88 0.07 0.00 0.00 177.43 178.58 3ir1 h TYR 216 N 1.02 0.00 -0.41 4.14 0.99 -1.65 -1.46 116.97 119.60 3ir1 h TYR 216 Ca 0.49 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 61.18 3ir1 h TYR 216 Cb 0.43 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.15 3ir1 h TYR 216 CO -0.00 0.65 0.12 0.00 -0.00 0.00 0.00 178.16 178.92 3ir1 h ALA 217 N 1.35 0.54 0.26 3.88 0.00 -0.54 -0.35 119.26 124.39 3ir1 h ALA 217 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3ir1 h ALA 217 Cb 1.45 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3ir1 h ALA 217 CO 0.08 0.20 -0.12 0.82 0.00 0.00 0.00 179.25 180.24 3ir1 h ILE 218 N 0.53 0.79 0.00 0.00 1.08 -1.32 0.25 117.51 118.83 3ir1 h ILE 218 Ca 0.13 -0.58 -0.02 0.00 -0.39 0.00 0.00 64.86 64.01 3ir1 h ILE 218 Cb 0.28 1.10 -0.00 0.00 -3.07 0.00 0.00 36.82 35.14 3ir1 h ILE 218 CO -0.00 0.12 -0.09 0.77 -0.69 0.00 0.00 178.15 178.26 3ir1 h SER 219 N -0.66 0.00 0.82 1.72 4.64 -1.26 -1.99 113.55 116.82 3ir1 h SER 219 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3ir1 h SER 219 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3ir1 h SER 219 CO 0.06 0.09 -0.18 -1.54 -0.87 0.00 0.00 176.83 174.38 3ir1 n SER 220 N -3.53 0.18 0.00 4.97 3.41 -0.15 -4.91 113.62 113.60 3ir1 n SER 220 Ca -0.02 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 3ir1 n SER 220 Cb 0.22 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 1.50 0.59 3.88 5.00 0.00 -0.75 -5.07 105.19 110.33 3ir1 n GLY 221 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.93 3.07 0.00 1.61 -1.94 0.86 -5.01 119.30 116.97 3ir1 s MET 222 Ca 0.00 0.55 0.07 0.00 -1.71 0.00 0.00 55.69 54.60 3ir1 s MET 222 Cb 0.00 -2.04 -0.03 0.00 2.01 0.00 0.00 34.83 34.78 3ir1 s MET 222 CO 0.00 -0.90 -0.21 0.15 -0.01 0.00 0.00 175.02 174.05 3ir1 s LYS 223 N -5.30 2.14 0.51 2.03 1.02 -1.26 -4.16 119.74 114.72 3ir1 s LYS 223 Ca 0.57 -0.92 0.22 0.00 0.02 0.00 0.00 55.97 55.87 3ir1 s LYS 223 Cb -0.11 -2.15 1.37 0.00 -0.52 0.00 0.00 37.83 36.41 3ir1 s LYS 223 CO 0.52 0.56 2.09 -0.07 -0.92 0.00 0.00 175.35 177.54 3ir1 h LEU 224 N 5.06 0.00 0.00 3.17 3.38 -1.97 -0.89 115.31 124.05 3ir1 h LEU 224 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3ir1 h LEU 224 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3ir1 h LEU 224 CO 0.47 0.10 0.00 0.35 0.09 0.00 0.00 178.44 179.46 3ir1 n THR 225 N -4.00 0.69 1.17 0.22 -2.24 -1.26 -1.75 114.28 107.12 3ir1 n THR 225 Ca -0.02 0.17 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 3ir1 n THR 225 Cb 0.19 -0.93 0.44 0.00 -2.10 0.00 0.00 70.33 67.94 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 -1.34 0.37 -2.00 -0.78 1.02 -0.34 -4.90 120.64 112.67 3ir1 n GLU 226 Ca 0.06 -0.17 -0.41 0.00 -0.02 0.00 0.00 57.16 56.62 3ir1 n GLU 226 Cb 0.13 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.03 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 -2.75 3.64 -0.29 0.62 0.00 -0.71 -4.50 121.76 117.78 3ir1 s ALA 227 Ca 