#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 4.02 -0.22 1.97 2.12 -1.26 0.57 118.70 125.90 3ir1 s GLU 44 Ca 0.00 -0.31 -0.01 0.00 0.36 0.00 0.00 54.97 55.01 3ir1 s GLU 44 Cb 0.00 -3.40 0.02 0.00 0.26 0.00 0.00 34.13 31.00 3ir1 s GLU 44 CO 0.00 0.13 -0.11 0.42 -0.54 0.00 0.00 175.26 175.16 3ir1 s ILE 45 N 0.81 2.65 -0.29 -3.70 1.01 -0.39 -4.96 121.20 116.32 3ir1 s ILE 45 Ca 0.06 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.67 3ir1 s ILE 45 Cb -0.13 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 3ir1 s ILE 45 CO 0.02 0.37 0.37 -0.69 0.00 0.00 0.00 174.94 175.01 3ir1 s VAL 46 N 1.34 5.17 -0.03 2.92 1.01 -1.26 -1.10 120.40 128.46 3ir1 s VAL 46 Ca 0.03 0.41 -0.05 0.00 0.00 0.00 0.00 61.98 62.38 3ir1 s VAL 46 Cb -0.15 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3ir1 s VAL 46 CO -0.07 0.09 0.20 -0.36 0.00 0.00 0.00 175.10 174.95 3ir1 s PHE 47 N 2.06 3.57 -0.11 5.22 0.40 0.15 -1.23 117.98 128.03 3ir1 s PHE 47 Ca 0.14 0.45 0.02 0.00 -0.60 0.00 0.00 56.93 56.94 3ir1 s PHE 47 Cb -0.16 -1.90 0.01 0.00 0.51 0.00 0.00 43.02 41.49 3ir1 s PHE 47 CO 0.11 0.66 -0.17 0.20 0.70 0.00 0.00 175.22 176.72 3ir1 s GLY 48 N -1.69 1.10 0.21 4.36 0.00 -0.13 -0.47 107.32 110.70 3ir1 s GLY 48 Ca 0.25 -0.79 -0.04 0.00 0.00 0.00 0.00 44.72 44.14 3ir1 s GLY 48 CO 0.15 0.15 0.22 -0.51 0.00 0.00 0.00 173.10 173.11 3ir1 s THR 49 N 0.90 0.00 0.91 0.90 -4.23 -0.60 -0.42 115.64 113.10 3ir1 s THR 49 Ca -0.08 -1.86 -0.14 0.00 -1.18 0.00 0.00 61.69 58.44 3ir1 s THR 49 Cb -0.15 -2.43 0.15 0.00 1.34 0.00 0.00 72.50 71.40 3ir1 s THR 49 CO -0.01 0.00 1.21 0.42 -0.54 0.00 0.00 174.62 175.70 3ir1 s THR 50 N -4.10 1.97 0.45 3.99 -4.23 -1.25 -0.17 115.64 112.29 3ir1 s THR 50 Ca 0.35 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.63 3ir1 s THR 50 Cb 0.05 -2.91 -0.08 0.00 1.34 0.00 0.00 72.50 70.90 3ir1 s THR 50 CO 0.12 0.00 1.11 -0.69 -0.54 0.00 0.00 174.62 174.62 3ir1 s VAL 51 N -3.57 3.39 0.00 2.29 1.01 -0.74 -4.19 120.40 118.59 3ir1 s VAL 51 Ca 0.67 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.67 3ir1 s VAL 51 Cb -0.09 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3ir1 s VAL 51 CO 0.52 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.19 3ir1 n GLY 52 N 0.32 0.93 0.29 4.51 0.00 -1.26 -4.73 105.19 105.24 3ir1 n GLY 52 Ca 0.07 -1.31 -0.06 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.84 0.16 1.61 -0.00 -1.88 -0.71 116.42 114.75 3ir1 h ASP 53 Ca 0.00 0.17 -0.03 0.00 -0.00 0.00 0.00 57.03 57.17 3ir1 h ASP 53 Cb 0.00 0.42 -0.00 0.00 -0.00 0.00 0.00 39.33 39.75 3ir1 h ASP 53 CO 0.00 -0.27 -0.15 -0.26 -0.00 0.00 0.00 179.24 178.56 3ir1 h PHE 54 N -0.19 0.00 -0.06 4.15 0.04 -1.85 -2.03 116.94 117.01 3ir1 h PHE 54 Ca 0.19 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.78 3ir1 h PHE 54 Cb 0.48 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 3ir1 h PHE 54 CO -0.48 0.15 -0.72 0.78 -0.60 0.00 0.00 178.31 177.44 3ir1 h GLY 55 N 0.47 0.36 1.18 -1.45 0.00 -1.45 -3.16 103.07 99.01 3ir1 h GLY 55 Ca -0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.72 3ir1 h GLY 55 CO 0.02 0.45 -0.08 -0.55 0.00 0.00 0.00 176.54 176.39 3ir1 h ASP 56 N 0.22 0.96 -0.82 0.19 3.32 -0.47 -2.27 116.42 117.56 3ir1 h ASP 56 Ca -0.03 -0.30 0.06 0.00 0.02 0.00 0.00 57.03 56.79 3ir1 h ASP 56 Cb 1.29 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.52 3ir1 h ASP 56 CO 0.12 1.06 0.50 0.24 -1.72 0.00 0.00 179.24 179.43 3ir1 h MET 57 N 0.87 0.87 0.33 3.56 2.86 -1.41 0.44 114.93 122.45 3ir1 h MET 57 Ca 0.14 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3ir1 h MET 57 Cb 0.62 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.08 3ir1 h MET 57 CO 0.04 0.58 -0.16 0.28 1.06 0.00 0.00 176.91 178.71 3ir1 h VAL 58 N 0.90 0.64 -0.25 -2.22 2.07 -1.48 -0.26 116.25 115.64 3ir1 h VAL 58 Ca 0.36 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 3ir1 h VAL 58 Cb 0.19 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3ir1 h VAL 58 CO -0.18 0.11 -0.13 0.11 0.02 0.00 0.00 177.57 177.50 3ir1 h LYS 59 N -0.81 0.42 0.12 1.57 1.57 -1.24 0.36 116.57 118.55 3ir1 h LYS 59 Ca -0.04 -0.12 -0.28 0.00 -1.87 0.00 0.00 60.65 58.34 3ir1 h LYS 59 Cb 0.52 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 3ir1 h LYS 59 CO 0.07 0.55 -1.45 0.93 -0.57 0.00 0.00 179.45 178.98 3ir1 h GLU 60 N 0.39 0.25 0.00 3.15 5.08 -0.17 -3.44 114.58 119.83 3ir1 h GLU 60 Ca 0.07 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3ir1 h GLU 60 Cb 0.47 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3ir1 h GLU 60 CO 0.03 1.20 -0.99 0.94 -1.00 0.00 0.00 179.01 179.19 3ir1 n GLN 61 N -3.90 0.00 0.23 2.33 -0.06 -0.28 -4.73 117.38 110.97 3ir1 n GLN 61 Ca -0.25 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 54.59 3ir1 n GLN 61 Cb 0.91 -0.59 -0.08 0.00 -4.06 0.00 0.00 30.24 26.42 3ir1 n GLN 61 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 3ir1 h ILE 62 N 0.00 0.61 -0.35 1.69 1.08 -1.04 -2.68 117.51 116.82 3ir1 h ILE 62 Ca 0.00 -0.08 0.07 0.00 -0.39 0.00 0.00 64.86 64.46 3ir1 h ILE 62 Cb 0.99 0.66 -0.09 0.00 -3.07 0.00 0.00 36.82 35.31 3ir1 h ILE 62 CO 0.00 0.02 -0.33 -0.61 -0.69 0.00 0.00 178.15 176.54 3ir1 h GLN 63 N -0.58 -0.27 -0.23 2.37 4.15 -0.52 -0.04 115.11 119.98 3ir1 h GLN 63 Ca -0.05 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.44 3ir1 h GLN 63 Cb 0.44 0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.13 3ir1 h GLN 63 CO 0.09 -0.18 -0.15 -1.35 -1.93 0.00 0.00 178.83 175.31 3ir1 h PRO 64 N -0.28 -0.13 -0.98 -2.39 0.11 -1.79 0.68 132.00 127.22 3ir1 h PRO 64 Ca 0.16 0.01 0.13 0.00 0.11 0.00 0.00 66.00 66.41 3ir1 h PRO 64 Cb 0.54 0.03 -0.09 0.00 0.11 0.00 0.00 31.00 31.59 3ir1 h PRO 64 CO -0.50 -0.09 0.60 0.93 -0.21 0.00 0.00 178.00 178.73 3ir1 h GLU 65 N -0.14 0.89 -0.03 1.05 5.08 -0.97 -2.53 114.58 117.93 3ir1 h GLU 65 Ca 0.13 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 3ir1 h GLU 65 Cb 0.34 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.40 3ir1 h GLU 65 CO -0.32 0.59 -0.62 -0.07 -1.00 0.00 0.00 179.01 177.59 3ir1 h LEU 66 N 0.91 0.60 -2.10 1.33 3.38 -0.15 -3.20 115.31 116.08 3ir1 h LEU 66 Ca 0.50 -0.72 0.05 0.00 0.09 0.00 0.00 57.88 57.80 3ir1 h LEU 66 Cb 0.55 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3ir1 h LEU 66 CO -0.29 1.24 0.15 -0.33 0.09 0.00 0.00 178.44 179.29 3ir1 h GLU 67 N 0.02 0.00 0.00 1.13 5.08 -0.70 0.40 114.58 120.52 3ir1 h GLU 67 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3ir1 h GLU 67 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3ir1 h GLU 67 CO 0.12 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.30 3ir1 n LYS 68 N -4.27 0.42 -0.04 2.33 4.81 -0.97 -0.28 118.16 120.16 3ir1 n LYS 68 Ca 0.01 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.47 3ir1 n LYS 68 Cb 0.28 -1.41 0.02 0.00 0.02 0.00 0.00 35.03 33.94 3ir1 n LYS 68 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3ir1 n LYS 69 N -0.91 1.72 -0.12 1.64 5.02 0.14 -4.98 118.16 120.67 3ir1 n LYS 69 Ca 0.08 -1.32 0.00 0.00 -2.02 0.00 0.00 58.31 55.05 3ir1 n LYS 69 Cb 0.04 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 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 -0.44 0.83 3.82 0.72 0.00 0.61 -5.06 105.19 105.67 3ir1 n GLY 70 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.43 3.29 -0.07 1.61 2.02 -1.11 -4.89 117.35 115.78 3ir1 s TYR 71 Ca 0.00 1.60 0.03 0.00 -0.37 0.00 0.00 57.07 58.33 3ir1 s TYR 71 Cb 0.00 -2.86 -0.02 0.00 -0.40 0.00 0.00 41.96 38.67 3ir1 s TYR 71 CO 0.00 -0.18 -0.13 -0.08 -1.57 0.00 0.00 175.55 173.58 3ir1 s THR 72 N -2.19 3.13 -0.08 -0.71 -1.32 0.19 -3.44 115.64 111.22 3ir1 s THR 72 Ca 0.62 -0.69 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 3ir1 s THR 72 Cb -0.10 -2.25 -0.03 0.00 -1.51 0.00 0.00 72.50 68.62 3ir1 s THR 72 CO 0.15 0.58 -0.07 -0.69 -2.21 0.00 0.00 174.62 172.38 3ir1 s VAL 73 N -0.55 3.66 -0.08 5.08 1.01 -1.26 -1.27 120.40 127.00 3ir1 s VAL 73 Ca 0.08 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.61 3ir1 s VAL 73 Cb -0.12 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.76 3ir1 s VAL 73 CO 0.01 0.58 -0.19 -0.75 0.00 0.00 0.00 175.10 174.75 3ir1 s