#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iru n PHE 2 N 0.00 0.00 -3.98 2.89 7.35 -1.26 -5.15 117.46 117.31 1iru n PHE 2 Ca 0.00 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.32 1iru n PHE 2 Cb 0.00 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.76 1iru n PHE 2 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1iru s SER 3 N 0.00 6.15 -0.03 -2.13 0.15 -1.26 -4.98 113.70 111.61 1iru s SER 3 Ca 0.00 0.40 0.15 0.00 0.70 0.00 0.00 55.95 57.20 1iru s SER 3 Cb 0.00 -1.95 0.48 0.00 -1.71 0.00 0.00 66.02 62.85 1iru s SER 3 CO 0.00 0.40 1.38 -0.81 1.20 0.00 0.00 173.24 175.42 1iru n PRO 4 N 2.01 2.51 -4.41 5.44 -0.04 -1.26 -4.92 135.00 134.33 1iru n PRO 4 Ca -0.20 -1.94 -0.22 0.00 -0.04 0.00 0.00 63.50 61.10 1iru n PRO 4 Cb 0.55 -1.53 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 1iru n PRO 4 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1iru s TYR 5 N -1.49 2.05 -0.01 0.54 1.51 -1.26 -5.05 117.35 113.63 1iru s TYR 5 Ca 0.36 -0.43 -0.18 0.00 -1.01 0.00 0.00 57.07 55.81 1iru s TYR 5 Cb 0.20 -0.92 0.03 0.00 -0.11 0.00 0.00 41.96 41.16 1iru s TYR 5 CO 0.21 0.55 0.38 0.14 -1.11 0.00 0.00 175.55 175.72 1iru s VAL 6 N -2.58 0.05 -0.31 0.71 -7.23 -1.26 -5.14 120.40 104.64 1iru s VAL 6 Ca 0.26 -0.42 -0.08 0.00 -1.81 0.00 0.00 61.98 59.93 1iru s VAL 6 Cb -0.04 -0.75 0.01 0.00 0.56 0.00 0.00 36.38 36.16 1iru s VAL 6 CO 0.11 -0.23 0.12 0.12 -0.31 0.00 0.00 175.10 174.91 1iru s PHE 7 N -1.56 3.17 -2.62 2.82 5.36 -1.26 -3.94 117.98 119.95 1iru s PHE 7 Ca -0.11 -0.86 0.23 0.00 -0.96 0.00 0.00 56.93 55.23 1iru s PHE 7 Cb -0.03 -2.31 0.11 0.00 -0.34 0.00 0.00 43.02 40.45 1iru s PHE 7 CO 0.04 -0.55 1.19 0.09 -1.46 0.00 0.00 175.22 174.53 1iru n ASN 8 N 4.92 2.63 0.00 6.13 3.02 0.06 -4.47 115.26 127.54 1iru n ASN 8 Ca -0.14 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 1iru n ASN 8 Cb 0.48 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 1iru n ASN 8 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iru n GLY 9 N 1.37 -0.23 0.00 7.41 0.00 -1.25 -2.08 105.19 110.41 1iru n GLY 9 Ca 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1iru n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iru n GLY 10 N 0.00 -1.79 3.61 -0.02 0.00 -1.26 -3.93 105.19 101.81 1iru n GLY 10 Ca 0.00 -1.23 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 1iru n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iru s THR 11 N -1.53 2.80 -0.02 2.61 2.01 -1.26 -3.63 115.64 116.62 1iru s THR 11 Ca 0.00 -2.02 -0.00 0.00 0.31 0.00 0.00 61.69 59.98 1iru s THR 11 Cb 0.00 -2.73 0.02 0.00 0.01 0.00 0.00 72.50 69.80 1iru s THR 11 CO 0.00 -0.27 0.03 -0.63 -0.69 0.00 0.00 174.62 173.06 1iru s ILE 12 N -2.47 -0.04 0.07 1.82 1.01 0.40 -3.26 121.20 118.73 1iru s ILE 12 Ca 0.33 0.13 0.05 0.00 0.00 0.00 0.00 60.65 61.16 1iru s ILE 12 Cb -0.02 -0.07 -0.03 0.00 0.01 0.00 0.00 42.46 42.35 1iru s ILE 12 CO 0.19 0.05 -0.13 -0.22 0.00 0.00 0.00 174.94 174.83 1iru s LEU 13 N 0.66 2.29 -0.20 2.97 2.96 0.25 -0.41 118.68 127.21 1iru s LEU 13 Ca -0.05 -0.63 -0.20 0.00 -0.22 0.00 0.00 54.13 53.02 1iru s LEU 13 Cb -0.08 -0.45 0.05 0.00 0.50 0.00 0.00 46.19 46.21 1iru s LEU 13 CO -0.02 -0.11 0.56 0.00 -1.32 0.00 0.00 176.35 175.46 1iru s ALA 14 N -1.42 -1.39 0.05 5.97 0.00 -0.40 0.65 121.76 125.22 1iru s ALA 14 Ca -0.02 1.54 0.04 0.00 0.00 0.00 0.00 51.96 53.51 1iru s ALA 14 Cb -0.09 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 1iru s ALA 14 CO 0.02 -0.27 -0.11 0.42 0.00 0.00 0.00 175.76 175.82 1iru s ILE 15 N 0.18 0.87 -0.12 0.00 1.09 -0.67 -0.92 121.20 121.62 1iru s ILE 15 Ca -0.01 -1.04 0.03 0.00 -1.10 0.00 0.00 60.65 58.53 1iru s ILE 15 Cb -0.04 -0.84 0.01 0.00 -1.06 0.00 0.00 42.46 40.53 1iru s ILE 15 CO 0.01 -0.17 -0.21 0.00 -0.10 0.00 0.00 174.94 174.47 1iru s ALA 16 N -1.07 2.09 0.51 9.38 0.00 0.22 -0.75 121.76 132.13 1iru s ALA 16 Ca -0.03 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.01 1iru s ALA 16 Cb -0.09 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 22.14 1iru s ALA 16 CO 0.01 0.03 0.33 0.20 0.00 0.00 0.00 175.76 176.33 1iru s GLY 17 N 0.75 2.41 0.20 0.00 0.00 0.18 -4.88 107.32 105.98 1iru s GLY 17 Ca -0.10 -1.35 -0.21 0.00 0.00 0.00 0.00 44.72 43.06 1iru s GLY 17 CO 0.01 -1.94 1.56 0.83 0.00 0.00 0.00 173.10 173.56 1iru h GLU 18 N 0.94 -0.08 0.00 2.90 4.39 -1.93 -2.69 114.58 118.11 1iru h GLU 18 Ca -0.39 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.27 1iru h GLU 18 Cb 1.29 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.87 1iru h GLU 18 CO 0.61 -0.06 -0.63 -0.40 -1.16 0.00 0.00 179.01 177.38 1iru n ASP 19 N -5.44 1.54 -3.47 1.42 3.85 -1.26 -2.95 116.55 110.25 1iru n ASP 19 Ca 0.06 -3.45 -0.13 0.00 -0.71 0.00 0.00 54.79 50.56 1iru n ASP 19 Cb 0.37 -0.48 -0.03 0.00 -1.35 0.00 0.00 41.12 39.63 1iru n ASP 19 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 1iru s PHE 20 N -2.47 -0.54 -0.01 2.11 -0.12 -1.18 -4.51 117.98 111.26 1iru s PHE 20 Ca 0.37 0.57 0.02 0.00 -0.05 0.00 0.00 56.93 57.84 1iru s PHE 20 Cb 0.37 0.51 -0.00 0.00 -0.63 0.00 0.00 43.02 43.27 1iru s PHE 20 CO -0.09 -0.71 -0.07 0.00 -0.05 0.00 0.00 175.22 174.29 1iru s ALA 21 N -2.76 0.64 -0.04 1.99 0.00 -0.45 0.47 121.76 121.60 1iru s ALA 21 Ca -0.02 -0.30 0.07 0.00 0.00 0.00 0.00 51.96 51.71 1iru s ALA 21 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1iru s ALA 21 CO -0.05 0.14 -0.25 0.42 0.00 0.00 0.00 175.76 176.02 1iru s ILE 22 N -0.06 2.14 -0.14 0.00 1.01 0.07 -0.52 121.20 123.70 1iru s ILE 22 Ca 0.01 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.59 1iru s ILE 22 Cb -0.04 -1.76 0.04 0.00 0.01 0.00 0.00 42.46 40.71 1iru s ILE 22 CO -0.00 0.58 -0.02 -0.69 0.00 0.00 0.00 174.94 174.80 1iru s VAL 23 N -0.46 0.77 0.14 2.92 1.01 -0.32 -1.67 120.40 122.79 1iru s VAL 23 Ca 0.05 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.75 1iru s VAL 23 Cb -0.11 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1iru s VAL 23 CO 0.01 0.12 -0.17 0.00 0.00 0.00 0.00 175.10 175.05 1iru s ALA 24 N 1.79 1.83 -0.05 5.51 0.00 0.21 -1.16 121.76 129.89 1iru s ALA 24 Ca 0.02 -1.40 -0.29 0.00 0.00 0.00 0.00 51.96 50.29 1iru s ALA 24 Cb -0.14 -0.16 0.07 0.00 0.00 0.00 0.00 23.12 22.88 1iru s ALA 24 CO -0.07 0.22 0.64 -1.54 0.00 0.00 0.00 175.76 175.01 1iru s SER 25 N -2.49 -0.61 1.09 0.00 1.04 -1.08 0.85 113.70 112.50 1iru s SER 25 Ca 0.12 0.67 -0.08 0.00 0.48 0.00 0.00 55.95 57.15 1iru s SER 25 Cb -0.06 0.54 0.11 0.00 0.10 0.00 0.00 66.02 66.71 1iru s SER 25 CO 0.05 -0.58 0.41 -0.90 0.98 0.00 0.00 173.24 173.19 1iru n ASP 26 N 0.99 -1.36 -0.10 7.02 5.68 -1.20 -2.27 116.55 125.31 1iru n ASP 26 Ca -0.19 -0.76 0.03 0.00 -0.50 0.00 0.00 54.79 53.37 1iru n ASP 26 Cb 0.57 -0.37 0.04 0.00 -1.14 0.00 0.00 41.12 40.22 1iru n ASP 26 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1iru n THR 27 N -3.35 0.88 -3.15 2.12 -2.24 -0.86 -4.14 114.28 103.54 1iru n THR 27 Ca 0.06 -0.98 -0.39 0.00 -2.27 0.00 0.00 64.05 60.46 1iru n THR 27 Cb 0.22 0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 1iru n THR 27 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1iru s ARG 28 N -1.15 4.37 -0.24 -0.78 3.52 -1.26 0.80 118.95 124.22 1iru s ARG 28 Ca 0.09 0.77 0.01 0.00 -0.13 0.00 0.00 55.73 56.46 1iru s ARG 28 Cb 0.08 -3.39 0.04 0.00 -1.56 0.00 0.00 34.95 30.12 1iru s ARG 28 CO 0.01 0.24 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.45 1iru s LEU 29 N 0.25 3.09 0.43 -0.88 2.96 -0.81 -4.31 118.68 119.41 1iru s LEU 29 Ca 0.33 -1.