0.19 1.34 0.20 0.00 0.00 0.00 0.00 51.96 53.70 3ir1 s ALA 227 Cb 0.19 -3.57 0.14 0.00 0.00 0.00 0.00 23.12 19.88 3ir1 s ALA 227 CO 0.57 -0.76 1.34 -0.07 0.00 0.00 0.00 175.76 176.84 3ir1 h LEU 228 N 5.16 0.00 -7.00 0.00 3.38 -1.08 -3.46 115.31 112.31 3ir1 h LEU 228 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3ir1 h LEU 228 Cb 1.22 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.73 3ir1 h LEU 228 CO 0.79 0.18 0.27 0.12 0.09 0.00 0.00 178.44 179.88 3ir1 s PHE 229 N -3.16 -0.66 0.08 1.13 5.36 -1.21 -5.00 117.98 114.53 3ir1 s PHE 229 Ca 0.03 1.60 0.10 0.00 -0.96 0.00 0.00 56.93 57.70 3ir1 s PHE 229 Cb 0.07 0.31 -0.03 0.00 -0.34 0.00 0.00 43.02 43.03 3ir1 s PHE 229 CO 0.73 -0.32 -0.26 -0.65 -1.46 0.00 0.00 175.22 173.27 3ir1 s GLN 230 N 0.31 1.67 0.04 10.12 -0.21 -1.26 -0.98 119.66 129.36 3ir1 s GLN 230 Ca 0.01 -1.19 -0.32 0.00 0.02 0.00 0.00 55.36 53.88 3ir1 s GLN 230 Cb -0.05 -1.97 -0.11 0.00 1.00 0.00 0.00 33.01 31.88 3ir1 s GLN 230 CO -0.02 0.49 1.88 -1.91 -2.12 0.00 0.00 175.29 173.61 3ir1 n GLU 231 N 1.40 2.62 0.14 2.91 2.13 -0.29 -4.88 120.64 124.67 3ir1 n GLU 231 Ca -0.17 0.96 0.02 0.00 0.66 0.00 0.00 57.16 58.62 3ir1 n GLU 231 Cb 0.52 -2.85 0.07 0.00 0.27 0.00 0.00 31.44 29.45 3ir1 n GLU 231 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 3ir1 h PRO 232 N 9.26 0.00 -7.24 5.31 0.13 -1.98 -3.46 132.00 134.02 3ir1 h PRO 232 Ca -0.48 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 3ir1 h PRO 232 Cb 1.24 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.57 3ir1 h PRO 232 CO 0.94 0.56 0.27 0.45 -0.23 0.00 0.00 178.00 179.99 3ir1 s SER 233 N -6.50 3.17 0.00 1.44 0.15 -1.26 -4.97 113.70 105.73 3ir1 s SER 233 Ca 0.03 2.27 0.00 0.00 0.70 0.00 0.00 55.95 58.95 3ir1 s SER 233 Cb 0.09 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 3ir1 s SER 233 CO 0.74 -2.94 0.95 0.49 1.20 0.00 0.00 173.24 173.68 3ir1 n PHE 234 N -3.85 0.00 0.45 3.44 3.72 -1.26 -4.66 117.46 115.30 3ir1 n PHE 234 Ca 0.13 -0.45 0.12 0.00 -0.05 0.00 0.00 57.45 57.19 3ir1 n PHE 234 Cb 0.51 -0.04 0.47 0.00 -0.94 0.00 0.00 39.48 39.48 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 -0.45 1.76 -0.67 4.37 0.00 -1.26 -3.32 120.51 120.95 3ir1 n ALA 235 Ca 0.00 0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.57 3ir1 n ALA 235 Cb 0.25 -1.39 0.28 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.16 1.10 -1.84 0.00 4.01 -1.26 -4.64 117.16 112.36 3ir1 n TYR 236 Ca 0.03 -0.69 -0.42 0.00 -0.16 0.00 0.00 57.90 56.66 3ir1 n TYR 236 Cb 0.25 -0.24 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 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 -2.05 2.39 0.68 -0.72 1.01 -1.21 -4.65 120.40 115.85 3ir1 s VAL 237 Ca 0.42 0.26 -0.15 0.00 0.00 0.00 0.00 61.98 62.51 3ir1 s VAL 237 Cb 0.29 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.52 3ir1 s VAL 237 CO 0.16 0.02 1.13 0.20 0.00 0.00 0.00 175.10 176.61 3ir1 s ASN 238 N 1.25 4.83 0.13 3.32 0.02 -1.26 -4.50 114.94 118.73 3ir1 s ASN 238 Ca 0.72 2.08 0.08 0.00 -1.02 0.00 0.00 52.86 54.73 3ir1 s ASN 238 Cb -0.46 -2.56 -0.04 0.00 0.02 0.00 0.00 41.25 38.21 3ir1 s ASN 238 CO 0.32 -1.82 -0.19 0.26 0.02 0.00 0.00 177.10 175.68 3ir1 s TRP 239 N -2.28 1.75 0.45 2.20 0.52 0.53 -1.61 118.94 120.50 3ir1 s TRP 239 Ca 0.68 -0.45 -0.11 0.00 0.02 0.00 0.00 56.10 56.24 3ir1 s TRP 239 Cb -0.22 -0.92 -0.06 0.00 -1.15 0.00 0.00 33.47 31.12 3ir1 s TRP 239 CO 0.43 0.25 0.83 -1.54 0.02 0.00 0.00 176.95 176.94 3ir1 s SER 240 N -2.29 6.50 0.03 2.95 1.04 0.49 -4.20 113.70 118.21 3ir1 s SER 240 Ca 0.11 1.22 0.01 0.00 0.48 0.00 0.00 55.95 57.77 3ir1 s SER 240 Cb -0.08 -2.36 -0.02 0.00 0.10 0.00 0.00 66.02 63.66 3ir1 s SER 240 CO 0.05 -0.48 -0.06 0.00 0.98 0.00 0.00 173.24 173.73 3ir1 s ALA 241 N -2.51 0.41 0.13 5.32 0.00 0.07 -1.29 121.76 123.89 3ir1 s ALA 241 Ca 0.53 -0.58 -0.03 0.00 0.00 0.00 0.00 51.96 51.87 3ir1 s ALA 241 Cb -0.10 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 3ir1 s ALA 241 CO 0.34 -0.03 0.10 0.14 0.00 0.00 0.00 175.76 176.32 3ir1 s VAL 242 N -1.08 0.11 0.34 0.00 -7.23 -0.85 -1.30 120.40 110.39 3ir1 s VAL 242 Ca -0.08 -1.76 -0.28 0.00 -1.81 0.00 0.00 61.98 58.04 3ir1 s VAL 242 Cb -0.08 -1.93 -0.10 0.00 0.56 0.00 0.00 36.38 34.83 3ir1 s VAL 242 CO -0.00 -0.48 1.30 -0.54 -0.31 0.00 0.00 175.10 175.07 3ir1 s LYS 243 N -4.01 4.31 0.39 4.82 1.02 -1.26 -1.41 119.74 123.60 3ir1 s LYS 243 Ca 0.20 2.19 0.12 0.00 0.02 0.00 0.00 55.97 58.51 3ir1 s LYS 243 Cb 0.06 -3.02 0.94 0.00 -0.52 0.00 0.00 37.83 35.29 3ir1 s LYS 243 CO -0.00 -0.22 1.89 1.15 -0.92 0.00 0.00 175.35 177.25 3ir1 h THR 244 N 2.95 0.80 0.00 2.17 2.02 -1.63 -1.13 112.91 118.08 3ir1 h THR 244 Ca -0.49 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.50 3ir1 h THR 244 Cb 1.23 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 3ir1 h THR 244 CO 0.65 0.10 0.00 0.00 0.37 0.00 0.00 175.52 176.64 3ir1 h ALA 245 N 1.62 1.00 -0.02 6.16 0.00 -1.90 -1.59 119.26 124.52 3ir1 h ALA 245 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3ir1 h ALA 245 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ir1 h ALA 245 CO -0.17 0.00 -0.12 -0.25 0.00 0.00 0.00 179.25 178.71 3ir1 n ASP 246 N -2.29 2.36 -0.34 0.00 8.00 -0.43 -4.63 116.55 119.22 3ir1 n ASP 246 Ca -0.01 -1.68 0.25 0.00 0.71 0.00 0.00 54.79 54.06 3ir1 n ASP 246 Cb 0.08 0.15 0.53 0.00 -0.02 0.00 0.00 41.12 41.86 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 3.26 0.33 -0.54 -1.24 1.63 -1.32 -0.24 116.57 118.46 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 0.76 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 3ir1 h LYS 247 CO 0.00 0.22 0.00 -0.25 -3.45 0.00 0.00 179.45 175.97 3ir1 n ASP 248 N -4.64 4.47 -4.73 4.20 9.92 -1.26 -4.90 116.55 119.60 3ir1 n ASP 248 Ca 0.27 -2.52 -0.31 0.00 -0.53 0.00 0.00 54.79 51.70 3ir1 n ASP 248 Cb 0.96 -0.54 0.11 0.00 -0.64 0.00 0.00 41.12 41.02 3ir1 n ASP 248 