LYS 74 N -0.57 2.37 -0.13 2.72 2.20 -0.25 -4.95 119.74 121.13 3ir1 s LYS 74 Ca 0.08 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 55.02 3ir1 s LYS 74 Cb -0.12 -1.87 -0.01 0.00 -1.51 0.00 0.00 37.83 34.32 3ir1 s LYS 74 CO 0.02 0.15 -0.15 -1.17 -0.36 0.00 0.00 175.35 173.84 3ir1 s LEU 75 N 0.38 2.59 -0.13 5.43 2.96 -1.26 0.32 118.68 128.97 3ir1 s LEU 75 Ca -0.14 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 3ir1 s LEU 75 Cb -0.16 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 44.96 3ir1 s LEU 75 CO 0.06 0.15 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.36 3ir1 s VAL 76 N 0.44 1.77 -0.06 1.68 1.01 0.38 -4.95 120.40 120.67 3ir1 s VAL 76 Ca -0.11 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3ir1 s VAL 76 Cb -0.16 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3ir1 s VAL 76 CO 0.05 0.49 -0.04 -1.61 0.00 0.00 0.00 175.10 173.99 3ir1 s GLU 77 N 0.95 2.79 0.04 2.72 2.02 -1.26 -1.56 118.70 124.40 3ir1 s GLU 77 Ca -0.06 -0.54 0.09 0.00 0.02 0.00 0.00 54.97 54.49 3ir1 s GLU 77 Cb -0.15 -2.64 -0.03 0.00 0.10 0.00 0.00 34.13 31.42 3ir1 s GLU 77 CO -0.03 0.66 -0.26 -0.06 0.02 0.00 0.00 175.26 175.60 3ir1 s PHE 78 N -0.87 2.29 0.06 1.61 0.08 0.76 -4.90 117.98 117.01 3ir1 s PHE 78 Ca 0.14 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.79 3ir1 s PHE 78 Cb -0.11 -1.39 -0.25 0.00 -0.57 0.00 0.00 43.02 40.70 3ir1 s PHE 78 CO 0.03 0.10 1.06 1.79 -0.10 0.00 0.00 175.22 178.11 3ir1 h THR 79 N 4.27 1.41 -1.41 0.64 1.35 -1.94 -1.98 112.91 115.25 3ir1 h THR 79 Ca -0.46 -3.08 -0.46 0.00 -0.55 0.00 0.00 66.41 61.87 3ir1 h THR 79 Cb 1.14 2.81 0.04 0.00 -1.73 0.00 0.00 68.15 70.41 3ir1 h THR 79 CO 0.44 0.86 -0.09 1.51 -0.25 0.00 0.00 175.52 177.99 3ir1 s ASP 80 N -6.86 5.11 0.00 5.36 -4.77 -1.26 -4.78 116.67 109.47 3ir1 s ASP 80 Ca -0.04 -0.55 0.22 0.00 -3.30 0.00 0.00 52.55 48.88 3ir1 s ASP 80 Cb 0.08 -0.13 -0.01 0.00 -1.09 0.00 0.00 42.92 41.77 3ir1 s ASP 80 CO 0.85 -1.28 1.07 -1.22 0.70 0.00 0.00 175.17 175.29 3ir1 n TYR 81 N -2.27 0.00 0.03 2.11 4.01 -1.26 -4.59 117.16 115.18 3ir1 n TYR 81 Ca 0.13 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.65 3ir1 n TYR 81 Cb 0.61 -0.01 -0.14 0.00 -0.31 0.00 0.00 39.34 39.48 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 1.73 0.74 -0.26 -0.72 2.07 -2.01 -3.42 116.25 114.39 3ir1 h VAL 82 Ca 0.00 -2.41 -0.14 0.00 0.82 0.00 0.00 66.70 64.97 3ir1 h VAL 82 Cb 0.68 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 3ir1 h VAL 82 CO 0.00 0.89 -0.38 0.03 0.02 0.00 0.00 177.57 178.13 3ir1 h ARG 83 N 0.09 0.72 -0.88 1.57 3.08 -2.01 -3.37 114.38 113.58 3ir1 h ARG 83 Ca -0.39 -0.42 0.17 0.00 0.07 0.00 0.00 59.98 59.40 3ir1 h ARG 83 Cb 2.06 0.04 -0.16 0.00 0.08 0.00 0.00 29.97 31.98 3ir1 h ARG 83 CO 0.12 1.04 -0.25 -1.35 -1.07 0.00 0.00 179.97 178.47 3ir1 h PRO 84 N 0.45 -0.01 -0.02 0.04 0.11 -1.83 0.37 132.00 131.11 3ir1 h PRO 84 Ca 0.03 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.03 3ir1 h PRO 84 Cb 0.97 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3ir1 h PRO 84 CO 0.09 -0.01 -0.49 -0.91 -0.21 0.00 0.00 178.00 176.47 3ir1 h ASN 85 N -0.01 0.05 -0.18 -2.05 2.35 -1.85 -0.92 115.58 112.97 3ir1 h ASN 85 Ca 0.40 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 56.01 3ir1 h ASN 85 Cb 0.63 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3ir1 h ASN 85 CO -0.90 0.53 -0.35 -0.07 -1.65 0.00 0.00 177.43 174.99 3ir1 h LEU 86 N 0.04 0.62 -1.36 1.61 3.38 -1.15 -1.12 115.31 117.33 3ir1 h LEU 86 Ca -0.00 -0.55 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 3ir1 h LEU 86 Cb 0.87 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3ir1 h LEU 86 CO 0.07 1.05 -0.02 0.00 0.09 0.00 0.00 178.44 179.63 3ir1 h ALA 87 N 0.59 1.48 0.36 1.53 0.00 -0.24 -0.78 119.26 122.19 3ir1 h ALA 87 Ca 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3ir1 h ALA 87 Cb 0.94 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3ir1 h ALA 87 CO 0.08 0.37 -0.17 1.25 0.00 0.00 0.00 179.25 180.78 3ir1 h LEU 88 N 0.39 -0.40 -1.46 0.00 5.85 -1.00 0.13 115.31 118.81 3ir1 h LEU 88 Ca 0.09 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.72 3ir1 h LEU 88 Cb 0.29 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 3ir1 h LEU 88 CO 0.01 -0.02 0.44 0.00 -0.34 0.00 0.00 178.44 178.52 3ir1 h ALA 89 N -0.39 1.78 0.00 1.25 0.00 -1.05 -1.25 119.26 119.60 3ir1 h ALA 89 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ir1 h ALA 89 Cb 0.53 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3ir1 h ALA 89 CO 0.08 0.11 0.00 0.93 0.00 0.00 0.00 179.25 180.37 3ir1 h GLU 90 N 0.65 0.00 0.00 0.00 5.08 -1.13 -3.46 114.58 115.72 3ir1 h GLU 90 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3ir1 h GLU 90 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3ir1 h GLU 90 CO -0.09 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.33 3ir1 n GLY 91 N -0.11 0.87 0.14 -3.84 0.00 -0.47 -4.94 105.19 96.83 3ir1 n GLY 91 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.03 3ir1 n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ir1 h GLU 92 N 3.02 0.00 -5.69 1.61 3.07 -0.93 -3.45 114.58 112.21 3ir1 h GLU 92 Ca 0.00 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 58.39 3ir1 h GLU 92 Cb 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 27.73 3ir1 h GLU 92 CO 0.00 0.53 -0.77 -0.51 -1.40 0.00 0.00 179.01 176.85 3ir1 s LEU 93 N -6.53 2.41 -0.10 1.33 1.43 -1.01 -4.94 118.68 111.28 3ir1 s LEU 93 Ca 0.03 -0.83 0.17 0.00 -1.03 0.00 0.00 54.13 52.47 3ir1 s LEU 93 Cb 0.08 -0.69 -0.23 0.00 0.03 0.00 0.00 46.19 45.38 3ir1 s LEU 93 CO 0.74 -0.09 0.40 0.47 0.23 0.00 0.00 176.35 178.10 3ir1 n ASP 94 N 0.46 0.38 -3.55 2.29 8.00 -0.37 -4.66 116.55 119.11 3ir1 n ASP 94 Ca -0.15 0.18 -0.17 0.00 0.71 0.00 0.00 54.79 55.36 3ir1 n ASP 94 Cb 0.57 0.65 -0.06 0.00 -0.02 0.00 0.00 41.12 42.26 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 0.10 0.53 2.07 -1.10 -4.47 121.20 115.66 3ir1 s ILE 95 Ca -0.07 -0.02 0.05 0.00 -1.41 0.00 0.00 60.65 59.20 3ir1 s ILE 95 Cb 0.08 -0.98 -0.03 0.00 0.13 0.00 0.00 42.46 41.65 3ir1 s ILE 95 CO 0.83 -0.01 -0.14 0.54 -1.91 0.00 0.00 174.94 174.26 3ir1 s ASN 96 N -0.98 1.82 -0.31 4.50 2.20 -0.49 -0.96 114.94 120.72 3ir1 s ASN 96 Ca -0.10 -0.75 -0.02 0.00 -0.94 0.00 0.00 52.86 51.06 3ir1 s ASN 96 Cb -0.01 -0.05 0.10 0.00 -2.00 0.00 0.00 41.25 39.29 3ir1 s ASN 96 CO 0.09 -0.14 0.12 -0.69 -2.94 0.00 0.00 177.10 173.54 3ir1 s VAL 97 N -1.90 0.53 0.00 3.54 1.01 0.44 -0.42 120.40 123.60 3ir1 s VAL 97 Ca 0.05 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.80 3ir1 s VAL 97 Cb -0.06 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.91 3ir1 s VAL 97 CO 0.02 -0.72 0.00 2.22 0.00 0.00 0.00 175.10 176.62 3ir1 n PHE 98 N 4.90 0.00 -4.39 5.22 1.16 -1.26 -3.95 117.46 119.15 3ir1 n PHE 98 Ca -0.02 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.36 3ir1 n PHE 98 Cb 0.41 0.01 -0.10 0.00 -1.61 0.00 0.00 39.48 38.19 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 1.49 0.36 3.97 -2.07 -1.26 -4.94 119.66 117.21 3ir1 s GLN 99 Ca 0.00 -1.79 0.07 0.00 -1.82 0.00 0.00 55.36 51.82 3ir1 s GLN 99 Cb 0.00 -0.73 -0.01 0.00 -1.09 0.00 0.00 33.01 31.18 3ir1 s GLN 99 CO 0.00 -0.14 0.47 -3.38 -1.32 0.00 0.00 175.29 170.92 3ir1 s HIS 100 N -3.36 2.99 0.19 9.60 -3.43 -1.26 -0.63 115.29 119.39 3ir1 s HIS 100 Ca 0.33 -0.29 -0.12 0.00 -0.80 0.00 0.00 55.06 54.18 3ir1 s HIS 100 Cb 0.07 -2.08 0.17 0.00 -1.43 0.00 0.00 32.58 29.32 3ir1 s HIS 100 CO 0.12 -0.09 1.78 -0.22 -2.00 0.00 0.00 174.74 174.33 3ir1 h LYS 101 N 0.88 0.48 -0.91 -0.38 3.64 -1.83 -1.89 116.57 116.56 3ir1 h LYS 101 Ca -0.44 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 58.98 3ir1 h LYS 101 Cb 1.26 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 3ir1 h LYS 101 CO 0.52 0.32 0.59 -1.35 -2.27 0.00 0.00 179.45 177.26 3ir1 h PRO 102 N 0.50 1.01 -0.33 1.90 0.11 -1.96 0.93 132.00 134.16 3ir1 h PRO 102 Ca 0.25 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.21 3ir1 h PRO 102 Cb 0.19 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 3ir1 h PRO 102 CO -0.19 0.67 -0.14 -0.92 -0.21 0.00 0.00 178.00 177.21 3ir1 h TYR 