#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 -3.95 2.89 7.35 -1.26 -5.15 117.46 117.33 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 6.20 -0.05 -2.13 0.15 -1.26 -4.98 113.70 111.64 1iru s SER 3 Ca 0.00 0.41 0.15 0.00 0.70 0.00 0.00 55.95 57.21 1iru s SER 3 Cb 0.00 -1.98 0.50 0.00 -1.71 0.00 0.00 66.02 62.83 1iru s SER 3 CO 0.00 0.40 1.39 -0.81 1.20 0.00 0.00 173.24 175.42 1iru n PRO 4 N 2.05 2.65 -4.39 5.44 -0.04 -1.26 -4.92 135.00 134.53 1iru n PRO 4 Ca -0.20 -1.99 -0.23 0.00 -0.04 0.00 0.00 63.50 61.04 1iru n PRO 4 Cb 0.55 -1.58 -0.11 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.55 2.01 0.00 0.54 1.51 -1.26 -5.06 117.35 113.54 1iru s TYR 5 Ca 0.36 -0.43 -0.15 0.00 -1.01 0.00 0.00 57.07 55.84 1iru s TYR 5 Cb 0.21 -0.95 0.02 0.00 -0.11 0.00 0.00 41.96 41.14 1iru s TYR 5 CO 0.21 0.47 0.32 0.14 -1.11 0.00 0.00 175.55 175.58 1iru s VAL 6 N -2.32 0.06 -0.33 0.71 -7.23 -1.26 -5.14 120.40 104.90 1iru s VAL 6 Ca 0.22 -0.52 -0.09 0.00 -1.81 0.00 0.00 61.98 59.78 1iru s VAL 6 Cb -0.05 -0.71 0.01 0.00 0.56 0.00 0.00 36.38 36.20 1iru s VAL 6 CO 0.10 -0.29 0.14 0.12 -0.31 0.00 0.00 175.10 174.86 1iru s PHE 7 N -1.65 3.19 -2.73 2.82 5.36 -1.26 -3.92 117.98 119.79 1iru s PHE 7 Ca -0.11 -0.89 0.24 0.00 -0.96 0.00 0.00 56.93 55.20 1iru s PHE 7 Cb -0.04 -2.34 0.25 0.00 -0.34 0.00 0.00 43.02 40.55 1iru s PHE 7 CO 0.02 -0.57 1.28 0.09 -1.46 0.00 0.00 175.22 174.58 1iru n ASN 8 N 4.93 2.62 0.00 6.13 3.02 0.05 -4.50 115.26 127.52 1iru n ASN 8 Ca -0.13 -1.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 1iru n ASN 8 Cb 0.47 0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 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 1.35 -0.13 0.00 7.41 0.00 -1.25 -2.04 105.19 110.53 1iru n GLY 9 Ca 0.13 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.57 3.65 -0.02 0.00 -1.26 -3.90 105.19 102.08 1iru n GLY 10 Ca 0.00 -1.22 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.37 2.83 -0.03 2.61 2.01 -1.26 -3.60 115.64 116.84 1iru s THR 11 Ca 0.00 -1.92 -0.01 0.00 0.31 0.00 0.00 61.69 60.07 1iru s THR 11 Cb 0.00 -2.83 0.02 0.00 0.01 0.00 0.00 72.50 69.71 1iru s THR 11 CO 0.00 -0.23 0.06 -0.63 -0.69 0.00 0.00 174.62 173.13 1iru s ILE 12 N -2.47 -0.03 0.07 1.82 1.01 0.54 -3.31 121.20 118.82 1iru s ILE 12 Ca 0.35 0.12 0.04 0.00 0.00 0.00 0.00 60.65 61.16 1iru s ILE 12 Cb -0.02 -0.11 -0.03 0.00 0.01 0.00 0.00 42.46 42.32 1iru s ILE 12 CO 0.20 0.05 -0.12 -0.22 0.00 0.00 0.00 174.94 174.85 1iru s LEU 13 N 0.66 2.29 -0.18 2.97 2.96 0.23 -0.32 118.68 127.28 1iru s LEU 13 Ca -0.05 -0.62 -0.20 0.00 -0.22 0.00 0.00 54.13 53.04 1iru s LEU 13 Cb -0.07 -0.39 0.05 0.00 0.50 0.00 0.00 46.19 46.28 1iru s LEU 13 CO -0.02 -0.14 0.55 0.00 -1.32 0.00 0.00 176.35 175.42 1iru s ALA 14 N -1.45 -1.37 0.05 5.97 0.00 -0.38 0.63 121.76 125.20 1iru s ALA 14 Ca -0.03 1.47 0.04 0.00 0.00 0.00 0.00 51.96 53.44 1iru s ALA 14 Cb -0.09 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1iru s ALA 14 CO 0.01 -0.27 -0.12 0.42 0.00 0.00 0.00 175.76 175.81 1iru s ILE 15 N 0.07 0.89 -0.12 0.00 1.09 -0.64 -1.04 121.20 121.45 1iru s ILE 15 Ca -0.02 -1.06 0.03 0.00 -1.10 0.00 0.00 60.65 58.50 1iru s ILE 15 Cb -0.04 -0.86 0.01 0.00 -1.06 0.00 0.00 42.46 40.51 1iru s ILE 15 CO 0.02 -0.18 -0.21 0.00 -0.10 0.00 0.00 174.94 174.47 1iru s ALA 16 N -1.09 2.09 0.51 9.38 0.00 0.21 -0.67 121.76 132.19 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 -0.89 0.01 0.00 0.00 0.00 0.00 23.12 22.15 1iru s ALA 16 CO 0.01 0.07 0.30 0.20 0.00 0.00 0.00 175.76 176.34 1iru s GLY 17 N 0.68 2.48 0.20 0.00 0.00 0.20 -4.88 107.32 105.99 1iru s GLY 17 Ca -0.11 -1.24 -0.22 0.00 0.00 0.00 0.00 44.72 43.14 1iru s GLY 17 CO 0.02 -1.97 1.56 0.83 0.00 0.00 0.00 173.10 173.53 1iru h GLU 18 N 0.97 -0.08 -0.00 2.90 4.39 -1.93 -2.67 114.58 118.16 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 1.30 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.88 1iru h GLU 18 CO 0.62 -0.05 -0.62 -0.40 -1.16 0.00 0.00 179.01 177.40 1iru n ASP 19 N -5.41 1.58 -3.48 1.42 3.85 -1.26 -2.90 116.55 110.35 1iru n ASP 19 Ca 0.06 -3.50 -0.13 0.00 -0.71 0.00 0.00 54.79 50.50 1iru n ASP 19 Cb 0.36 -0.48 -0.04 0.00 -1.35 0.00 0.00 41.12 39.61 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 -2.56 -0.54 -0.01 2.11 -0.12 -1.17 -4.51 117.98 111.18 1iru s PHE 20 Ca 0.37 0.61 0.02 0.00 -0.05 0.00 0.00 56.93 57.88 1iru s PHE 20 Cb 0.37 0.50 -0.00 0.00 -0.63 0.00 0.00 43.02 43.26 1iru s PHE 20 CO -0.09 -0.69 -0.08 0.00 -0.05 0.00 0.00 175.22 174.30 1iru s ALA 21 N -2.61 0.73 -0.04 1.99 0.00 -0.48 0.59 121.76 121.93 1iru s ALA 21 Ca -0.03 -0.34 0.06 0.00 0.00 0.00 0.00 51.96 51.66 1iru s ALA 21 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1iru s ALA 21 CO -0.04 0.16 -0.24 0.42 0.00 0.00 0.00 175.76 176.07 1iru s ILE 22 N -0.07 2.23 -0.14 0.00 1.01 0.15 -0.55 121.20 123.83 1iru s ILE 22 Ca 0.01 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.63 1iru s ILE 22 Cb -0.05 -1.80 0.04 0.00 0.01 0.00 0.00 42.46 40.66 1iru s ILE 22 CO -0.00 0.58 -0.03 -0.69 0.00 0.00 0.00 174.94 174.79 1iru s VAL 23 N -0.42 0.85 0.14 2.92 1.01 -0.33 -1.63 120.40 122.95 1iru s VAL 23 Ca 0.04 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1iru s VAL 23 Cb -0.12 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1iru s VAL 23 CO 0.01 0.16 -0.17 0.00 0.00 0.00 0.00 175.10 175.10 1iru s ALA 24 N 1.75 1.78 -0.03 5.51 0.00 0.21 -1.20 121.76 129.78 1iru s ALA 24 Ca 0.02 -1.