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3ir1 s SER 249 N -1.08 4.00 0.11 -2.24 1.04 -0.10 -4.95 113.70 110.47 3ir1 s SER 249 Ca 0.46 1.99 -0.03 0.00 0.48 0.00 0.00 55.95 58.86 3ir1 s SER 249 Cb 0.31 -2.54 -0.18 0.00 0.10 0.00 0.00 66.02 63.71 3ir1 s SER 249 CO 0.20 -2.38 1.23 -0.61 0.98 0.00 0.00 173.24 172.67 3ir1 h GLN 250 N -1.25 0.28 -0.65 4.02 5.75 -1.95 -2.99 115.11 118.32 3ir1 h GLN 250 Ca -0.44 -0.39 -0.09 0.00 -0.15 0.00 0.00 58.65 57.58 3ir1 h GLN 250 Cb 1.25 0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.91 3ir1 h GLN 250 CO 0.48 1.13 0.06 0.11 -2.65 0.00 0.00 178.83 177.97 3ir1 h TRP 251 N 0.12 1.19 -0.67 3.99 5.08 -1.95 -1.99 115.95 121.71 3ir1 h TRP 251 Ca -0.10 -0.18 -0.04 0.00 1.08 0.00 0.00 58.89 59.65 3ir1 h TRP 251 Cb 1.78 -0.32 -0.03 0.00 -3.00 0.00 0.00 29.16 27.59 3ir1 h TRP 251 CO 0.05 1.01 0.25 1.25 -1.28 0.00 0.00 178.44 179.73 3ir1 h LEU 252 N 1.02 0.92 -1.18 0.11 5.85 -1.87 -0.07 115.31 120.10 3ir1 h LEU 252 Ca 0.19 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3ir1 h LEU 252 Cb 0.49 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3ir1 h LEU 252 CO 0.02 0.83 0.32 0.50 -0.34 0.00 0.00 178.44 179.77 3ir1 h LYS 253 N 0.98 0.89 -0.08 1.25 3.64 -1.28 -1.06 116.57 120.91 3ir1 h LYS 253 Ca 0.23 -0.11 -0.19 0.00 -1.27 0.00 0.00 60.65 59.31 3ir1 h LYS 253 Cb 0.21 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3ir1 h LYS 253 CO -0.02 0.68 -0.75 -0.44 -2.27 0.00 0.00 179.45 176.65 3ir1 h ASP 254 N 0.89 0.53 -0.53 4.20 3.32 -0.63 -2.93 116.42 121.27 3ir1 h ASP 254 Ca 0.22 -0.36 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 3ir1 h ASP 254 Cb 0.07 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3ir1 h ASP 254 CO -0.03 1.11 0.08 0.58 -1.72 0.00 0.00 179.24 179.25 3ir1 h VAL 255 N 0.30 1.25 -0.06 -1.35 2.07 -0.37 -2.35 116.25 115.74 3ir1 h VAL 255 Ca -0.04 -0.97 -0.10 0.00 0.82 0.00 0.00 66.70 66.41 3ir1 h VAL 255 Cb 1.34 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3ir1 h VAL 255 CO 0.13 0.35 -0.43 0.00 0.02 0.00 0.00 177.57 177.64 3ir1 h THR 256 N 0.76 1.32 0.00 2.57 1.03 -1.23 -2.37 112.91 114.99 3ir1 h THR 256 Ca 0.16 -1.53 -0.08 0.00 -0.01 0.00 0.00 66.41 64.95 3ir1 h THR 256 Cb 0.42 1.74 -0.01 0.00 -1.07 0.00 0.00 68.15 69.23 3ir1 h THR 256 CO 0.01 0.45 -0.38 1.05 -0.01 0.00 0.00 175.52 176.64 3ir1 h GLU 257 N 0.12 0.00 -0.13 0.00 4.11 -1.41 -2.50 114.58 114.78 3ir1 h GLU 257 Ca 0.01 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 3ir1 h GLU 257 Cb 0.81 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3ir1 h GLU 257 CO 0.06 0.38 -0.43 0.00 0.07 0.00 0.00 179.01 179.09 3ir1 h ALA 258 N 1.62 1.04 -0.01 1.06 0.00 -1.00 -0.71 119.26 121.26 3ir1 h ALA 258 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3ir1 h ALA 258 Cb 1.