103 N 1.04 0.77 -0.09 0.65 5.03 -1.83 -2.25 116.97 120.29 3ir1 h TYR 103 Ca 0.39 -0.19 0.01 0.00 2.58 0.00 0.00 58.73 61.52 3ir1 h TYR 103 Cb 0.20 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.29 3ir1 h TYR 103 CO -0.00 0.88 0.04 1.25 -1.32 0.00 0.00 178.16 179.00 3ir1 h LEU 104 N 0.45 0.05 -1.28 2.82 6.46 -0.60 0.92 115.31 124.13 3ir1 h LEU 104 Ca 0.08 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 3ir1 h LEU 104 Cb 0.66 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 3ir1 h LEU 104 CO 0.04 0.04 0.22 0.44 -0.62 0.00 0.00 178.44 178.57 3ir1 h ASP 105 N 0.09 0.65 0.01 1.25 3.32 -0.82 -1.97 116.42 118.94 3ir1 h ASP 105 Ca 0.04 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3ir1 h ASP 105 Cb 0.01 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3ir1 h ASP 105 CO -0.03 0.57 -0.01 -0.78 -1.72 0.00 0.00 179.24 177.27 3ir1 h ASP 106 N 0.71 -0.02 -0.72 6.45 3.58 -1.03 -3.10 116.42 122.31 3ir1 h ASP 106 Ca 0.18 -0.50 -0.06 0.00 0.42 0.00 0.00 57.03 57.07 3ir1 h ASP 106 Cb 0.11 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 3ir1 h ASP 106 CO -0.02 0.49 0.22 0.15 -2.88 0.00 0.00 179.24 177.21 3ir1 h PHE 107 N -0.53 1.16 0.00 0.28 3.04 -0.65 -1.11 116.94 119.13 3ir1 h PHE 107 Ca -0.00 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 61.83 3ir1 h PHE 107 Cb 0.51 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.68 3ir1 h PHE 107 CO 0.10 0.92 0.00 1.57 -2.02 0.00 0.00 178.31 178.88 3ir1 h LYS 108 N 1.08 0.00 0.04 1.11 2.10 -1.48 0.11 116.57 119.52 3ir1 h LYS 108 Ca 0.23 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.88 3ir1 h LYS 108 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 3ir1 h LYS 108 CO -0.01 0.00 -0.02 -0.22 -2.00 0.00 0.00 179.45 177.20 3ir1 h LYS 109 N 0.00 -0.05 -0.99 0.07 3.64 -1.41 0.35 116.57 118.18 3ir1 h LYS 109 Ca 0.00 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.55 3ir1 h LYS 109 Cb 0.80 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.54 3ir1 h LYS 109 CO 0.00 0.57 0.62 1.49 -2.27 0.00 0.00 179.45 179.86 3ir1 h GLU 110 N -0.94 0.80 -0.21 1.90 4.81 -1.14 -2.22 114.58 117.58 3ir1 h GLU 110 Ca -0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3ir1 h GLU 110 Cb 0.64 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3ir1 h GLU 110 CO 0.01 0.53 0.00 0.72 -0.73 0.00 0.00 179.01 179.54 3ir1 n HIS 111 N -4.68 0.26 -3.76 0.92 8.25 0.02 -5.01 115.22 111.22 3ir1 n HIS 111 Ca 0.21 -0.17 -0.29 0.00 -0.26 0.00 0.00 57.72 57.21 3ir1 n HIS 111 Cb 0.50 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.63 3ir1 n HIS 111 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3ir1 n ASN 112 N 1.08 -3.52 -4.60 0.41 4.05 0.11 -4.97 115.26 107.82 3ir1 n ASN 112 Ca 0.14 -1.00 -0.34 0.00 0.45 0.00 0.00 54.58 53.82 3ir1 n ASN 112 Cb 0.49 -3.34 -0.11 0.00 1.23 0.00 0.00 39.78 38.05 3ir1 n ASN 112 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3ir1 s LEU 113 N -6.64 3.36 -1.28 1.20 1.43 -0.46 -5.03 118.68 111.26 3ir1 s LEU 113 Ca 0.30 0.02 -0.08 0.00 -1.03 0.00 0.00 54.13 53.34 3ir1 s LEU 113 Cb -0.11 -1.77 0.16 0.00 0.03 0.00 0.00 46.19 44.51 3ir1 s LEU 113 CO 0.87 0.32 2.01 -0.67 0.23 0.00 0.00 176.35 179.11 3ir1 n ASP 114 N 2.52 6.04 -4.52 2.29 2.03 -1.26 -4.84 116.55 118.81 3ir1 n ASP 114 Ca -0.18 -3.14 -0.25 0.00 0.52 0.00 0.00 54.79 51.74 3ir1 n ASP 114 Cb 0.53 -1.43 -0.10 0.00 -0.72 0.00 0.00 41.12 39.39 3ir1 n ASP 114 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3ir1 s ILE 115 N -0.24 2.26 0.08 5.18 -4.36 -1.26 -1.81 121.20 121.05 3ir1 s ILE 115 Ca 0.43 -2.24 -0.17 0.00 -0.26 0.00 0.00 60.65 58.41 3ir1 s ILE 115 Cb 0.12 -2.57 0.03 0.00 1.25 0.00 0.00 42.46 41.30 3ir1 s ILE 115 CO -0.02 -0.25 0.40 0.28 0.24 0.00 0.00 174.94 175.59 3ir1 s THR 116 N -2.61 0.06 0.57 8.37 -1.32 0.27 -4.82 115.64 116.17 3ir1 s THR 116 Ca 0.32 -0.52 -0.14 0.00 -1.21 0.00 0.00 61.69 60.13 3ir1 s THR 116 Cb 0.01 -1.05 -0.06 0.00 -1.51 0.00 0.00 72.50 69.90 3ir1 s THR 116 CO 0.16 -0.29 1.01 -1.83 -2.21 0.00 0.00 174.62 171.46 3ir1 s GLU 117 N -3.04 3.71 0.04 7.08 1.03 -1.26 -1.51 118.70 124.75 3ir1 s GLU 117 Ca -0.02 0.92 0.00 0.00 0.03 0.00 0.00 54.97 55.90 3ir1 s GLU 117 Cb 0.00 -2.10 0.00 0.00 -0.80 0.00 0.00 34.13 31.24 3ir1 s GLU 117 CO -0.06 -0.47 0.00 0.28 -1.33 0.00 0.00 175.26 173.67 3ir1 n VAL 118 N -2.08 0.38 -4.08 1.83 0.31 -0.65 -4.90 118.33 109.13 3ir1 n VAL 118 Ca 0.07 0.12 -0.07 0.00 -0.01 0.00 0.00 64.34 64.45 3ir1 n VAL 118 Cb 0.54 -1.09 -0.10 0.00 -0.91 0.00 0.00 33.84 32.28 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 -1.34 0.49 0.41 3.52 -0.12 -1.26 -4.96 117.98 114.72 3ir1 s PHE 119 Ca 0.00 -0.99 -0.05 0.00 -0.05 0.00 0.00 56.93 55.83 3ir1 s PHE 119 Cb 0.00 -0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 41.98 3ir1 s PHE 119 CO 0.00 -0.35 0.70 -0.65 -0.05 0.00 0.00 175.22 174.87 3ir1 s GLN 120 N -3.59 3.59 0.15 1.99 -0.21 -1.26 -0.90 119.66 119.43 3ir1 s GLN 120 Ca 0.04 0.13 0.04 0.00 0.02 0.00 0.00 55.36 55.59 3ir1 s GLN 120 Cb 0.06 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.55 3ir1 s GLN 120 CO -0.09 -0.04 -0.10 0.14 -2.12 0.00 0.00 175.29 173.08 3ir1 s VAL 121 N -2.49 1.13 0.23 1.09 -7.23 -0.45 -4.78 120.40 107.90 3ir1 s VAL 121 Ca 0.46 -2.05 -0.31 0.00 -1.81 0.00 0.00 61.98 58.27 3ir1 s VAL 121 Cb -0.10 -1.85 -0.11 0.00 0.56 0.00 0.00 36.38 34.88 3ir1 s VAL 121 CO 0.38 -0.75 1.65 -2.84 -0.31 0.00 0.00 175.10 173.23 3ir1 s PRO 122 N -3.76 4.14 0.01 4.82 0.02 -1.26 -4.26 135.00 134.72 3ir1 s PRO 122 Ca 0.17 2.54 0.02 0.00 0.02 0.00 0.00 61.00 63.75 3ir1 s PRO 122 Cb 0.03 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.46 3ir1 s PRO 122 CO 0.00 -0.68 -0.07 -0.08 -0.33 0.00 0.00 177.00 175.84 3ir1 s THR 123 N 0.78 0.57 -0.07 0.99 -1.32 -0.37 -4.92 115.64 111.31 3ir1 s THR 123 Ca 0.70 -0.54 -0.30 0.00 -1.21 0.00 0.00 61.69 60.34 3ir1 s THR 123 Cb -0.48 -0.52 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 3ir1 s THR 123 CO 0.37 0.00 1.40 0.00 -2.21 0.00 0.00 174.62 174.18 3ir1 s ALA 124 N -0.51 3.61 0.84 11.08 0.00 -1.26 -0.63 121.76 134.88 3ir1 s ALA 124 Ca -0.01 0.74 -0.12 0.00 0.00 0.00 0.00 51.96 52.58 3ir1 s ALA 124 Cb -0.05 -3.63 0.10 0.00 0.00 0.00 0.00 23.12 19.54 3ir1 s ALA 124 CO 0.00 -1.10 1.17 -1.25 0.00 0.00 0.00 175.76 174.58 3ir1 s PRO 125 N 3.12 1.49 0.29 0.00 0.04 -1.26 -3.72 135.00 134.96 3ir1 s PRO 125 Ca 0.63 1.61 -0.28 0.00 0.04 0.00 0.00 61.00 63.00 3ir1 s PRO 125 Cb -0.28 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 3ir1 s PRO 125 CO 0.23 -2.29 0.95 -1.17 0.04 0.00 0.00 177.00 174.76 3ir1 s LEU 126 N -6.05 4.47 0.04 -3.56 2.96 -1.26 -3.43 118.68 111.85 3ir1 s LEU 126 Ca 0.69 1.91 -0.05 0.00 -0.22 0.00 0.00 54.13 56.46 3ir1 s LEU 126 Cb -0.25 -3.84 -0.01 0.00 0.50 0.00 0.00 46.19 42.59 3ir1 s LEU 126 CO 0.54 0.00 0.09 -0.83 -1.32 0.00 0.00 176.35 174.83 3ir1 s GLY 127 N -1.40 0.19 -0.35 7.98 0.00 -1.14 -1.69 107.32 110.92 3ir1 s GLY 127 Ca 0.46 -0.61 -0.12 0.00 0.00 0.00 0.00 44.72 44.45 3ir1 s GLY 127 CO 0.28 -0.75 0.22 -2.27 0.00 0.00 0.00 173.10 170.59 3ir1 s LEU 128 N -2.23 4.56 0.31 0.66 1.98 0.09 -1.21 118.68 122.83 3ir1 s LEU 128 Ca -0.03 -0.63 0.07 0.00 -2.89 0.00 0.00 54.13 50.65 3ir1 s LEU 128 Cb -0.00 -2.09 -0.03 0.00 0.66 0.00 0.00 46.19 44.73 3ir1 s LEU 128 CO -0.05 -0.29 0.27 -0.31 -1.89 0.00 0.00 176.35 174.08 3ir1 s TYR 129 N 1.66 2.98 0.25 5.38 2.02 0.15 -0.05 117.35 129.74 3ir1 s TYR 129 Ca 0.05 -0.24 -0.30 0.00 -0.37 0.00 0.00 57.07 56.21 3ir1 s TYR 129 Cb -0.18 -1.68 -0.09 0.00 -0.40 0.00 0.00 41.96 39.60 3ir1 s TYR 129 CO 0.09 0.28 1.31 -2.14 -1.57 0.00 0.00 175.55 173.51 3ir1 s PRO 130 N -3.96 4.39 0.00 -1.71 0.02 -1.26 -1.43 135.00 131.04 3ir1 s PRO 130 Ca 0.39 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.51 3ir1 s PRO 130 Cb -0.07 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3ir1 s PRO 130 CO 0.26 -0.22 0.00 0.41 -0.33 0.00 0.00 177.00 177.13 3ir1 n GLY 131 N 1.85 1.18 0.12 0.52 0.00 0.25 -4.67 105.19 104.44 3ir1 n GLY 131 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -6.27 1.61 1.57 0.50 -3.44 116.57 110.54 3ir1 h LYS 132 Ca 