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.31 1iru s ALA 24 Cb -0.14 -0.15 0.06 0.00 0.00 0.00 0.00 23.12 22.89 1iru s ALA 24 CO -0.07 0.20 0.63 -1.54 0.00 0.00 0.00 175.76 174.97 1iru s SER 25 N -2.50 -0.60 1.09 0.00 1.04 -1.09 0.74 113.70 112.38 1iru s SER 25 Ca 0.12 0.58 -0.08 0.00 0.48 0.00 0.00 55.95 57.05 1iru s SER 25 Cb -0.06 0.52 0.12 0.00 0.10 0.00 0.00 66.02 66.70 1iru s SER 25 CO 0.05 -0.63 0.47 -0.90 0.98 0.00 0.00 173.24 173.21 1iru n ASP 26 N 0.83 -1.24 -0.06 7.02 5.68 -1.21 -2.24 116.55 125.33 1iru n ASP 26 Ca -0.19 -0.83 0.02 0.00 -0.50 0.00 0.00 54.79 53.29 1iru n ASP 26 Cb 0.58 -0.42 0.03 0.00 -1.14 0.00 0.00 41.12 40.17 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 -3.37 0.87 -3.08 2.12 -2.24 -0.88 -4.14 114.28 103.55 1iru n THR 27 Ca 0.06 -0.95 -0.39 0.00 -2.27 0.00 0.00 64.05 60.50 1iru n THR 27 Cb 0.24 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.08 4.42 -0.23 -0.78 3.52 -1.26 0.81 118.95 124.36 1iru s ARG 28 Ca 0.07 0.90 0.01 0.00 -0.13 0.00 0.00 55.73 56.58 1iru s ARG 28 Cb 0.06 -3.37 0.04 0.00 -1.56 0.00 0.00 34.95 30.12 1iru s ARG 28 CO 0.01 0.27 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.47 1iru s LEU 29 N 0.05 2.96 0.41 -0.88 2.96 -0.74 -4.34 118.68 119.11 1iru s LEU 29 Ca 0.35 -1.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.26 1iru s LEU 29 Cb -0.19 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1iru s LEU 29 CO 0.20 -0.11 0.10 -0.94 -1.32 0.00 0.00 176.35 174.27 1iru s SER 30 N 1.21 2.93 -0.29 3.68 1.04 -0.86 0.80 113.70 122.21 1iru s SER 30 Ca -0.02 -1.61 -0.14 0.00 0.48 0.00 0.00 55.95 54.66 1iru s SER 30 Cb -0.17 0.38 0.13 0.00 0.10 0.00 0.00 66.02 66.46 1iru s SER 30 CO -0.08 -0.85 0.79 -0.70 0.98 0.00 0.00 173.24 173.38 1iru s GLU 31 N -3.77 0.52 7.74 4.02 2.12 -0.89 -4.07 118.70 124.37 1iru s GLU 31 Ca 0.24 1.11 0.00 0.00 0.36 0.00 0.00 54.97 56.67 1iru s GLU 31 Cb 0.04 0.45 0.00 0.00 0.26 0.00 0.00 34.13 34.88 1iru s GLU 31 CO 0.13 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 1iru n GLY 32 N 4.74 2.33 0.17 -1.50 0.00 -1.26 -2.12 105.19 107.55 1iru n GLY 32 Ca -0.15 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 12.35 0.03 -4.23 1.61 3.01 -1.26 -5.04 117.46 123.93 1iru n PHE 33 Ca 0.00 -1.07 -0.27 0.00 1.01 0.00 0.00 57.45 57.13 1iru n PHE 33 Cb 0.00 -0.17 -0.06 0.00 -0.01 0.00 0.00 39.48 39.24 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 -2.90 4.37 -0.16 4.37 0.01 -0.90 -5.13 113.70 113.36 1iru s SER 34 Ca 0.33 -1.24 0.01 0.00 1.31 0.00 0.00 55.95 56.37 1iru s SER 34 Cb 0.29 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.41 1iru s SER 34 CO 0.02 -0.70 -0.19 -0.63 0.41 0.00 0.00 173.24 172.15 1iru s ILE 35 N -2.69 1.93 -0.07 1.44 1.01 -1.26 -2.09 121.20 119.48 1iru s ILE 35 Ca 0.33 -0.87 -0.26 0.00 0.00 0.00 0.00 60.65 59.84 1iru s ILE 35 Cb 0.03 -1.74 -0.22 0.00 0.01 0.00 0.00 42.46 40.54 1iru s ILE 35 CO 0.18 0.52 1.05 0.45 0.00 0.00 0.00 174.94 177.15 1iru h HIS 36 N 7.75 -0.02 -2.73 3.97 3.86 0.08 -3.48 115.15 124.58 1iru h HIS 36 Ca -0.40 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 58.73 1iru h HIS 36 Cb 1.16 0.01 -0.18 0.00 1.06 0.00 0.00 27.41 29.45 1iru h HIS 36 CO 0.47 0.63 -0.05 -0.08 0.86 0.00 0.00 177.93 179.76 1iru s THR 37 N -3.46 0.04 -0.68 2.45 -1.32 -1.05 -5.03 115.64 106.58 1iru s THR 37 Ca -0.17 -0.31 0.23 0.00 -1.21 0.00 0.00 61.69 60.24 1iru s THR 37 Cb -0.00 -0.87 -0.07 0.00 -1.51 0.00 0.00 72.50 70.05 1iru s THR 37 CO 0.65 -0.17 1.12 0.54 -2.21 0.00 0.00 174.62 174.56 1iru n ARG 38 N 0.81 0.24 -3.62 7.08 1.74 -1.26 -1.79 116.66 119.86 1iru n ARG 38 Ca -0.19 0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.58 1iru n ARG 38 Cb 0.58 -1.59 -0.08 0.00 -1.02 0.00 0.00 32.46 30.35 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 -1.91 3.95 -3.20 0.55 2.03 -1.24 -4.14 116.55 112.58 1iru n ASP 39 Ca 0.03 -3.25 -0.21 0.00 0.52 0.00 0.00 54.79 51.88 1iru n ASP 39 Cb 0.42 -0.90 -0.07 0.00 -0.72 0.00 0.00 41.12 39.85 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 1.80 -1.01 -4.77 1.67 2.88 0.24 -5.04 