#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ir8 s ILE 4 N 0.00 3.56 0.71 1.34 1.01 -1.26 -4.83 121.20 121.73 3ir8 s ILE 4 Ca 0.00 -1.28 -0.09 0.00 0.00 0.00 0.00 60.65 59.28 3ir8 s ILE 4 Cb 0.00 -3.06 0.04 0.00 0.01 0.00 0.00 42.46 39.45 3ir8 s ILE 4 CO 0.00 -0.21 1.05 0.00 0.00 0.00 0.00 174.94 175.78 3ir8 s ALA 5 N 1.35 3.00 0.44 9.38 0.00 -1.26 -4.98 121.76 129.69 3ir8 s ALA 5 Ca -0.02 -0.68 0.10 0.00 0.00 0.00 0.00 51.96 51.36 3ir8 s ALA 5 Cb -0.20 -2.78 0.98 0.00 0.00 0.00 0.00 23.12 21.12 3ir8 s ALA 5 CO 0.01 -1.26 2.07 0.87 0.00 0.00 0.00 175.76 177.45 3ir8 h LYS 6 N -0.64 0.31 -5.18 0.00 6.56 -1.98 -3.40 116.57 112.24 3ir8 h LYS 6 Ca -0.45 -0.03 -0.67 0.00 -1.06 0.00 0.00 60.65 58.44 3ir8 h LYS 6 Cb 1.29 -0.07 -0.32 0.00 -0.57 0.00 0.00 32.23 32.56 3ir8 h LYS 6 CO 0.63 0.24 -0.84 -0.65 -2.06 0.00 0.00 179.45 176.77 3ir8 s GLN 7 N -5.23 3.10 0.19 3.15 1.11 -1.26 -3.85 119.66 116.88 3ir8 s GLN 7 Ca -0.07 -0.80 0.04 0.00 0.01 0.00 0.00 55.36 54.54 3ir8 s GLN 7 Cb 0.17 -2.54 -0.05 0.00 -1.01 0.00 0.00 33.01 29.59 3ir8 s GLN 7 CO 0.71 -0.02 -0.06 -1.64 0.01 0.00 0.00 175.29 174.29 3ir8 s MET 8 N 0.87 1.20 0.46 2.91 1.00 -0.55 -5.01 119.30 120.18 3ir8 s MET 8 Ca -0.05 -1.56 0.03 0.00 0.00 0.00 0.00 55.69 54.11 3ir8 s MET 8 Cb -0.15 -0.66 -0.04 0.00 0.00 0.00 0.00 34.83 33.98 3ir8 s MET 8 CO -0.02 0.01 0.01 0.95 0.00 0.00 0.00 175.02 175.97 3ir8 s THR 9 N -3.34 1.42 0.18 2.05 -4.23 -0.05 -1.42 115.64 110.25 3ir8 s THR 9 Ca 0.22 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.57 3ir8 s THR 9 Cb 0.04 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.41 3ir8 s THR 9 CO 0.05 0.00 0.46 -0.72 -0.54 0.00 0.00 174.62 173.87 3ir8 s TYR 10 N -2.86 -0.06 -0.05 3.99 -0.85 -0.28 -1.07 117.35 116.18 3ir8 s TYR 10 Ca 0.18 -0.28 0.05 0.00 -0.52 0.00 0.00 57.07 56.50 3ir8 s TYR 10 Cb 0.05 0.30 -0.01 0.00 0.38 0.00 0.00 41.96 42.68 3ir8 s TYR 10 CO 0.09 -0.84 -0.21 0.15 -1.52 0.00 0.00 175.55 173.22 3ir8 s LYS 11 N -3.87 2.19 -0.04 -3.49 -0.14 -0.17 -0.66 119.74 113.57 3ir8 s LYS 11 Ca 0.09 -0.77 0.07 0.00 -1.36 0.00 0.00 55.97 54.00 3ir8 s LYS 11 Cb 0.00 -1.88 -0.01 0.00 -1.68 0.00 0.00 37.83 34.26 3ir8 s LYS 11 CO -0.04 0.32 -0.24 0.54 -0.76 0.00 0.00 175.35 175.17 3ir8 s VAL 12 N -0.08 1.94 -0.10 3.17 0.11 -0.51 -0.90 120.40 124.03 3ir8 s VAL 12 Ca -0.03 -1.03 0.02 0.00 -2.93 0.00 0.00 61.98 58.01 3ir8 s VAL 12 Cb -0.13 -1.63 0.01 0.00 -1.53 0.00 0.00 36.38 33.11 3ir8 s VAL 12 CO 0.03 0.55 -0.16 -0.31 -3.33 0.00 0.00 175.10 171.87 3ir8 s TYR 13 N -0.37 1.98 -0.02 1.54 2.02 0.05 -0.39 117.35 122.16 3ir8 s TYR 13 Ca 0.03 -0.89 0.05 0.00 -0.37 0.00 0.00 57.07 55.90 3ir8 s TYR 13 Cb -0.11 -1.41 -0.01 0.00 -0.40 0.00 0.00 41.96 40.02 3ir8 s TYR 13 CO 0.01 -0.44 -0.18 1.41 -1.57 0.00 0.00 175.55 174.78 3ir8 s MET 14 N 0.83 1.54 0.13 -0.62 -2.45 0.04 -0.78 119.30 117.99 3ir8 s MET 14 Ca -0.10 -0.65 0.06 0.00 -1.25 0.00 0.00 55.69 53.75 3ir8 s MET 14 Cb -0.16 -1.46 -0.04 0.00 1.25 0.00 0.00 34.83 34.42 3ir8 s MET 14 CO 0.01 0.38 -0.14 -1.54 1.05 0.00 0.00 175.02 174.78 3ir8 s SER 15 N -0.37 2.06 0.02 1.11 1.04 -0.56 -0.99 113.70 116.01 3ir8 s SER 15 Ca 0.06 -0.85 -0.29 0.00 0.48 0.00 0.00 55.95 55.35 3ir8 s SER 15 Cb -0.08 -0.07 0.11 0.00 0.10 0.00 0.00 66.02 66.08 3ir8 s SER 15 CO -0.00 -0.16 1.22 -0.83 0.98 0.00 0.00 173.24 174.45 3ir8 s GLY 16 N -2.59 -0.35 -0.04 7.32 0.00 -0.71 -1.78 107.32 109.16 3ir8 s GLY 16 Ca 0.11 0.51 0.01 0.00 0.00 0.00 0.00 44.72 45.35 3ir8 s GLY 16 CO 0.03 0.48 -0.03 -1.59 0.00 0.00 0.00 173.10 171.98 3ir8 s THR 17 N -2.56 0.47 -0.08 0.90 2.01 -0.64 -1.15 115.64 114.59 3ir8 s THR 17 Ca 0.15 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.08 3ir8 s THR 17 Cb 0.03 -0.52 0.02 0.00 0.01 0.00 0.00 72.50 72.05 3ir8 s THR 17 CO -0.02 0.22 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.35 3ir8 s VAL 18 N 1.02 0.95 -1.65 3.82 1.01 -0.56 -0.43 120.40 124.54 3ir8 s VAL 18 Ca -0.10 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 3ir8 s VAL 18 Cb -0.14 -0.93 0.13 0.00 0.00 0.00 0.00 36.38 35.44 3ir8 s VAL 18 CO -0.01 0.33 0.77 0.59 0.00 0.00 0.00 175.10 176.79 3ir8 n ASN 19 N 4.42 -3.15 0.00 3.32 4.13 0.07 -1.25 115.26 122.80 3ir8 n ASN 19 Ca -0.18 -0.99 0.00 0.00 1.68 0.00 0.00 54.58 55.10 3ir8 n ASN 19 Cb 0.51 -2.91 0.00 0.00 -1.54 0.00 0.00 39.78 35.84 3ir8 n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ir8 n GLY 20 N -1.50 1.37 3.61 7.41 0.00 -1.26 -5.02 105.19 109.79 3ir8 n GLY 20 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3ir8 n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ir8 s HIS 21 N -3.45 3.25 0.14 1.61 5.04 -0.38 -5.05 115.29 116.45 3ir8 s HIS 21 Ca 0.00 0.46 -0.20 0.00 -1.54 0.00 0.00 55.06 53.77 3ir8 s HIS 21 Cb 0.00 -2.61 -0.07 0.00 0.04 0.00 0.00 32.58 29.94 3ir8 s HIS 21 CO 0.00 -0.25 0.65 -0.47 -2.34 0.00 0.00 174.74 172.34 3ir8 s TYR 22 N 2.13 3.78 0.20 3.88 5.04 -1.26 -1.50 117.35 129.61 3ir8 s TYR 22 Ca 0.16 1.37 -0.15 0.00 -2.44 0.00 0.00 57.07 56.01 3ir8 s TYR 22 Cb -0.16 -2.58 0.01 0.00 0.35 0.00 0.00 41.96 39.59 3ir8 s TYR 22 CO 0.10 0.50 0.46 -0.59 -1.34 0.00 0.00 175.55 174.68 3ir8 s PHE 23 N -1.25 0.09 0.01 4.97 -0.12 -0.30 -4.34 117.98 117.03 3ir8 s PHE 23 Ca 0.35 -0.44 0.02 0.00 -0.05 0.00 0.00 56.93 56.81 3ir8 s PHE 23 Cb -0.19 0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 42.44 3ir8 s PHE 23 CO 0.21 -0.89 -0.07 -1.21 -0.05 0.00 0.00 175.22 173.21 3ir8 s GLU 24 N -3.92 0.53 -0.01 1.99 2.02 -0.49 -1.73 118.70 117.09 3ir8 s GLU 24 Ca 0.13 -0.43 0.03 0.00 0.02 0.00 0.00 54.97 54.73 3ir8 s GLU 24 Cb -0.00 -0.45 -0.01 0.00 0.10 0.00 0.00 34.13 33.77 3ir8 s GLU 24 CO 0.00 0.11 -0.09 0.08 0.02 0.00 0.00 175.26 175.38 3ir8 s VAL 25 N -0.58 0.75 -0.04 2.63 1.01 -0.16 -1.55 120.40 122.46 3ir8 s VAL 25 Ca -0.02 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.62 3ir8 s VAL 25 Cb -0.05 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 3ir8 s VAL 25 CO 0.00 0.21 -0.22 -0.70 0.00 0.00 0.00 175.10 174.39 3ir8 s GLU 26 N -0.20 2.04 0.06 2.72 2.12 -0.19 -0.78 118.70 124.47 3ir8 s GLU 26 Ca 0.03 -0.80 0.03 0.00 0.36 0.00 0.00 54.97 54.60 3ir8 s GLU 26 Cb -0.04 -1.85 -0.03 0.00 0.26 0.00 0.00 34.13 32.47 3ir8 s GLU 26 CO -0.00 0.40 -0.09 0.20 -0.54 0.00 0.00 175.26 175.23 3ir8 s GLY 27 N -0.30 0.66 -0.13 -1.50 0.00 0.48 -0.72 107.32 105.82 3ir8 s GLY 27 Ca 0.02 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.81 3ir8 s GLY 27 CO 0.01 -1.01 -0.18 0.99 0.00 0.00 0.00 173.10 172.91 3ir8 s ASP 28 N -1.93 2.75 0.36 1.64 1.11 -0.22 -1.42 116.67 118.96 3ir8 s ASP 28 Ca -0.03 -0.51 0.09 0.00 0.18 0.00 0.00 52.55 52.27 3ir8 s ASP 28 Cb -0.07 -1.25 -0.07 0.00 1.07 0.00 0.00 42.92 42.60 3ir8 s ASP 28 CO 0.00 0.04 -0.06 -0.83 1.18 0.00 0.00 175.17 175.50 3ir8 s GLY 29 N 0.95 2.25 0.09 0.21 0.00 0.16 -0.86 107.32 110.13 3ir8 s GLY 29 Ca -0.06 -2.14 -0.24 0.00 0.00 0.00 0.00 44.72 42.28 3ir8 s GLY 29 CO -0.02 -2.03 0.59 -1.59 0.00 0.00 0.00 173.10 170.04 3ir8 s LYS 30 N -3.65 1.16 0.00 2.90 -2.85 -0.31 -1.12 119.74 115.87 3ir8 s LYS 30 Ca 0.33 -0.28 0.00 0.00 -1.00 0.00 0.00 55.97 55.02 3ir8 s LYS 30 Cb 0.05 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 3ir8 s LYS 30 CO 0.17 -0.46 0.00 0.41 0.10 0.00 0.00 175.35 175.57 3ir8 n GLY 31 N 0.08 -1.34 3.07 0.59 0.00 -0.50 -1.21 105.19 105.87 3ir8 n GLY 31 Ca -0.18 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 3ir8 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir8 s LYS 32 N -1.34 2.01 0.47 1.61 1.02 -0.13 -1.49 119.74 121.89 3ir8 s LYS 32 Ca 0.00 -2.11 0.12 0.00 0.02 0.00 0.00 55.97 54.00 3ir8 s LYS 32 Cb 0.00 -3.50 1.08 0.00 -0.52 0.00 0.00 37.83 34.90 3ir8 s LYS 32 CO 0.00 -1.07 2.11 -1.35 -0.92 0.00 0.00 175.35 174.11 3ir8 h PRO 33 N 7.49 0.25 -0.00 -1.68 0.11 -1.79 -0.84 132.00 135.55 3ir8 h PRO 33 Ca -0.08 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3ir8 h PRO 33 Cb 1.