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.21 1iru s LEU 29 Cb -0.18 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 1iru s LEU 29 CO 0.17 -0.13 0.10 -0.94 -1.32 0.00 0.00 176.35 174.23 1iru s SER 30 N 1.22 3.09 -0.29 3.68 1.04 -0.88 0.11 113.70 121.65 1iru s SER 30 Ca -0.03 -1.66 -0.14 0.00 0.48 0.00 0.00 55.95 54.61 1iru s SER 30 Cb -0.17 0.48 0.14 0.00 0.10 0.00 0.00 66.02 66.56 1iru s SER 30 CO -0.07 -0.90 0.84 -0.70 0.98 0.00 0.00 173.24 173.40 1iru s GLU 31 N -3.75 0.46 7.57 4.02 2.12 -0.92 -4.07 118.70 124.14 1iru s GLU 31 Ca 0.20 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.54 1iru s GLU 31 Cb 0.03 0.43 0.00 0.00 0.26 0.00 0.00 34.13 34.85 1iru s GLU 31 CO 0.12 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 1iru n GLY 32 N 4.72 2.12 0.22 -1.50 0.00 -1.26 -2.17 105.19 107.31 1iru n GLY 32 Ca -0.14 -0.43 0.09 0.00 0.00 0.00 0.00 46.02 45.54 1iru n GLY 32 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iru n PHE 33 N 12.31 0.07 -4.26 1.61 3.01 -1.26 -5.04 117.46 123.90 1iru n PHE 33 Ca 0.00 -1.09 -0.27 0.00 1.01 0.00 0.00 57.45 57.11 1iru n PHE 33 Cb 0.00 -0.18 -0.07 0.00 -0.01 0.00 0.00 39.48 39.22 1iru n PHE 33 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1iru s SER 34 N -2.88 4.34 -0.15 4.37 0.01 -0.92 -5.13 113.70 113.33 1iru s SER 34 Ca 0.34 -1.24 0.02 0.00 1.31 0.00 0.00 55.95 56.37 1iru s SER 34 Cb 0.30 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 66.40 1iru s SER 34 CO 0.02 -0.68 -0.21 -0.63 0.41 0.00 0.00 173.24 172.15 1iru s ILE 35 N -2.69 2.01 -0.08 1.44 1.01 -1.26 -2.16 121.20 119.47 1iru s ILE 35 Ca 0.33 -0.94 -0.27 0.00 0.00 0.00 0.00 60.65 59.77 1iru s ILE 35 Cb 0.03 -1.80 -0.23 0.00 0.01 0.00 0.00 42.46 40.47 1iru s ILE 35 CO 0.18 0.54 1.02 0.45 0.00 0.00 0.00 174.94 177.13 1iru h HIS 36 N 7.56 0.04 -2.69 3.97 3.86 0.40 -3.48 115.15 124.81 1iru h HIS 36 Ca -0.37 -0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 58.74 1iru h HIS 36 Cb 1.17 -0.01 -0.18 0.00 1.06 0.00 0.00 27.41 29.46 1iru h HIS 36 CO 0.47 0.78 -0.03 -0.08 0.86 0.00 0.00 177.93 179.93 1iru s THR 37 N -3.21 0.03 -0.64 2.45 -1.32 -1.03 -5.03 115.64 106.89 1iru s THR 37 Ca -0.17 -0.28 0.23 0.00 -1.21 0.00 0.00 61.69 60.26 1iru s THR 37 Cb -0.00 -0.89 -0.09 0.00 -1.51 0.00 0.00 72.50 70.00 1iru s THR 37 CO 0.69 -0.15 1.08 0.54 -2.21 0.00 0.00 174.62 174.56 1iru n ARG 38 N 0.75 0.27 -3.55 7.08 1.74 -1.26 -1.92 116.66 119.75 1iru n ARG 38 Ca -0.19 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.57 1iru n ARG 38 Cb 0.58 -1.60 -0.07 0.00 -1.02 0.00 0.00 32.46 30.36 1iru n ARG 38 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1iru n ASP 39 N -1.95 4.14 -3.22 0.55 2.03 -1.23 -4.15 116.55 112.72 1iru n ASP 39 Ca 0.02 -3.27 -0.22 0.00 0.52 0.00 0.00 54.79 51.84 1iru n ASP 39 Cb 0.43 -0.92 -0.07 0.00 -0.72 0.00 0.00 41.12 39.84 1iru n ASP 39 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1iru n SER 40 N 1.72 -0.85 -4.77 1.67 2.88 0.24 -5.04 113.62 109.48 1iru n SER 40 Ca 0.24 -2.57 -0.37 0.00 -1.33 0.00 0.00 58.87 54.84 1iru n SER 40 Cb 0.37 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1iru n SER 40 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1iru s PRO 41 N -0.11 3.57 -0.03 -1.46 0.04 -1.26 -4.30 135.00 131.45 1iru s PRO 41 Ca 0.33 1.88 0.18 0.00 0.04 0.00 0.00 61.00 63.44 1iru s PRO 41 Cb 0.08 -2.34 0.58 0.00 0.04 0.00 0.00 34.50 32.85 1iru s PRO 41 CO -0.16 -0.73 1.48 1.63 0.04 0.00 0.00 177.00 179.25 1iru n LYS 42 N -0.67 2.72 -3.80 4.56 4.76 -1.26 -4.91 118.16 119.56 1iru n LYS 42 Ca 0.08 -2.32 -0.36 0.00 -2.87 0.00 0.00 58.31 52.84 1iru n LYS 42 Cb 0.47 -1.58 -0.07 0.00 -1.84 0.00 0.00 35.03 32.01 1iru n LYS 42 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1iru s TYR 44 N -0.29 -0.00 -0.20 0.00 5.04 0.14 -5.00 117.35 117.05 1iru s TYR 44 Ca 0.11 0.02 -0.26 0.00 -2.44 0.00 0.00 57.07 54.50 1iru s TYR 44 Cb -0.11 -0.01 -0.01 0.00 0.35 0.00 0.00 41.96 42.18 1iru s TYR 44 CO 0.01 -0.01 0.87 -1.59 -1.34 0.00 0.00 175.55 173.50 1iru s LYS 45 N 0.06 4.27 -0.24 4.97 -2.85 -1.26 -0.92 119.74 123.77 1iru s LYS 45 Ca -0.00 1.07 -0.15 0.00 -1.00 0.00 0.00 55.97 55.88 1iru s LYS 45 Cb -0.01 -3.60 -0.16 0.00 -2.06 0.00 0.00 37.83 31.99 1iru s LYS 45 CO -0.00 -0.43 -0.05 1.28 0.10 0.00 0.00 175.35 176.25 1iru n LEU 46 N 5.61 2.05 0.00 2.77 4.77 0.36 -4.98 117.00 127.59 1iru n LEU 46 Ca 0.06 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1iru n LEU 46 Cb 0.48 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1iru n LEU 46 CO 0.49 0.51 0.00 0.35 -1.33 0.00 0.00 177.39 177.40 1iru n THR 47 N -4.19 0.00 1.21 -5.08 -2.24 -0.92 -4.99 114.28 98.08 1iru n THR 47 Ca -0.43 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.48 1iru n THR 47 Cb 0.82 0.00 0.66 0.00 -2.10 0.00 0.00 70.33 69.71 1iru n THR 47 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1iru n ASP 48 N -1.87 0.00 -1.12 3.42 8.00 -1.26 -3.66 116.55 120.05 1iru n ASP 48 Ca 0.00 -0.02 0.01 0.00 0.71 0.00 0.00 54.79 55.49 1iru n ASP 48 Cb 0.00 -0.31 -0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1iru n ASP 48 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1iru n LYS 49 N -1.31 0.00 -3.63 -1.24 2.85 -1.26 -4.49 118.16 109.08 1iru n LYS 49 Ca 0.12 -1.46 -0.11 0.00 -1.05 0.00 0.00 58.31 55.81 1iru n LYS 49 Cb 0.22 -0.02 -0.11 0.00 -0.65 0.00 0.00 35.03 34.48 1iru n LYS 49 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1iru s THR 50 N 0.00 -0.55 0.02 0.58 2.01 -1.24 -1.81 115.64 114.65 1iru s THR 50 Ca 0.18 0.18 0.08 0.00 0.31 0.00 0.00 61.69 62.45 1iru s THR 50 Cb 0.21 -0.59 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 1iru s THR 50 CO -0.09 0.07 -0.24 -0.69 -0.69 0.00 0.00 174.62 172.97 1iru s VAL 51 N 2.52 1.92 0.03 3.82 1.01 0.65 -0.49 120.40 129.87 1iru s VAL 51 Ca 0.01 -1.20 0.06 0.00 0.00 0.00 0.00 61.98 60.85 1iru s VAL 51 Cb -0.12 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1iru s VAL 51 CO -0.11 0.38 -0.18 -0.51 0.00 0.00 0.00 175.10 174.68 1iru s ILE 52 N -0.71 1.41 -0.05 2.22 2.07 -0.10 0.46 121.20 126.50 1iru s ILE 52 Ca 0.10 -1.02 0.05 0.00 -1.41 0.00 0.00 60.65 58.37 1iru s ILE 52 Cb -0.09 -1.23 -0.00 0.00 0.13 0.00 0.00 42.46 41.26 1iru s ILE 52 CO 0.01 0.18 -0.20 -0.83 -1.91 0.00 0.00 174.94 172.19 1iru s GLY 53 N -0.98 1.07 -0.05 1.50 0.00 0.09 -0.68 107.32 108.27 1iru s GLY 53 Ca 0.05 -0.82 0.03 0.00 0.00 0.00 0.00 44.72 43.98 1iru s GLY 53 CO 0.01 -0.44 -0.13 0.00 0.00 0.00 0.00 173.10 172.54 1iru s SER 55 N 0.43 1.73 0.00 0.00 1.04 -0.87 -4.77 113.70 111.26 1iru s SER 55 Ca -0.10 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1iru s SER 55 Cb -0.14 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1iru s SER 55 CO 0.03 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1iru n GLY 56 N 0.16 0.92 3.52 7.32 0.00 -1.25 -0.82 105.19 115.05 1iru n GLY 56 Ca -0.13 