113.62 109.39 1iru n SER 40 Ca 0.23 -2.59 -0.37 0.00 -1.33 0.00 0.00 58.87 54.81 1iru n SER 40 Cb 0.37 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 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 -0.02 3.59 -0.01 -1.46 0.04 -1.26 -4.29 135.00 131.59 1iru s PRO 41 Ca 0.33 1.85 0.18 0.00 0.04 0.00 0.00 61.00 63.40 1iru s PRO 41 Cb 0.07 -2.34 0.55 0.00 0.04 0.00 0.00 34.50 32.83 1iru s PRO 41 CO -0.16 -0.71 1.46 1.63 0.04 0.00 0.00 177.00 179.26 1iru n LYS 42 N -0.68 2.54 -3.82 4.56 4.76 -1.26 -4.91 118.16 119.35 1iru n LYS 42 Ca 0.08 -2.23 -0.36 0.00 -2.87 0.00 0.00 58.31 52.94 1iru n LYS 42 Cb 0.48 -1.52 -0.07 0.00 -1.84 0.00 0.00 35.03 32.08 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 -0.33 -0.02 -0.19 0.00 5.04 0.05 -5.00 117.35 116.90 1iru s TYR 44 Ca 0.11 0.06 -0.26 0.00 -2.44 0.00 0.00 57.07 54.55 1iru s TYR 44 Cb -0.12 -0.01 -0.01 0.00 0.35 0.00 0.00 41.96 42.17 1iru s TYR 44 CO 0.01 -0.02 0.86 -1.59 -1.34 0.00 0.00 175.55 173.47 1iru s LYS 45 N 0.10 4.28 -0.24 4.97 -2.85 -1.26 -0.97 119.74 123.77 1iru s LYS 45 Ca -0.01 1.06 -0.15 0.00 -1.00 0.00 0.00 55.97 55.87 1iru s LYS 45 Cb -0.01 -3.59 -0.16 0.00 -2.06 0.00 0.00 37.83 32.00 1iru s LYS 45 CO -0.00 -0.40 -0.07 1.28 0.10 0.00 0.00 175.35 176.26 1iru n LEU 46 N 5.50 2.07 0.00 2.77 4.77 0.36 -4.98 117.00 127.50 1iru n LEU 46 Ca 0.06 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 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 0.52 0.00 0.35 -1.33 0.00 0.00 177.39 177.42 1iru n THR 47 N -4.17 0.00 1.20 -5.08 -2.24 -0.92 -4.99 114.28 98.09 1iru n THR 47 Ca -0.44 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1iru n THR 47 Cb 0.83 0.00 0.65 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 -1.97 0.00 -1.06 3.42 8.00 -1.26 -3.61 116.55 120.08 1iru n ASP 48 Ca 0.00 -0.03 0.01 0.00 0.71 0.00 0.00 54.79 55.48 1iru n ASP 48 Cb 0.00 -0.30 -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 -1.30 0.00 -3.66 -1.24 2.85 -1.26 -4.50 118.16 109.05 1iru n LYS 49 Ca 0.12 -1.39 -0.12 0.00 -1.05 0.00 0.00 58.31 55.87 1iru n LYS 49 Cb 0.22 -0.06 -0.12 0.00 -0.65 0.00 0.00 35.03 34.42 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 -0.50 0.02 0.58 2.01 -1.24 -1.77 115.64 114.74 1iru s THR 50 Ca 0.16 0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.47 1iru s THR 50 Cb 0.19 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1iru s THR 50 CO -0.08 0.09 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.02 1iru s VAL 51 N 2.49 1.83 0.02 3.82 1.01 0.62 -0.48 120.40 129.71 1iru s VAL 51 Ca 0.00 -1.15 0.06 0.00 0.00 0.00 0.00 61.98 60.89 1iru s VAL 51 Cb -0.12 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1iru s VAL 51 CO -0.10 0.37 -0.18 -0.51 0.00 0.00 0.00 175.10 174.68 1iru s ILE 52 N -0.69 1.40 -0.05 2.22 2.07 -0.14 0.59 121.20 126.60 1iru s ILE 52 Ca 0.09 -0.99 0.05 0.00 -1.41 0.00 0.00 60.65 58.39 1iru s ILE 52 Cb -0.09 -1.22 -0.01 0.00 0.13 0.00 0.00 42.46 41.28 1iru s ILE 52 CO 0.01 0.20 -0.21 -0.83 -1.91 0.00 0.00 174.94 172.20 1iru s GLY 53 N -0.92 1.10 -0.06 1.50 0.00 -0.00 -0.77 107.32 108.16 1iru s GLY 53 Ca 0.05 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 43.96 1iru s GLY 53 CO 0.01 -0.45 -0.14 0.00 0.00 0.00 0.00 173.10 172.52 1iru s SER 55 N 0.37 1.74 0.00 0.00 1.04 -0.94 -4.77 113.70 111.14 1iru s SER 55 Ca -0.10 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.38 1iru s SER 55 Cb -0.14 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1iru s SER 55 CO 0.03 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1iru n GLY 56 N 0.05 0.86 3.53 7.32 0.00 -1.25 -1.01 105.19 114.69 1iru n GLY 56 Ca -0.12 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 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 0.51 1.61 5.36 -0.73 -0.77 117.98 127.18 1iru s PHE 57 Ca 0.00 -0.15 0.20 0.00 -0.96 0.00 0.00 56.93 56.02 1iru s PHE 57 Cb 0.00 -2.60 1.34 0.00 -0.34 0.00 0.00 43.02 41.42 1iru s PHE 57 CO 0.00 -0.43 2.13 1.25 -1.46 0.00 0.00 175.22 176.71 1iru h HIS 58 N 8.50 0.00 -0.80 10.12 -0.00 -1.88 -1.26 115.15 129.83 1iru h HIS 58 Ca -0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.05 1iru h HIS 58 Cb 1.15 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.52 1iru h HIS 58 CO 0.67 0.06 0.41 0.78 -0.00 0.00 0.00 177.93 179.84 1iru h GLY 59 N 0.21 1.22 1.18 5.26 0.00 -1.93 -1.01 103.07 108.00 1iru h GLY 59 Ca -0.00 -0.58 -0.26 0.00 0.00 0.00 0.00 47.33 46.49 1iru h GLY 59 CO 0.01 0.56 -0.99 -0.55 0.00 0.00 0.00 176.54 175.57 1iru h ASP 60 N 1.12 0.90 -0.77 0.19 3.32 -1.60 -2.72 116.42 116.87 1iru h ASP 60 Ca 0.28 -0.72 0.04 0.00 0.02 0.00 0.00 57.03 56.65 1iru h ASP 60 Cb 0.08 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.31 1iru h ASP 60 CO -0.04 1.51 0.48 0.00 -1.72 0.00 0.00 