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3ir8 h PRO 33 CO 0.66 0.17 -0.10 0.66 -0.21 0.00 0.00 178.00 179.17 3ir8 n TYR 34 N -4.51 0.00 0.70 0.65 4.01 -1.26 -3.24 117.16 113.51 3ir8 n TYR 34 Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.81 3ir8 n TYR 34 Cb 0.08 -0.21 -0.07 0.00 -0.31 0.00 0.00 39.34 38.83 3ir8 n TYR 34 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3ir8 n GLU 35 N -1.03 2.04 -1.43 -0.72 -0.58 -0.38 -4.69 120.64 113.85 3ir8 n GLU 35 Ca 0.14 -0.13 -0.02 0.00 -0.42 0.00 0.00 57.16 56.73 3ir8 n GLU 35 Cb 0.28 -1.21 -0.01 0.00 -0.57 0.00 0.00 31.44 29.93 3ir8 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ir8 n GLY 36 N 1.32 0.44 3.40 0.62 0.00 -0.86 -4.59 105.19 105.52 3ir8 n GLY 36 Ca 0.03 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 3ir8 n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ir8 s GLU 37 N -2.91 2.65 0.15 1.61 2.02 -1.14 -1.12 118.70 119.97 3ir8 s GLU 37 Ca 0.00 -0.75 -0.23 0.00 0.02 0.00 0.00 54.97 54.00 3ir8 s GLU 37 Cb 0.00 -2.36 0.07 0.00 0.10 0.00 0.00 34.13 31.94 3ir8 s GLU 37 CO 0.00 0.49 0.64 1.14 0.02 0.00 0.00 175.26 177.56 3ir8 s GLN 38 N -0.41 1.27 0.05 1.61 -2.07 -0.65 -0.96 119.66 118.51 3ir8 s GLN 38 Ca 0.04 -0.49 -0.03 0.00 -1.82 0.00 0.00 55.36 53.06 3ir8 s GLN 38 Cb -0.12 0.57 -0.03 0.00 -1.09 0.00 0.00 33.01 32.34 3ir8 s GLN 38 CO 0.02 -0.56 0.02 0.95 -1.32 0.00 0.00 175.29 174.40 3ir8 s THR 39 N -3.69 0.18 -0.04 3.63 -4.23 -0.35 -0.78 115.64 110.36 3ir8 s THR 39 Ca 0.02 -1.47 -0.14 0.00 -1.18 0.00 0.00 61.69 58.92 3ir8 s THR 39 Cb -0.01 -1.21 0.02 0.00 1.34 0.00 0.00 72.50 72.64 3ir8 s THR 39 CO -0.11 -0.81 0.31 0.54 -0.54 0.00 0.00 174.62 174.01 3ir8 s VAL 40 N -3.34 0.05 -0.18 2.29 0.11 -0.51 -1.17 120.40 117.66 3ir8 s VAL 40 Ca 0.01 -0.37 -0.02 0.00 -2.93 0.00 0.00 61.98 58.67 3ir8 s VAL 40 Cb 0.03 -0.58 -0.01 0.00 -1.53 0.00 0.00 36.38 34.30 3ir8 s VAL 40 CO -0.08 -0.21 -0.10 -0.54 -3.33 0.00 0.00 175.10 170.84 3ir8 s LYS 41 N -1.00 3.33 0.03 1.54 1.02 -0.04 -1.39 119.74 123.23 3ir8 s LYS 41 Ca -0.11 -0.68 0.06 0.00 0.02 0.00 0.00 55.97 55.26 3ir8 s LYS 41 Cb -0.05 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 3ir8 s LYS 41 CO 0.03 -0.03 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.79 3ir8 s LEU 42 N 0.98 2.83 -0.08 3.17 1.43 0.87 -1.06 118.68 126.82 3ir8 s LEU 42 Ca -0.01 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3ir8 s LEU 42 Cb -0.15 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.44 3ir8 s LEU 42 CO -0.01 0.26 -0.13 -0.89 0.23 0.00 0.00 176.35 175.81 3ir8 s THR 43 N -0.97 1.23 -0.43 5.49 2.01 0.11 -1.85 115.64 121.22 3ir8 s THR 43 Ca 0.16 -0.50 -0.29 0.00 0.31 0.00 0.00 61.69 61.37 3ir8 s THR 43 Cb -0.11 -1.14 0.02 0.00 0.01 0.00 0.00 72.50 71.28 3ir8 s THR 43 CO 0.07 0.38 1.28 -0.69 -0.69 0.00 0.00 174.62 174.97 3ir8 s VAL 44 N 0.90 4.06 -0.44 3.82 1.01 0.39 -1.02 120.40 129.12 3ir8 s VAL 44 Ca -0.10 1.10 0.23 0.00 0.00 0.00 0.00 61.98 63.21 3ir8 s VAL 44 Cb -0.15 -4.38 -0.08 0.00 0.00 0.00 0.00 36.38 31.77 3ir8 s VAL 44 CO 0.01 -0.84 1.02 0.35 0.00 0.00 0.00 175.10 175.63 3ir8 n THR 45 N 6.89 0.31 -3.77 3.92 -2.24 -0.59 -4.78 114.28 114.02 3ir8 n THR 45 Ca 0.14 -0.37 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 3ir8 n THR 45 Cb 0.48 -0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.58 3ir8 n THR 45 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3ir8 s LYS 46 N -3.28 0.43 0.00 -0.78 2.20 -1.14 -4.93 119.74 112.25 3ir8 s LYS 46 Ca 0.02 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 3ir8 s LYS 46 Cb 0.13 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.65 3ir8 s LYS 46 CO 0.80 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 176.13 3ir8 n GLY 47 N 2.57 0.70 3.85 5.54 0.00 -1.26 -1.40 105.19 115.20 3ir8 n GLY 47 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 3ir8 n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ir8 s GLY 48 N -1.92 2.03 0.37 -0.02 0.00 -1.26 -3.85 107.32 102.66 3ir8 s GLY 48 Ca 0.00 0.10 -0.25 0.00 0.00 0.00 0.00 44.72 44.57 3ir8 s GLY 48 CO 0.00 0.36 1.05 2.56 0.00 0.00 0.00 173.10 177.07 3ir8 s PRO 49 N -4.08 4.29 0.28 2.90 0.04 -1.26 -5.11 135.00 132.07 3ir8 s PRO 49 Ca 0.57 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.86 3ir8 s PRO 49 Cb -0.10 -2.68 -0.10 0.00 0.04 0.00 0.00 34.50 31.66 3ir8 s PRO 49 CO 0.32 -0.03 1.23 -0.51 0.04 0.00 0.00 177.00 178.05 3ir8 s LEU 50 N -2.37 4.47 -0.10 -3.56 1.43 -1.25 -4.91 118.68 112.39 3ir8 s LEU 50 Ca 0.55 2.47 0.05 0.00 -1.03 0.00 0.00 54.13 56.17 3ir8 s LEU 50 Cb -0.23 -3.63 0.34 0.00 0.03 0.00 0.00 46.19 42.69 3ir8 s LEU 50 CO 0.30 -0.40 1.04 -0.81 0.23 0.00 0.00 176.35 176.71 3ir8 n PRO 51 N 1.40 2.55 -3.97 1.29 -0.04 -1.26 -4.88 135.00 130.09 3ir8 n PRO 51 Ca 0.01 -1.30 -0.09 0.00 -0.04 0.00 0.00 63.50 62.08 3ir8 n PRO 51 Cb 0.43 -1.80 -0.07 0.00 -0.04 0.00 0.00 33.50 32.02 3ir8 n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3ir8 s PHE 52 N -1.71 0.41 0.10 0.54 -0.71 -1.26 -4.67 117.98 110.68 3ir8 s PHE 52 Ca 0.23 -0.78 -0.31 0.00 -1.04 0.00 0.00 56.93 55.03 3ir8 s PHE 52 Cb 0.17 -0.09 -0.09 0.00 -1.21 0.00 0.00 43.02 41.81 3ir8 s PHE 52 CO 0.06 -0.69 1.67 0.00 -1.34 0.00 0.00 175.22 174.92 3ir8 s ALA 53 N -3.97 3.72 0.45 1.99 0.00 0.02 -4.88 121.76 119.10 3ir8 s ALA 53 Ca 0.17 1.28 0.27 0.00 0.00 0.00 0.00 51.96 53.68 3ir8 s ALA 53 Cb 0.04 -3.70 1.31 0.00 0.00 0.00 0.00 23.12 20.77 3ir8 s ALA 53 CO -0.01 -1.07 1.75 2.35 0.00 0.00 0.00 175.76 178.78 3ir8 h TRP 54 N 8.11 0.42 0.00 0.00 2.91 -1.96 -2.63 115.95 122.80 3ir8 h TRP 54 Ca -0.43 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.60 3ir8 h TRP 54 Cb 1.20 -0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 29.74 3ir8 h TRP 54 CO 0.76 -0.00 -0.00 -0.44 -1.03 0.00 0.00 178.44 177.73 3ir8 h ASP 55 N 0.22 0.00 1.01 2.65 3.32 -1.95 0.19 116.42 121.86 3ir8 h ASP 55 Ca 0.63 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.68 3ir8 h ASP 55 Cb 1.