0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 3ir1 h LYS 132 Cb 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.13 3ir1 h LYS 132 CO 0.00 0.00 -0.71 -0.51 -0.57 0.00 0.00 179.45 177.66 3ir1 s LEU 133 N -4.75 3.14 0.00 2.94 1.43 -0.67 -4.99 118.68 115.78 3ir1 s LEU 133 Ca 0.10 -0.13 0.16 0.00 -1.03 0.00 0.00 54.13 53.23 3ir1 s LEU 133 Cb 0.11 -1.78 0.09 0.00 0.03 0.00 0.00 46.19 44.65 3ir1 s LEU 133 CO 0.61 0.30 0.96 0.29 0.23 0.00 0.00 176.35 178.73 3ir1 n LYS 134 N 1.69 1.36 -3.81 1.70 4.01 -1.26 -4.48 118.16 117.37 3ir1 n LYS 134 Ca -0.16 -1.27 -0.12 0.00 -0.51 0.00 0.00 58.31 56.24 3ir1 n LYS 134 Cb 0.53 -1.29 -0.10 0.00 -0.51 0.00 0.00 35.03 33.66 3ir1 n LYS 134 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3ir1 s SER 135 N -1.46 -0.14 0.52 4.39 0.15 -1.26 -4.89 113.70 111.01 3ir1 s SER 135 Ca 0.17 0.11 0.20 0.00 0.70 0.00 0.00 55.95 57.13 3ir1 s SER 135 Cb 0.13 0.34 1.36 0.00 -1.71 0.00 0.00 66.02 66.14 3ir1 s SER 135 CO 0.25 -0.32 2.14 -0.07 1.20 0.00 0.00 173.24 176.44 3ir1 h LEU 136 N 4.55 0.00 -1.95 3.45 3.38 -1.94 -1.45 115.31 121.35 3ir1 h LEU 136 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3ir1 h LEU 136 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 3ir1 h LEU 136 CO 0.39 0.04 0.04 -0.08 0.09 0.00 0.00 178.44 178.92 3ir1 h GLU 137 N 0.00 0.07 -0.00 1.13 4.22 -2.02 -2.42 114.58 115.55 3ir1 h GLU 137 Ca -0.00 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3ir1 h GLU 137 Cb 0.08 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3ir1 h GLU 137 CO 0.01 0.04 -0.01 0.39 -2.18 0.00 0.00 179.01 177.26 3ir1 n GLU 138 N -4.53 0.74 -1.72 1.92 1.02 -0.54 -4.90 120.64 112.62 3ir1 n GLU 138 Ca -0.02 -0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.63 3ir1 n GLU 138 Cb 0.10 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.01 3ir1 n GLU 138 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 3ir1 n VAL 139 N -1.07 1.82 -4.43 2.62 3.14 -0.91 -5.00 118.33 114.50 3ir1 n VAL 139 Ca 0.18 -0.46 -0.21 0.00 -2.96 0.00 0.00 64.34 60.90 3ir1 n VAL 139 Cb 0.20 -1.71 -0.11 0.00 -1.06 0.00 0.00 33.84 31.16 3ir1 n VAL 139 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3ir1 s LYS 140 N -1.70 1.59 0.15 1.45 -0.14 -1.26 -5.05 119.74 114.78 3ir1 s LYS 140 Ca 0.57 -1.86 -0.31 0.00 -1.36 0.00 0.00 55.97 53.00 3ir1 s LYS 140 Cb -0.54 -0.85 -0.09 0.00 -1.68 0.00 0.00 37.83 34.66 3ir1 s LYS 140 CO 0.60 -0.15 1.51 0.34 -0.76 0.00 0.00 175.35 176.90 3ir1 s ASP 141 N -3.45 6.66 0.00 2.83 -1.08 -1.26 -1.61 116.67 118.76 3ir1 s ASP 141 Ca 0.35 2.52 0.00 0.00 -0.52 0.00 0.00 52.55 54.90 3ir1 s ASP 141 Cb 0.08 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 3ir1 s ASP 141 CO 0.14 -0.77 0.00 0.61 0.52 0.00 0.00 175.17 175.67 3ir1 n GLY 142 N 3.68 0.76 3.68 2.66 0.00 -0.63 -5.02 105.19 110.32 3ir1 n GLY 142 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 1.35 -4.83 1.61 7.64 -0.64 -4.38 113.62 114.37 3ir1 n SER 143 Ca 0.00 0.73 -0.35 0.00 1.01 0.00 0.00 58.87 60.26 3ir1 n SER 143 Cb 0.00 -1.50 -0.07 0.00 -1.01 0.00 0.00 64.21 61.64 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 -1.67 5.09 -0.07 0.44 -4.23 -1.26 -0.74 115.64 113.20 3ir1 s THR 144 Ca 0.78 -0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 61.16 3ir1 s THR 144 Cb -0.35 -3.27 0.03 0.00 1.34 0.00 0.00 72.50 70.24 3ir1 s THR 144 CO 0.45 0.48 0.03 -0.69 -0.54 0.00 0.00 174.62 174.35 3ir1 s VAL 145 N -1.12 0.18 0.31 2.29 1.01 -0.48 -2.09 120.40 120.50 3ir1 s VAL 145 Ca 0.20 0.19 -0.22 0.00 0.00 0.00 0.00 61.98 62.15 3ir1 s VAL 145 Cb -0.12 -0.42 -0.09 0.00 0.00 0.00 0.00 36.38 35.75 3ir1 s VAL 145 CO 0.10 0.18 0.85 -0.94 0.00 0.00 0.00 175.10 175.29 3ir1 s SER 146 N 2.05 7.13 0.05 3.32 1.04 -0.58 -0.08 113.70 126.63 3ir1 s SER 146 Ca 0.05 1.62 -0.14 0.00 0.48 0.00 0.00 55.95 57.95 3ir1 s SER 146 Cb -0.13 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 63.52 3ir1 s SER 146 CO -0.05 -0.09 0.32 0.00 0.98 0.00 0.00 173.24 174.40 3ir1 s ALA 147 N -1.71 -0.72 0.54 5.32 0.00 0.38 -1.51 121.76 124.07 3ir1 s ALA 147 Ca 0.50 0.02 -0.22 0.00 0.00 0.00 0.00 51.96 52.26 3ir1 s ALA 147 Cb -0.16 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 3ir1 s ALA 147 CO 0.21 -0.43 1.32 -2.14 0.00 0.00 0.00 175.76 174.71 3ir1 s PRO 148 N -2.65 3.20 0.00 0.00 0.02 -1.26 -0.37 135.00 133.94 3ir1 s PRO 148 Ca -0.04 2.13 0.28 0.00 0.02 0.00 0.00 61.00 63.39 3ir1 s PRO 148 Cb -0.00 -2.24 1.06 0.00 0.02 0.00 0.00 34.50 33.33 3ir1 s PRO 148 CO -0.04 -1.11 1.75 0.27 -0.33 0.00 0.00 177.00 177.54 3ir1 n ASN 149 N -1.02 1.36 -4.81 2.53 0.23 0.59 -4.14 115.26 110.00 3ir1 n ASN 149 Ca 0.10 -1.40 -0.38 0.00 -0.53 0.00 0.00 54.58 52.38 3ir1 n ASN 149 Cb 0.46 0.01 -0.06 0.00 -2.08 0.00 0.00 39.78 38.11 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 -2.06 7.05 0.20 0.53 -4.77 -1.26 -4.94 116.67 111.42 3ir1 s ASP 150 Ca 0.37 1.28 -0.19 0.00 -3.30 0.00 0.00 52.55 50.70 3ir1 s ASP 150 Cb 0.21 -2.37 0.15 0.00 -1.09 0.00 0.00 42.92 39.83 3ir1 s ASP 150 CO 0.36 0.22 1.59 1.55 0.70 0.00 0.00 175.17 179.58 3ir1 h PRO 151 N 4.23 -0.12 -0.41 2.11 0.13 -1.98 0.86 132.00 136.81 3ir1 h PRO 151 Ca -0.49 0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 3ir1 h PRO 151 Cb 1.21 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 3ir1 h PRO 151 CO 0.64 -0.08 -0.03 0.66 -0.23 0.00 0.00 178.00 178.96 3ir1 h SER 152 N -0.13 0.66 0.78 1.44 4.64 -1.89 -2.19 113.55 116.85 3ir1 h SER 152 Ca 0.26 -0.16 -0.25 0.00 -0.47 0.00 0.00 61.79 61.17 3ir1 h SER 152 Cb 0.55 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 3ir1 h SER 152 CO -0.71 0.75 -1.23 0.78 -0.87 0.00 0.00 176.83 175.55 3ir1 h ASN 153 N 0.64 0.12 -0.58 4.97 2.35 -1.87 -3.27 115.58 117.94 3ir1 h ASN 153 Ca 0.12 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 3ir1 h ASN 153 Cb 0.45 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 3ir1 h ASN 153 CO 0.02 1.12 0.14 0.15 -1.65 0.00 0.00 177.43 177.20 3ir1 h PHE 154 N 0.02 1.01 -0.73 1.19 3.57 -0.70 -2.26 116.94 119.04 3ir1 h PHE 154 Ca -0.11 -0.11 0.05 0.00 3.53 0.00 0.00 57.97 61.33 3ir1 h PHE 154 Cb 1.88 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 40.28 3ir1 h PHE 154 CO 0.02 0.84 0.48 0.00 -2.23 0.00 0.00 178.31 177.42 3ir1 h ALA 155 N 1.22 1.63 -0.39 2.41 0.00 -1.45 -1.30 119.26 121.39 3ir1 h ALA 155 Ca 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3ir1 h ALA 155 Cb 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3ir1 h ALA 155 CO 0.00 0.28 0.07 0.00 0.00 0.00 0.00 179.25 179.59 3ir1 h ARG 156 N 0.83 0.58 -0.21 0.00 3.08 -1.46 -1.72 114.38 115.47 3ir1 h ARG 156 Ca 0.30 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 3ir1 h ARG 156 Cb 0.15 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3ir1 h ARG 156 CO -0.09 0.55 -0.23 0.28 -1.07 0.00 0.00 179.97 179.41 3ir1 h VAL 157 N 0.56 1.33 -0.81 2.04 2.07 -1.16 -1.48 116.25 118.79 3ir1 h VAL 157 Ca 0.13 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.26 3ir1 h VAL 157 Cb 0.26 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 3ir1 h VAL 157 CO 0.00 0.43 0.54 -0.07 0.02 0.00 0.00 177.57 178.49 3ir1 h LEU 158 N 0.21 0.93 -1.02 2.57 3.38 -1.17 0.19 115.31 120.41 3ir1 h LEU 158 Ca 0.03 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3ir1 h LEU 158 Cb 0.78 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3ir1 h LEU 158 CO 0.06 0.67 0.14 0.58 0.09 0.00 0.00 178.44 179.98 3ir1 h VAL 159 N 1.10 1.23 -0.29 1.22 2.07 -1.24 -1.06 116.25 119.27 3ir1 h VAL 159 Ca 0.30 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.91 3ir1 h VAL 159 Cb -0.13 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3ir1 h VAL 159 CO -0.06 0.30 -0.21 -0.03 0.02 0.00 0.00 177.57 177.58 3ir1 h MET 160 N 0.82 0.65 -0.28 1.57 1.85 -0.27 -1.67 114.93 117.59 3ir1 h MET 160 Ca 0.18 -0.32 -0.04 0.00 -0.61 0.00 0.00 59.70 58.91 3ir1 h MET 160 Cb 0.29 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.30 3ir1 h MET 160 CO -0.00 0.92 -0.02 -0.07 -0.40 0.00 0.00 176.91 177.34 3ir1 h LEU 161 N 0.39 0.39 -0.26 3.39 3.38 -0.40 -0.46 115.31 121.73 3ir1 h LEU 161 Ca 0.05 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3ir1 