179.24 179.47 1iru h LEU 62 N 0.91 -0.11 -0.41 0.00 3.38 -1.20 0.36 115.31 118.24 1iru h LEU 62 Ca 0.32 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1iru h LEU 62 Cb 0.09 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1iru h LEU 62 CO -0.14 0.06 0.20 0.74 0.09 0.00 0.00 178.44 179.39 1iru h THR 63 N -0.28 1.17 -0.26 0.22 2.02 -1.12 -2.15 112.91 112.51 1iru h THR 63 Ca -0.01 -0.49 0.02 0.00 0.77 0.00 0.00 66.41 66.70 1iru h THR 63 Cb 0.23 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1iru h THR 63 CO 0.02 0.19 0.10 0.25 0.37 0.00 0.00 175.52 176.45 1iru h LEU 64 N 0.52 0.13 -0.40 2.58 5.85 0.28 -1.40 115.31 122.88 1iru h LEU 64 Ca 0.14 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.96 1iru h LEU 64 Cb 0.11 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 1iru h LEU 64 CO -0.02 0.11 0.00 0.74 -0.34 0.00 0.00 178.44 178.93 1iru h THR 65 N 0.23 0.70 -0.06 1.05 2.02 -0.68 0.21 112.91 116.38 1iru h THR 65 Ca 0.11 -0.04 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 1iru h THR 65 Cb 0.07 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1iru h THR 65 CO -0.10 0.02 -0.26 0.11 0.37 0.00 0.00 175.52 175.66 1iru h LYS 66 N 0.11 0.11 -0.15 6.66 1.57 -0.97 -1.45 116.57 122.44 1iru h LYS 66 Ca 0.20 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 1iru h LYS 66 Cb 0.28 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1iru h LYS 66 CO -0.32 0.36 -0.13 0.82 -0.57 0.00 0.00 179.45 179.61 1iru h ILE 67 N 0.10 1.34 -0.32 1.86 2.04 -0.13 -2.47 117.51 119.92 1iru h ILE 67 Ca 0.02 -1.26 0.03 0.00 1.00 0.00 0.00 64.86 64.64 1iru h ILE 67 Cb 0.51 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1iru h ILE 67 CO 0.04 0.37 0.14 0.40 0.00 0.00 0.00 178.15 179.10 1iru h ILE 68 N 0.00 0.96 -0.16 -0.67 2.04 -0.63 -1.31 117.51 117.75 1iru h ILE 68 Ca 0.03 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1iru h ILE 68 Cb 0.64 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 1iru h ILE 68 CO 0.03 0.05 -0.20 -0.33 0.00 0.00 0.00 178.15 177.71 1iru h GLU 69 N 0.30 -0.23 -0.35 2.37 5.08 -1.23 -1.60 114.58 118.91 1iru h GLU 69 Ca 0.14 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1iru h GLU 69 Cb 0.07 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1iru h GLU 69 CO -0.11 -0.15 0.14 0.00 -1.00 0.00 0.00 179.01 177.89 1iru h ALA 70 N 0.79 0.42 0.00 3.43 0.00 -1.20 -2.54 119.26 120.16 1iru h ALA 70 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1iru h ALA 70 Cb 0.40 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1iru h ALA 70 CO -0.29 -0.24 -0.06 0.00 0.00 0.00 0.00 179.25 178.65 1iru h ARG 71 N 0.30 0.00 -0.28 0.00 3.08 -0.56 -1.33 114.38 115.60 1iru h ARG 71 Ca 0.16 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 1iru h ARG 71 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1iru h ARG 71 CO -0.14 0.06 -0.29 -0.07 -1.07 0.00 0.00 179.97 178.46 1iru h LEU 72 N 0.00 0.74 -0.74 3.04 3.38 -0.91 -1.47 115.31 119.36 1iru h LEU 72 Ca -0.00 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.54 1iru h LEU 72 Cb 0.13 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1iru h LEU 72 CO 0.01 1.06 0.45 0.11 0.09 0.00 0.00 178.44 180.17 1iru h LYS 73 N 0.43 0.84 -0.19 1.13 1.57 -0.96 -0.30 116.57 119.09 1iru h LYS 73 Ca 0.04 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1iru h LYS 73 Cb 0.86 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1iru h LYS 73 CO 0.07 0.55 0.11 0.52 -0.57 0.00 0.00 179.45 180.14 1iru h MET 74 N 0.86 0.26 -0.63 3.15 2.86 -1.14 -1.17 114.93 119.12 1iru h MET 74 Ca 0.31 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.98 1iru h MET 74 Cb 0.08 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.63 1iru h MET 74 CO -0.14 0.23 0.34 -0.92 1.06 0.00 0.00 176.91 177.48 1iru h TYR 75 N 0.22 0.62 -0.04 -0.22 3.20 -0.74 -0.01 116.97 120.00 1iru h TYR 75 Ca 0.07 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1iru h TYR 75 Cb 0.04 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 1iru h TYR 75 CO -0.05 0.29 0.02 -0.22 -1.64 0.00 0.00 178.16 176.56 1iru h LYS 76 N 0.62 0.05 -0.80 1.82 3.64 -0.63 0.29 116.57 121.57 1iru h LYS 76 Ca 0.29 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1iru h LYS 76 Cb 0.20 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1iru h LYS 76 CO -0.19 0.09 0.53 0.45 -2.27 0.00 0.00 179.45 178.06 1iru h HIS 77 N -0.00 1.00 -0.04 1.91 3.86 -0.76 0.24 115.15 121.34 1iru h HIS 77 Ca 0.01 0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.06 1iru h HIS 77 Cb 0.05 -0.34 0.01 0.00 1.06 0.00 0.00 27.41 28.20 1iru h HIS 77 CO -0.06 0.62 -0.72 1.03 0.86 0.00 0.00 177.93 179.67 1iru h SER 78 N 1.07 0.71 -0.05 2.45 0.87 -0.58 -3.37 113.55 114.65 1iru h SER 78 Ca 0.29 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1iru