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.51 3ir8 h ASP 55 CO -0.22 0.00 0.00 0.16 -1.72 0.00 0.00 179.24 177.46 3ir8 h ILE 56 N 0.00 0.00 0.00 0.35 3.07 -1.87 -2.86 117.51 116.21 3ir8 h ILE 56 Ca -0.00 -0.45 0.00 0.00 1.55 0.00 0.00 64.86 65.96 3ir8 h ILE 56 Cb 0.00 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 37.93 3ir8 h ILE 56 CO 0.00 0.00 -1.52 0.18 -1.05 0.00 0.00 178.15 175.76 3ir8 n LEU 57 N -2.80 0.39 -0.31 0.16 4.77 0.64 -4.58 117.00 115.28 3ir8 n LEU 57 Ca 0.01 0.13 -0.02 0.00 -0.03 0.00 0.00 56.01 56.11 3ir8 n LEU 57 Cb 0.30 -0.03 0.15 0.00 -2.33 0.00 0.00 43.42 41.51 3ir8 n LEU 57 CO 0.25 -0.07 1.25 0.77 -1.33 0.00 0.00 177.39 178.26 3ir8 h SER 58 N 0.00 1.04 0.00 -1.43 4.64 -1.21 -0.14 113.55 116.45 3ir8 h SER 58 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3ir8 h SER 58 Cb 0.98 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3ir8 h SER 58 CO 0.00 0.78 0.00 -2.65 -0.87 0.00 0.00 176.83 174.09 3ir8 n PRO 59 N -4.38 0.83 -0.55 4.77 -0.02 -1.26 -2.63 135.00 131.75 3ir8 n PRO 59 Ca 0.10 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.66 3ir8 n PRO 59 Cb 0.04 -1.48 0.31 0.00 -0.02 0.00 0.00 33.50 32.34 3ir8 n PRO 59 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3ir8 n GLN 60 N -0.98 3.59 -2.12 -0.52 1.13 -0.07 -4.82 117.38 113.60 3ir8 n GLN 60 Ca 0.19 -2.81 -0.28 0.00 -1.94 0.00 0.00 57.00 52.16 3ir8 n GLN 60 Cb 0.09 -1.87 0.02 0.00 0.11 0.00 0.00 30.24 28.59 3ir8 n GLN 60 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3ir8 n LEU 61 N 0.38 5.38 0.00 1.08 4.77 -1.08 -4.95 117.00 122.58 3ir8 n LEU 61 Ca 0.23 -4.89 0.00 0.00 -0.03 0.00 0.00 56.01 51.31 3ir8 n LEU 61 Cb 0.89 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3ir8 n LEU 61 CO 0.21 2.06 0.00 -0.24 -1.33 0.00 0.00 177.39 178.09 3ir8 n SER 65 N -0.63 0.00 0.13 -1.43 2.88 -1.26 -4.99 113.62 108.32 3ir8 n SER 65 Ca 0.45 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 58.11 3ir8 n SER 65 Cb 0.75 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 64.67 3ir8 n SER 65 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3ir8 n ILE 66 N 0.00 0.74 0.34 2.46 5.41 -1.26 -2.44 119.36 124.61 3ir8 n ILE 66 Ca 0.00 0.02 0.22 0.00 1.00 0.00 0.00 62.75 64.00 3ir8 n ILE 66 Cb 0.00 -0.94 1.18 0.00 -0.71 0.00 0.00 39.64 39.17 3ir8 n ILE 66 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3ir8 h PRO 67 N 0.00 0.00 -2.40 0.38 0.11 -1.97 -2.75 132.00 125.37 3ir8 h PRO 67 Ca 0.00 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.42 3ir8 h PRO 67 Cb 0.52 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 31.47 3ir8 h PRO 67 CO 0.00 0.00 1.70 1.19 -0.21 0.00 0.00 178.00 180.68 3ir8 n PHE 68 N -3.07 2.39 -4.69 0.65 3.01 -1.02 -4.76 117.46 109.97 3ir8 n PHE 68 Ca -0.03 -2.56 -0.27 0.00 1.01 0.00 0.00 57.45 55.60 3ir8 n PHE 68 Cb 0.10 -1.62 -0.17 0.00 -0.01 0.00 0.00 39.48 37.79 3ir8 n PHE 68 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3ir8 s THR 69 N -1.99 1.43 -0.28 4.37 2.01 -1.04 -4.22 115.64 115.93 3ir8 s THR 69 Ca 0.53 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 3ir8 s THR 69 Cb 0.24 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.46 3ir8 s THR 69 CO -0.14 0.42 1.39 -0.75 -0.69 0.00 0.00 174.62 174.85 3ir8 s LYS 70 N 0.69 3.89 -0.20 4.92 2.20 -0.39 -4.63 119.74 126.22 3ir8 s LYS 70 Ca -0.13 1.37 -0.05 0.00 -0.36 0.00 0.00 55.97 56.79 3ir8 s LYS 70 Cb -0.16 -3.92 -0.03 0.00 -1.51 0.00 0.00 37.83 32.21 3ir8 s LYS 70 CO 0.03 -1.16 0.01 0.71 -0.36 0.00 0.00 175.35 174.58 3ir8 s TYR 71 N 4.59 3.06 0.76 4.03 2.02 -1.26 -0.17 117.35 130.38 3ir8 s TYR 71 Ca 0.60 -0.38 -0.13 0.00 -0.37 0.00 0.00 57.07 56.79 3ir8 s TYR 71 Cb -0.19 -2.08 0.05 0.00 -0.40 0.00 0.00 41.96 39.34 3ir8 s TYR 71 CO 0.25 -0.18 1.15 -1.25 -1.57 0.00 0.00 175.55 173.94 3ir8 s PRO 72 N 0.91 2.11 0.60 -1.71 0.04 -1.26 -4.89 135.00 130.79 3ir8 s PRO 72 Ca 0.01 1.51 0.31 0.00 0.04 0.00 0.00 61.00 62.88 3ir8 s PRO 72 Cb -0.14 -1.85 1.86 0.00 0.04 0.00 0.00 34.50 34.41 3ir8 s PRO 72 CO 0.02 -1.80 2.25 0.93 0.04 0.00 0.00 177.00 178.44 3ir8 h GLU 73 N -0.68 0.00 -0.31 4.56 3.07 -2.00 -1.80 114.58 117.42 3ir8 h GLU 73 Ca -0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 3ir8 h GLU 73 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 3ir8 h GLU 73 CO 0.49 0.00 0.00 -0.40 -1.40 0.00 0.00 179.01 177.70 3ir8 n ASP 74 N -3.77 2.41 -4.20 1.42 3.85 -1.26 -4.73 116.55 110.26 3ir8 n ASP 74 Ca -0.03 -1.87 -0.34 0.00 -0.71 0.00 0.00 54.79 51.85 3ir8 n ASP 74 Cb 0.10 -0.20 -0.15 0.00 -1.35 0.00 0.00 41.12 39.52 3ir8 n ASP 74 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3ir8 s ILE 75 N -1.60 2.69 0.31 2.12 1.01 -0.68 -5.06 121.20 119.98 3ir8 s ILE 75 Ca 0.34 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 3ir8 s ILE 75 Cb 0.19 -2.25 -0.12 0.00 0.01 0.00 0.00 42.46 40.29 3ir8 s ILE 75 CO 0.27 0.38 1.46 -2.65 0.00 0.00 0.00 174.94 174.40 3ir8 n PRO 76 N 4.68 2.40 -3.17 2.79 -0.02 -1.26 -4.67 135.00 135.75 3ir8 n PRO 76 Ca -0.19 0.85 -0.45 0.00 -2.02 0.00 0.00 63.50 61.69 3ir8 n PRO 76 Cb 0.49 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.39 3ir8 n PRO 76 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3ir8 s ASP 77 N 0.15 6.37 0.22 2.55 -1.08 -1.26 -4.42 116.67 119.20 3ir8 s ASP 77 Ca 0.61 -1.85 -0.09 0.00 -0.52 0.00 0.00 52.55 50.70 3ir8 s ASP 77 Cb -0.55 -2.28 0.22 0.00 -1.46 0.00 0.00 42.92 38.86 3ir8 s ASP 77 CO 0.55 -0.95 1.86 0.22 0.52 0.00 0.00 175.17 177.38 3ir8 h TYR 78 N 8.78 0.94 0.06 -5.34 3.20 -1.91 -2.31 116.97 120.38 3ir8 h TYR 78 Ca -0.15 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.74 3ir8 h TYR 78 Cb 1.07 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.03 3ir8 h TYR 78 CO 0.90 0.54 -0.03 0.74 -1.64 0.00 0.00 178.16 178.68 3ir8 h PHE 79 N 0.98 -0.07 -0.52 -3.82 -1.00 -1.93 -3.08 116.94 107.49 3ir8 h PHE 79 Ca 0.31 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.06 3ir8 h PHE 79 Cb 0.00 0.02 -0.03 0.00 3.61 0.00 0.00 35.95 39.56 3ir8 h PHE 79 CO -0.03 0.48 0.18 0.87 -1.61 0.00 0.00 178.31 178.20 3ir8 h LYS 80 N -0.68 0.77 0.00 1.51 1.57 -1.87 -2.80 116.57 115.07 3ir8 h LYS 80 Ca -0.01 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3ir8 h LYS 80 Cb 0.58 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 3ir8 h LYS 80 CO 0.01 0.65 -0.13 1.96 -0.57 0.00 0.00 179.45 181.38 3ir8 h GLN 81 N 0.75 0.00 0.00 3.15 4.20 -1.45 -2.90 115.11 118.86 3ir8 h GLN 81 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3ir8 h GLN 81 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3ir8 h GLN 81 CO -0.01 0.13 0.00 0.66 -0.67 0.00 0.00 178.83 178.93 3ir8 h SER 82 N 0.00 0.00 -4.09 1.46 4.64 -1.40 -3.45 113.55 110.71 3ir8 h SER 82 Ca -0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 3ir8 h SER 82 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3ir8 h SER 82 CO 0.02 0.00 0.33 -0.36 -0.87 0.00 0.00 176.83 175.94 3ir8 s PHE 83 N -3.59 3.41 -0.64 4.77 0.40 -1.10 -0.61 117.98 120.62 3ir8 s PHE 83 Ca 0.02 1.45 0.26 0.00 -0.60 0.00 0.00 56.93 58.05 3ir8 s PHE 83 Cb 0.09 -2.76 0.79 0.00 0.51 0.00 0.00 43.02 41.65 3ir8 s PHE 83 CO 0.48 -0.25 1.75 -1.00 0.70 0.00 0.00 175.22 176.90 3ir8 h PRO 84 N 1.28 0.00 -0.15 0.24 0.13 -1.90 -3.45 132.00 128.15 3ir8 h PRO 84 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3ir8 h PRO 84 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3ir8 h PRO 84 CO 0.62 0.00 0.08 0.93 -0.23 0.00 0.00 178.00 179.40 3ir8 h GLU 85 N 0.00 0.21 0.00 0.86 3.07 -1.91 -3.36 114.58 113.46 3ir8 h GLU 85 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3ir8 h GLU 85 Cb 0.72 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 3ir8 h GLU 85 CO 0.00 0.22 0.00 0.41 -1.40 0.00 0.00 179.01 178.24 3ir8 n GLY 86 N -0.91 -1.65 3.59 -3.84 0.00 0.22 -4.71 105.19 97.88 3ir8 n GLY 86 Ca -0.04 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 3ir8 n GLY 86 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ir8 s TYR 87 N 0.00 0.14 0.20 1.61 -0.85 -0.85 -0.97 117.35 116.63 3ir8 s TYR 87 Ca 0.00 -0.51 0.06 0.00 -0.52 0.00 0.00 57.07 56.09 3ir8 s TYR 87 Cb 0.00 0.31 -0.05 0.00 0.38 0.00 0.00 41.96 42.60 3ir8 s TYR 87 CO 0.00 -0.98 -0.09 0.95 -1.52 0.00 0.00 175.55 173.90 3ir8 s THR 88 N -3.96 1.42 0.05 -3.49 -4.23 -0.12 -0.45 115.64 104.86 3ir8 s THR 88 Ca 0.16 -2.12 -0.16 0.00 -1.18 0.00 0.00 61.69 58.40 3ir8 s THR 88 Cb -0.01 -2.09 0.03 0.00 1.34 0.00 0.00 72.50 71.76 3ir8 s THR 88 CO 0.04 -0.56 0.35 -1.66 -0.54 0.00 0.00 174.62 172.26 3ir8 s TRP 89 N -3.17 -0.17 0.04 3.99 1.48 -0.89 -0.22 118.94 120.00 3ir8 s TRP 89 Ca 0.23 0.07 0.06 0.00 -1.06 0.00 0.00 56.10 55.39 3ir8 s TRP 89 Cb 0.02 0.15 -0.02 0.00 -1.16 0.00 0.00 33.47 32.46 3ir8 s TRP 89 CO 0.06 -0.54 -0.17 -1.21 -4.06 0.00 0.00 176.95 171.03 3ir8 s GLU 90 N -2.58 1.13 -0.09 3.25 0.41 -0.67 -0.69 118.70 119.45 3ir8 s GLU 90 Ca -0.05 -0.84 -0.10 0.00 -0.41 0.00 0.00 54.97 53.57 3ir8 s GLU 90 Cb -0.01 -1.19 0.03 0.00 -1.78 0.00 0.00 34.13 31.18 3ir8 s GLU 90 CO -0.03 0.30 0.28 0.50 -0.49 0.00 0.00 175.26 175.81 3ir8 s ARG 91 N -1.18 0.36 -0.01 1.61 3.52 0.35 -1.00 118.95 122.60 3ir8 s ARG 91 Ca 0.04 0.31 0.05 0.00 -0.13 0.00 0.00 55.73 56.00 3ir8 s ARG 91 Cb -0.08 0.17 -0.03 0.00 -1.56 0.00 0.00 34.95 33.45 3ir8 s ARG 91 CO 0.02 -0.05 -0.14 -1.54 -0.81 0.00 0.00 175.30 172.77 3ir8 s SER 92 N -0.03 4.07 -0.28 -2.12 1.04 0.36 -0.68 113.70 116.05 3ir8 s SER 92 Ca -0.02 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.18 3ir8 s SER 92 Cb -0.02 -0.81 0.08 0.00 0.10 0.00 0.00 66.02 65.36 3ir8 s SER 92 CO 0.01 0.30 -0.04 -0.04 0.98 0.00 0.00 173.24 174.45 3ir8 s MET 93 N -1.10 1.81 -0.42 4.02 -1.94 0.07 -1.32 119.30 120.42 3ir8 s MET 93 Ca 0.14 -1.45 -0.07 0.00 -1.71 0.00 0.00 55.69 52.59 3ir8 s MET 93 Cb -0.11 -2.90 0.09 0.00 2.01 0.00 0.00 34.83 33.93 3ir8 s MET 93 CO 0.03 -0.72 0.25 -0.80 -0.01 0.00 0.00 175.02 173.78 3ir8 s ASN 94 N 1.11 5.52 0.59 3.03 0.02 -0.30 -0.97 114.94 123.94 3ir8 s ASN 94 Ca -0.01 -1.69 -0.14 0.00 -1.02 0.00 0.00 52.86 50.00 3ir8 s ASN 94 Cb -0.19 -1.94 -0.04 0.00 0.02 0.00 0.00 41.25 39.10 3ir8 s ASN 94 CO -0.07 -0.55 1.03 -0.36 0.02 0.00 0.00 177.10 177.16 3ir8 s PHE 95 N 1.34 3.27 0.29 2.20 0.08 -0.40 -0.86 117.98 123.91 3ir8 s PHE 95 Ca 0.04 1.44 0.30 0.00 0.12 0.00 0.00 56.93 58.83 3ir8 s PHE 95 Cb -0.23 -2.86 1.39 0.00 -0.57 0.00 0.00 43.02 40.74 3ir8 s PHE 95 CO -0.00 -0.83 2.01 1.05 -0.10 0.00 0.00 175.22 177.35 3ir8 h GLU 96 N 0.21 0.00 -0.33 0.44 4.11 -1.40 -1.24 114.58 116.37 3ir8 h GLU 96 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 3ir8 h GLU 96 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3ir8 h GLU 96 CO 0.59 0.11 0.00 -0.40 0.07 0.00 0.00 179.01 179.38 3ir8 n ASP 97 N -3.38 2.32 0.00 3.06 5.68 -1.26 -4.94 116.55 118.03 3ir8 n ASP 97 Ca -0.01 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.40 3ir8 n ASP 97 Cb 0.29 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 3ir8 n ASP 97 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ir8 n GLY 98 N 1.24 0.23 3.76 6.12 0.00 -0.47 -5.03 105.19 111.04 3ir8 n GLY 98 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3ir8 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir8 s ALA 99 N -2.00 3.00 -0.02 4.61 0.00 -1.26 -4.84 121.76 121.26 3ir8 s ALA 99 Ca 0.00 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.12 3ir8 s ALA 99 Cb 0.00 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 3ir8 s ALA 99 CO 0.00 -0.92 -0.09 0.08 0.00 0.00 0.00 175.76 174.84 3ir8 s VAL 100 N -1.40 0.71 -0.01 0.00 1.01 -0.73 -1.27 120.40 118.71 3ir8 s VAL 100 Ca 0.64 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.35 3ir8 s VAL 100 Cb -0.35 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 3ir8 s VAL 100 CO 0.42 0.21 -0.26 0.00 0.00 0.00 0.00 175.10 175.48 3ir8 s THR 102 N -0.64 2.39 -0.01 0.00 -4.23 0.48 -0.75 115.64 112.88 3ir8 s THR 102 Ca 0.10 -1.16 0.01 0.00 -1.18 0.00 0.00 61.69 59.46 3ir8 s THR 102 Cb -0.10 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.82 3ir8 s THR 102 CO -0.00 0.46 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.81 3ir8 s VAL 103 N -0.76 0.34 0.00 2.29 1.01 0.14 -1.01 120.40 122.41 3ir8 s VAL 103 Ca 0.12 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.01 3ir8 s VAL 103 Cb -0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 3ir8 s VAL 103 CO 0.02 0.12 -0.13 -0.94 0.00 0.00 0.00 175.10 174.17 3ir8 s SER 104 N 0.20 1.49 0.03 3.32 1.04 -0.24 -0.49 113.70 119.05 3ir8 s SER 104 Ca -0.02 -0.29 0.04 0.00 0.48 0.00 0.00 55.95 56.16 3ir8 s SER 104 Cb -0.05 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 3ir8 s SER 104 CO -0.00 0.11 -0.12 0.21 0.98 0.00 0.00 173.24 174.42 3ir8 s ASN 105 N -0.55 1.41 -0.10 7.02 3.84 0.13 -0.74 114.94 125.96 3ir8 s ASN 105 Ca 0.04 -0.42 0.03 0.00 0.21 0.00 0.00 52.86 52.71 3ir8 s ASN 105 Cb -0.06 -0.08 -0.01 0.00 -0.55 0.00 0.00 41.25 40.55 3ir8 s ASN 105 CO 0.00 0.00 -0.19 -0.62 -2.79 0.00 0.00 177.10 173.50 3ir8 s ASP 106 N -1.07 3.55 -0.08 -4.21 2.15 0.11 -2.10 116.67 115.03 3ir8 s ASP 106 Ca -0.00 -0.42 0.02 0.00 0.43 0.00 0.00 52.55 52.57 3ir8 s ASP 106 Cb -0.07 -1.35 0.01 0.00 -0.30 0.00 0.00 42.92 41.21 3ir8 s ASP 106 CO 0.01 0.19 -0.13 -0.44 -0.17 0.00 0.00 175.17 174.64 3ir8 s SER 107 N 0.17 1.93 0.21 -0.34 0.01 0.40 -1.07 113.70 115.01 3ir8 s SER 107 Ca -0.11 -0.32 0.03 0.00 1.31 0.00 0.00 55.95 56.86 3ir8 s SER 107 Cb -0.16 -0.88 -0.01 0.00 0.21 0.00 0.00 66.02 65.18 3ir8 s SER 107 CO 0.06 0.02 0.12 -1.54 0.41 0.00 0.00 173.24 172.31 3ir8 n SER 108 N 3.95 0.43 -3.78 2.44 3.41 -0.06 -2.01 113.62 118.00 3ir8 n SER 108 Ca -0.21 -2.23 -0.13 0.00 -0.26 0.00 0.00 58.87 56.04 3ir8 n SER 108 Cb 0.52 0.75 -0.11 0.00 -0.26 0.00 0.00 64.21 65.10 3ir8 n SER 108 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3ir8 s ILE 109 N -2.57 0.01 -0.33 -1.33 2.07 -1.26 -0.53 121.20 117.27 3ir8 s ILE 109 Ca 0.17 -0.09 -0.00 0.00 -1.41 0.00 0.00 60.65 59.32 3ir8 s ILE 109 Cb 0.01 -0.43 0.10 0.00 0.13 0.00 0.00 42.46 42.27 3ir8 s ILE 109 CO 0.12 -0.05 0.11 -1.10 -1.91 0.00 0.00 174.94 172.11 3ir8 s GLN 110 N -0.10 0.84 7.74 3.50 -0.21 -0.19 -4.93 119.66 126.30 3ir8 s GLN 110 Ca -0.02 -1.25 0.00 0.00 0.02 0.00 0.00 55.36 54.10 3ir8 s GLN 110 Cb -0.03 -2.11 0.00 0.00 1.00 0.00 0.00 33.01 31.87 3ir8 s GLN 110 CO 0.01 -1.01 0.00 0.41 -2.12 0.00 0.00 175.29 172.58 3ir8 n GLY 111 N 4.63 2.97 1.45 3.09 0.00 -1.26 -1.89 105.19 114.18 3ir8 n GLY 111 Ca -0.00 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 45.88 3ir8 n GLY 111 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ir8 n ASN 112 N 8.20 4.27 -4.07 1.61 6.94 -1.26 -4.84 115.26 126.10 3ir8 n ASN 112 Ca 0.00 -2.43 -0.32 0.00 -0.02 0.00 0.00 54.58 51.81 3ir8 n ASN 112 Cb 0.00 -0.55 -0.15 0.00 -2.36 0.00 0.00 39.78 36.72 3ir8 n ASN 112 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ir8 s PHE 114 N 1.15 2.57 -0.15 0.00 0.08 -0.23 -1.03 117.98 120.37 3ir8 s PHE 114 Ca -0.07 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.53 3ir8 s PHE 114 Cb -0.19 -3.31 0.02 0.00 -0.57 0.00 0.00 43.02 38.97 3ir8 s PHE 114 CO -0.06 -1.78 -0.14 0.42 -0.10 0.00 0.00 175.22 173.56 3ir8 s ILE 115 N -1.86 1.57 -0.14 0.64 -1.09 0.31 -1.00 121.20 119.63 3ir8 s ILE 115 Ca 0.73 -0.63 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 3ir8 s ILE 115 Cb -0.25 -1.47 -0.01 0.00 -1.58 0.00 0.00 42.46 39.16 3ir8 s ILE 115 CO 0.32 0.46 -0.15 -0.31 -1.23 0.00 0.00 174.94 174.02 3ir8 s TYR 116 N 1.49 2.77 -0.16 3.97 2.02 -0.08 -0.88 117.35 126.47 3ir8 s TYR 116 Ca 0.05 -0.92 0.01 0.00 -0.37 0.00 0.00 57.07 55.84 3ir8 s TYR 116 Cb -0.13 -1.86 0.01 0.00 -0.40 0.00 0.00 41.96 39.58 3ir8 s TYR 116 CO -0.11 -0.39 -0.19 -0.80 -1.57 0.00 0.00 175.55 172.49 3ir8 s ASN 117 N 0.64 3.26 -0.00 2.29 0.01 -0.24 -0.77 114.94 120.13 3ir8 s ASN 117 Ca -0.08 -0.59 0.03 0.00 -0.71 0.00 0.00 52.86 51.51 3ir8 s ASN 117 Cb -0.16 -1.49 -0.01 0.00 0.41 0.00 0.00 41.25 40.00 3ir8 s ASN 117 CO 0.02 0.04 -0.11 0.54 -1.51 0.00 0.00 177.10 176.09 3ir8 s VAL 118 N 1.06 0.87 0.01 1.60 0.11 0.04 -0.71 120.40 123.38 3ir8 s VAL 118 Ca -0.01 -0.52 0.07 0.00 -2.93 0.00 0.00 61.98 58.59 3ir8 s VAL 118 Cb -0.14 -0.74 -0.02 0.00 -1.53 0.00 0.00 36.38 33.95 3ir8 s VAL 118 CO -0.06 0.21 -0.22 -0.54 -3.33 0.00 0.00 175.10 171.16 3ir8 s LYS 119 N -0.36 1.61 -0.01 1.54 1.02 0.09 -1.50 119.74 122.12 3ir8 s LYS 119 Ca 0.04 -0.86 0.02 0.00 0.02 0.00 0.00 55.97 55.19 3ir8 s LYS 119 Cb -0.05 -1.64 -0.00 0.00 -0.52 0.00 0.00 37.83 35.62 3ir8 s LYS 119 CO -0.00 0.44 -0.07 -1.50 -0.92 0.00 0.00 175.35 173.29 3ir8 s ILE 120 N -0.63 0.61 -0.08 2.17 2.07 -0.74 -1.07 121.20 123.52 3ir8 s ILE 120 Ca 0.08 -0.31 0.03 0.00 -1.41 0.00 0.00 60.65 59.03 3ir8 s ILE 120 Cb -0.09 -0.52 0.01 0.00 0.13 0.00 0.00 42.46 42.00 3ir8 s ILE 120 CO 0.00 0.18 -0.16 -0.55 -1.91 0.00 0.00 174.94 172.50 3ir8 s SER 121 N -0.09 2.24 0.03 4.50 0.15 -0.18 -1.62 113.70 118.73 3ir8 s SER 121 Ca 0.02 -0.39 0.02 0.00 0.70 0.00 0.00 55.95 56.30 3ir8 s SER 121 Cb -0.04 -1.03 -0.02 0.00 -1.71 0.00 0.00 66.02 63.23 3ir8 s SER 121 CO -0.00 0.06 -0.08 -0.83 1.20 0.00 0.00 173.24 173.60 3ir8 s GLY 122 N 0.64 0.45 0.21 9.45 0.00 0.43 -0.38 107.32 118.11 3ir8 s GLY 122 Ca -0.14 -0.60 -0.10 0.00 0.00 0.00 0.00 44.72 43.88 3ir8 s GLY 122 CO 0.04 -0.62 0.36 -1.83 0.00 0.00 0.00 173.10 171.05 3ir8 s GLU 123 N -1.07 1.34 -1.29 2.90 -1.05 -0.65 -0.75 118.70 118.13 3ir8 s GLU 123 Ca -0.05 -1.26 0.00 0.00 -0.15 0.00 0.00 54.97 53.51 3ir8 s GLU 123 Cb -0.07 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 3ir8 s GLU 123 CO 0.00 -0.52 0.00 0.09 0.95 0.00 0.00 175.26 175.78 3ir8 n ASN 124 N -0.30 -4.40 -4.72 0.83 3.02 -1.26 -1.78 115.26 106.65 3ir8 n ASN 124 Ca -0.04 0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 3ir8 n ASN 124 Cb 0.63 -3.40 -0.03 0.00 -0.61 0.00 0.00 39.78 36.37 3ir8 n ASN 124 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3ir8 s PHE 125 N -2.62 3.34 0.40 3.10 0.08 -1.26 -3.99 117.98 117.03 3ir8 s PHE 125 Ca 0.00 1.17 -0.27 0.00 0.12 0.00 0.00 56.93 57.95 3ir8 s PHE 125 Cb 0.00 -3.55 -0.09 0.00 -0.57 0.00 0.00 43.02 38.81 3ir8 s PHE 125 CO 0.00 -1.77 1.40 -2.14 -0.10 0.00 0.00 175.22 172.61 3ir8 s PRO 126 N 0.77 3.98 0.50 0.24 0.02 -1.26 -4.86 135.00 134.39 3ir8 s PRO 126 Ca 0.60 2.38 0.33 0.00 0.02 0.00 0.00 61.00 64.33 3ir8 s PRO 126 Cb -0.34 -2.84 1.45 0.00 0.02 0.00 0.00 34.50 32.80 3ir8 s PRO 126 CO 0.32 -0.57 1.98 -1.00 -0.33 0.00 0.00 177.00 177.40 3ir8 h PRO 127 N 2.77 0.00 -0.11 5.54 0.13 -1.97 -1.51 132.00 136.84 3ir8 h PRO 127 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3ir8 h PRO 127 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3ir8 h PRO 127 CO 0.63 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.67 3ir8 n ASN 128 N -2.89 2.68 -4.62 1.44 6.94 -1.26 -4.49 115.26 113.05 3ir8 n ASN 128 Ca 0.00 -2.61 -0.24 0.00 -0.02 0.00 0.00 54.58 51.72 3ir8 n ASN 128 Cb 0.24 -0.31 0.12 0.00 -2.36 0.00 0.00 39.78 37.48 3ir8 n ASN 128 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3ir8 s GLY 129 N -1.87 1.76 0.36 4.83 0.00 -0.57 -4.78 107.32 107.05 3ir8 s GLY 129 Ca 0.24 -1.70 0.18 0.00 0.00 0.00 0.00 44.72 43.44 3ir8 s GLY 129 CO 0.05 -1.11 1.69 -0.56 0.00 0.00 0.00 173.10 173.18 3ir8 h PRO 130 N -0.64 0.00 0.29 2.90 0.13 -1.93 0.17 132.00 132.92 3ir8 h PRO 130 Ca -0.37 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 3ir8 h PRO 130 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3ir8 h PRO 130 CO 0.40 0.41 -0.14 0.28 -0.23 0.00 0.00 178.00 178.72 3ir8 h VAL 131 N 0.00 0.75 0.00 1.56 2.07 -1.93 0.20 116.25 118.90 3ir8 h VAL 131 Ca -0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3ir8 h VAL 131 Cb 0.96 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3ir8 h VAL 131 CO 0.05 0.08 -0.06 0.23 0.02 0.00 0.00 177.57 177.89 3ir8 n MET 132 N -5.17 0.11 -0.27 1.57 2.81 -1.00 -0.80 117.12 114.37 3ir8 n MET 132 Ca -0.10 0.08 0.12 0.00 -1.81 0.00 0.00 57.70 55.99 3ir8 n MET 132 Cb 0.23 -1.62 0.26 0.00 -0.71 0.00 0.00 33.22 31.39 3ir8 n MET 132 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3ir8 n GLN 133 N -1.80 2.61 -3.62 0.03 1.13 0.57 -4.58 117.38 111.73 3ir8 n GLN 133 Ca 0.06 -2.47 -0.21 0.00 -1.94 0.00 0.00 57.00 52.44 3ir8 n GLN 133 Cb 0.38 -1.54 0.06 0.00 0.11 0.00 0.00 30.24 29.24 3ir8 n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3ir8 n LYS 134 N 1.59 -6.07 -0.19 -1.09 5.02 -0.54 -4.92 118.16 111.96 3ir8 n LYS 134 Ca 0.22 0.73 0.10 0.00 -2.02 0.00 0.00 58.31 57.33 3ir8 n LYS 134 Cb 0.62 -5.57 0.18 0.00 -0.02 0.00 0.00 35.03 30.24 3ir8 n LYS 134 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ir8 n LYS 135 N -4.39 1.77 -2.88 1.97 4.01 0.58 -4.99 118.16 114.24 3ir8 n LYS 135 Ca -0.20 -2.66 -0.27 0.00 -0.51 0.00 0.00 58.31 54.66 3ir8 n LYS 135 Cb 0.64 -1.61 -0.01 0.00 -0.51 0.00 0.00 35.03 33.54 3ir8 n LYS 135 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3ir8 s THR 136 N -2.87 4.94 -0.28 -0.18 -4.23 -1.24 -2.07 115.64 109.71 3ir8 s THR 136 Ca 0.35 0.13 0.19 0.00 -1.18 0.00 0.00 61.69 61.19 3ir8 s THR 136 Cb 0.30 -3.83 0.49 0.00 1.34 0.00 0.00 72.50 70.80 3ir8 s THR 136 CO 0.05 -0.69 1.10 0.00 -0.54 0.00 0.00 174.62 174.54 3ir8 n GLN 137 N -1.88 2.01 0.00 3.99 6.02 0.17 -4.86 117.38 122.84 3ir8 n GLN 137 Ca -0.00 -3.61 0.00 0.00 -0.01 0.00 0.00 57.00 53.38 3ir8 n GLN 137 Cb 0.55 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 30.12 3ir8 n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ir8 n GLY 138 N -0.55 -0.14 3.83 1.08 0.00 -1.26 -4.67 105.19 103.47 3ir8 n GLY 138 Ca 0.14 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 3ir8 n GLY 138 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ir8 s TRP 139 N -2.34 3.68 0.53 1.61 0.52 -1.26 -1.25 118.94 