h LEU 161 Cb 0.76 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3ir1 h LEU 161 CO 0.06 0.47 -0.14 -0.78 0.09 0.00 0.00 178.44 178.14 3ir1 h ASP 162 N 0.41 0.58 -0.40 -0.43 3.58 -1.04 0.04 116.42 119.16 3ir1 h ASP 162 Ca 0.09 -0.41 -0.03 0.00 0.42 0.00 0.00 57.03 57.10 3ir1 h ASP 162 Cb 0.30 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 3ir1 h ASP 162 CO 0.01 0.87 0.17 -0.33 -2.88 0.00 0.00 179.24 177.08 3ir1 h GLU 163 N 0.29 0.64 0.00 0.28 5.08 -0.63 -0.10 114.58 120.15 3ir1 h GLU 163 Ca 0.06 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3ir1 h GLU 163 Cb 0.65 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3ir1 h GLU 163 CO 0.04 0.54 0.00 1.28 -1.00 0.00 0.00 179.01 179.87 3ir1 n LEU 164 N -4.36 0.41 0.00 1.33 4.77 -0.24 -4.90 117.00 114.01 3ir1 n LEU 164 Ca 0.03 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 3ir1 n LEU 164 Cb 0.15 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3ir1 n LEU 164 CO 0.38 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 3ir1 n GLY 165 N 1.01 0.55 0.22 -0.72 0.00 -0.05 -4.92 105.19 101.28 3ir1 n GLY 165 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.98 1.61 4.06 -1.24 -3.45 115.95 112.95 3ir1 h TRP 166 Ca 0.00 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.83 3ir1 h TRP 166 Cb 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.03 3ir1 h TRP 166 CO 0.00 0.12 -0.37 0.96 -3.56 0.00 0.00 178.44 175.58 3ir1 s ILE 167 N -3.29 0.07 -0.20 1.49 -4.36 -1.13 -1.48 121.20 112.30 3ir1 s ILE 167 Ca 0.05 -1.48 0.01 0.00 -0.26 0.00 0.00 60.65 58.96 3ir1 s ILE 167 Cb 0.07 -1.89 0.05 0.00 1.25 0.00 0.00 42.46 41.93 3ir1 s ILE 167 CO 0.66 -0.31 -0.09 -0.75 0.24 0.00 0.00 174.94 174.69 3ir1 s LYS 168 N -3.98 1.87 0.40 0.37 2.47 0.33 -4.07 119.74 117.12 3ir1 s LYS 168 Ca 0.19 -0.83 -0.20 0.00 -1.56 0.00 0.00 55.97 53.57 3ir1 s LYS 168 Cb 0.04 -2.40 -0.10 0.00 -1.46 0.00 0.00 37.83 33.91 3ir1 s LYS 168 CO 0.01 -0.46 0.89 -0.51 0.16 0.00 0.00 175.35 175.44 3ir1 s LEU 169 N 1.43 3.99 0.51 5.43 1.43 -1.26 0.36 118.68 130.57 3ir1 s LEU 169 Ca -0.02 1.59 -0.22 0.00 -1.03 0.00 0.00 54.13 54.45 3ir1 s LEU 169 Cb -0.17 -4.39 -0.06 0.00 0.03 0.00 0.00 46.19 41.61 3ir1 s LEU 169 CO -0.08 -0.30 1.24 -0.54 0.23 0.00 0.00 176.35 176.90 3ir1 s LYS 170 N -3.07 3.42 0.57 1.70 1.02 0.16 -4.61 119.74 118.93 3ir1 s LYS 170 Ca 0.59 1.94 -0.19 0.00 0.02 0.00 0.00 55.97 58.34 3ir1 s LYS 170 Cb -0.10 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.89 3ir1 s LYS 170 CO 0.15 -0.87 1.14 -0.51 -0.92 0.00 0.00 175.35 174.33 3ir1 s ASP 171 N -1.26 5.51 0.00 2.83 1.01 -1.26 -3.61 116.67 119.89 3ir1 s ASP 171 Ca 0.69 2.18 0.00 0.00 0.71 0.00 0.00 52.55 56.13 3ir1 s ASP 171 Cb -0.33 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.02 3ir1 s ASP 171 CO 0.39 -1.36 0.00 0.61 0.21 0.00 0.00 175.17 175.01 3ir1 n GLY 172 N 0.10 1.88 3.77 0.21 0.00 -1.26 -5.01 105.19 104.88 3ir1 n GLY 172 Ca 0.12 0.00 -0.34 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 -2.67 3.16 -0.27 -0.61 -5.25 -1.24 -4.95 121.20 109.38 3ir1 s ILE 173 Ca 0.00 0.61 -0.29 0.00 -0.99 0.00 0.00 60.65 59.98 3ir1 s ILE 173 Cb 0.00 -3.16 -0.00 0.00 2.95 0.00 0.00 42.46 42.25 3ir1 s ILE 173 CO 0.00 -0.27 1.26 0.21 -1.79 0.00 0.00 174.94 174.36 3ir1 s ASN 174 N -2.24 6.77 0.49 4.36 2.47 -1.26 -4.91 114.94 120.62 3ir1 s ASN 174 Ca 0.70 1.30 0.14 0.00 0.42 0.00 0.00 52.86 55.42 3ir1 s ASN 174 Cb -0.22 -2.54 1.16 0.00 -1.45 0.00 0.00 41.25 38.20 3ir1 s ASN 174 CO 0.36 -0.98 2.12 1.55 -3.72 0.00 0.00 177.10 176.43 3ir1 h PRO 175 N 8.88 0.12 0.00 0.43 0.13 -1.98 -2.28 132.00 137.30 3ir1 h PRO 175 Ca -0.25 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 3ir1 h PRO 175 Cb 1.09 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 3ir1 h PRO 175 CO 1.02 0.09 -0.14 -0.07 -0.23 0.00 0.00 178.00 178.67 3ir1 h LEU 176 N 0.13 0.00 -3.04 1.56 3.38 -1.93 -2.86 115.31 112.54 3ir1 h LEU 176 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ir1 h LEU 176 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ir1 h LEU 176 CO -0.01 0.14 0.00 0.35 0.09 0.00 0.00 178.44 179.02 3ir1 n THR 177 N -4.03 1.71 -1.61 0.22 -2.24 -0.97 -4.76 114.28 102.60 3ir1 n THR 177 Ca -0.02 -1.84 -0.52 0.00 -2.27 0.00 0.00 64.05 59.40 3ir1 n THR 177 Cb 0.23 -0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 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 -0.93 -0.57 -2.41 6.98 0.00 -0.90 -4.96 120.51 117.72 3ir1 n ALA 178 Ca 0.13 0.49 -0.23 0.00 0.00 0.00 0.00 53.44 53.84 3ir1 n ALA 178 Cb 0.59 -2.13 -0.08 0.00 0.00 0.00 0.00 19.45 17.83 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 0.91 2.28 0.31 0.00 1.04 -1.26 -3.88 113.70 113.10 3ir1 s SER 179 Ca 0.85 -1.73 0.03 0.00 0.48 0.00 0.00 55.95 55.58 3ir1 s SER 179 Cb -0.93 0.56 0.60 0.00 0.10 0.00 0.00 66.02 66.35 3ir1 s SER 179 CO 0.48 -1.01 1.88 0.11 0.98 0.00 0.00 173.24 175.67 3ir1 h LYS 180 N 1.94 0.92 0.00 4.02 6.56 -1.99 -0.00 116.57 128.02 3ir1 h LYS 180 Ca -0.30 -0.06 -0.00 0.00 -1.06 0.00 0.00 60.65 59.23 3ir1 h LYS 180 Cb 1.25 -0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 32.71 3ir1 h LYS 180 CO 0.46 0.61 -0.01 0.00 -2.06 0.00 0.00 179.45 178.45 3ir1 h ALA 181 N 1.54 1.22 -0.00 3.86 0.00 -1.99 -1.45 119.26 122.44 3ir1 h ALA 181 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3ir1 h ALA 181 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ir1 h ALA 181 CO -0.20 0.02 -0.00 -0.25 0.00 0.00 0.00 179.25 178.82 3ir1 n ASP 182 N -3.43 0.01 -4.62 0.00 8.00 -0.01 -4.80 116.55 111.70 3ir1 n ASP 182 Ca -0.03 -0.16 -0.43 0.00 0.71 0.00 0.00 54.79 54.89 3ir1 n ASP 182 Cb 0.11 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 40.91 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 -2.57 4.24 0.08 0.53 1.01 -0.55 -0.67 121.20 123.27 3ir1 s ILE 183 Ca 0.29 1.36 -0.19 0.00 0.00 0.00 0.00 60.65 62.11 3ir1 s ILE 183 Cb 0.20 -4.35 -0.09 0.00 0.01 0.00 0.00 42.46 38.24 3ir1 s ILE 183 CO 0.46 -0.64 1.54 0.00 0.00 0.00 0.00 174.94 176.31 3ir1 h ALA 184 N 9.09 0.30 -1.57 9.38 0.00 -0.35 -3.46 119.26 132.65 3ir1 h ALA 184 Ca -0.24 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.55 3ir1 h ALA 184 Cb 1.08 -0.09 -0.24 0.00 0.00 0.00 0.00 17.79 18.54 3ir1 h ALA 184 CO 1.06 -0.00 0.51 -1.83 0.00 0.00 0.00 179.25 178.99 3ir1 s GLU 185 N -5.11 0.56 -1.28 0.00 1.03 -0.88 -5.01 118.70 108.00 3ir1 s GLU 185 Ca -0.14 0.33 -0.15 0.00 0.03 0.00 0.00 54.97 55.04 3ir1 s GLU 185 Cb 0.07 0.27 0.12 0.00 -0.80 0.00 0.00 34.13 33.79 3ir1 s GLU 185 CO 0.73 -0.13 1.69 -1.71 -1.33 0.00 0.00 175.26 174.51 3ir1 n ASN 186 N 1.35 4.96 -0.32 0.83 2.85 -1.26 -0.51 115.26 123.15 3ir1 n ASN 186 Ca -0.11 -2.96 0.09 0.00 -0.11 0.00 0.00 54.58 51.48 3ir1 n ASN 186 Cb 0.57 -1.63 0.19 0.00 1.24 0.00 0.00 39.78 40.15 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 10.56 -0.63 -3.30 1.20 3.38 -1.86 0.22 115.31 124.88 3ir1 h LEU 187 Ca 0.40 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.64 3ir1 h LEU 187 Cb 0.82 0.50 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3ir1 h LEU 187 CO 1.44 -0.30 0.00 0.29 0.09 0.00 0.00 178.44 179.96 3ir1 n LYS 188 N -5.51 3.99 -3.99 1.13 5.02 -0.55 -4.95 118.16 113.30 3ir1 n LYS 188 Ca 0.18 -2.94 -0.26 0.00 -2.02 0.00 0.00 58.31 53.26 3ir1 n LYS 188 Cb 0.58 -1.99 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 3ir1 n LYS 188 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ir1 n ASN 189 N 0.65 -0.24 -4.76 4.39 5.03 0.79 -1.60 115.26 119.51 3ir1 n ASN 189 Ca 0.25 -1.04 -0.41 0.00 0.87 0.00 0.00 54.58 54.26 3ir1 n ASN 189 Cb 0.98 -2.90 -0.03 0.00 -1.02 0.00 0.00 39.78 36.82 3ir1 n ASN 189 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ir1 s ILE 190 N -4.00 2.90 -0.49 2.41 -1.09 -1.26 -2.29 121.20 117.37 3ir1 s ILE 190 Ca 0.01 0.87 -0.15 0.00 -2.23 0.00 0.00 60.65 59.16 3ir1 s ILE 190 Cb -0.00 -3.56 0.10 0.00 -1.58 0.00 0.00 42.46 37.42 3ir1 s ILE 190 CO 0.90 0.20 0.42 -0.54 -1.23 0.00 0.00 174.94 174.69 3ir1 s LYS 191 N -1.49 2.93 -0.14 2.79 -0.14 0.08 -4.97 119.74 118.79 3ir1 s LYS 191 Ca 0.49 -1.52 -0.27 0.00 -1.36 0.00 0.00 55.97 53.32 3ir1 s LYS 191 