h SER 78 Cb -0.11 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.64 1iru h SER 78 CO -0.07 1.32 0.00 0.59 -0.53 0.00 0.00 176.83 178.14 1iru n ASN 79 N -4.09 1.94 -0.55 6.23 4.13 0.97 -4.99 115.26 118.89 1iru n ASN 79 Ca -0.10 -1.48 -0.07 0.00 1.68 0.00 0.00 54.58 54.61 1iru n ASN 79 Cb 0.72 -0.02 -0.03 0.00 -1.54 0.00 0.00 39.78 38.90 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 0.53 -4.85 -4.14 6.41 3.02 0.83 -4.97 115.26 112.08 1iru n ASN 80 Ca 0.06 0.18 -0.11 0.00 -0.03 0.00 0.00 54.58 54.68 1iru n ASN 80 Cb 0.26 -2.99 -0.09 0.00 -0.61 0.00 0.00 39.78 36.36 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 -2.29 1.14 0.52 3.52 -2.85 -1.25 -5.04 119.74 113.49 1iru s LYS 81 Ca 0.00 -1.49 -0.06 0.00 -1.00 0.00 0.00 55.97 53.42 1iru s LYS 81 Cb 0.00 0.29 -0.03 0.00 -2.06 0.00 0.00 37.83 36.03 1iru s LYS 81 CO 0.00 -0.38 0.84 0.00 0.10 0.00 0.00 175.35 175.91 1iru s ALA 82 N -4.09 3.34 0.06 0.59 0.00 -1.26 -3.82 121.76 116.58 1iru s ALA 82 Ca 0.31 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.51 1iru s ALA 82 Cb 0.06 -2.67 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 1iru s ALA 82 CO 0.07 -0.46 0.95 -1.64 0.00 0.00 0.00 175.76 174.68 1iru s MET 83 N -4.84 4.63 0.39 0.00 -1.94 -1.26 -5.02 119.30 111.25 1iru s MET 83 Ca 0.49 1.41 -0.25 0.00 -1.71 0.00 0.00 55.69 55.63 1iru s MET 83 Cb -0.10 -3.41 -0.09 0.00 2.01 0.00 0.00 34.83 33.24 1iru s MET 83 CO 0.46 0.11 1.08 0.95 -0.01 0.00 0.00 175.02 177.62 1iru s THR 84 N 0.40 3.57 0.36 2.05 -4.23 -1.26 -4.80 115.64 111.72 1iru s THR 84 Ca 0.48 1.27 0.18 0.00 -1.18 0.00 0.00 61.69 62.43 1iru s THR 84 Cb -0.22 -3.68 0.34 0.00 1.34 0.00 0.00 72.50 70.27 1iru s THR 84 CO 0.29 0.07 1.62 0.74 -0.54 0.00 0.00 174.62 176.79 1iru h THR 85 N 2.31 0.14 -0.46 3.99 2.02 -1.88 0.28 112.91 119.31 1iru h THR 85 Ca -0.48 -0.05 -0.13 0.00 0.77 0.00 0.00 66.41 66.52 1iru h THR 85 Cb 1.22 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1iru h THR 85 CO 0.63 0.03 -0.20 1.23 0.37 0.00 0.00 175.52 177.57 1iru h GLY 86 N 0.16 1.01 1.35 2.16 0.00 -1.90 -2.13 103.07 103.71 1iru h GLY 86 Ca 0.79 -0.88 -0.16 0.00 0.00 0.00 0.00 47.33 47.08 1iru h GLY 86 CO -0.69 0.80 -0.49 0.00 0.00 0.00 0.00 176.54 176.16 1iru h ALA 87 N 0.95 0.66 -0.81 3.60 0.00 -0.85 -1.56 119.26 121.24 1iru h ALA 87 Ca 0.11 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1iru h ALA 87 Cb 0.76 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1iru h ALA 87 CO 0.06 0.68 0.53 0.82 0.00 0.00 0.00 179.25 181.34 1iru h ILE 88 N 0.55 1.19 -0.63 0.00 2.04 -1.15 0.86 117.51 120.37 1iru h ILE 88 Ca 0.03 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 1iru h ILE 88 Cb 1.05 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1iru h ILE 88 CO 0.10 0.20 0.21 0.00 0.00 0.00 0.00 178.15 178.65 1iru h ALA 89 N 1.30 0.82 -0.63 1.87 0.00 -1.18 0.11 119.26 121.56 1iru h ALA 89 Ca 0.30 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1iru h ALA 89 Cb -0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1iru h ALA 89 CO -0.07 0.48 0.20 0.00 0.00 0.00 0.00 179.25 179.87 1iru h ALA 90 N 1.08 0.82 0.28 0.00 0.00 -0.64 -2.54 119.26 118.26 1iru h ALA 90 Ca 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1iru h ALA 90 Cb 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1iru h ALA 90 CO -0.01 0.48 -0.14 1.98 0.00 0.00 0.00 179.25 181.57 1iru h MET 91 N 0.89 -0.36 -1.11 0.00 -1.53 -0.55 -2.79 114.93 109.48 1iru h MET 91 Ca 0.20 0.02 0.31 0.00 -3.44 0.00 0.00 59.70 56.80 1iru h MET 91 Cb 0.28 0.08 -0.05 0.00 -0.55 0.00 0.00 31.60 31.36 1iru h MET 91 CO -0.01 -0.09 0.78 1.25 0.14 0.00 0.00 176.91 178.98 1iru h LEU 92 N -0.61 0.09 -0.23 3.39 5.85 -0.65 0.14 115.31 123.29 1iru h LEU 92 Ca -0.04 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 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 0.02 0.05 -1.28 -0.34 0.00 0.00 178.44 176.95 1iru h SER 93 N 0.08 0.35 0.10 1.25 0.87 -1.18 -0.71 113.55 114.31 1iru h SER 93 Ca 0.55 -0.23 -0.14 0.00 -1.23 0.00 0.00 61.79 60.73 1iru h SER 93 Cb 2.02 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.88 1iru h SER 93 CO -0.07 0.49 -0.48 0.71 -0.53 0.00 0.00 176.83 176.96 1iru h THR 94 N 0.19 1.32 -0.51 2.23 1.35 -0.73 -1.08 112.91 115.68 1iru h THR 94 Ca 0.07 -1.70 -0.05 0.00 -0.55 0.00 0.00 66.41 64.19 1iru h THR 94 Cb 0.28 1.72 -0.02 0.00 -1.73 0.00 0.00 68.15 68.40 1iru h THR 94 CO 0.00 0.52 0.12 0.40 -0.25 0.00 0.00 175.52 176.32 1iru h ILE 95 N 0.35 1.24 -0.37 6.82 2.04 -1.06 -1.08 117.51 125.46 1iru h ILE 95 Ca 0.02 -0.85 -0.07 0.00 1.00 0.00 0.00 64.86 64.96 1iru h ILE 95 Cb 0.98 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1iru h ILE 95 CO 0.09 0.31 -0.08 -0.07 0.00 0.00 0.00 178.15 178.39 1iru h LEU 96 N 0.70 0.60 -1.00 1.44 3.38 -0.95 -2.81 115.31 116.67 1iru h LEU 96 Ca 0.16 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1iru h LEU 96 Cb 0.33 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1iru h LEU 96 CO 0.00 0.73 -0.11 0.22 0.09 0.00 0.00 178.44 179.37 1iru h TYR 97 N 0.58 0.00 0.00 1.13 3.20 -0.53 -2.82 116.97 118.52 1iru h TYR 97 Ca 0.11 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1iru h TYR 97 Cb 0.48 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 1iru h TYR 97 CO 0.02 0.11 -0.02 0.66 -1.64 0.00 0.00 178.16 177.29 1iru h SER 98 N 0.00 0.00 -0.70 -2.11 4.64 -0.94 -1.11 113.55 113.33 1iru h SER 98 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 1iru h SER 98 Cb 0.73 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.65 1iru h SER 98 CO 0.01 0.02 0.29 0.54 -0.87 0.00 0.00 176.83 176.83 1iru n ARG 99 N -3.19 2.85 -0.33 4.77 5.12 -1.06 -4.69 116.66 120.12 1iru n ARG 99 Ca -0.01 -3.07 0.25 0.00 -1.93 0.00 0.00 57.85 53.09 1iru n ARG 99 Cb 0.19 -2.09 0.55 0.00 -1.16 0.00 0.00 32.46 29.95 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 1.77 0.31 -0.64 5.56 9.65 -1.30 0.33 114.38 130.05 1iru h ARG 100 Ca 0.34 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.20 1iru h ARG 100 Cb 2.28 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 30.80 1iru h ARG 100 CO 0.73 0.20 0.00 1.19 2.80 0.00 0.00 179.97 184.90 1iru n PHE 101 N -4.57 0.86 -2.73 2.20 3.01 -1.26 -4.36 117.46 110.60 1iru n PHE 101 Ca 0.26 -0.50 -0.08 0.00 1.01 0.00 0.00 57.45 58.14 1iru n PHE 101 Cb 0.97 -0.01 0.07 0.00 -0.01 0.00 0.00 39.48 40.50 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 1.39 -2.86 -1.39 1.38 7.35 0.07 -5.16 117.46 118.25 1iru n PHE 102 Ca 0.22 -1.83 -0.39 0.00 -0.76 0.00 0.00 57.45 54.69 1iru n PHE 102 Cb 0.58 1.56 0.02 0.00 0.35 0.00 0.00 39.48 41.99 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 0.99 0.33 -2.87 -7.13 -0.02 0.95 -4.77 135.00 122.48 1iru n PRO 103 Ca 0.06 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 1iru n PRO 103 Cb 0.67 -1.43 -0.04 0.00 -0.02 0.00 0.00 33.50 32.68 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 -1.79 3.11 -1.04 6.00 1.51 -1.26 -4.93 117.35 118.95 1iru s TYR 104 Ca 0.64 0.71 -0.23 0.00 -1.01 0.00 0.00 57.07 57.19 1iru s TYR 104 Cb -0.48 -3.50 -0.01 0.00 -0.11 0.00 0.00 41.96 37.85 1iru s TYR 104 CO 0.59 -0.76 1.77 -0.47 -1.11 0.00 0.00 175.55 175.57 1iru s TYR 105 N 3.28 2.17 -0.14 2.71 5.04 -1.26 -4.66 117.35 124.49 1iru s TYR 105 Ca 0.35 -0.11 -0.12 0.00 -2.44 0.00 0.00 57.07 54.75 1iru s TYR 105 Cb -0.13 -4.32 0.04 0.00 0.35 0.00 0.00 41.96 37.90 1iru s TYR 105 CO 0.17 -1.72 0.37 0.08 -1.34 0.00 0.00 175.55 173.11 1iru s VAL 106 N 8.01 -0.00 -0.31 3.14 1.01 -1.26 -1.77 120.40 129.21 1iru s VAL 106 Ca 0.61 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1iru s VAL 106 Cb -0.02 -0.52 0.07 0.00 0.00 0.00 0.00 36.38 35.90 1iru s VAL 106 CO -0.00 0.01 0.00 -0.31 0.00 0.00 0.00 175.10 174.80 1iru s TYR 107 N 0.38 3.39 0.04 5.22 1.51 -0.18 -2.64 117.35 125.07 1iru s TYR 107 Ca -0.01 -2.27 0.00 0.00 -1.01 0.00 0.00 57.07 53.78 1iru s TYR 107 Cb -0.04 -2.34 -0.04 0.00 -0.11 0.00 0.00 41.96 39.43 1iru s TYR 107 CO -0.01 -0.87 0.15 -0.80 -1.11 0.00 0.00 175.55 172.90 1iru s ASN 108 N 1.23 6.05 -0.05 2.29 0.01 -1.25 -2.20 114.94 121.01 1iru s ASN 108 Ca -0.02 0.20 -0.01 0.00 -0.71 0.00 0.00 52.86 52.32 1iru s ASN 108 Cb -0.20 -1.80 0.03 0.00 0.41 0.00 0.00 41.25 39.69 1iru s ASN 108 CO -0.04 0.21 0.00 -0.63 -1.51 0.00 0.00 177.10 175.14 1iru s ILE 109 N -1.38 0.27 -0.19 0.60 1.01 -0.23 -1.68 121.20 119.60 1iru s ILE 109 Ca 0.30 0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.99 1iru s ILE 109 Cb -0.13 -0.42 -0.05 0.00 0.01 0.00 0.00 42.46 41.88 1iru s ILE 109 CO 0.22 0.22 0.10 -0.63 0.00 0.00 0.00 174.94 174.84 1iru s ILE 110 N 1.63 5.13 -0.10 2.92 1.01 0.21 -0.82 121.20 131.17 1iru s ILE 110 Ca -0.01 0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.75 1iru s ILE 110 Cb -0.13 -3.33 0.01 0.00 0.01 0.00 0.00 42.46 39.03 1iru s ILE 110 CO -0.03 0.45 -0.14 -0.83 0.00 0.00 0.00 174.94 174.39 1iru s GLY 111 N 0.36 0.97 0.00 6.18 0.00 0.20 -0.82 107.32 114.21 1iru s GLY 111 Ca 0.06 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1iru s GLY 111 CO -0.01 0.22 0.00 0.61 0.00 0.00 0.00 173.10 173.92 1iru n GLY 112 N 4.13 1.45 3.39 0.20 0.00 0.27 -0.28 105.19 114.36 1iru n GLY 112 Ca -0.19 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 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 2.45 0.83 0.99 1.43 -0.73 0.12 118.68 123.77 1iru s LEU 113 Ca 0.00 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.66 1iru s LEU 113 Cb 0.00 -1.47 0.11 0.00 0.03 0.00 0.00 46.19 44.86 1iru s LEU 113 CO 0.00 0.31 1.18 1.51 0.23 0.00 0.00 