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3ir1 h ALA 258 CO 0.05 0.61 -0.07 0.66 0.00 0.00 0.00 179.25 180.50 3ir1 n TYR 259 N -4.01 0.00 -0.51 0.00 4.01 -0.93 -3.96 117.16 111.75 3ir1 n TYR 259 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3ir1 n TYR 259 Cb 0.50 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 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 -0.76 1.04 -4.86 7.72 3.02 -0.91 -4.86 115.26 115.66 3ir1 n ASN 260 Ca 0.17 -1.55 -0.31 0.00 -0.03 0.00 0.00 54.58 52.86 3ir1 n ASN 260 Cb 0.26 -0.01 -0.00 0.00 -0.61 0.00 0.00 39.78 39.42 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 -0.56 6.31 0.37 6.41 1.04 -0.32 -4.89 113.70 122.06 3ir1 s SER 261 Ca 0.00 1.48 0.07 0.00 0.48 0.00 0.00 55.95 57.99 3ir1 s SER 261 Cb 0.00 -2.48 0.79 0.00 0.10 0.00 0.00 66.02 64.43 3ir1 s SER 261 CO 0.00 -0.81 1.95 0.44 0.98 0.00 0.00 173.24 175.80 3ir1 h ASP 262 N 0.06 0.62 -0.01 7.02 3.32 -1.95 -1.30 116.42 124.18 3ir1 h ASP 262 Ca -0.45 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 3ir1 h ASP 262 Cb 1.19 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 3ir1 h ASP 262 CO 0.62 0.39 0.01 0.00 -1.72 0.00 0.00 179.24 178.53 3ir1 h ALA 263 N 1.62 0.02 -0.71 3.45 0.00 -1.95 -0.48 119.26 121.21 3ir1 h ALA 263 Ca 0.33 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.19 3ir1 h ALA 263 Cb 0.36 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3ir1 h ALA 263 CO -0.11 -0.41 0.44 0.35 0.00 0.00 0.00 179.25 179.52 3ir1 h PHE 264 N -0.12 0.83 -0.62 0.00 3.57 -1.60 0.35 116.94 119.35 3ir1 h PHE 264 Ca 0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.55 3ir1 h PHE 264 Cb 0.14 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 3ir1 h PHE 264 CO -0.03 0.48 0.39 0.87 -2.23 0.00 0.00 178.31 177.79 3ir1 h LYS 265 N 0.87 0.76 -0.56 1.11 1.57 -1.04 0.50 116.57 119.78 3ir1 h LYS 265 Ca 0.28 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3ir1 h LYS 265 Cb 0.01 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 3ir1 h LYS 265 CO -0.10 0.50 0.35 0.00 -0.57 0.00 0.00 179.45 179.62 3ir1 h ALA 266 N 1.25 0.71 -0.14 3.86 0.00 -0.29 0.20 119.26 124.86 3ir1 h ALA 266 Ca 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ir1 h ALA 266 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3ir1 h ALA 266 CO -0.08 0.18 0.09 -0.92 0.00 0.00 0.00 179.25 178.51 3ir1 h TYR 267 N 0.75 0.18 -0.06 0.00 3.20 -0.12 -2.62 116.97 118.30 3ir1 h TYR 267 Ca 0.20 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.08 3ir1 h TYR 267 Cb -0.03 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3ir1 h TYR 267 CO -0.03 0.15 0.01 0.00 -1.64 0.00 0.00 178.16 176.65 3ir1 h ALA 268 N 1.02 0.06 -0.89 1.82 0.00 0.46 0.67 119.26 122.40 3ir1 h ALA 268 Ca 0.05 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3ir1 h ALA 268 Cb 0.02 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3ir1 h ALA 268 CO -0.01 -0.47 0.57 1.25 0.00 0.00 0.00 179.25 180.60 3ir1 h HIS 269 N 0.04 0.97 0.00 0.00 -0.00 -0.52 0.23 115.15 115.87 3ir1 h HIS 269 Ca 0.03 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.28 3ir1 h HIS 