Cb -0.38 -4.16 -0.01 0.00 -1.68 0.00 0.00 37.83 31.59 3ir1 s LYS 191 CO 0.49 -1.15 0.89 0.42 -0.76 0.00 0.00 175.35 175.24 3ir1 s ILE 192 N 1.59 4.85 -0.44 2.17 1.01 -1.26 -1.38 121.20 127.75 3ir1 s ILE 192 Ca 0.04 1.77 -0.10 0.00 0.00 0.00 0.00 60.65 62.35 3ir1 s ILE 192 Cb -0.27 -4.19 0.08 0.00 0.01 0.00 0.00 42.46 38.09 3ir1 s ILE 192 CO 0.04 0.03 0.30 -0.69 0.00 0.00 0.00 174.94 174.62 3ir1 s VAL 193 N 2.04 4.43 -0.07 2.92 1.01 0.89 -4.93 120.40 126.69 3ir1 s VAL 193 Ca 0.42 -1.39 -0.28 0.00 0.00 0.00 0.00 61.98 60.73 3ir1 s VAL 193 Cb -0.17 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3ir1 s VAL 193 CO 0.14 -0.56 0.89 -1.61 0.00 0.00 0.00 175.10 173.96 3ir1 s GLU 194 N 1.46 4.46 0.11 2.72 2.02 -1.26 -0.47 118.70 127.75 3ir1 s GLU 194 Ca 0.04 1.22 -0.01 0.00 0.02 0.00 0.00 54.97 56.24 3ir1 s GLU 194 Cb -0.24 -3.49 -0.04 0.00 0.10 0.00 0.00 34.13 30.46 3ir1 s GLU 194 CO 0.03 -0.12 0.03 -0.51 0.02 0.00 0.00 175.26 174.70 3ir1 s LEU 195 N 1.36 2.00 0.22 1.80 1.43 0.50 -4.80 118.68 121.18 3ir1 s LEU 195 Ca 0.46 -1.15 -0.30 0.00 -1.03 0.00 0.00 54.13 52.10 3ir1 s LEU 195 Cb -0.19 0.23 -0.10 0.00 0.03 0.00 0.00 46.19 46.16 3ir1 s LEU 195 CO 0.21 -0.68 1.43 -0.70 0.23 0.00 0.00 176.35 176.84 3ir1 s GLU 196 N -4.00 4.29 0.31 1.70 2.56 -1.26 -0.30 118.70 122.00 3ir1 s GLU 196 Ca 0.20 2.25 0.01 0.00 0.00 0.00 0.00 54.97 57.42 3ir1 s GLU 196 Cb 0.07 -3.14 0.73 0.00 2.00 0.00 0.00 34.13 33.79 3ir1 s GLU 196 CO -0.01 -0.41 1.57 0.00 -0.56 0.00 0.00 175.26 175.85 3ir1 h ALA 197 N 5.46 1.13 0.00 6.30 0.00 -1.93 0.16 119.26 130.38 3ir1 h ALA 197 Ca -0.45 0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ir1 h ALA 197 Cb 1.21 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3ir1 h ALA 197 CO 0.80 -0.56 0.03 0.00 0.00 0.00 0.00 179.25 179.52 3ir1 h ALA 198 N 1.99 1.03 -0.00 0.00 0.00 -1.89 -2.16 119.26 118.22 3ir1 h ALA 198 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3ir1 h ALA 198 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ir1 h ALA 198 CO -0.94 -0.03 -0.43 1.04 0.00 0.00 0.00 179.25 178.89 3ir1 n GLN 199 N -3.06 0.40 -0.31 0.00 1.13 0.57 -4.46 117.38 111.64 3ir1 n GLN 199 Ca -0.03 -0.25 -0.04 0.00 -1.94 0.00 0.00 57.00 54.75 3ir1 n GLN 199 Cb 0.10 -1.49 0.08 0.00 0.11 0.00 0.00 30.24 29.03 3ir1 n GLN 199 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3ir1 h LEU 200 N 0.60 0.97 -0.70 1.08 3.38 -1.46 -2.24 115.31 116.93 3ir1 h LEU 200 Ca 0.00 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3ir1 h LEU 200 Cb 0.51 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3ir1 h LEU 200 CO 0.00 0.70 0.44 -0.65 0.09 0.00 0.00 178.44 179.02 3ir1 h PRO 201 N 1.14 0.84 0.00 1.13 0.11 -1.80 -1.64 132.00 131.77 3ir1 h PRO 201 Ca 0.31 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.37 3ir1 h PRO 201 Cb -0.12 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 30.80 3ir1 h PRO 201 CO -0.07 0.56 0.00 0.54 -0.21 0.00 0.00 178.00 178.82 3ir1 n ARG 202 N -4.66 0.15 0.07 1.05 1.74 -1.09 -2.73 116.66 111.19 3ir1 n ARG 202 Ca 0.07 0.27 0.12 0.00 -0.77 0.00 0.00 57.85 57.54 3ir1 n ARG 202 Cb 0.08 -1.74 0.46 0.00 -1.02 0.00 0.00 32.46 30.24 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 -2.01 0.46 0.30 0.55 3.41 -0.62 -3.50 113.62 112.21 3ir1 n SER 203 Ca 0.04 0.57 0.19 0.00 -0.26 0.00 0.00 58.87 59.41 3ir1 n SER 203 Cb 0.29 -0.69 0.97 0.00 -0.26 0.00 0.00 64.21 64.53 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 -1.55 -0.03 114.38 120.21 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 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3ir1 h ARG 204 CO 0.00 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 178.89 3ir1 h ALA 205 N 1.69 1.00 0.00 0.04 0.00 -1.83 -3.15 119.26 117.00 3ir1 h ALA 205 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ir1 h ALA 205 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ir1 h ALA 205 CO -0.00 0.00 -1.10 -0.25 0.00 0.00 0.00 179.25 177.90 3ir1 n ASP 206 N -2.83 1.64 -4.55 0.00 8.00 -0.08 -4.87 116.55 113.87 3ir1 n ASP 206 Ca 0.04 -0.31 -0.25 0.00 0.71 0.00 0.00 54.79 54.99 3ir1 n ASP 206 Cb 0.50 1.30 -0.09 0.00 -0.02 0.00 0.00 41.12 42.80 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 -2.46 2.57 0.03 2.53 -7.23 -0.87 -4.99 120.40 109.98 3ir1 s VAL 207 Ca -0.01 -2.20 -0.22 0.00 -1.81 0.00 0.00 61.98 57.74 3ir1 s VAL 207 Cb 0.08 -2.57 -0.15 0.00 0.56 0.00 0.00 36.38 34.30 3ir1 s VAL 207 CO 0.46 -0.30 1.38 0.44 -0.31 0.00 0.00 175.10 176.76 3ir1 h ASP 208 N 2.06 0.25 -4.68 4.85 3.45 -1.81 0.33 116.42 120.85 3ir1 h ASP 208 Ca -0.42 -0.42 -0.28 0.00 0.43 0.00 0.00 57.03 56.34 3ir1 h ASP 208 Cb 1.25 -0.07 -0.20 0.00 -0.56 0.00 0.00 39.33 39.76 3ir1 h ASP 208 CO 0.64 0.61 -0.73 -0.36 -1.57 0.00 0.00 179.24 177.83 3ir1 s PHE 209 N -4.53 0.79 -0.07 4.55 0.08 -0.89 -0.58 117.98 117.33 3ir1 s PHE 209 Ca -0.15 -0.57 0.01 0.00 0.12 0.00 0.00 56.93 56.34 3ir1 s PHE 209 Cb 0.05 -0.46 0.02 0.00 -0.57 0.00 0.00 43.02 42.05 3ir1 s PHE 209 CO 0.72 -0.07 -0.07 0.00 -0.10 0.00 0.00 175.22 175.70 3ir1 s ALA 210 N -1.78 0.98 -0.39 5.36 0.00 -0.52 -1.53 121.76 123.89 3ir1 s ALA 210 Ca -0.05 -0.27 -0.20 0.00 0.00 0.00 0.00 51.96 51.44 3ir1 s ALA 210 Cb -0.07 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.45 3ir1 s ALA 210 CO -0.00 -0.12 0.63 0.08 0.00 0.00 0.00 175.76 176.35 3ir1 s VAL 211 N 1.14 4.88 -0.07 0.00 1.01 -0.57 0.32 120.40 127.11 3ir1 s VAL 211 Ca -0.07 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.32 3ir1 s VAL 211 Cb -0.14 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 3ir1 s VAL 211 CO -0.01 -0.42 -0.17 -0.69 0.00 0.00 0.00 175.10 173.81 3ir1 s VAL 212 N 2.72 2.80 0.30 2.92 1.01 -0.35 -4.55 120.40 125.26 3ir1 s VAL 212 Ca 0.23 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 3ir1 s VAL 212 Cb -0.14 -2.10 -0.10 0.00 0.00 0.00 0.00 36.38 34.04 3ir1 s VAL 212 CO 0.16 0.57 1.26 0.20 0.00 0.00 0.00 175.10 177.29 3ir1 s ASN 213 N -0.32 6.91 0.19 3.32 -0.87 -1.26 -2.86 114.94 120.05 3ir1 s ASN 213 Ca 0.02 2.54 -0.21 0.00 -1.57 0.00 0.00 52.86 53.65 3ir1 s ASN 213 Cb -0.13 -2.64 0.13 0.00 -0.02 0.00 0.00 41.25 38.60 3ir1 s ASN 213 CO 0.02 -0.44 1.58 1.23 -2.57 0.00 0.00 177.10 176.92 3ir1 h GLY 214 N 3.83 -0.11 0.33 0.66 0.00 -1.64 -1.11 103.07 105.03 3ir1 h GLY 214 Ca -0.48 0.45 0.14 0.00 0.00 0.00 0.00 47.33 47.45 3ir1 h GLY 214 CO 0.68 -0.20 0.58 3.45 0.00 0.00 0.00 176.54 181.04 3ir1 h ASN 215 N -0.14 0.79 0.68 0.19 -1.07 -1.90 -1.05 115.58 113.08 3ir1 h ASN 215 Ca 0.24 0.07 -0.17 0.00 0.07 0.00 0.00 56.30 56.51 3ir1 h ASN 215 Cb 0.56 -0.08 -0.02 0.00 -2.07 0.00 0.00 38.32 36.71 3ir1 h ASN 215 CO -0.72 0.37 -0.79 1.88 0.07 0.00 0.00 177.43 178.23 3ir1 h TYR 216 N 0.84 0.12 -0.19 4.14 0.99 -1.61 -1.62 116.97 119.64 3ir1 h TYR 216 Ca 0.51 -0.06 -0.01 0.00 2.00 0.00 0.00 58.73 61.16 3ir1 h TYR 216 Cb 0.63 -0.01 -0.01 0.00 1.00 0.00 0.00 36.73 38.34 3ir1 h TYR 216 CO -0.02 0.84 0.07 0.00 -0.00 0.00 0.00 178.16 179.04 3ir1 h ALA 217 N 1.14 0.25 0.25 3.88 0.00 -0.08 -1.41 119.26 123.29 3ir1 h ALA 217 Ca -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ir1 h ALA 217 Cb 1.