176.35 179.58 1iru s ASP 114 N -0.54 4.15 0.54 2.29 3.84 -0.00 -4.40 116.67 122.55 1iru s ASP 114 Ca 0.07 0.50 0.22 0.00 -0.00 0.00 0.00 52.55 53.35 1iru s ASP 114 Cb -0.11 -0.89 1.41 0.00 -1.38 0.00 0.00 42.92 41.95 1iru s ASP 114 CO 0.01 -2.09 2.10 -0.33 -0.00 0.00 0.00 175.17 174.86 1iru h GLU 115 N -1.11 0.00 0.00 2.11 4.39 -1.99 0.65 114.58 118.63 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 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1iru h GLU 115 CO 0.55 0.00 0.00 -1.91 -1.16 0.00 0.00 179.01 176.49 1iru n GLU 116 N -4.32 0.81 0.00 2.33 2.13 -1.26 -4.87 120.64 115.45 1iru n GLU 116 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1iru n GLU 116 Cb 0.30 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 30.67 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 0.52 2.65 3.80 8.31 0.00 0.22 -5.04 105.19 115.64 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 1.24 0.37 1.61 1.02 -1.26 -4.70 119.74 117.60 1iru s LYS 118 Ca 0.00 0.29 -0.22 0.00 0.02 0.00 0.00 55.97 56.07 1iru s LYS 118 Cb 0.00 -1.85 -0.10 0.00 -0.52 0.00 0.00 37.83 35.36 1iru s LYS 118 CO 0.00 -2.13 0.91 0.20 -0.92 0.00 0.00 175.35 173.41 1iru s GLY 119 N -4.06 2.53 -0.03 -3.33 0.00 -1.01 -0.82 107.32 100.60 1iru s GLY 119 Ca 0.63 0.39 -0.07 0.00 0.00 0.00 0.00 44.72 45.68 1iru s GLY 119 CO 0.53 0.72 0.15 0.00 0.00 0.00 0.00 173.10 174.50 1iru s ALA 120 N -1.94 -0.36 -0.02 3.20 0.00 0.31 -4.72 121.76 118.23 1iru s ALA 120 Ca 0.56 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1iru s ALA 120 Cb -0.13 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 22.96 1iru s ALA 120 CO 0.17 -0.15 0.01 0.08 0.00 0.00 0.00 175.76 175.88 1iru s VAL 121 N -0.71 0.05 -0.06 0.00 1.01 -1.25 -0.57 120.40 118.87 1iru s VAL 121 Ca -0.08 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1iru s VAL 121 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.18 1iru s VAL 121 CO 0.01 0.11 -0.16 -0.31 0.00 0.00 0.00 175.10 174.75 1iru s TYR 122 N 0.97 1.72 0.03 5.22 1.51 0.00 -0.31 117.35 126.50 1iru s TYR 122 Ca -0.09 -0.59 0.05 0.00 -1.01 0.00 0.00 57.07 55.43 1iru s TYR 122 Cb -0.12 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.50 1iru s TYR 122 CO -0.02 -0.25 -0.09 -1.54 -1.11 0.00 0.00 175.55 172.54 1iru s SER 123 N 0.35 4.44 0.12 2.29 1.04 -0.77 -0.62 113.70 120.55 1iru s SER 123 Ca -0.11 -0.24 0.05 0.00 0.48 0.00 0.00 55.95 56.13 1iru s SER 123 Cb -0.14 -0.95 -0.04 0.00 0.10 0.00 0.00 66.02 64.99 1iru s SER 123 CO 0.04 0.26 -0.12 -0.36 0.98 0.00 0.00 173.24 174.03 1iru s PHE 124 N -1.03 1.27 0.35 5.02 0.40 -0.68 -2.82 117.98 120.49 1iru s PHE 124 Ca 0.18 -0.61 0.07 0.00 -0.60 0.00 0.00 56.93 55.97 1iru s PHE 124 Cb -0.11 -0.67 -0.02 0.00 0.51 0.00 0.00 43.02 42.73 1iru s PHE 124 CO 0.09 0.09 0.39 0.16 0.70 0.00 0.00 175.22 176.65 1iru s ASP 125 N -2.55 5.56 0.58 1.36 1.47 -0.63 -3.92 116.67 118.55 1iru s ASP 125 Ca 0.09 -0.39 0.32 0.00 1.18 0.00 0.00 52.55 53.75 1iru s ASP 125 Cb -0.03 -1.02 1.40 0.00 -0.34 0.00 0.00 42.92 42.93 1iru s ASP 125 CO 0.02 -0.44 1.73 1.55 0.68 0.00 0.00 175.17 178.71 1iru h PRO 126 N 1.05 0.00 -0.44 2.11 0.13 -1.77 -1.71 132.00 131.36 1iru h PRO 126 Ca -0.44 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 1iru h PRO 126 Cb 1.26 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.34 1iru h PRO 126 CO 0.55 0.00 0.06 1.33 -0.23 0.00 0.00 178.00 179.71 1iru n VAL 127 N -3.78 2.57 -0.06 1.56 0.24 -1.26 -4.27 118.33 113.33 1iru n VAL 127 Ca 0.19 -1.88 0.00 0.00 -2.04 0.00 0.00 64.34 60.61 1iru n VAL 127 Cb 1.11 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 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 -0.36 0.49 3.71 7.63 0.00 -0.64 -3.63 105.19 112.39 1iru n GLY 128 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.57 6.77 0.25 1.61 0.15 -1.26 -4.68 113.70 113.97 1iru s SER 129 Ca 0.00 2.38 -0.12 0.00 0.70 0.00 0.00 55.95 58.91 1iru s SER 129 Cb 0.00 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 1iru s SER 129 CO 0.00 -0.71 0.45 -0.72 1.20 0.00 0.00 173.24 173.46 1iru s TYR 130 N 1.30 0.44 0.27 3.44 -0.85 -1.26 -1.60 117.35 119.09 1iru s TYR 130 Ca 0.66 -0.79 -0.20 0.00 -0.52 0.00 0.00 57.07 56.22 1iru s TYR 130 Cb -0.38 0.13 0.06 0.00 0.38 0.00 0.00 41.96 42.15 1iru s TYR 130 CO 0.30 -0.97 0.90 1.14 -1.52 0.00 0.00 175.55 175.40 1iru s GLN 131 N -4.01 1.71 0.07 -3.49 -2.07 -1.13 -5.00 119.66 105.74 1iru s GLN 131 Ca 0.24 -1.06 0.02 0.00 -1.82 0.00 0.00 55.36 52.73 1iru s GLN 131 Cb -0.00 0.50 -0.04 0.00 -1.09 0.00 0.00 33.01 32.38 1iru s GLN 131 CO 0.09 -0.80 0.13 0.50 -1.32 0.00 0.00 175.29 173.90 1iru s ARG 132 N -2.58 3.11 0.22 9.60 3.52 -1.26 -1.85 118.95 129.70 1iru s ARG 132 Ca 0.17 -0.58 -0.03 0.00 -0.13 0.00 0.00 55.73 55.16 1iru s ARG 132 Cb -0.04 