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1iru n GLY 56 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iru s PHE 57 N 0.00 3.22 0.52 1.61 5.36 -0.63 -0.76 117.98 127.29 1iru s PHE 57 Ca 0.00 -0.19 0.18 0.00 -0.96 0.00 0.00 56.93 55.96 1iru s PHE 57 Cb 0.00 -2.60 1.32 0.00 -0.34 0.00 0.00 43.02 41.40 1iru s PHE 57 CO 0.00 -0.44 2.14 1.25 -1.46 0.00 0.00 175.22 176.71 1iru h HIS 58 N 8.51 0.00 -0.73 10.12 -0.00 -1.88 -1.49 115.15 129.68 1iru h HIS 58 Ca -0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.07 1iru h HIS 58 Cb 1.14 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.52 1iru h HIS 58 CO 0.66 0.04 0.44 0.78 -0.00 0.00 0.00 177.93 179.85 1iru h GLY 59 N 0.12 1.06 1.18 5.26 0.00 -1.93 -1.14 103.07 107.62 1iru h GLY 59 Ca -0.00 -0.44 -0.24 0.00 0.00 0.00 0.00 47.33 46.65 1iru h GLY 59 CO 0.00 0.43 -0.89 -0.55 0.00 0.00 0.00 176.54 175.53 1iru h ASP 60 N 1.00 0.93 -0.58 0.19 3.32 -1.64 -2.72 116.42 116.92 1iru h ASP 60 Ca 0.26 -0.68 0.04 0.00 0.02 0.00 0.00 57.03 56.67 1iru h ASP 60 Cb -0.04 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.19 1iru h ASP 60 CO -0.05 1.47 0.33 0.00 -1.72 0.00 0.00 179.24 179.27 1iru h LEU 62 N 0.64 -0.05 -0.39 0.00 3.38 -1.23 0.66 115.31 118.32 1iru h LEU 62 Ca 0.24 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1iru h LEU 62 Cb 0.08 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1iru h LEU 62 CO -0.13 -0.01 0.17 0.74 0.09 0.00 0.00 178.44 179.30 1iru h THR 63 N -0.09 1.18 -0.22 0.22 2.02 -1.13 -2.08 112.91 112.82 1iru h THR 63 Ca -0.01 -0.54 0.01 0.00 0.77 0.00 0.00 66.41 66.65 1iru h THR 63 Cb 0.07 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1iru h THR 63 CO 0.01 0.20 0.11 0.25 0.37 0.00 0.00 175.52 176.46 1iru h LEU 64 N 0.49 0.16 -0.33 2.58 5.85 -0.03 -1.45 115.31 122.58 1iru h LEU 64 Ca 0.13 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1iru h LEU 64 Cb 0.15 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 1iru h LEU 64 CO -0.01 0.13 -0.11 0.74 -0.34 0.00 0.00 178.44 178.84 1iru h THR 65 N 0.23 0.62 0.00 1.05 2.02 -0.64 0.70 112.91 116.88 1iru h THR 65 Ca 0.09 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.22 1iru h THR 65 Cb 0.02 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1iru h THR 65 CO -0.06 0.00 -0.21 0.11 0.37 0.00 0.00 175.52 175.73 1iru h LYS 66 N -0.03 0.00 -0.10 6.66 1.57 -1.01 -1.52 116.57 122.14 1iru h LYS 66 Ca 0.16 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1iru h LYS 66 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1iru h LYS 66 CO -0.36 0.21 -0.21 0.82 -0.57 0.00 0.00 179.45 179.35 1iru h ILE 67 N 0.00 1.39 -0.21 1.86 2.04 -0.05 -2.56 117.51 119.98 1iru h ILE 67 Ca -0.00 -1.50 0.04 0.00 1.00 0.00 0.00 64.86 64.40 1iru h ILE 67 Cb 0.39 2.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 1iru h ILE 67 CO 0.03 0.43 -0.01 0.40 0.00 0.00 0.00 178.15 179.00 1iru h ILE 68 N -0.13 0.84 -0.24 -0.67 2.04 -0.55 -1.21 117.51 117.58 1iru h ILE 68 Ca 0.00 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 65.91 1iru h ILE 68 Cb 0.80 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 1iru h ILE 68 CO 0.05 0.01 -0.25 -0.33 0.00 0.00 0.00 178.15 177.63 1iru h GLU 69 N 0.06 -0.25 -0.41 2.37 5.08 -1.27 -1.42 114.58 118.74 1iru h GLU 69 Ca 0.10 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1iru h GLU 69 Cb 0.13 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1iru h GLU 69 CO -0.18 -0.16 0.20 0.00 -1.00 0.00 0.00 179.01 177.87 1iru h ALA 70 N 0.78 0.50 0.00 3.43 0.00 -1.23 -2.53 119.26 120.20 1iru h ALA 70 Ca 0.14 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1iru h ALA 70 Cb 0.47 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1iru h ALA 70 CO -0.39 -0.16 -0.10 0.00 0.00 0.00 0.00 179.25 178.60 1iru h ARG 71 N 0.41 0.00 -0.24 0.00 3.08 -0.34 -1.47 114.38 115.82 1iru h ARG 71 Ca 0.17 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.12 1iru h ARG 71 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1iru h ARG 71 CO -0.12 0.10 -0.27 -0.07 -1.07 0.00 0.00 179.97 178.54 1iru h LEU 72 N 0.00 0.64 -0.67 3.04 3.38 -0.88 -1.60 115.31 119.22 1iru h LEU 72 Ca -0.00 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.53 1iru h LEU 72 Cb 0.22 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1iru h LEU 72 CO 0.01 1.00 0.38 0.11 0.09 0.00 0.00 178.44 180.04 1iru h LYS 73 N 0.30 0.70 -0.25 1.13 1.57 -1.00 -0.20 116.57 118.82 1iru h LYS 73 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1iru h LYS 73 Cb 0.83 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1iru h LYS 73 CO 0.06 0.46 0.16 0.52 -0.57 0.00 0.00 179.45 180.09 1iru h MET 74 N 0.72 0.33 -0.71 3.15 2.86 -1.19 -0.94 114.93 119.15 1iru h MET 74 Ca 0.29 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.97 1iru h MET 74 Cb 0.14 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.68 1iru h MET 74 CO -0.16 0.24 0.41 -0.92 1.06 0.00 0.00 176.91 177.53 1iru h TYR 75 N 0.32 0.75 0.08 -0.22 3.20 -0.69 -0.31 116.97 120.11 1iru h TYR 75 Ca 0.09 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1iru h TYR 75 Cb -0.02 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.02 1iru h TYR 75 CO -0.05 0.37 -0.04 -0.22 -1.64 0.00 0.00 178.16 176.58 1iru h LYS 76 N 0.75 -0.10 -0.72 1.82 3.64 -0.51 0.26 116.57 121.71 1iru h LYS 76 Ca 0.31 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.73 1iru h LYS 76 Cb 0.18 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 1iru h LYS 76 CO -0.18 0.01 0.47 0.45 -2.27 0.00 0.00 179.45 177.94 1iru h HIS 77 N -0.18 0.86 0.01 1.91 3.86 -0.81 0.23 115.15 121.03 1iru h HIS 77 Ca -0.01 0.02 -0.23 0.00 -1.16 0.00 0.00 60.37 58.99 1iru h HIS 77 Cb 0.15 -0.29 0.02 0.00 1.06 0.00 0.00 27.41 28.35 1iru h HIS 77 CO -0.05 0.51 -0.90 1.03 0.86 0.00 0.00 177.93 179.39 1iru h SER 78 N 0.90 0.77 -0.01 2.45 0.87 -0.67 -3.37 113.55 114.49 1iru h SER 78 Ca 0.28 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1iru h SER 78 Cb 0.00 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 1iru h SER 78 CO -0.07 1.43 -0.01 0.59 -0.53 0.00 0.00 176.83 178.24 1iru n ASN 79 N -3.98 1.73 -0.42 6.23 4.13 0.87 -5.00 115.26 118.82 1iru n ASN 79 Ca -0.11 -1.36 -0.05 0.00 1.68 0.00 0.00 54.58 54.73 1iru n ASN 79 Cb 0.82 0.01 -0.02 0.00 -1.54 0.00 0.00 39.78 39.05 1iru n ASN 79 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1iru n ASN 80 N 0.48 -4.68 -4.14 6.41 3.02 0.80 -4.98 115.26 112.17 1iru n ASN 80 Ca 0.05 0.14 -0.10 0.00 -0.03 0.00 0.00 54.58 54.63 1iru n ASN 80 Cb 0.22 -2.66 -0.09 0.00 -0.61 0.00 0.00 39.78 36.64 1iru n ASN 80 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1iru s LYS 81 N -2.01 1.08 0.57 3.52 -2.85 -1.25 -5.04 119.74 113.75 1iru s LYS 81 Ca 0.00 -1.47 -0.07 0.00 -1.00 0.00 0.00 55.97 53.42 1iru s LYS 81 Cb 0.00 0.28 -0.02 0.00 -2.06 0.00 0.00 37.83 36.03 1iru s LYS 81 CO 0.00 -0.34 0.91 0.00 0.10 0.00 0.00 175.35 176.01 1iru s ALA 82 N -4.08 3.25 0.05 0.59 0.00 -1.26 -3.85 121.76 116.46 1iru s ALA 82 Ca 0.29 -0.45 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 1iru s ALA 82 Cb 0.06 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 1iru s ALA 82 CO 0.06 -0.65 0.94 -1.64 0.00 0.00 0.00 