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3ir1 h ALA 217 CO 0.11 -0.15 -0.12 0.82 0.00 0.00 0.00 179.25 179.92 3ir1 h ILE 218 N 0.14 0.81 0.00 0.00 1.08 -1.26 0.17 117.51 118.45 3ir1 h ILE 218 Ca 0.06 -0.47 -0.00 0.00 -0.39 0.00 0.00 64.86 64.06 3ir1 h ILE 218 Cb 0.20 1.07 -0.00 0.00 -3.07 0.00 0.00 36.82 35.03 3ir1 h ILE 218 CO -0.00 0.10 -0.00 0.77 -0.69 0.00 0.00 178.15 178.33 3ir1 h SER 219 N -0.58 0.00 -0.46 1.72 4.64 -1.29 -1.46 113.55 116.12 3ir1 h SER 219 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3ir1 h SER 219 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3ir1 h SER 219 CO 0.06 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.48 3ir1 n SER 220 N -3.58 2.95 0.00 4.97 3.41 -0.54 -4.93 113.62 115.91 3ir1 n SER 220 Ca -0.03 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 3ir1 n SER 220 Cb 0.08 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 1.39 0.69 3.89 5.00 0.00 -0.55 -5.06 105.19 110.56 3ir1 n GLY 221 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.67 2.50 -0.03 1.61 -1.94 0.58 -5.00 119.30 116.35 3ir1 s MET 222 Ca 0.00 0.27 0.06 0.00 -1.71 0.00 0.00 55.69 54.31 3ir1 s MET 222 Cb 0.00 -2.02 -0.01 0.00 2.01 0.00 0.00 34.83 34.81 3ir1 s MET 222 CO 0.00 -1.23 -0.22 0.15 -0.01 0.00 0.00 175.02 173.70 3ir1 s LYS 223 N -5.41 2.03 0.42 2.03 1.02 -1.26 -4.28 119.74 114.28 3ir1 s LYS 223 Ca 0.59 -0.80 0.14 0.00 0.02 0.00 0.00 55.97 55.92 3ir1 s LYS 223 Cb -0.11 -1.84 1.01 0.00 -0.52 0.00 0.00 37.83 36.37 3ir1 s LYS 223 CO 0.50 0.41 1.93 -0.07 -0.92 0.00 0.00 175.35 177.21 3ir1 h LEU 224 N 5.83 0.42 -0.01 3.17 3.38 -1.97 -0.13 115.31 126.00 3ir1 h LEU 224 Ca -0.37 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3ir1 h LEU 224 Cb 1.15 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3ir1 h LEU 224 CO 0.47 0.23 0.00 0.35 0.09 0.00 0.00 178.44 179.58 3ir1 n THR 225 N -4.48 1.23 0.52 0.22 -2.24 -1.26 -1.93 114.28 106.34 3ir1 n THR 225 Ca 0.13 0.31 0.13 0.00 -2.27 0.00 0.00 64.05 62.35 3ir1 n THR 225 Cb 0.47 -1.12 0.31 0.00 -2.10 0.00 0.00 70.33 67.89 3ir1 n THR 225 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3ir1 h GLU 226 N 0.00 0.00 -6.84 -0.78 5.08 -1.43 -3.46 114.58 107.15 3ir1 h GLU 226 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3ir1 h GLU 226 Cb 0.19 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.51 3ir1 h GLU 226 CO 0.00 0.00 0.72 0.00 -1.00 0.00 0.00 179.01 178.73 3ir1 s ALA 227 N -3.14 3.57 -0.25 3.43 0.00 -0.81 -4.47 121.76 120.09 3ir1 s ALA 227 Ca 0.09 1.35 0.19 0.00 0.00 0.00 0.00 51.96 53.59 3ir1 s ALA 227 Cb 0.11 -3.54 0.09 0.00 0.00 0.00 0.00 23.12 19.79 3ir1 s ALA 227 CO 0.64 -0.76 1.29 -0.07 0.00 0.00 0.00 175.76 176.86 3ir1 h LEU 228 N 4.00 0.00 -7.11 0.00 3.38 -0.80 -3.46 115.31 111.33 3ir1 h LEU 228 Ca -0.48 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 3ir1 h LEU 228 Cb 1.22 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.74 3ir1 h LEU 228 CO 0.70 0.26 -0.12 0.12 0.09 0.00 0.00 178.44 179.48 3ir1 s PHE 229 N -3.12 -0.84 -0.07 1.13 5.36 -1.17 -4.98 117.98 114.29 3ir1 s PHE 229 Ca 0.03 1.73 0.03 0.00 -0.96 0.00 0.00 56.93 57.76 3ir1 s PHE 229 Cb 0.07 0.45 -0.02 0.00 -0.34 0.00 0.00 43.02 43.19 3ir1 s PHE 229 CO 0.75 -0.44 -0.14 -0.65 -1.46 0.00 0.00 175.22 173.28 3ir1 s GLN 230 N 1.47 2.71 -0.02 10.12 -0.21 -1.26 -0.74 119.66 131.73 3ir1 s GLN 230 Ca -0.09 -0.70 -0.33 0.00 0.02 0.00 0.00 55.36 54.26 3ir1 s GLN 230 Cb -0.06 -2.43 -0.11 0.00 1.00 0.00 0.00 33.01 31.40 3ir1 s GLN 230 CO -0.16 0.53 1.86 -1.91 -2.12 0.00 0.00 175.29 173.49 3ir1 n GLU 231 N 2.59 2.35 0.20 2.91 2.13 -0.68 -4.88 120.64 125.27 3ir1 n GLU 231 Ca -0.17 0.86 0.10 0.00 0.66 0.00 0.00 57.16 58.60 3ir1 n GLU 231 Cb 0.52 -2.72 0.13 0.00 0.27 0.00 0.00 31.44 29.65 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 9.01 0.00 -7.19 5.31 0.13 -1.98 -3.45 132.00 133.84 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 1.26 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.55 3ir1 h PRO 232 CO 0.94 0.12 0.38 0.45 -0.23 0.00 0.00 178.00 179.65 3ir1 s SER 233 N -6.25 4.14 0.00 1.44 0.15 -1.26 -4.96 113.70 106.96 3ir1 s SER 233 Ca 0.06 2.32 0.02 0.00 0.70 0.00 0.00 55.95 59.05 3ir1 s SER 233 Cb 0.06 -2.58 0.05 0.00 -1.71 0.00 0.00 66.02 61.83 3ir1 s SER 233 CO 0.69 -2.30 1.02 0.49 1.20 0.00 0.00 173.24 174.34 3ir1 n PHE 234 N -2.85 0.07 0.66 3.44 3.72 -1.26 -4.65 117.46 116.60 3ir1 n PHE 234 Ca 0.13 -0.47 0.09 0.00 -0.05 0.00 0.00 57.45 57.14 3ir1 n PHE 234 Cb 0.50 -0.04 0.39 0.00 -0.94 0.00 0.00 39.48 39.39 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 -0.31 1.84 -0.64 4.37 0.00 -1.26 -3.18 120.51 121.33 3ir1 n ALA 235 Ca 0.02 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.47 3ir1 n ALA 235 Cb 0.27 -1.28 0.22 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.45 0.76 -1.83 0.00 4.01 -1.26 -4.68 117.16 112.72 3ir1 n TYR 236 Ca 0.05 -0.71 -0.42 0.00 -0.16 0.00 0.00 57.90 56.66 3ir1 n TYR 236 Cb 0.19 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 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 -2.04 2.29 0.60 -0.72 1.01 -1.19 -4.65 120.40 115.70 3ir1 s VAL 237 Ca 0.34 0.21 -0.18 0.00 0.00 0.00 0.00 61.98 62.36 3ir1 s VAL 237 Cb 0.25 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 3ir1 s VAL 237 CO 0.12 0.02 1.15 0.20 0.00 0.00 0.00 175.10 176.59 3ir1 s ASN 238 N 1.08 5.33 0.14 3.32 0.02 -1.26 -4.52 114.94 119.04 3ir1 s ASN 238 Ca 0.71 2.21 0.10 0.00 -1.02 0.00 0.00 52.86 54.86 3ir1 s ASN 238 Cb -0.47 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.18 3ir1 s ASN 238 CO 0.33 -1.49 -0.25 0.26 0.02 0.00 0.00 177.10 175.98 3ir1 s TRP 239 N -1.87 2.19 0.55 2.20 0.52 0.20 -1.35 118.94 121.39 3ir1 s TRP 239 Ca 0.73 -0.39 -0.08 0.00 0.02 0.00 0.00 56.10 56.38 3ir1 s TRP 239 Cb -0.25 -1.17 -0.04 0.00 -1.15 0.00 0.00 33.47 30.86 3ir1 s TRP 239 CO 0.33 0.34 0.90 -1.54 0.02 0.00 0.00 176.95 177.01 3ir1 s SER 240 N -2.17 6.25 0.03 2.95 1.04 -0.07 -4.20 113.70 117.53 3ir1 s SER 240 Ca 0.14 1.17 0.00 0.00 0.48 0.00 0.00 55.95 57.74 3ir1 s SER 240 Cb -0.09 -2.36 -0.02 0.00 0.10 0.00 0.00 66.02 63.65 3ir1 s SER 240 CO 0.06 -0.72 -0.04 0.00 0.98 0.00 0.00 173.24 173.52 3ir1 s ALA 241 N -2.95 0.28 0.19 5.32 0.00 0.44 -1.64 121.76 123.40 3ir1 s ALA 241 Ca 0.51 -0.71 -0.09 0.00 0.00 0.00 0.00 51.96 51.68 3ir1 s ALA 241 Cb -0.11 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 3ir1 s ALA 241 CO 0.49 -0.15 0.31 0.14 0.00 0.00 0.00 175.76 176.55 3ir1 s VAL 242 N -1.72 0.04 0.37 0.00 -7.23 -0.57 -1.40 120.40 109.89 3ir1 s VAL 242 Ca -0.12 -1.45 -0.26 0.00 -1.81 0.00 0.00 61.98 58.34 3ir1 s VAL 242 Cb -0.08 -1.98 -0.09 0.00 0.56 0.00 0.00 36.38 34.79 3ir1 s VAL 242 CO -0.02 -0.20 1.11 -0.54 -0.31 0.00 0.00 175.10 175.15 3ir1 s LYS 243 N -4.00 4.26 0.35 4.82 1.02 -1.26 -0.56 119.74 124.37 3ir1 s LYS 243 Ca 0.21 1.73 0.12 0.00 0.02 0.00 0.00 55.97 58.05 3ir1 s LYS 243 Cb 0.03 -2.78 0.91 0.00 -0.52 0.00 0.00 37.83 35.47 3ir1 s LYS 243 CO 0.03 -0.11 1.79 1.15 -0.92 0.00 0.00 175.35 177.29 3ir1 h THR 244 N 2.51 0.65 -0.01 2.17 2.02 -1.67 0.23 112.91 118.81 3ir1 h THR 244 Ca -0.48 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.50 3ir1 h THR 244 Cb 1.22 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3ir1 h THR 244 CO 0.64 0.11 0.02 0.00 0.37 0.00 0.00 175.52 176.65 3ir1 h ALA 245 N 1.64 1.30 -0.01 6.16 0.00 -1.91 -1.32 119.26 125.13 3ir1 h ALA 245 Ca 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3ir1 h ALA 245 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ir1 h ALA 245 CO -0.32 -0.02 -0.21 -0.25 0.00 0.00 0.00 179.25 178.45 3ir1 n ASP 246 N -3.49 1.32 -0.25 0.00 8.00 0.07 -4.49 116.55 117.72 3ir1 n ASP 246 Ca -0.03 -1.14 0.04 0.00 0.71 0.00 0.00 54.79 54.37 3ir1 n ASP 246 Cb 0.09 0.13 0.17 0.00 -0.02 0.00 0.00 41.12 41.50 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 1.75 0.40 -0.73 -1.24 1.63 -1.28 -2.31 116.57 114.79 3ir1 h LYS 247 Ca 0.00 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.61 3ir1 h LYS 247 Cb 0.55 -0.09 -0.10 0.00 -0.60 0.00 0.00 32.23 31.99 3ir1 h LYS 247 CO 0.00 0.27 0.21 -0.40 -3.45 0.00 0.00 179.45 176.07 3ir1 n ASP 248 N -5.02 4.95 -4.85 4.20 5.68 -1.26 -4.89 116.55 115.35 3ir1 n ASP 248 Ca 0.13 -3.10 -0.32 0.00 -0.50 0.00 0.00 54.79 51.00 3ir1 n ASP 248 Cb 0.40 -0.73 -0.02 0.00 -1.14 0.00 0.00 41.12 39.63 3ir1 n ASP 248 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3ir1 s SER 249 N -0.89 6.49 0.06 -1.12 1.04 -0.87 -4.99 113.70 113.42 3ir1 s SER 249 Ca 0.53 1.52 -0.18 0.00 0.48 0.00 0.00 55.95 58.29 3ir1 s SER 249 Cb 0.42 -2.49 -0.13 0.00 0.10 0.00 0.00 66.02 63.91 3ir1 s SER 249 CO 0.14 -0.68 1.35 -0.61 0.98 0.00 0.00 173.24 174.41 3ir1 h GLN 250 N 0.50 0.49 -0.99 4.02 5.75 -1.94 -2.35 115.11 120.59 3ir1 h GLN 250 Ca -0.46 -0.28 0.06 0.00 -0.15 0.00 0.00 58.65 57.82 3ir1 h GLN 250 Cb 1.19 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.69 3ir1 h GLN 250 CO 0.62 0.87 0.64 0.11 -2.65 0.00 0.00 178.83 178.42 3ir1 h TRP 251 N 0.15 1.18 -0.16 3.99 5.08 -1.95 -0.65 115.95 123.60 3ir1 h TRP 251 Ca 0.02 0.03 -0.12 0.00 1.08 0.00 0.00 58.89 59.90 3ir1 h