269 Cb 0.02 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.09 3ir1 h HIS 269 CO -0.10 0.47 -1.49 0.36 -0.00 0.00 0.00 177.93 177.17 3ir1 n LYS 270 N -4.52 0.63 -0.07 5.26 2.85 -1.00 -4.28 118.16 117.04 3ir1 n LYS 270 Ca 0.14 0.14 -0.03 0.00 -1.05 0.00 0.00 58.31 57.52 3ir1 n LYS 270 Cb 0.27 -1.76 -0.16 0.00 -0.65 0.00 0.00 35.03 32.73 3ir1 n LYS 270 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3ir1 n ARG 271 N -2.78 0.68 -3.14 -1.58 0.00 0.21 -4.64 116.66 105.41 3ir1 n ARG 271 Ca -0.10 -0.06 -0.26 0.00 -0.00 0.00 0.00 57.85 57.44 3ir1 n ARG 271 Cb 0.79 -1.53 -0.05 0.00 0.00 0.00 0.00 32.46 31.67 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 -2.60 3.20 -2.15 -0.14 3.72 0.78 -5.05 117.46 115.21 3ir1 n PHE 272 Ca -0.23 -4.00 -0.42 0.00 -0.05 0.00 0.00 57.45 52.76 3ir1 n PHE 272 Cb 0.96 -0.49 -0.03 0.00 -0.94 0.00 0.00 39.48 38.98 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 -2.89 4.33 0.00 -1.08 2.12 -1.26 -2.71 118.70 117.21 3ir1 s GLU 273 Ca 0.44 2.11 0.00 0.00 0.36 0.00 0.00 54.97 57.89 3ir1 s GLU 273 Cb 0.24 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.43 3ir1 s GLU 273 CO -0.09 -0.38 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 3ir1 n GLY 274 N 2.93 0.77 3.87 -1.50 0.00 -1.26 -5.05 105.19 104.94 3ir1 n GLY 274 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.81 3.42 0.07 1.61 4.12 -1.10 -4.55 117.35 118.11 3ir1 s TYR 275 Ca 0.00 1.01 -0.28 0.00 0.02 0.00 0.00 57.07 57.82 3ir1 s TYR 275 Cb 0.00 -2.39 -0.05 0.00 -1.52 0.00 0.00 41.96 38.00 3ir1 s TYR 275 CO 0.00 0.11 0.90 0.15 0.02 0.00 0.00 175.55 176.73 3ir1 s LYS 276 N -3.20 4.62 0.40 -0.62 1.02 0.59 -4.76 119.74 117.78 3ir1 s LYS 276 Ca 0.50 1.33 -0.09 0.00 0.02 0.00 0.00 55.97 57.73 3ir1 s LYS 276 Cb -0.11 -3.39 -0.06 0.00 -0.52 0.00 0.00 37.83 33.76 3ir1 s LYS 276 CO 0.23 0.18 0.74 -1.12 -0.92 0.00 0.00 175.35 174.46 3ir1 s SER 277 N 0.18 6.47 0.46 2.83 0.01 -1.26 -0.71 113.70 121.68 3ir1 s SER 277 Ca 0.45 1.03 -0.24 0.00 1.31 0.00 0.00 55.95 58.50 3ir1 s SER 277 Cb -0.22 -2.28 -0.08 0.00 0.21 0.00 0.00 66.02 63.65 3ir1 s SER 277 CO 0.27 -0.39 1.32 -2.65 0.41 0.00 0.00 173.24 172.20 3ir1 n PRO 278 N -1.39 1.93 -0.37 12.44 -0.02 -1.26 -4.87 135.00 141.47 3ir1 n PRO 278 Ca 0.01 0.69 0.01 0.00 -2.02 0.00 0.00 63.50 62.20 3ir1 n PRO 278 Cb 0.54 -2.48 0.16 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 1.96 1.37 -0.29 3.55 0.00 -1.95 -2.16 119.26 121.74 3ir1 h ALA 279 Ca -0.49 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.46 3ir1 h ALA 279 Cb 1.29 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3ir1 h ALA 279 CO 0.59 0.52 0.34 0.00 0.00 0.00 0.00 179.25 180.70 3ir1 h ALA 280 N 1.43 1.94 0.00 0.00 0.00 -1.99 -3.55 119.26 117.09 3ir1 h ALA 280 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3ir1 h ALA 280 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ir1 h ALA 280 CO -0.14 -0.49 0.00 0.91 0.00 0.00 0.00 179.25 179.53