175.76 174.47 1iru s MET 83 N -4.98 4.61 0.37 0.00 -1.94 -1.26 -5.02 119.30 111.08 1iru s MET 83 Ca 0.52 1.38 -0.26 0.00 -1.71 0.00 0.00 55.69 55.62 1iru s MET 83 Cb -0.11 -3.42 -0.09 0.00 2.01 0.00 0.00 34.83 33.23 1iru s MET 83 CO 0.48 0.10 1.09 0.95 -0.01 0.00 0.00 175.02 177.62 1iru s THR 84 N 0.48 3.53 0.36 2.05 -4.23 -1.26 -4.80 115.64 111.76 1iru s THR 84 Ca 0.48 1.29 0.17 0.00 -1.18 0.00 0.00 61.69 62.45 1iru s THR 84 Cb -0.22 -3.72 0.35 0.00 1.34 0.00 0.00 72.50 70.25 1iru s THR 84 CO 0.28 0.12 1.60 0.74 -0.54 0.00 0.00 174.62 176.82 1iru h THR 85 N 2.45 0.09 -0.49 3.99 2.02 -1.88 0.38 112.91 119.48 1iru h THR 85 Ca -0.48 -0.03 -0.11 0.00 0.77 0.00 0.00 66.41 66.56 1iru h THR 85 Cb 1.22 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1iru h THR 85 CO 0.63 0.02 -0.14 1.23 0.37 0.00 0.00 175.52 177.64 1iru h GLY 86 N 0.10 1.00 1.30 2.16 0.00 -1.90 -2.19 103.07 103.54 1iru h GLY 86 Ca 0.79 -0.80 -0.17 0.00 0.00 0.00 0.00 47.33 47.14 1iru h GLY 86 CO -0.73 0.74 -0.54 0.00 0.00 0.00 0.00 176.54 176.00 1iru h ALA 87 N 1.02 0.58 -0.69 3.60 0.00 -0.66 -1.48 119.26 121.63 1iru h ALA 87 Ca 0.13 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1iru h ALA 87 Cb 0.67 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1iru h ALA 87 CO 0.05 0.68 0.44 0.82 0.00 0.00 0.00 179.25 181.24 1iru h ILE 88 N 0.57 1.12 -0.70 0.00 2.04 -1.16 0.11 117.51 119.48 1iru h ILE 88 Ca 0.01 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1iru h ILE 88 Cb 1.12 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1iru h ILE 88 CO 0.11 0.16 0.29 0.00 0.00 0.00 0.00 178.15 178.71 1iru h ALA 89 N 1.28 0.91 -0.63 1.87 0.00 -1.20 0.11 119.26 121.60 1iru h ALA 89 Ca 0.27 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1iru h ALA 89 Cb -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1iru h ALA 89 CO -0.09 0.52 0.12 0.00 0.00 0.00 0.00 179.25 179.80 1iru h ALA 90 N 1.14 0.83 0.27 0.00 0.00 -0.62 -2.65 119.26 118.24 1iru h ALA 90 Ca 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1iru h ALA 90 Cb 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1iru h ALA 90 CO -0.02 0.58 -0.13 1.98 0.00 0.00 0.00 179.25 181.65 1iru h MET 91 N 0.94 -0.36 -0.99 0.00 -1.53 -0.45 -2.77 114.93 109.77 1iru h MET 91 Ca 0.19 0.02 0.29 0.00 -3.44 0.00 0.00 59.70 56.77 1iru h MET 91 Cb 0.41 0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 31.50 1iru h MET 91 CO 0.01 -0.08 0.75 1.25 0.14 0.00 0.00 176.91 178.98 1iru h LEU 92 N -0.62 0.00 -0.23 3.39 5.85 -0.70 0.11 115.31 123.10 1iru h LEU 92 Ca -0.04 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1iru h LEU 92 Cb 0.44 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1iru h LEU 92 CO 0.06 0.00 0.00 -1.28 -0.34 0.00 0.00 178.44 176.89 1iru h SER 93 N 0.00 0.40 0.06 1.25 0.87 -1.18 -1.01 113.55 113.94 1iru h SER 93 Ca 0.47 -0.30 -0.14 0.00 -1.23 0.00 0.00 61.79 60.58 1iru h SER 93 Cb 1.96 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.80 1iru h SER 93 CO -0.00 0.61 -0.49 0.71 -0.53 0.00 0.00 176.83 177.13 1iru h THR 94 N 0.19 1.32 -0.66 2.23 1.35 -0.80 -1.06 112.91 115.48 1iru h THR 94 Ca 0.07 -1.70 -0.05 0.00 -0.55 0.00 0.00 66.41 64.17 1iru h THR 94 Cb 0.40 1.71 -0.03 0.00 -1.73 0.00 0.00 68.15 68.50 1iru h THR 94 CO 0.01 0.53 0.21 0.40 -0.25 0.00 0.00 175.52 176.42 1iru h ILE 95 N 0.39 1.25 -0.27 6.82 2.04 -1.07 -1.28 117.51 125.39 1iru h ILE 95 Ca 0.02 -0.85 -0.11 0.00 1.00 0.00 0.00 64.86 64.92 1iru h ILE 95 Cb 0.99 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1iru h ILE 95 CO 0.09 0.33 -0.31 -0.07 0.00 0.00 0.00 178.15 178.19 1iru h LEU 96 N 0.95 0.59 -1.19 1.44 3.38 -1.01 -2.91 115.31 116.56 1iru h LEU 96 Ca 0.21 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1iru h LEU 96 Cb 0.29 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1iru h LEU 96 CO -0.01 0.86 0.00 0.22 0.09 0.00 0.00 178.44 179.60 1iru h TYR 97 N 0.49 0.00 0.00 1.13 3.20 -0.56 -2.82 116.97 118.42 1iru h TYR 97 Ca 0.06 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1iru h TYR 97 Cb 0.78 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 1iru h TYR 97 CO 0.03 0.00 -0.00 0.66 -1.64 0.00 0.00 178.16 177.21 1iru h SER 98 N 0.00 0.00 -0.65 -2.11 4.64 -1.04 -1.57 113.55 112.82 1iru h SER 98 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1iru h SER 98 Cb 0.60 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.54 1iru h SER 98 CO 0.00 0.00 0.25 0.54 -0.87 0.00 0.00 176.83 176.75 1iru n ARG 99 N -3.10 2.77 -0.34 4.77 5.12 -1.06 -4.70 116.66 120.11 1iru n ARG 99 Ca -0.00 -3.07 0.25 0.00 -1.93 0.00 0.00 57.85 53.10 1iru n ARG 99 Cb 0.24 -2.06 0.54 0.00 -1.16 0.00 0.00 32.46 30.02 1iru n ARG 99 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1iru h ARG 100 N 1.71 0.32 -0.66 5.56 9.65 -1.38 0.36 114.38 129.93 1iru h ARG 100 Ca 0.32 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.18 1iru h ARG 100 Cb 2.19 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 30.70 1iru h ARG 100 CO 0.68 0.21 0.00 1.19 2.80 0.00 0.00 179.97 184.85 1iru n PHE 101 N -4.64 0.88 -2.73 2.20 3.01 -1.26 -4.36 117.46 110.55 1iru n PHE 101 Ca 0.28 -0.48 -0.08 0.00 1.01 0.00 0.00 57.45 58.18 1iru n PHE 101 Cb 0.98 -0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.52 1iru n PHE 101 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1iru n PHE 102 N 1.50 -2.86 -1.36 1.38 7.35 -0.04 -5.16 117.46 118.26 1iru n PHE 102 Ca 0.22 -1.83 -0.38 0.00 -0.76 0.00 0.00 57.45 54.70 1iru n PHE 102 Cb 0.60 1.56 0.03 0.00 0.35 0.00 0.00 39.48 42.02 1iru n PHE 102 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1iru n PRO 103 N 0.98 0.28 -2.95 -7.13 -0.02 0.11 -4.76 135.00 121.50 1iru n PRO 103 Ca 0.07 0.11 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 1iru n PRO 103 Cb 0.67 -1.40 -0.05 0.00 -0.02 0.00 0.00 33.50 32.70 1iru n PRO 103 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1iru s TYR 104 N -1.85 3.13 -1.07 6.00 1.51 -1.26 -4.93 117.35 118.88 1iru s TYR 104 Ca 0.63 0.61 -0.23 0.00 -1.01 0.00 0.00 57.07 57.08 1iru s TYR 104 Cb -0.46 -3.36 -0.01 0.00 -0.11 0.00 0.00 41.96 38.02 1iru s TYR 104 CO 0.60 -0.70 1.77 -0.47 -1.11 0.00 0.00 175.55 175.64 1iru s TYR 105 N 3.07 2.21 -0.14 2.71 5.04 -1.26 -4.66 117.35 124.32 1iru s TYR 105 Ca 0.32 -0.21 -0.12 0.00 -2.44 0.00 0.00 57.07 54.62 1iru s TYR 105 Cb -0.13 -4.34 0.04 0.00 0.35 0.00 0.00 41.96 37.87 1iru s TYR 105 CO 0.16 -1.69 0.36 0.08 -1.34 0.00 0.00 175.55 173.11 1iru s VAL 106 N 7.86 -0.00 -0.30 3.14 1.01 -1.26 -1.61 120.40 129.23 1iru s VAL 106 Ca 0.60 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.61 1iru s VAL 106 Cb -0.02 -0.51 0.07 0.00 0.00 0.00 0.00 36.38 35.92 1iru s VAL 106 CO 0.01 0.01 -0.02 -0.31 0.00 0.00 0.00 175.10 174.78 1iru s TYR 107 N 0.35 3.37 0.02 5.22 1.51 0.00 -2.60 117.35 125.22 1iru s TYR 107 Ca -0.01 -2.29 -0.00 0.00 -1.01 0.00 0.00 57.07 53.75 1iru s TYR 107 Cb -0.03 -2.25 -0.04 0.00 -0.11 0.00 0.00 41.96 39.53 1iru s TYR 107 CO -0.01 -0.87 0.12 -0.80 -1.11 0.00 0.00 175.55 172.88 1iru s ASN 108 N 1.18 5.91 -0.06 2.29 0.01 -1.25 -2.05 114.94 120.96 1iru s ASN 108 Ca -0.03 0.18 -0.01 0.00 -0.71 0.00 0.00 52.86 52.29 1iru s ASN 108 Cb -0.20 -1.73 0.03 0.00 0.41 0.00 0.00 41.25 39.75 1iru s ASN 108 CO -0.04 0.23 -0.01 -0.63 -1.51 0.00 0.00 177.10 175.14 1iru s ILE 109 N -1.32 0.39 -0.19 0.60 1.01 -0.24 -1.58 121.20 119.87 1iru s ILE 109 Ca 0.27 0.06 -0.09 0.00 0.00 0.00 0.00 60.65 60.90 1iru s ILE 109 Cb -0.12 -0.52 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 1iru s ILE 109 CO 0.19 0.24 0.10 -0.63 0.00 0.00 0.00 174.94 174.84 1iru s ILE 110 N 1.65 5.10 -0.10 2.92 1.01 0.30 -0.74 121.20 131.35 1iru s ILE 110 Ca 0.00 0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.75 1iru s ILE 110 Cb -0.13 -3.32 0.02 0.00 0.01 0.00 0.00 42.46 39.04 1iru s ILE 110 CO -0.04 0.45 -0.13 -0.83 0.00 0.00 0.00 174.94 174.38 1iru s GLY 111 N 0.40 0.96 0.00 6.18 0.00 0.17 -0.77 107.32 114.26 1iru s GLY 111 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.14 1iru s GLY 111 CO -0.01 0.29 0.00 0.61 0.00 0.00 0.00 173.10 173.99 1iru n GLY 112 N 4.23 1.48 3.39 0.20 0.00 0.29 -0.25 105.19 114.52 1iru n GLY 112 Ca -0.19 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 1iru n GLY 112 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iru s LEU 113 N 0.00 2.41 0.84 0.99 1.43 -0.75 0.14 118.68 123.74 1iru s LEU 113 Ca 0.00 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 1iru s LEU 113 Cb 0.00 -1.46 0.12 0.00 0.03 0.00 0.00 46.19 44.88 1iru s LEU 113 CO 0.00 0.32 1.20 1.51 0.23 0.00 0.00 176.35 179.60 1iru s ASP 114 N -0.59 4.06 0.54 2.29 3.84 0.17 -4.40 116.67 122.57 1iru s ASP 114 Ca 0.09 0.49 0.22 0.00 -0.00 0.00 0.00 52.55 53.35 1iru s ASP 114 Cb -0.11 -0.85 1.42 0.00 -1.38 0.00 0.00 42.92 42.00 1iru s ASP 114 CO 0.00 -2.15 2.11 -0.33 -0.00 0.00 0.00 175.17 174.81 1iru h GLU 115 N -1.17 0.00 0.00 2.11 4.39 -1.99 0.52 114.58 118.44 1iru h GLU 115 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1iru h GLU 115 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1iru h GLU 115 CO 0.54 0.00 0.00 -1.91 -1.16 0.00 0.00 179.01 176.48 1iru n GLU 116 N -4.32 0.79 0.00 2.33 2.13 -1.26 -4.87 120.64 115.44 1iru n GLU 116 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1iru n GLU 116 Cb 0.26 -1.35 0.00 0.00 0.27 0.00 0.00 31.44 30.62 1iru n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1iru n GLY 117 N 0.49 2.53 3.81 8.31 0.00 0.17 -5.04 105.19 115.47 1iru n GLY 117 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1iru n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iru s LYS 118 N -0.43 1.61 0.37 1.61 1.02 -1.26 -4.70 119.74 117.96 1iru s LYS 118 Ca 0.00 0.37 -0.24 0.00 0.02 0.00 0.00 55.97 56.12 1iru s LYS 118 Cb 0.00 -1.89 -0.10 0.00 -0.52 0.00 0.00 37.83 35.32 1iru s LYS 118 CO 0.00 -1.89 0.97 0.20 -0.92 0.00 0.00 175.35 173.71 1iru s GLY 119 N -4.09 2.68 -0.02 -3.33 0.00 -1.02 -0.66 107.32 100.88 1iru s GLY 119 Ca 0.62 0.52 -0.04 0.00 0.00 0.00 0.00 44.72 45.83 1iru s GLY 119 CO 0.53 0.92 0.09 0.00 0.00 0.00 0.00 173.10 174.64 1iru s ALA 120 N -1.78 -0.21 -0.03 3.20 0.00 0.36 -4.72 121.76 118.60 1iru s ALA 120 Ca 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1iru s ALA 120 Cb -0.17 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 22.96 1iru s ALA 120 CO 0.22 -0.12 0.01 0.08 0.00 0.00 0.00 175.76 175.95 1iru s VAL 121 N -0.67 0.09 -0.06 0.00 1.01 -1.25 -0.55 120.40 118.97 1iru s VAL 121 Ca -0.07 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.09 1iru s VAL 121 Cb -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1iru s VAL 121 CO 0.00 0.13 -0.18 -0.31 0.00 0.00 0.00 175.10 174.74 1iru s TYR 122 N 1.09 1.92 0.02 5.22 1.51 0.05 -0.15 117.35 127.02 1iru s TYR 122 Ca -0.09 -0.64 0.05 0.00 -1.01 0.00 0.00 57.07 55.38 1iru s TYR 122 Cb -0.13 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1iru s TYR 122 CO -0.02 -0.25 -0.12 -1.54 -1.11 0.00 0.00 175.55 172.51 1iru s SER 123 N 0.21 4.24 0.12 2.29 1.04 -0.75 -0.54 113.70 120.32 1iru s SER 123 Ca -0.09 -0.28 0.05 0.00 0.48 0.00 0.00 55.95 56.11 1iru s SER 123 Cb -0.14 -0.86 -0.04 0.00 0.10 0.00 0.00 66.02 65.08 1iru s SER 123 CO 0.04 0.27 -0.12 -0.36 0.98 0.00 0.00 173.24 174.05 1iru s PHE 124 N -0.97 1.24 0.35 5.02 0.40 -0.62 -2.76 117.98 120.65 1iru s PHE 124 Ca 0.16 -0.65 0.07 0.00 -0.60 0.00 0.00 56.93 55.92 1iru s PHE 124 Cb -0.11 -0.65 -0.02 0.00 0.51 0.00 0.00 43.02 42.75 1iru s PHE 124 CO 0.07 0.08 0.38 0.16 0.70 0.00 0.00 175.22 176.61 1iru s ASP 125 N -2.65 5.49 0.57 1.36 1.47 -0.66 -3.91 116.67 118.34 1iru s ASP 125 Ca 0.10 -0.43 0.32 0.00 1.18 0.00 0.00 52.55 53.71 1iru s ASP 125 Cb -0.02 -0.96 1.42 0.00 -0.34 0.00 0.00 42.92 43.02 1iru s ASP 125 CO 0.01 -0.46 1.76 1.55 0.68 0.00 0.00 175.17 178.72 1iru h PRO 126 N 1.06 0.00 -0.47 2.11 0.13 -1.77 -1.86 132.00 131.20 1iru h PRO 126 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 1iru h PRO 126 Cb 1.26 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 1iru h PRO 126 CO 0.55 0.00 0.08 1.33 -0.23 0.00 0.00 178.00 179.74 1iru n VAL 127 N -3.84 2.60 -0.12 1.56 0.24 -1.26 -4.27 118.33 113.25 1iru n VAL 127 Ca 0.18 -1.91 0.00 0.00 -2.04 0.00 0.00 64.34 60.57 1iru n VAL 127 Cb 1.06 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 1iru n VAL 127 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iru n GLY 128 N -0.41 0.60 3.72 7.63 0.00 -0.70 -3.60 105.19 112.43 1iru n GLY 128 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 1iru n GLY 128 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iru s SER 129 N -2.75 6.88 0.26 1.61 0.15 -1.26 -4.67 113.70 113.91 1iru s SER 129 Ca 0.00 2.27 -0.12 0.00 0.70 0.00 0.00 55.95 58.79 1iru s SER 129 Cb 0.00 -2.59 -0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1iru s SER 129 CO 0.00 -0.61 0.49 -0.72 1.20 0.00 0.00 173.24 173.59 1iru s TYR 130 N 1.06 0.39 0.24 3.44 -0.85 -1.26 -1.65 117.35 118.72 1iru s TYR 130 Ca 0.63 -0.75 -0.21 0.00 -0.52 0.00 0.00 57.07 56.22 1iru s TYR 130 Cb -0.35 0.20 0.06 0.00 0.38 0.00 0.00 41.96 42.24 1iru s TYR 130 CO 0.30 -1.02 0.92 1.14 -1.52 0.00 0.00 175.55 175.37 1iru s GLN 131 N -3.92 1.58 0.05 -3.49 -2.07 -1.11 -5.00 119.66 105.70 1iru s GLN 131 Ca 0.23 -0.97 0.01 0.00 -1.82 0.00 0.00 55.36 52.80 1iru s GLN 131 Cb -0.01 0.47 -0.04 0.00 -1.09 0.00 0.00 33.01 32.35 1iru s GLN 131 CO 0.10 -0.74 0.14 0.50 -1.32 0.00 0.00 175.29 173.97 1iru s ARG 132 N -2.69 3.19 0.21 9.60 3.52 -1.26 -1.80 118.95 129.71 1iru s ARG 132 Ca 0.16 -0.53 -0.03 0.00 -0.13 0.00 0.00 55.73 55.21 1iru s ARG 132 Cb -0.03 -2.91 -0.03 0.00 -1.56 0.00 0.00 34.95 30.41 1iru s ARG 132 CO 0.06 0.60 0.18 -0.51 -0.81 0.00 0.00 175.30 174.83 1iru s ASP 133 N -2.31 0.13 0.03 -2.12 1.01 0.79 -4.95 116.67 109.24 1iru s ASP 133 Ca 0.31 -1.33 -0.13 0.00 0.71 0.00 0.00 52.55 52.11 1iru s ASP 133 Cb -0.13 0.41 -0.34 0.00 1.01 0.00 0.00 42.92 43.88 1iru s ASP 133 CO 0.23 -0.88 0.98 0.28 0.21 0.00 0.00 175.17 175.99 1iru h SER 134 N 2.56 0.72 -4.97 0.27 0.02 -1.91 -3.32 113.55 106.93 1iru h SER 134 Ca -0.35 -0.81 -0.06 0.00 -0.84 0.00 0.00 61.79 59.73 1iru h SER 134 Cb 1.25 -0.24 -0.19 0.00 0.14 0.00 0.00 62.40 63.36 1iru h SER 134 CO 0.50 1.64 0.16 0.72 -1.14 0.00 0.00 176.83 178.72 1iru s PHE 135 N -2.61 -0.63 -0.10 3.45 -0.12 -1.26 0.70 117.98 117.40 1iru s PHE 135 Ca -0.09 1.10 -0.30 0.00 -0.05 0.00 0.00 56.93 57.59 1iru s PHE 135 Cb 0.05 0.39 0.10 0.00 -0.63 0.00 0.00 43.02 42.93 1iru s PHE 135 CO 0.92 -0.59 0.86 0.21 -0.05 0.00 0.00 175.22 176.57 1iru s LYS 136 N -1.15 0.80 0.03 1.99 2.20 -0.10 -5.00 119.74 118.51 1iru s LYS 136 Ca -0.11 0.16 0.04 0.00 -0.36 0.00 0.00 55.97 55.70 1iru s LYS 136 Cb -0.00 0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 36.67 1iru s LYS 136 CO 0.09 -0.26 -0.12 0.00 -0.36 0.00 0.00 175.35 174.71 1iru s ALA 137 N -1.29 0.98 0.09 3.13 0.00 -1.26 -1.27 121.76 122.13 1iru s ALA 137 Ca -0.05 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1iru s ALA 137 Cb -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1iru s ALA 137 CO 0.04 0.18 -0.04 0.20 0.00 0.00 0.00 175.76 176.13 1iru s GLY 138 N -0.98 0.72 0.00 0.00 0.00 0.46 -4.81 107.32 102.70 1iru s GLY 138 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.39 1iru s GLY 138 CO 0.01 -1.42 0.00 0.61 0.00 0.00 0.00 173.10 172.30 1iru n GLY 139 N -0.01 -0.65 0.16 0.20 0.00 -1.26 -0.46 105.19 103.17 1iru n GLY 139 Ca -0.12 -2.20 -0.14 0.00 0.00 0.00 0.00 46.02 43.56 1iru n GLY 139 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iru h SER 140 N 0.00 -0.28 0.25 1.61 4.64 -1.90 -2.18 113.55 115.70 1iru h SER 140 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iru h SER 140 Cb 0.00 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1iru h SER 140 CO 0.00 -0.19 0.00 0.00 -0.87 0.00 0.00 176.83 175.77 1iru n ALA 141 N -2.24 1.86 -0.27 5.18 0.00 -1.26 -4.07 120.51 119.71 1iru n ALA 141 Ca -0.09 -0.07 -0.06 0.00 0.00 0.00 0.00 53.44 53.22 1iru n ALA 141 Cb 0.15 -1.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.32 1iru n ALA 141 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1iru n SER 142 N -1.26 -0.63 0.00 0.00 2.88 -0.82 0.21 113.62 114.00 1iru n SER 142 Ca 0.07 1.15 0.11 0.00 -1.33 0.00 0.00 58.87 58.87 1iru n SER 142 Cb 0.11 -0.17 0.51 0.00 -0.75 0.00 0.00 64.21 63.91 1iru n SER 142 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iru n ALA 143 N -3.54 2.07 -0.04 -1.46 0.00 -1.26 -2.62 120.51 113.66 1iru n ALA 143 Ca 0.02 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.16 1iru n ALA 143 Cb 0.19 -1.35 -0.13 0.00 0.00 0.00 0.00 19.45 18.16 1iru n ALA 143 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1iru h MET 144 N 0.00 0.15 0.12 0.00 2.86 0.22 -3.41 114.93 114.88 1iru h MET 144 Ca 0.00 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 1iru h MET 144 Cb 0.27 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1iru h MET 144 CO 0.00 1.12 -0.06 -0.07 1.06 0.00 0.00 176.91 178.96 1iru h LEU 145 N -0.47 -0.14 -0.46 1.22 3.38 -1.00 -3.39 115.31 114.45 1iru h LEU 145 Ca -0.35 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.28 1iru h LEU 145 Cb 1.65 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 42.39 1iru h LEU 145 CO -0.04 0.35 -0.27 0.00 0.09 0.00 0.00 178.44 178.57 1iru n GLN 146 N -4.94 -0.20 -0.33 1.13 1.13 -1.08 -2.29 117.38 110.81 1iru n GLN 146 Ca -0.08 1.19 0.15 0.00 -1.94 0.00 0.00 57.00 56.31 1iru n GLN 146 Cb 0.26 -1.76 0.30 0.00 0.11 0.00 0.00 30.24 29.16 1iru n GLN 146 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1iru h PRO 147 N 0.00 0.05 -0.21 -1.09 0.11 -1.78 0.43 132.00 129.50 1iru h PRO 147 Ca 0.07 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.13 1iru h PRO 147 Cb 0.19 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 1iru h PRO 147 CO -0.43 0.03 -0.09 1.25 -0.21 0.00 0.00 178.00 178.55 1iru h LEU 148 N 0.05 0.31 -0.16 2.35 5.85 -1.67 -2.69 115.31 119.34 1iru h LEU 148 Ca 0.60 -0.06 -0.23 0.00 0.84 0.00 0.00 57.88 59.03 1iru h LEU 148 Cb 1.26 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1iru h LEU 148 CO -0.85 0.43 -0.95 -0.07 -0.34 0.00 0.00 178.44 176.67 1iru h LEU 149 N 0.31 0.55 -1.33 2.25 3.38 -0.18 0.18 115.31 120.48 1iru h LEU 149 Ca 0.07 -0.44 0.05 0.00 0.09 0.00 0.00 57.88 57.64 1iru h LEU 149 Cb 0.35 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1iru h LEU 149 CO 0.02 1.24 0.49 0.44 0.09 0.00 0.00 178.44 180.72 1iru h ASP 150 N 0.24 0.73 0.12 -0.43 3.32 -0.86 0.12 116.42 119.66 1iru h ASP 150 Ca -0.08 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1iru h ASP 150 Cb 1.59 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1iru h ASP 150 CO 0.17 0.49 -0.06 -1.13 -1.72 0.00 0.00 179.24 176.98 1iru h ASN 151 N 0.84 -0.14 -0.18 6.45 -1.24 -1.41 -2.60 115.58 117.30 1iru h ASN 151 Ca 0.31 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.27 1iru h ASN 151 Cb 0.16 0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.24 1iru h ASN 151 CO -0.10 0.30 -0.09 1.56 -1.29 0.00 0.00 177.43 177.81 1iru h GLN 152 N -0.95 0.38 0.00 6.67 1.08 -0.93 -0.95 115.11 120.41 1iru h GLN 152 Ca -0.02 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.00 1iru h GLN 152 Cb 0.13 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1iru h GLN 152 CO 0.03 0.68 -1.11 0.28 -0.95 0.00 0.00 178.83 177.76 1iru n VAL 153 N -4.59 0.65 0.51 -0.54 0.31 0.36 -4.19 118.33 110.84 1iru n VAL 153 Ca -0.05 -0.56 0.07 0.00 -0.01 0.00 0.00 64.34 63.78 1iru n VAL 153 Cb 0.31 -0.36 0.06 0.00 -0.91 0.00 0.00 33.84 32.94 1iru n VAL 153 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1iru n GLY 154 N 1.21 0.08 4.11 2.92 0.00 -0.89 -4.99 105.19 107.64 1iru n GLY 154 Ca -0.01 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 1iru n GLY 154 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iru n PHE 155 N 0.76 -1.59 -3.56 1.61 3.01 -0.37 -4.91 117.46 112.41 1iru n PHE 155 Ca 0.08 0.73 -0.35 0.00 1.01 0.00 0.00 57.45 58.93 1iru n PHE 155 Cb 0.35 -3.30 -0.05 0.00 -0.01 0.00 0.00 39.48 36.46 1iru n PHE 155 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1iru s LYS 156 N -6.83 3.78 0.00 -1.08 1.02 -1.00 -4.12 119.74 111.51 1iru s LYS 156 Ca 0.23 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.42 1iru s LYS 156 Cb -0.13 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 1iru s LYS 156 CO 0.92 0.57 0.00 0.09 -0.92 0.00 0.00 175.35 176.01 1iru n ASN 157 N 0.98 -4.29 -4.30 2.83 3.02 -1.26 -4.56 115.26 107.69 1iru n ASN 157 Ca -0.08 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.12 1iru n ASN 157 Cb 0.52 -2.23 -0.14 0.00 -0.61 0.00 0.00 39.78 37.32 1iru n ASN 157 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1iru s MET 158 N -1.15 3.34 0.16 3.52 -1.94 -1.26 -5.11 119.30 116.86 1iru s MET 158 Ca 0.00 -0.66 -0.14 0.00 -1.71 0.00 0.00 55.69 53.18 1iru s MET 158 Cb 0.00 -2.88 -0.07 0.00 2.01 0.00 0.00 34.83 33.89 1iru s MET 158 CO 0.00 -0.11 0.55 -1.14 -0.01 0.00 0.00 175.02 174.32 1iru s GLN 159 N 1.21 3.97 -0.77 2.03 -0.44 -1.26 -4.50 119.66 119.90 1iru s GLN 159 Ca 0.02 0.48 -0.05 0.00 -2.50 0.00 0.00 55.36 53.32 1iru s GLN 159 Cb -0.14 -2.90 0.01 0.00 -1.64 0.00 0.00 33.01 28.33 1iru s GLN 159 CO -0.03 0.46 0.62 0.27 0.50 0.00 0.00 175.29 177.11 1iru n ASN 160 N 0.72 -5.31 -4.45 6.67 6.94 -1.26 -5.01 115.26 113.56 1iru n ASN 160 Ca -0.05 -0.75 -0.22 0.00 -0.02 0.00 0.00 54.58 53.54 1iru n ASN 160 Cb 0.52 -2.15 -0.10 0.00 -2.36 0.00 0.00 39.78 35.68 1iru n ASN 160 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1iru s VAL 161 N -2.82 1.90 -0.48 3.53 -7.23 -1.26 -5.11 120.40 108.93 1iru s VAL 161 Ca 0.05 -2.19 -0.19 0.00 -1.81 0.00 0.00 61.98 57.84 1iru s VAL 161 Cb -0.01 -2.42 0.05 0.00 0.56 0.00 0.00 36.38 34.56 1iru s VAL 161 CO 0.88 -0.33 0.58 -1.83 -0.31 0.00 0.00 175.10 174.08 1iru s GLU 162 N -3.66 3.12 -0.62 4.82 1.03 -1.26 -4.96 118.70 117.17 1iru s GLU 162 Ca 0.29 -0.85 -0.05 0.00 0.03 0.00 0.00 54.97 54.40 1iru s GLU 162 Cb 0.02 -4.06 -0.07 0.00 -0.80 0.00 0.00 34.13 29.22 1iru s GLU 162 CO 0.13 -1.12 2.02 0.72 -1.33 0.00 0.00 175.26 175.68 1iru n HIS 163 N 6.00 0.92 -2.37 4.83 8.25 -1.26 -4.90 115.22 126.69 1iru n HIS 163 Ca -0.07 -1.56 -0.40 0.00 -0.26 0.00 0.00 57.72 55.44 1iru n HIS 163 Cb 0.46 -1.43 -0.04 0.00 1.12 0.00 0.00 29.99 30.11 1iru n HIS 163 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1iru s VAL 164 N 3.17 3.27 0.56 1.59 0.11 -1.26 -4.99 120.40 122.85 1iru s VAL 164 Ca 0.35 1.26 -0.21 0.00 -2.93 0.00 0.00 61.98 60.45 1iru s VAL 164 Cb 0.11 -3.79 -0.04 0.00 -1.53 0.00 0.00 36.38 31.12 1iru s VAL 164 CO -0.02 0.29 1.32 -2.16 -3.33 0.00 0.00 175.10 171.20 1iru s PRO 165 N -1.61 3.08 -0.66 1.54 0.04 -1.26 -4.84 135.00 131.29 1iru s PRO 165 Ca 0.47 2.15 -0.26 0.00 0.04 0.00 0.00 61.00 63.39 1iru s PRO 165 Cb -0.34 -2.18 -0.06 0.00 0.04 0.00 0.00 34.50 31.96 1iru s PRO 165 CO 0.44 -1.21 2.14 -0.48 0.04 0.00 0.00 177.00 177.93 1iru s LEU 166 N -3.65 3.23 0.25 -3.56 -0.00 -1.26 -4.91 118.68 108.78 1iru s LEU 166 Ca 0.73 0.34 -0.31 0.00 -0.00 0.00 0.00 54.13 54.89 1iru s LEU 166 Cb -0.38 -2.53 -0.11 0.00 -0.00 0.00 0.00 46.19 43.17 1iru s LEU 166 CO 0.44 -2.86 1.57 -0.94 -0.00 0.00 0.00 176.35 174.57 1iru s SER 167 N 9.84 6.48 0.54 1.48 1.04 -1.26 -4.77 113.70 127.06 1iru s SER 167 Ca 0.81 2.81 0.37 0.00 0.48 0.00 0.00 55.95 60.42 1iru s SER 167 Cb -0.13 -2.62 1.56 0.00 0.10 0.00 0.00 66.02 64.93 1iru s SER 167 CO 0.16 -0.85 1.80 0.25 0.98 0.00 0.00 173.24 175.58 1iru h LEU 168 N 5.48 0.00 -0.06 2.42 5.85 -1.99 0.12 115.31 127.13 1iru h LEU 168 Ca -0.45 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 1iru h LEU 168 Cb 1.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1iru h LEU 168 CO 0.83 0.00 -0.06 -0.78 -0.34 0.00 0.00 178.44 178.09 1iru h ASP 169 N 0.00 0.16 -0.56 1.25 1.82 -2.00 -1.85 116.42 115.25 1iru h ASP 169 Ca 0.57 -0.48 -0.04 0.00 -0.39 0.00 0.00 57.03 56.68 1iru h ASP 169 Cb 2.30 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 42.23 1iru h ASP 169 CO -0.01 0.61 0.20 -0.09 -1.61 0.00 0.00 179.24 178.35 1iru h ARG 170 N -0.29 0.90 0.65 0.28 2.43 -1.19 -2.98 114.38 114.19 1iru h ARG 170 Ca 0.01 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1iru h ARG 170 Cb 0.57 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1iru h ARG 170 CO 0.02 0.77 -0.35 0.00 -1.51 0.00 0.00 179.97 178.89 1iru h ALA 171 N 1.34 -1.22 -1.32 2.80 0.00 -1.09 -1.27 119.26 118.50 1iru h ALA 171 Ca 0.20 -0.20 0.38 0.00 0.00 0.00 0.00 54.91 55.30 1iru h ALA 171 Cb 0.23 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1iru h ALA 171 CO -0.01 -1.17 1.15 0.52 0.00 0.00 0.00 179.25 179.74 1iru h MET 172 N -0.92 0.00 0.00 0.00 2.86 -1.22 0.80 114.93 116.45 1iru h MET 172 Ca -0.09 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.33 1iru h MET 172 Cb 0.72 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.34 1iru h MET 172 CO 0.12 0.00 -1.60 2.89 1.06 0.00 0.00 176.91 179.38 1iru n ARG 173 N -3.70 0.63 -0.10 1.72 1.85 -1.01 -2.97 116.66 113.09 1iru n ARG 173 Ca 0.29 0.22 -0.11 0.00 -1.00 0.00 0.00 57.85 57.25 1iru n ARG 173 Cb 1.56 -1.77 -0.03 0.00 -1.05 0.00 0.00 32.46 31.16 1iru n ARG 173 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 1iru h LEU 174 N 0.00 0.47 -0.05 2.89 3.38 0.17 -0.72 115.31 121.46 1iru h LEU 174 Ca -0.23 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.49 1iru h LEU 174 Cb 1.76 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.34 1iru h LEU 174 CO 0.05 0.64 -0.18 0.58 0.09 0.00 0.00 178.44 179.62 1iru h VAL 175 N 0.29 0.56 -0.09 1.22 2.07 -1.27 -1.76 116.25 117.26 1iru h VAL 175 Ca 0.08 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1iru h VAL 175 Cb 0.38 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1iru h VAL 175 CO 0.01 0.00 -0.07 0.11 0.02 0.00 0.00 177.57 177.64 1iru h LYS 176 N -0.27 0.13 0.32 1.57 1.57 -1.42 -2.80 116.57 115.68 1iru h LYS 176 Ca 0.07 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1iru h LYS 176 Cb 0.36 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1iru h LYS 176 CO -0.20 0.22 -0.15 -0.44 -0.57 0.00 0.00 179.45 178.30 1iru h ASP 177 N 0.13 -0.36 -0.88 0.86 3.32 -0.32 -2.13 116.42 117.04 1iru h ASP 177 Ca 0.03 -0.11 0.16 0.00 0.02 0.00 0.00 57.03 57.13 1iru h ASP 177 Cb 0.22 0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.79 1iru h ASP 177 CO 0.01 0.11 0.57 -0.37 -1.72 0.00 0.00 179.24 177.84 1iru h VAL 178 N -1.04 0.80 0.00 -1.35 -1.51 -1.38 0.33 116.25 112.10 1iru h VAL 178 Ca -0.04 -0.21 -0.11 0.00 -1.23 0.00 0.00 66.70 65.10 1iru h VAL 178 Cb 0.45 0.13 -0.02 0.00 -2.13 0.00 0.00 31.29 29.72 1iru h VAL 178 CO 0.07 0.11 -0.52 -0.26 -1.23 0.00 0.00 177.57 175.75 1iru h PHE 179 N 0.62 0.00 0.09 5.19 -1.00 -1.57 0.19 116.94 120.46 1iru h PHE 179 Ca 0.45 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.97 1iru h PHE 179 Cb 0.81 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.36 1iru h PHE 179 CO -0.00 0.52 -1.18 0.82 -1.61 0.00 0.00 178.31 176.85 1iru h ILE 180 N 0.00 1.55 -0.09 -0.55 2.04 -0.10 -1.39 117.51 118.97 1iru h ILE 180 Ca -0.01 -3.17 -0.14 0.00 1.00 0.00 0.00 64.86 62.54 1iru h ILE 180 Cb 1.10 2.91 0.01 0.00 -0.74 0.00 0.00 36.82 40.09 1iru h ILE 180 CO 0.07 0.92 -0.50 0.28 0.00 0.00 0.00 178.15 178.91 1iru h SER 181 N 0.05 0.60 -0.45 1.72 0.02 -0.37 -3.18 113.55 111.94 1iru h SER 181 Ca -0.10 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 60.20 1iru h SER 181 Cb 1.91 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 64.25 1iru h SER 181 CO 0.18 1.16 0.30 0.00 -1.14 0.00 0.00 176.83 177.32 1iru h ALA 182 N 0.46 0.58 0.00 3.77 0.00 -0.68 -0.30 119.26 123.09 1iru h ALA 182 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1iru h ALA 182 Cb 1.15 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1iru h ALA 182 CO 0.10 0.03 0.26 0.00 0.00 0.00 0.00 179.25 179.64 1iru h ALA 183 N 1.16 1.21 0.02 0.00 0.00 -1.23 0.14 119.26 120.56 1iru h ALA 183 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.82 1iru h ALA 183 Cb -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1iru h ALA 183 CO -0.04 -0.21 -1.31 0.93 0.00 0.00 0.00 179.25 178.62 1iru h GLU 184 N 0.00 0.05 0.00 0.00 4.39 -1.04 -3.41 114.58 114.57 1iru h GLU 184 Ca 0.00 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 1iru h GLU 184 Cb 0.52 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1iru h GLU 184 CO 0.00 0.87 -1.47 0.54 -1.16 0.00 0.00 179.01 177.80 1iru n ARG 185 N -3.28 1.19 -3.51 2.33 5.12 0.34 -4.95 116.66 113.90 1iru n ARG 185 Ca -0.08 -0.05 -0.42 0.00 -1.93 0.00 0.00 57.85 55.37 1iru n ARG 185 Cb 0.99 -1.21 -0.10 0.00 -1.16 0.00 0.00 32.46 30.98 1iru n ARG 185 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1iru s ASP 186 N -3.40 5.97 0.59 0.55 