120.44 3ir8 s TRP 139 Ca 0.00 1.20 -0.21 0.00 0.02 0.00 0.00 56.10 57.11 3ir8 s TRP 139 Cb 0.00 -2.46 -0.05 0.00 -1.15 0.00 0.00 33.47 29.80 3ir8 s TRP 139 CO 0.00 0.47 1.26 -1.21 0.02 0.00 0.00 176.95 177.48 3ir8 s GLU 140 N -1.67 3.28 0.58 4.98 0.41 -0.59 -4.76 118.70 120.92 3ir8 s GLU 140 Ca 0.36 1.98 -0.20 0.00 -0.41 0.00 0.00 54.97 56.70 3ir8 s GLU 140 Cb -0.17 -2.21 -0.05 0.00 -1.78 0.00 0.00 34.13 29.92 3ir8 s GLU 140 CO 0.20 -1.00 1.14 -2.30 -0.49 0.00 0.00 175.26 172.80 3ir8 n PRO 141 N -1.01 1.20 -3.82 0.39 -0.02 -1.26 -4.78 135.00 125.69 3ir8 n PRO 141 Ca 0.10 0.45 -0.10 0.00 -2.02 0.00 0.00 63.50 61.94 3ir8 n PRO 141 Cb 0.47 -2.33 -0.05 0.00 -0.02 0.00 0.00 33.50 31.57 3ir8 n PRO 141 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ir8 s SER 142 N -1.13 -0.11 -0.18 2.55 1.04 -0.55 -4.99 113.70 110.33 3ir8 s SER 142 Ca 0.75 -0.62 -0.01 0.00 0.48 0.00 0.00 55.95 56.55 3ir8 s SER 142 Cb -0.42 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.19 3ir8 s SER 142 CO 0.47 -0.94 -0.13 -0.89 0.98 0.00 0.00 173.24 172.73 3ir8 s THR 143 N -3.90 2.72 0.02 2.02 2.01 -1.26 -0.61 115.64 116.64 3ir8 s THR 143 Ca 0.11 -0.73 -0.17 0.00 0.31 0.00 0.00 61.69 61.21 3ir8 s THR 143 Cb 0.01 -2.18 -0.06 0.00 0.01 0.00 0.00 72.50 70.28 3ir8 s THR 143 CO -0.03 0.49 0.49 -0.70 -0.69 0.00 0.00 174.62 174.18 3ir8 s GLU 144 N 1.18 4.10 -0.17 4.92 2.12 -0.42 -4.69 118.70 125.74 3ir8 s GLU 144 Ca 0.02 0.57 -0.04 0.00 0.36 0.00 0.00 54.97 55.87 3ir8 s GLU 144 Cb -0.14 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 3ir8 s GLU 144 CO -0.05 0.60 -0.02 1.03 -0.54 0.00 0.00 175.26 176.28 3ir8 s ARG 145 N -0.88 3.71 0.11 4.30 0.52 -0.69 -0.39 118.95 125.63 3ir8 s ARG 145 Ca 0.27 -0.50 0.09 0.00 -0.52 0.00 0.00 55.73 55.07 3ir8 s ARG 145 Cb -0.18 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.28 3ir8 s ARG 145 CO 0.16 0.22 -0.23 -0.51 0.02 0.00 0.00 175.30 174.95 3ir8 s LEU 146 N 0.45 2.30 0.23 2.53 1.02 -0.30 -1.80 118.68 123.11 3ir8 s LEU 146 Ca -0.02 -0.70 -0.14 0.00 0.02 0.00 0.00 54.13 53.29 3ir8 s LEU 146 Cb -0.14 -1.01 0.00 0.00 0.02 0.00 0.00 46.19 45.07 3ir8 s LEU 146 CO 0.02 0.11 0.49 0.72 0.02 0.00 0.00 176.35 177.72 3ir8 s PHE 147 N -1.10 0.23 0.00 0.29 -0.12 -0.41 -2.27 117.98 114.61 3ir8 s PHE 147 Ca 0.09 -0.60 -0.17 0.00 -0.05 0.00 0.00 56.93 56.21 3ir8 s PHE 147 Cb -0.10 0.26 -0.06 0.00 -0.63 0.00 0.00 43.02 42.49 3ir8 s PHE 147 CO 0.05 -0.98 0.46 0.00 -0.05 0.00 0.00 175.22 174.70 3ir8 s ALA 148 N -3.98 3.63 -0.19 1.99 0.00 -1.26 -0.55 121.76 121.40 3ir8 s ALA 148 Ca 0.19 -0.14 -0.07 0.00 0.00 0.00 0.00 51.96 51.93 3ir8 s ALA 148 Cb -0.01 -2.49 0.09 0.00 0.00 0.00 0.00 23.12 20.70 3ir8 s ALA 148 CO 0.06 0.39 0.41 0.50 0.00 0.00 0.00 175.76 177.12 3ir8 s ARG 149 N -0.83 0.32 -1.49 0.00 3.52 -0.36 -4.95 118.95 115.17 3ir8 s ARG 149 Ca 0.25 1.01 -0.04 0.00 -0.13 0.00 0.00 55.73 56.83 3ir8 s ARG 149 Cb -0.17 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.52 3ir8 s ARG 149 CO 0.14 -0.25 0.51 -3.47 -0.81 0.00 0.00 175.30 171.43 3ir8 n ASP 150 N 5.31 -5.84 0.00 -2.12 -0.08 -1.26 -1.34 116.55 111.23 3ir8 n ASP 150 Ca -0.09 -0.24 0.00 0.00 -1.51 0.00 0.00 54.79 52.94 3ir8 n ASP 150 Cb 0.50 -4.68 0.00 0.00 2.34 0.00 0.00 41.12 39.28 3ir8 n ASP 150 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ir8 n GLY 151 N -1.43 0.81 3.71 0.27 0.00 -1.26 -5.02 105.19 102.26 3ir8 n GLY 151 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 3ir8 n GLY 151 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ir8 s MET 152 N -0.07 2.20 -0.08 1.61 1.00 -0.45 -4.59 119.30 118.91 3ir8 s MET 152 Ca 0.00 -1.79 0.02 0.00 0.00 0.00 0.00 55.69 53.91 3ir8 s MET 152 Cb 0.00 -1.98 -0.02 0.00 0.00 0.00 0.00 34.83 32.83 3ir8 s MET 152 CO 0.00 -0.02 -0.12 -0.51 0.00 0.00 0.00 175.02 174.37 3ir8 s LEU 153 N -3.84 2.83 -0.21 -0.03 1.43 -0.59 -1.22 118.68 117.04 3ir8 s LEU 153 Ca 0.39 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 53.24 3ir8 s LEU 153 Cb 0.02 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 3ir8 s LEU 153 CO 0.22 0.28 -0.01 -0.63 0.23 0.00 0.00 176.35 176.43 3ir8 s ILE 154 N -0.34 3.70 0.11 -0.59 1.01 0.29 -0.32 121.20 125.06 3ir8 s ILE 154 Ca 0.04 -0.39 0.09 0.00 0.00 0.00 0.00 60.65 60.39 3ir8 s ILE 154 Cb -0.13 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 3ir8 s ILE 154 CO 0.02 0.42 -0.19 -0.83 0.00 0.00 0.00 174.94 174.36 3ir8 s GLY 155 N 1.29 1.66 -0.01 6.18 0.00 0.55 -1.29 107.32 115.71 3ir8 s GLY 155 Ca 0.04 -1.35 -0.00 0.00 0.00 0.00 0.00 44.72 43.40 3ir8 s GLY 155 CO -0.00 -1.32 0.02 -1.31 0.00 0.00 0.00 173.10 170.49 3ir8 s ASN 156 N -2.06 0.01 -0.13 1.64 0.01 -0.74 -0.94 114.94 112.73 3ir8 s ASN 156 Ca 0.17 0.03 -0.07 0.00 -0.71 0.00 0.00 52.86 52.28 3ir8 s ASN 156 Cb -0.10 0.00 0.05 0.00 0.41 0.00 0.00 41.25 41.61 3ir8 s ASN 156 CO 0.09 -0.04 0.31 -0.62 -1.51 0.00 0.00 177.10 175.33 3ir8 s ASP 157 N 0.34 -0.37 -0.57 -1.22 -1.08 -0.37 -1.70 116.67 111.70 3ir8 s ASP 157 Ca -0.03 0.67 -0.18 0.00 -0.52 0.00 0.00 52.55 52.50 3ir8 s ASP 157 Cb -0.04 0.56 0.11 0.00 -1.46 0.00 0.00 42.92 42.09 3ir8 s ASP 157 CO -0.01 -0.17 0.63 -0.47 0.52 0.00 0.00 175.17 175.66 3ir8 s TYR 158 N 1.24 3.09 0.34 -5.34 5.04 -1.26 -0.06 117.35 120.40 3ir8 s TYR 158 Ca -0.09 -1.04 -0.04 0.00 -2.44 0.00 0.00 57.07 53.46 3ir8 s TYR 158 Cb -0.09 -3.90 -0.04 0.00 0.35 0.00 0.00 41.96 38.28 3ir8 s TYR 158 CO -0.10 -1.18 0.60 -1.64 -1.34 0.00 0.00 175.55 171.89 3ir8 s MET 159 N 2.31 3.58 -0.09 4.97 -1.94 -0.16 -4.93 119.30 123.05 3ir8 s MET 159 Ca 0.09 -0.04 -0.03 0.00 -1.71 0.00 0.00 55.69 53.99 3ir8 s MET 159 Cb -0.26 -2.59 0.05 0.00 2.01 0.00 0.00 34.83 34.04 3ir8 s MET 159 CO 0.05 0.11 0.17 0.00 -0.01 0.00 0.00 175.02 175.35 3ir8 s ALA 160 N -2.27 -0.22 -0.19 3.03 0.00 -1.26 -0.79 121.76 120.06 3ir8 s ALA 160 Ca 0.44 0.62 -0.16 0.00 0.00 0.00 0.00 51.96 52.85 3ir8 s ALA 160 Cb -0.10 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 3ir8 s ALA 160 CO 0.34 -0.50 0.42 -0.51 0.00 0.00 0.00 175.76 175.51 3ir8 s LEU 161 N 2.11 4.18 0.22 0.00 1.43 -0.02 -1.55 118.68 125.05 3ir8 s LEU 161 Ca 0.01 0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 53.39 3ir8 s LEU 161 Cb -0.12 -2.56 -0.08 0.00 0.03 0.00 0.00 46.19 43.46 3ir8 s LEU 161 CO -0.06 -0.07 1.12 -0.54 0.23 0.00 0.00 176.35 177.02 3ir8 s LYS 162 N 1.22 4.59 -0.11 1.70 1.02 -0.38 -0.60 119.74 127.18 3ir8 s LYS 162 Ca 0.21 1.78 -0.02 0.00 0.02 0.00 0.00 55.97 57.96 3ir8 s LYS 162 Cb -0.15 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 3ir8 s LYS 162 CO 0.08 0.10 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.07 3ir8 s LEU 163 N -0.75 3.35 0.05 3.17 1.43 -0.89 -0.65 118.68 124.39 3ir8 s LEU 163 Ca 0.48 -0.00 -0.35 0.00 -1.03 0.00 0.00 54.13 53.23 3ir8 s LEU 163 Cb -0.31 -1.77 -0.14 0.00 0.03 0.00 0.00 46.19 44.00 3ir8 s LEU 163 CO 0.37 0.30 1.64 -1.84 0.23 0.00 0.00 176.35 177.05 3ir8 n GLU 164 N 2.68 1.95 0.00 1.70 -0.00 -0.88 -0.10 120.64 125.99 3ir8 n GLU 164 Ca -0.18 0.71 0.00 0.00 -0.00 0.00 0.00 57.16 57.69 3ir8 n GLU 164 Cb 0.53 -2.47 0.00 0.00 -0.00 0.00 0.00 31.44 29.50 3ir8 n GLU 