TRP 251 Cb 0.80 -0.39 -0.01 0.00 -3.00 0.00 0.00 29.16 26.56 3ir1 h TRP 251 CO 0.09 0.63 -0.43 1.25 -1.28 0.00 0.00 178.44 178.70 3ir1 h LEU 252 N 1.18 0.41 -0.81 0.11 5.85 -1.84 -0.55 115.31 119.66 3ir1 h LEU 252 Ca 0.42 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 3ir1 h LEU 252 Cb 0.13 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3ir1 h LEU 252 CO -0.15 0.79 0.16 0.50 -0.34 0.00 0.00 178.44 179.39 3ir1 h LYS 253 N 0.32 1.05 -0.29 1.25 3.64 -0.66 0.12 116.57 122.00 3ir1 h LYS 253 Ca 0.02 -0.24 -0.17 0.00 -1.27 0.00 0.00 60.65 58.99 3ir1 h LYS 253 Cb 0.89 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3ir1 h LYS 253 CO 0.07 0.93 -0.49 -0.44 -2.27 0.00 0.00 179.45 177.26 3ir1 h ASP 254 N 1.00 0.86 -0.61 4.20 3.32 -0.81 -2.46 116.42 121.92 3ir1 h ASP 254 Ca 0.21 -0.44 -0.05 0.00 0.02 0.00 0.00 57.03 56.77 3ir1 h ASP 254 Cb 0.36 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3ir1 h ASP 254 CO 0.00 1.20 0.19 0.58 -1.72 0.00 0.00 179.24 179.50 3ir1 h VAL 255 N 0.62 1.24 -0.41 -1.35 2.07 -0.75 -1.99 116.25 115.68 3ir1 h VAL 255 Ca 0.03 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3ir1 h VAL 255 Cb 1.07 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3ir1 h VAL 255 CO 0.11 0.32 0.27 0.74 0.02 0.00 0.00 177.57 179.02 3ir1 h THR 256 N 0.87 1.11 0.00 2.57 2.02 -0.67 -2.43 112.91 116.38 3ir1 h THR 256 Ca 0.20 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 3ir1 h THR 256 Cb 0.29 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3ir1 h THR 256 CO -0.01 0.10 -0.37 1.05 0.37 0.00 0.00 175.52 176.67 3ir1 h GLU 257 N 0.55 0.00 0.00 6.66 4.11 -1.30 -2.44 114.58 122.17 3ir1 h GLU 257 Ca 0.15 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.53 3ir1 h GLU 257 Cb -0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3ir1 h GLU 257 CO -0.03 0.37 -0.24 0.00 0.07 0.00 0.00 179.01 179.17 3ir1 h ALA 258 N 1.63 1.39 -0.01 1.06 0.00 -0.90 -0.46 119.26 121.98 3ir1 h ALA 258 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3ir1 h ALA 258 Cb 0.82 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3ir1 h ALA 258 CO 0.05 0.30 -0.05 0.66 0.00 0.00 0.00 179.25 180.21 3ir1 n TYR 259 N -3.95 0.00 -0.95 0.00 4.01 -0.93 -4.05 117.16 111.28 3ir1 n TYR 259 Ca -0.02 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.74 3ir1 n TYR 259 Cb 0.32 -0.02 0.02 0.00 -0.31 0.00 0.00 39.34 39.35 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 0.02 0.86 -4.83 7.72 3.02 -0.58 -4.85 115.26 116.62 3ir1 n ASN 260 Ca 0.18 -1.77 -0.31 0.00 -0.03 0.00 0.00 54.58 52.65 3ir1 n ASN 260 Cb 0.35 -0.10 0.03 0.00 -0.61 0.00 0.00 39.78 39.45 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 -0.88 5.75 0.33 6.41 1.04 -0.29 -4.88 113.70 121.17 3ir1 s SER 261 Ca 0.05 1.57 0.01 0.00 0.48 0.00 0.00 55.95 58.06 3ir1 s SER 261 Cb 0.04 -2.49 0.55 0.00 0.10 0.00 0.00 66.02 64.22 3ir1 s SER 261 CO 0.00 -1.20 1.93 0.44 0.98 0.00 0.00 173.24 175.40 3ir1 h ASP 262 N -0.39 0.71 -0.59 7.02 3.32 -1.95 -1.10 116.42 123.43 3ir1 h ASP 262 Ca -0.44 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 56.48 3ir1 h ASP 262 Cb 1.20 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 3ir1 h ASP 262 CO 0.59 0.61 0.17 0.00 -1.72 0.00 0.00 179.24 178.89 3ir1 h ALA 263 N 1.50 1.12 -0.15 3.45 0.00 -1.96 0.04 119.26 123.27 3ir1 h ALA 263 Ca 0.20 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3ir1 h ALA 263 Cb 0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ir1 h ALA 263 CO -0.03 0.60 -0.13 0.35 0.00 0.00 0.00 179.25 180.04 3ir1 h PHE 264 N 0.93 0.41 -0.91 0.00 3.57 -1.62 -1.30 116.94 118.03 3ir1 h PHE 264 Ca 0.20 -0.12 0.05 0.00 3.53 0.00 0.00 57.97 61.63 3ir1 h PHE 264 Cb 0.30 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 3ir1 h PHE 264 CO 0.02 0.73 0.60 0.87 -2.23 0.00 0.00 178.31 178.30 3ir1 h LYS 265 N -0.02 1.06 -0.39 1.11 1.57 -1.02 0.56 116.57 119.43 3ir1 h LYS 265 Ca 0.02 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3ir1 h LYS 265 Cb 0.66 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3ir1 h LYS 265 CO 0.03 0.70 0.01 0.00 -0.57 0.00 0.00 179.45 179.63 3ir1 h ALA 266 N 1.48 0.53 -0.34 3.86 0.00 -0.90 -0.94 119.26 122.95 3ir1 h ALA 266 Ca 0.38 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ir1 h ALA 266 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3ir1 h ALA 266 CO -0.13 0.29 0.20 -0.92 0.00 0.00 0.00 179.25 178.69 3ir1 h TYR 267 N 0.51 0.46 -0.22 0.00 3.20 -0.06 -2.57 116.97 118.29 3ir1 h TYR 267 Ca 0.11 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 3ir1 h TYR 267 Cb 0.45 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3ir1 h TYR 267 CO 0.03 0.35 0.13 0.00 -1.64 0.00 0.00 178.16 177.03 3ir1 h ALA 268 N 1.07 0.28 -0.45 1.82 0.00 0.21 0.35 119.26 122.55 3ir1 h ALA 268 Ca 0.12 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3ir1 h ALA 268 Cb 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3ir1 h ALA 268 CO -0.02 -0.20 0.30 1.25 0.00 0.00 0.00 179.25 180.58 3ir1 h HIS 269 N 0.26 0.35 0.09 0.00 -0.00 -1.03 0.28 115.15 115.10 3ir1 h HIS 269 Ca 0.08 0.01 -0.32 0.00 -0.00 0.00 0.00 60.37 60.14 3ir1 h HIS 269 Cb 0.04 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 3ir1 h HIS 269 CO -0.04 0.19 -1.74 -0.22 -0.00 0.00 0.00 177.93 176.11 3ir1 h LYS 270 N 0.35 0.19 0.07 5.26 3.64 -1.14 -3.39 116.57 121.55 3ir1 h LYS 270 Ca 0.20 -0.33 -0.25 0.00 -1.27 0.00 0.00 60.65 59.01 3ir1 h LYS 270 Cb 0.35 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3ir1 h LYS 270 CO -0.05 1.16 -1.10 -0.09 -2.27 0.00 0.00 179.45 177.09 3ir1 h ARG 271 N -0.27 0.25 -2.14 1.90 1.12 -0.19 -3.40 114.38 111.65 3ir1 h ARG 271 Ca -0.39 -0.36 -0.59 0.00 -1.11 0.00 0.00 59.98 57.53 3ir1 h ARG 271 Cb 1.80 0.13 -0.41 0.00 -0.01 0.00 0.00 29.97 31.48 3ir1 h ARG 271 CO -0.00 1.13 -0.75 1.19 -3.11 0.00 0.00 179.97 178.43 3ir1 n PHE 272 N -3.57 2.50 -2.44 2.20 3.72 0.99 -5.05 117.46 115.80 3ir1 n PHE 272 Ca -0.06 -3.98 -0.39 0.00 -0.05 0.00 0.00 57.45 52.97 3ir1 n PHE 272 Cb 0.95 -0.50 -0.04 0.00 -0.94 0.00 0.00 39.48 38.96 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 -2.18 4.42 0.00 -1.08 2.12 -1.26 -3.18 118.70 117.54 3ir1 s GLU 273 Ca 0.39 1.76 0.00 0.00 0.36 0.00 0.00 54.97 57.48 3ir1 s GLU 273 Cb 0.17 -2.95 0.00 0.00 0.26 0.00 0.00 34.13 31.61 3ir1 s GLU 273 CO -0.05 0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 3ir1 n GLY 274 N 0.88 0.89 3.87 -1.50 0.00 -1.26 -5.06 105.19 103.01 3ir1 n GLY 274 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.53 3.43 -0.06 1.61 4.12 -1.19 -4.55 117.35 118.18 3ir1 s TYR 275 Ca 0.00 1.01 -0.24 0.00 0.02 0.00 0.00 57.07 57.87 3ir1 s TYR 275 Cb 0.00 -2.39 -0.04 0.00 -1.52 0.00 0.00 41.96 38.01 3ir1 s TYR 275 CO 0.00 0.05 0.71 0.15 0.02 0.00 0.00 175.55 176.48 3ir1 s LYS 276 N -3.39 4.44 0.49 -0.62 1.02 0.20 -4.81 119.74 117.07 3ir1 s LYS 276 Ca 0.50 0.90 -0.08 0.00 0.02 0.00 0.00 55.97 57.31 3ir1 s LYS 276 Cb -0.10 -3.44 -0.05 0.00 -0.52 0.00 0.00 37.83 33.72 3ir1 s LYS 276 CO 0.25 0.09 0.84 -1.12 -0.92 0.00 0.00 175.35 174.49 3ir1 s SER 277 N 0.71 6.34 0.35 2.83 0.01 -1.26 -1.23 113.70 121.44 3ir1 s SER 277 Ca 0.38 1.10 -0.29 0.00 1.31 0.00 0.00 55.95 58.45 3ir1 s SER 277 Cb -0.18 -2.32 -0.12 0.00 0.21 0.00 0.00 66.02 63.62 3ir1 s SER 277 CO 0.19 -0.59 1.46 -2.65 0.41 0.00 0.00 173.24 172.05 3ir1 n PRO 278 N -2.08 2.52 -0.04 12.44 -0.02 -1.26 -4.86 135.00 141.70 3ir1 n PRO 278 Ca 0.02 0.89 0.12 0.00 -2.02 0.00 0.00 63.50 62.51 3ir1 n PRO 278 Cb 0.55 -2.59 0.54 0.00 -0.02 0.00 0.00 33.50 31.97 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 3.23 2.07 0.00 3.55 0.00 -1.95 -1.64 119.26 124.52 3ir1 h ALA 279 Ca -0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3ir1 h ALA 279 Cb 1.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ir1 h ALA 279 CO 0.67 -0.19 -0.05 0.00 0.00 0.00 0.00 179.25 179.67 3ir1 h ALA 280 N 1.73 1.40 0.00 0.00 0.00 -1.98 -3.54 119.26 116.86 3ir1 h ALA 280 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ir1 h ALA 280 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3ir1 h ALA 280 CO -0.06 0.07 0.00 0.91 0.00 0.00 0.00 179.25 180.17