2.15 -0.25 -4.94 116.67 117.33 1iru s ASP 186 Ca -0.04 -0.96 0.28 0.00 0.43 0.00 0.00 52.55 52.26 1iru s ASP 186 Cb 0.04 -2.11 1.52 0.00 -0.30 0.00 0.00 42.92 42.08 1iru s ASP 186 CO 0.36 -0.44 1.84 -0.37 -0.17 0.00 0.00 175.17 176.39 1iru h VAL 187 N 5.74 0.00 0.00 1.11 -1.51 -1.90 -0.23 116.25 119.46 1iru h VAL 187 Ca -0.26 0.00 -0.21 0.00 -1.23 0.00 0.00 66.70 65.00 1iru h VAL 187 Cb 1.11 0.62 -0.03 0.00 -2.13 0.00 0.00 31.29 30.86 1iru h VAL 187 CO 0.71 0.00 -1.07 1.88 -1.23 0.00 0.00 177.57 177.86 1iru h TYR 188 N 0.00 0.00 -3.33 5.19 -1.99 -1.94 -3.45 116.97 111.45 1iru h TYR 188 Ca 0.00 0.00 -0.56 0.00 2.00 0.00 0.00 58.73 60.17 1iru h TYR 188 Cb 0.57 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.24 1iru h TYR 188 CO 0.00 0.92 0.01 0.99 -0.00 0.00 0.00 178.16 180.09 1iru s THR 189 N -2.73 4.92 -4.19 -2.88 2.01 -0.10 -4.44 115.64 108.23 1iru s THR 189 Ca 0.00 1.30 0.00 0.00 0.31 0.00 0.00 61.69 63.31 1iru s THR 189 Cb 0.09 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.64 1iru s THR 189 CO 0.81 0.38 0.00 0.61 -0.69 0.00 0.00 174.62 175.73 1iru n GLY 190 N 2.58 -1.42 5.00 4.40 0.00 -1.26 -4.58 105.19 109.91 1iru n GLY 190 Ca -0.06 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1iru n GLY 190 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iru n ASP 191 N 2.51 0.00 -3.67 1.61 10.43 0.13 -4.01 116.55 123.56 1iru n ASP 191 Ca 0.00 0.00 -0.06 0.00 2.57 0.00 0.00 54.79 57.30 1iru n ASP 191 Cb 0.00 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 42.95 1iru n ASP 191 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1iru s ALA 192 N 0.00 -1.28 -0.17 2.24 0.00 -1.26 -2.29 121.76 119.01 1iru s ALA 192 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 1iru s ALA 192 Cb 0.00 0.77 0.06 0.00 0.00 0.00 0.00 23.12 23.95 1iru s ALA 192 CO 0.00 -1.04 0.11 -1.17 0.00 0.00 0.00 175.76 173.67 1iru s LEU 193 N -2.97 0.25 -0.10 0.00 2.96 0.52 -2.02 118.68 117.31 1iru s LEU 193 Ca 0.13 -0.49 -0.11 0.00 -0.22 0.00 0.00 54.13 53.44 1iru s LEU 193 Cb -0.05 -0.12 -0.05 0.00 0.50 0.00 0.00 46.19 46.48 1iru s LEU 193 CO 0.06 -0.34 0.25 -0.60 -1.32 0.00 0.00 176.35 174.41 1iru s ARG 194 N 2.18 3.80 0.06 1.98 3.52 -0.96 -0.61 118.95 128.92 1iru s ARG 194 Ca 0.03 0.08 0.09 0.00 -0.13 0.00 0.00 55.73 55.80 1iru s ARG 194 Cb -0.16 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 1iru s ARG 194 CO -0.09 0.61 -0.26 0.42 -0.81 0.00 0.00 175.30 175.18 1iru s ILE 195 N -0.65 2.25 -0.12 4.11 1.09 0.90 -2.64 121.20 126.14 1iru s ILE 195 Ca 0.18 -1.45 0.01 0.00 -1.10 0.00 0.00 60.65 58.29 1iru s ILE 195 Cb -0.14 -1.91 0.02 0.00 -1.06 0.00 0.00 42.46 39.37 1iru s ILE 195 CO 0.06 0.30 -0.15 0.00 -0.10 0.00 0.00 174.94 175.06 1iru s ILE 197 N 1.15 3.91 -0.22 0.00 1.01 0.66 -1.17 121.20 126.54 1iru s ILE 197 Ca -0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 1iru s ILE 197 Cb -0.14 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 1iru s ILE 197 CO -0.04 0.43 -0.04 -0.69 0.00 0.00 0.00 174.94 174.60 1iru s VAL 198 N 0.96 3.41 0.31 2.92 1.01 0.32 -1.10 120.40 128.23 1iru s VAL 198 Ca 0.01 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.58 1iru s VAL 198 Cb -0.14 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1iru s VAL 198 CO 0.02 0.42 0.26 0.35 0.00 0.00 0.00 175.10 176.15 1iru n THR 199 N 4.79 0.00 0.23 3.92 -2.24 -0.03 -1.35 114.28 119.60 1iru n THR 199 Ca -0.18 -2.29 0.10 0.00 -2.27 0.00 0.00 64.05 59.41 1iru n THR 199 Cb 0.51 1.13 0.67 0.00 -2.10 0.00 0.00 70.33 70.54 1iru n THR 199 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1iru h LYS 200 N 0.00 0.00 0.00 -0.78 2.10 -1.91 -0.97 116.57 115.01 1iru h LYS 200 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 1iru h LYS 200 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1iru h LYS 200 CO 0.33 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.71 1iru h GLU 201 N 0.00 0.00 0.00 0.07 3.07 -1.96 -3.50 114.58 112.26 1iru h GLU 201 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1iru h GLU 201 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1iru h GLU 201 CO -0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1iru n GLY 202 N 0.94 0.65 3.12 -3.84 0.00 -0.37 -5.05 105.19 100.64 1iru n GLY 202 Ca 0.04 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 1iru n GLY 202 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iru s ILE 203 N -3.05 2.06 -0.07 -0.61 1.01 -1.26 -0.85 121.20 118.42 1iru s ILE 203 Ca 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.73 1iru s ILE 203 Cb 0.00 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 1iru s ILE 203 CO 0.00 0.53 -0.18 -0.60 0.00 0.00 0.00 174.94 174.69 1iru s ARG 204 N 1.29 2.76 0.04 2.79 3.52 -0.26 -4.92 118.95 124.16 1iru s ARG 204 Ca 0.05 -0.77 0.02 0.00 -0.13 0.00 0.00 55.73 54.90 1iru s ARG 204 Cb -0.13 -2.37 -0.04 0.00 -1.56 0.00 0.00 34.95 30.85 1iru s ARG 204 CO -0.13 0.43 0.04 -1.21 -0.81 0.00 0.00 175.30 173.62 1iru s GLU 205 N -0.23 2.83 -0.08 5.12 2.02 -1.26 -0.25 118.70 126.85 1iru s GLU 205 Ca 0.00 -0.65 -0.04 0.00 0.02 0.00 0.00 54.97 54.31 1iru s GLU 205 Cb -0.13 -2.70 0.04 0.00 0.10 0.00 0.00 34.13 31.44 1iru s GLU 205 CO 0.03 0.60 0.17 -2.00 0.02 0.00 0.00 175.26 174.08 1iru s GLU 206 N -1.96 0.13 -0.34 1.61 2.12 -0.61 -4.98 118.70 114.67 1iru s GLU 206 Ca 0.24 0.40 -0.00 0.00 0.36 0.00 0.00 54.97 55.97 1iru s GLU 206 Cb -0.12 -0.14 0.08 0.00 0.26 0.00 0.00 34.13 34.21 1iru s GLU 206 CO 0.16 -0.15 0.07 0.99 -0.54 0.00 0.00 175.26 175.78 1iru s THR 207 N 1.11 2.84 0.36 -1.70 2.01 -1.26 -0.07 115.64 118.93 1iru s THR 207 Ca -0.08 -1.85 -0.06 0.00 0.31 0.00 0.00 61.69 60.01 1iru s THR 207 Cb -0.10 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 1iru s THR 207 CO -0.06 -0.40 0.66 -0.69 -0.69 0.00 0.00 174.62 173.44 1iru s VAL 208 N 1.12 4.94 0.08 3.82 1.01 0.22 -4.90 120.40 126.69 1iru s VAL 208 Ca 0.02 0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 1iru s VAL 208 Cb -0.21 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1iru s VAL 208 CO -0.04 -0.48 0.30 -0.44 0.00 0.00 0.00 175.10 174.44 1iru s SER 209 N -3.37 6.47 0.24 3.32 0.01 -1.26 -0.36 113.70 118.75 1iru s SER 209 Ca 0.46 0.51 0.03 0.00 1.31 0.00 0.00 55.95 58.27 1iru s SER 209 Cb -0.10 -2.06 -0.05 0.00 0.21 0.00 0.00 66.02 64.01 1iru s SER 209 CO 0.33 0.15 0.01 -0.76 0.41 0.00 0.00 173.24 173.38 1iru s LEU 210 N -2.31 2.13 0.21 2.44 1.43 -0.97 -4.82 118.68 116.78 1iru s LEU 210 Ca 0.35 -1.25 -0.32 0.00 -1.03 0.00 0.00 54.13 51.88 1iru s LEU 210 Cb -0.13 -0.24 -0.13 0.00 0.03 0.00 0.00 46.19 45.72 1iru s LEU 210 CO 0.23 -0.55 1.50 0.54 0.23 0.00 0.00 176.35 178.30 1iru n ARG 211 N -0.44 2.13 -0.06 1.70 1.74 -1.26 -3.63 116.66 116.85 1iru n ARG 211 Ca -0.04 0.76 0.06 0.00 -0.77 0.00 0.00 57.85 57.86 1iru n ARG 211 Cb 0.64 -2.48 0.25 0.00 -1.02 0.00 0.00 32.46 29.85 1iru n ARG 211 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1iru n LYS 212 N 2.70 1.34 0.00 5.56 5.02 -1.26 0.22 118.16 131.74 1iru n LYS 212 Ca 0.14 -0.52 0.10 0.00 -2.02 0.00 0.00 58.31 56.01 1iru n LYS 212 Cb 0.30 -1.22 0.09 0.00 -0.02 0.00 0.00 35.03 34.19 1iru n LYS 212 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48