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ir8 n GLY 165 N 3.61 2.54 0.00 -1.84 0.00 -1.26 -4.97 105.19 103.26 3ir8 n GLY 165 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3ir8 n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ir8 n GLY 166 N -1.73 1.49 0.70 -0.02 0.00 0.86 -5.13 105.19 101.35 3ir8 n GLY 166 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 3ir8 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ir8 n GLY 167 N 1.78 -2.71 3.08 -0.02 0.00 -1.26 -4.47 105.19 101.59 3ir8 n GLY 167 Ca 0.00 -1.68 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 3ir8 n GLY 167 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ir8 s HIS 168 N -0.86 0.57 -0.23 1.61 0.09 -1.26 -2.10 115.29 113.11 3ir8 s HIS 168 Ca 0.00 -0.79 -0.04 0.00 -0.00 0.00 0.00 55.06 54.23 3ir8 s HIS 168 Cb 0.00 -0.37 -0.01 0.00 -0.00 0.00 0.00 32.58 32.20 3ir8 s HIS 168 CO 0.00 -0.22 -0.02 -0.47 -0.00 0.00 0.00 174.74 174.03 3ir8 s TYR 169 N -2.75 2.99 0.01 1.40 5.04 0.23 -4.92 117.35 119.33 3ir8 s TYR 169 Ca -0.01 -0.87 -0.04 0.00 -2.44 0.00 0.00 57.07 53.72 3ir8 s TYR 169 Cb -0.01 -2.13 -0.04 0.00 0.35 0.00 0.00 41.96 40.13 3ir8 s TYR 169 CO -0.05 -0.52 0.22 -0.51 -1.34 0.00 0.00 175.55 173.35 3ir8 s LEU 170 N 1.50 4.36 -0.12 6.97 1.43 -1.26 -0.84 118.68 130.73 3ir8 s LEU 170 Ca 0.06 0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 53.51 3ir8 s LEU 170 Cb -0.14 -2.69 0.05 0.00 0.03 0.00 0.00 46.19 43.44 3ir8 s LEU 170 CO -0.02 0.24 0.27 0.00 0.23 0.00 0.00 176.35 177.07 3ir8 s GLU 172 N 1.68 4.46 -0.18 0.00 2.02 -0.04 -0.99 118.70 125.66 3ir8 s GLU 172 Ca -0.06 1.44 -0.05 0.00 0.02 0.00 0.00 54.97 56.33 3ir8 s GLU 172 Cb -0.11 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.59 3ir8 s GLU 172 CO -0.09 -0.24 -0.01 -0.06 0.02 0.00 0.00 175.26 174.88 3ir8 s PHE 173 N 1.67 3.05 -0.11 1.61 0.40 0.91 -1.15 117.98 124.36 3ir8 s PHE 173 Ca 0.51 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.51 3ir8 s PHE 173 Cb -0.20 -2.02 0.02 0.00 0.51 0.00 0.00 43.02 41.33 3ir8 s PHE 173 CO 0.22 -0.10 -0.13 0.15 0.70 0.00 0.00 175.22 176.06 3ir8 s LYS 174 N 0.61 1.97 0.01 0.44 3.01 -0.43 -1.23 119.74 124.11 3ir8 s LYS 174 Ca -0.01 -0.46 0.04 0.00 -1.01 0.00 0.00 55.97 54.54 3ir8 s LYS 174 Cb -0.14 -1.77 -0.01 0.00 -1.01 0.00 0.00 37.83 34.89 3ir8 s LYS 174 CO 0.02 -0.14 -0.14 -1.12 0.51 0.00 0.00 175.35 174.49 3ir8 s SER 175 N 1.22 1.64 -0.13 2.83 0.01 -0.11 -0.49 113.70 118.67 3ir8 s SER 175 Ca -0.03 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 56.93 3ir8 s SER 175 Cb -0.14 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 65.95 3ir8 s SER 175 CO -0.04 0.12 -0.19 -0.89 0.41 0.00 0.00 173.24 172.65 3ir8 s THR 176 N -0.50 1.85 -0.15 1.44 2.01 -0.17 -0.33 115.64 119.78 3ir8 s THR 176 Ca 0.04 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.17 3ir8 s THR 176 Cb -0.06 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 3ir8 s THR 176 CO 0.00 0.51 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.07 3ir8 s TYR 177 N 0.96 2.95 -0.24 4.92 2.02 0.57 -1.67 117.35 126.86 3ir8 s TYR 177 Ca -0.05 -0.45 -0.01 0.00 -0.37 0.00 0.00 57.07 56.19 3ir8 s TYR 177 Cb -0.15 -1.94 0.07 0.00 -0.40 0.00 0.00 41.96 39.55 3ir8 s TYR 177 CO -0.04 -0.13 0.04 0.21 -1.57 0.00 0.00 175.55 174.06 3ir8 s LYS 178 N 0.45 0.87 0.50 -0.62 2.20 0.69 -1.55 119.74 122.28 3ir8 s LYS 178 Ca -0.05 -0.76 -0.22 0.00 -0.36 0.00 0.00 55.97 54.58 3ir8 s LYS 178 Cb -0.15 -2.18 -0.06 0.00 -1.51 0.00 0.00 37.83 33.93 3ir8 s LYS 178 CO 0.03 -0.75 1.22 0.00 -0.36 0.00 0.00 175.35 175.50 3ir8 s ALA 179 N 1.68 2.89 -1.65 3.13 0.00 -1.26 -0.95 121.76 125.60 3ir8 s ALA 179 Ca 0.02 1.05 0.29 0.00 0.00 0.00 0.00 51.96 53.32 3ir8 s ALA 179 Cb -0.17 -3.44 1.36 0.00 0.00 0.00 0.00 23.12 20.87 3ir8 s ALA 179 CO -0.13 -0.90 1.94 1.63 0.00 0.00 0.00 175.76 178.30 3ir8 n LYS 180 N -0.75 0.68 -4.15 0.00 5.02 -0.15 -4.80 118.16 114.00 3ir8 n LYS 180 Ca 0.09 -0.17 -0.11 0.00 -2.02 0.00 0.00 58.31 56.10 3ir8 n LYS 180 Cb 0.47 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.90 3ir8 n LYS 180 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3ir8 s LYS 181 N -2.44 1.21 0.60 1.97 -2.85 -1.26 -5.01 119.74 111.96 3ir8 s LYS 181 Ca 0.31 -1.53 -0.18 0.00 -1.00 0.00 0.00 55.97 53.57 3ir8 s LYS 181 Cb 0.20 0.30 -0.03 0.00 -2.06 0.00 0.00 37.83 36.24 3ir8 s LYS 181 CO 0.46 -0.41 1.16 -2.14 0.10 0.00 0.00 175.35 174.52 3ir8 s PRO 182 N -4.12 3.02 0.19 1.78 0.02 -1.26 -4.97 135.00 129.66 3ir8 s PRO 182 Ca 0.34 1.67 0.01 0.00 0.02 0.00 0.00 61.00 63.03 3ir8 s PRO 182 Cb 0.06 -1.95 -0.05 0.00 0.02 0.00 0.00 34.50 32.58 3ir8 s PRO 182 CO 0.10 -1.13 0.06 0.14 -0.33 0.00 0.00 177.00 175.83 3ir8 s VAL 183 N -1.82 0.41 -0.00 3.83 -7.23 -1.26 -4.96 120.40 109.37 3ir8 s VAL 183 Ca 0.74 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.63 3ir8 s VAL 183 Cb -0.26 -2.30 -0.06 0.00 0.56 0.00 0.00 36.38 34.32 3ir8 s VAL 183 CO 0.33 -0.27 1.61 -0.60 -0.31 0.00 0.00 175.10 175.85 3ir8 s ARG 184 N -4.02 4.21 0.01 4.82 6.06 -1.26 -4.97 118.95 123.80 3ir8 s ARG 184 Ca 0.30 2.20 -0.27 0.00 -2.50 0.00 0.00 55.73 55.46 3ir8 s ARG 184 Cb 0.07 -3.78 -0.04 0.00 0.06 0.00 0.00 34.95 31.26 3ir8 s ARG 184 CO 0.07 -0.76 0.83 -1.64 -2.50 0.00 0.00 175.30 171.31 3ir8 s MET 185 N 3.25 4.52 0.70 5.12 -1.94 -1.26 -4.66 119.30 125.03 3ir8 s MET 185 Ca 0.72 1.16 -0.10 0.00 -1.71 0.00 0.00 55.69 55.75 3ir8 s MET 185 Cb -0.35 -3.42 0.03 0.00 2.01 0.00 0.00 34.83 33.09 3ir8 s MET 185 CO 0.30 0.11 1.07 -1.25 -0.01 0.00 0.00 175.02 175.24 3ir8 s PRO 186 N 0.52 2.70 0.00 2.03 0.04 -1.26 -4.78 135.00 134.25 3ir8 s PRO 186 Ca 0.43 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.76 3ir8 s PRO 186 Cb -0.20 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3ir8 s PRO 186 CO 0.24 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.62 3ir8 n GLY 187 N -2.97 -0.22 3.65 0.56 0.00 -1.26 -4.52 105.19 100.42 3ir8 n GLY 187 Ca 0.07 -1.76 -0.47 0.00 0.00 0.00 0.00 46.02 43.86 3ir8 n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir8 n ARG 188 N -0.48 1.86 -3.76 1.61 1.74 -1.26 -4.65 116.66 111.72 3ir8 n ARG 188 Ca 0.00 0.67 -0.08 0.00 -0.77 0.00 0.00 57.85 57.66 3ir8 n ARG 188 Cb 0.00 -2.34 0.03 0.00 -1.02 0.00 0.00 32.46 29.12 3ir8 n ARG 188 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 3ir8 n HIS 189 N 2.50 -2.27 -4.07 -1.55 1.44 -0.96 -4.41 115.22 105.90 3ir8 n HIS 189 Ca 0.15 -1.79 -0.13 0.00 -2.01 0.00 0.00 57.72 53.94 3ir8 n HIS 189 Cb 0.28 0.89 -0.11 0.00 0.12 0.00 0.00 29.99 31.17 3ir8 n HIS 189 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3ir8 s GLU 190 N -2.08 0.55 -0.10 -1.40 2.02 -0.18 -1.15 118.70 116.36 3ir8 s GLU 190 Ca 0.16 -0.79 0.04 0.00 0.02 0.00 0.00 54.97 54.40 3ir8 s GLU 190 Cb -0.05 -0.29 0.00 0.00 0.10 0.00 0.00 34.13 33.89 3ir8 s GLU 190 CO 0.11 0.05 -0.23 0.42 0.02 0.00 0.00 175.26 175.63 3ir8 s ILE 191 N -1.50 1.95 -0.16 -1.63 1.01 0.48 -1.47 121.20 119.88 3ir8 s ILE 191 Ca -0.09 -0.95 -0.14 0.00 0.00 0.00 0.00 60.65 59.47 3ir8 s ILE 191 Cb -0.09 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 3ir8 s ILE 191 CO 0.00 0.54 0.31 -1.81 0.00 0.00 0.00 174.94 173.97 3ir8 s ASP 192 N 0.37 6.45 0.05 3.58 1.01 0.40 -1.30 116.67 127.23 3ir8 s ASP 192 Ca -0.18 0.52 0.03 0.00 0.71 0.00 0.00 52.55 53.63 3ir8 s ASP 192 Cb -0.18 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.54 3ir8 s ASP 192 CO 0.08 0.08 -0.10 -0.13 0.21 0.00 0.00 175.17 175.31 3ir8 s ARG 193 N 0.54 0.64 -0.08 8.23 0.52 0.22 -1.24 118.95 127.78 3ir8 s ARG 193 Ca 0.17 -0.83 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 3ir8 s ARG 193 Cb -0.13 -0.51 0.02 0.00 0.52 0.00 0.00 34.95 34.85 3ir8 s ARG 193 CO 0.04 0.10 -0.07 0.21 0.02 0.00 0.00 175.30 175.61 3ir8 s LYS 194 N -1.62 1.33 -0.12 3.54 2.20 -0.47 -1.48 119.74 123.13 3ir8 s LYS 194 Ca -0.07 -0.22 0.03 0.00 -0.36 0.00 0.00 55.97 55.35 3ir8 s LYS 194 Cb -0.10 -1.33 0.00 0.00 -1.51 0.00 0.00 37.83 34.90 3ir8 s LYS 194 CO 0.01 -0.16 -0.22 -1.17 -0.36 0.00 0.00 175.35 173.45 3ir8 s LEU 195 N 1.32 2.15 0.04 5.43 2.96 -1.26 -1.75 118.68 127.57 3ir8 s LEU 195 Ca -0.03 -0.55 0.05 0.00 -0.22 0.00 0.00 54.13 53.38 3ir8 s LEU 195 Cb -0.14 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 3ir8 s LEU 195 CO -0.03 0.13 -0.15 -1.81 -1.32 0.00 0.00 176.35 173.17 3ir8 s ASP 196 N 0.50 1.82 -0.03 3.68 1.01 0.24 -4.58 116.67 119.32 3ir8 s ASP 196 Ca -0.14 -0.48 -0.25 0.00 0.71 0.00 0.00 52.55 52.39 3ir8 s ASP 196 Cb -0.17 -0.12 -0.04 0.00 1.01 0.00 0.00 42.92 43.60 3ir8 s ASP 196 CO 0.05 0.05 0.76 -0.69 0.21 0.00 0.00 175.17 175.55 3ir8 s VAL 197 N -0.85 4.94 -0.31 -1.27 1.01 -1.26 -0.83 120.40 121.82 3ir8 s VAL 197 Ca 0.03 1.58 0.08 0.00 0.00 0.00 0.00 61.98 63.66 3ir8 s VAL 197 Cb -0.08 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 3ir8 s VAL 197 CO 0.01 0.27 0.31 0.35 0.00 0.00 0.00 175.10 176.04 3ir8 n THR 198 N 3.54 0.00 -3.60 3.92 -2.24 0.26 -4.94 114.28 111.21 3ir8 n THR 198 Ca -0.01 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 3ir8 n THR 198 Cb 0.51 0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 69.58 3ir8 n THR 198 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ir8 s SER 199 N -1.90 -0.56 -0.18 3.42 0.15 -1.18 -4.95 113.70 108.50 3ir8 s SER 199 Ca 0.02 0.92 -0.28 0.00 0.70 0.00 0.00 55.95 57.31 3ir8 s SER 199 Cb 0.06 0.88 0.10 0.00 -1.71 0.00 0.00 66.02 65.34 3ir8 s SER 199 CO 0.32 -0.30 0.85 -1.38 1.20 0.00 0.00 173.24 173.93 3ir8 s HIS 200 N -0.24 -0.58 0.67 3.44 -3.43 -1.26 -1.31 115.29 112.58 3ir8 s HIS 200 Ca -0.01 1.21 -0.11 0.00 -0.80 0.00 0.00 55.06 55.35 3ir8 s HIS 200 Cb -0.03 0.37 0.15 0.00 -1.43 0.00 0.00 32.58 31.65 3ir8 s HIS 200 CO 0.00 -0.40 0.88 0.27 -2.00 0.00 0.00 174.74 173.49 3ir8 n ASN 201 N 1.59 -0.03 0.16 7.38 0.23 -0.46 -4.94 115.26 119.19 3ir8 n ASN 201 Ca -0.14 -1.30 0.01 0.00 -0.53 0.00 0.00 54.58 52.62 3ir8 n ASN 201 Cb 0.56 -0.68 0.33 0.00 -2.08 0.00 0.00 39.78 37.91 3ir8 n ASN 201 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 3ir8 h ARG 202 N 0.00 0.07 -0.09 -3.83 2.43 -2.03 -2.84 114.38 108.10 3ir8 h ARG 202 Ca -0.29 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.84 3ir8 h ARG 202 Cb 0.80 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 3ir8 h ARG 202 CO 0.20 0.43 -0.05 -0.40 -1.51 0.00 0.00 179.97 178.64 3ir8 n ASP 203 N -4.09 2.69 -3.09 -3.80 5.68 -1.26 -4.96 116.55 107.71 3ir8 n ASP 203 Ca -0.02 -3.20 -0.22 0.00 -0.50 0.00 0.00 54.79 50.85 3ir8 n ASP 203 Cb 0.41 -0.48 0.03 0.00 -1.14 0.00 0.00 41.12 39.93 3ir8 n ASP 203 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3ir8 n TYR 204 N -1.15 -1.92 0.98 2.11 4.02 -1.07 -4.29 117.16 115.85 3ir8 n TYR 204 Ca 0.19 0.50 0.12 0.00 -0.01 0.00 0.00 57.90 58.69 3ir8 n TYR 204 Cb 0.74 -4.09 0.17 0.00 -0.02 0.00 0.00 39.34 36.13 3ir8 n TYR 204 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3ir8 n THR 205 N -4.36 0.01 -3.99 -0.72 -2.24 -1.26 -4.77 114.28 96.96 3ir8 n THR 205 Ca -0.09 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.46 3ir8 n THR 205 Cb 0.60 0.40 -0.17 0.00 -2.10 0.00 0.00 70.33 69.07 3ir8 n THR 205 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ir8 s SER 206 N -3.04 1.37 -0.01 3.42 0.01 -1.26 -0.46 113.70 113.73 3ir8 s SER 206 Ca 0.10 -0.14 -0.04 0.00 1.31 0.00 0.00 55.95 57.19 3ir8 s SER 206 Cb 0.17 -0.50 -0.00 0.00 0.21 0.00 0.00 66.02 65.90 3ir8 s SER 206 CO 0.74 -0.12 0.08 -0.69 0.41 0.00 0.00 173.24 173.66 3ir8 s VAL 207 N 1.43 0.05 0.12 3.43 1.01 -0.77 -1.35 120.40 124.31 3ir8 s VAL 207 Ca -0.03 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.62 3ir8 s VAL 207 Cb -0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 3ir8 s VAL 207 CO -0.03 -0.23 -0.22 -1.61 0.00 0.00 0.00 175.10 173.01 3ir8 s GLU 208 N -0.74 1.20 0.07 2.72 2.02 -0.42 -0.09 118.70 123.46 3ir8 s GLU 208 Ca -0.08 -1.24 -0.00 0.00 0.02 0.00 0.00 54.97 53.67 3ir8 s GLU 208 Cb -0.05 -1.49 -0.04 0.00 0.10 0.00 0.00 34.13 32.65 3ir8 s GLU 208 CO 0.00 0.34 -0.04 -0.65 0.02 0.00 0.00 175.26 174.94 3ir8 s GLN 209 N -2.06 0.70 0.01 1.61 -0.21 -0.49 -0.58 119.66 118.65 3ir8 s GLN 209 Ca 0.09 -1.27 -0.01 0.00 0.02 0.00 0.00 55.36 54.20 3ir8 s GLN 209 Cb -0.09 0.06 -0.01 0.00 1.00 0.00 0.00 33.01 33.97 3ir8 s GLN 209 CO 0.05 -0.08 -0.01 0.00 -2.12 0.00 0.00 175.29 173.13 3ir8 s GLU 211 N -0.99 0.06 -0.11 0.00 2.12 0.04 -0.59 118.70 119.23 3ir8 s GLU 211 Ca -0.11 -0.02 0.01 0.00 0.36 0.00 0.00 54.97 55.21 3ir8 s GLU 211 Cb -0.07 -0.07 -0.02 0.00 0.26 0.00 0.00 34.13 34.23 3ir8 s GLU 211 CO -0.01 0.01 -0.15 0.42 -0.54 0.00 0.00 175.26 175.00 3ir8 s ILE 212 N 0.03 2.93 -0.03 -3.70 -1.09 -0.72 -1.64 121.20 116.99 3ir8 s ILE 212 Ca -0.00 -0.72 -0.00 0.00 -2.23 0.00 0.00 60.65 57.70 3ir8 s ILE 212 Cb -0.01 -2.20 0.03 0.00 -1.58 0.00 0.00 42.46 38.70 3ir8 s ILE 212 CO -0.00 0.54 0.03 0.00 -1.23 0.00 0.00 174.94 174.28 3ir8 s ALA 213 N 0.11 0.17 -0.07 9.38 0.00 -0.27 -1.37 121.76 129.71 3ir8 s ALA 213 Ca -0.07 0.25 -0.00 0.00 0.00 0.00 0.00 51.96 52.14 3ir8 s ALA 213 Cb -0.15 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.66 3ir8 s ALA 213 CO 0.05 -0.17 -0.03 0.42 0.00 0.00 0.00 175.76 176.03 3ir8 s ILE 214 N 1.26 0.53 0.39 0.00 1.01 -0.38 -1.26 121.20 122.76 3ir8 s ILE 214 Ca -0.07 -0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.37 3ir8 s ILE 214 Cb -0.13 -0.63 -0.10 0.00 0.01 0.00 0.00 42.46 41.61 3ir8 s ILE 214 CO -0.03 0.27 0.88 0.00 0.00 0.00 0.00 174.94 176.05 3ir8 s ALA 215 N 1.58 3.15 0.23 9.38 0.00 0.77 -0.45 121.76 136.41 3ir8 s ALA 215 Ca -0.00 0.28 -0.17 0.00 0.00 0.00 0.00 51.96 52.07 3ir8 s ALA 215 Cb -0.13 -3.02 0.02 0.00 0.00 0.00 0.00 23.12 19.99 3ir8 s ALA 215 CO -0.04 0.20 0.55 -0.98 0.00 0.00 0.00 175.76 175.49 3ir8 s ARG 216 N -3.04 1.51 0.78 0.00 1.70 -0.54 -4.43 118.95 114.93 3ir8 s ARG 216 Ca 0.59 -1.00 -0.12 0.00 -0.47 0.00 0.00 55.73 54.73 3ir8 s ARG 216 Cb -0.10 0.52 0.06 0.00 -0.57 0.00 0.00 34.95 34.87 3ir8 s ARG 216 CO 0.15 -0.65 1.12 -1.01 -1.08 0.00 0.00 175.30 173.83 3ir8 s HIS 217 N -3.92 2.99 -2.00 5.89 3.76 -1.26 -1.01 115.29 119.74 3ir8 s HIS 217 Ca 0.13 1.01 0.08 0.00 -0.15 0.00 0.00 55.06 56.13 3ir8 s HIS 217 Cb -0.02 -3.20 0.49 0.00 1.11 0.00 0.00 32.58 30.96 3ir8 s HIS 217 CO 0.03 -1.64 0.95 0.43 -0.85 0.00 0.00 174.74 173.66