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.46 1iru s ARG 132 CO 0.07 0.59 0.20 -0.51 -0.81 0.00 0.00 175.30 174.85 1iru s ASP 133 N -2.39 0.18 0.02 -2.12 1.01 0.58 -4.95 116.67 109.00 1iru s ASP 133 Ca 0.31 -1.32 -0.11 0.00 0.71 0.00 0.00 52.55 52.14 1iru s ASP 133 Cb -0.12 0.43 -0.32 0.00 1.01 0.00 0.00 42.92 43.91 1iru s ASP 133 CO 0.24 -0.91 0.95 0.28 0.21 0.00 0.00 175.17 175.94 1iru h SER 134 N 2.53 0.67 -4.98 0.27 0.02 -1.91 -3.32 113.55 106.82 1iru h SER 134 Ca -0.34 -0.78 -0.06 0.00 -0.84 0.00 0.00 61.79 59.77 1iru h SER 134 Cb 1.25 -0.22 -0.19 0.00 0.14 0.00 0.00 62.40 63.38 1iru h SER 134 CO 0.49 1.62 0.16 0.72 -1.14 0.00 0.00 176.83 178.69 1iru s PHE 135 N -2.61 -0.64 -0.10 3.45 -0.12 -1.26 0.66 117.98 117.36 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 42.94 1iru s PHE 135 CO 0.91 -0.59 0.86 0.21 -0.05 0.00 0.00 175.22 176.55 1iru s LYS 136 N -1.17 0.80 0.03 1.99 2.20 -0.21 -5.00 119.74 118.39 1iru s LYS 136 Ca -0.11 0.14 0.04 0.00 -0.36 0.00 0.00 55.97 55.68 1iru s LYS 136 Cb -0.00 0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 36.68 1iru s LYS 136 CO 0.10 -0.26 -0.11 0.00 -0.36 0.00 0.00 175.35 174.71 1iru s ALA 137 N -1.36 0.92 0.10 3.13 0.00 -1.26 -1.25 121.76 122.04 1iru s ALA 137 Ca -0.05 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1iru s ALA 137 Cb -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1iru s ALA 137 CO 0.04 0.16 -0.05 0.20 0.00 0.00 0.00 175.76 176.11 1iru s GLY 138 N -0.95 0.76 0.00 0.00 0.00 0.57 -4.81 107.32 102.88 1iru s GLY 138 Ca -0.00 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.37 1iru s GLY 138 CO 0.01 -1.43 0.00 0.61 0.00 0.00 0.00 173.10 172.28 1iru n GLY 139 N -0.03 -0.58 0.09 0.20 0.00 -1.26 -0.34 105.19 103.26 1iru n GLY 139 Ca -0.12 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.11 0.30 1.61 4.64 -1.89 -2.34 113.55 115.76 1iru h SER 140 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1iru h SER 140 Cb 0.00 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1iru h SER 140 CO 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 176.83 175.92 1iru n ALA 141 N -2.17 1.87 -0.25 5.18 0.00 -1.26 -4.09 120.51 119.78 1iru n ALA 141 Ca -0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 1iru n ALA 141 Cb 0.10 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.29 -0.60 0.00 0.00 2.88 -0.88 0.25 113.62 113.98 1iru n SER 142 Ca 0.07 1.05 0.11 0.00 -1.33 0.00 0.00 58.87 58.78 1iru n SER 142 Cb 0.13 -0.15 0.57 0.00 -0.75 0.00 0.00 64.21 64.01 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 -3.57 2.17 -0.04 -1.46 0.00 -1.26 -2.63 120.51 113.72 1iru n ALA 143 Ca 0.02 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1iru n ALA 143 Cb 0.16 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.11 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 0.10 0.00 2.86 0.31 -3.41 114.93 114.94 1iru h MET 144 Ca 0.00 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1iru h MET 144 Cb 0.24 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1iru h MET 144 CO 0.00 1.12 -0.05 -0.07 1.06 0.00 0.00 176.91 178.98 1iru h LEU 145 N -0.44 -0.11 -0.40 1.22 3.38 -1.04 -3.39 115.31 114.53 1iru h LEU 145 Ca -0.37 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.23 1iru h LEU 145 Cb 1.68 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 42.41 1iru h LEU 145 CO -0.04 0.38 -0.24 0.00 0.09 0.00 0.00 178.44 178.63 1iru n GLN 146 N -4.92 -0.18 -0.34 1.13 1.13 -1.08 -2.29 117.38 110.84 1iru n GLN 146 Ca -0.08 1.19 0.16 0.00 -1.94 0.00 0.00 57.00 56.32 1iru n GLN 146 Cb 0.26 -1.77 0.31 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 0.01 -0.16 -1.09 0.11 -1.79 0.53 132.00 129.62 1iru h PRO 147 Ca 0.06 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 1iru h PRO 147 Cb 0.16 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1iru h PRO 147 CO -0.38 0.01 -0.14 1.25 -0.21 0.00 0.00 178.00 178.53 1iru h LEU 148 N 0.01 0.25 -0.17 2.35 5.85 -1.67 -2.74 115.31 119.19 1iru h LEU 148 Ca 0.62 -0.05 -0.23 0.00 0.84 0.00 0.00 57.88 59.06 1iru h LEU 148 Cb 1.31 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1iru h LEU 148 CO -0.90 0.41 -0.95 -0.07 -0.34 0.00 0.00 178.44 176.60 1iru h LEU 149 N 0.24 0.51 -1.27 2.25 3.38 0.05 -0.01 115.31 120.47 1iru h LEU 149 Ca 0.05 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.65 1iru h LEU 149 Cb 0.40 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1iru h LEU 149 CO 0.02 1.22 0.52 0.44 0.09 0.00 0.00 178.44 180.73 1iru h ASP 150 N 0.22 0.80 0.13 -0.43 3.32 -0.94 0.17 116.42 119.69 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 1.58 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.96 1iru h ASP 150 CO 0.16 0.53 -0.06 -1.13 -1.72 0.00 0.00 179.24 177.02 1iru h ASN 151 N 0.92 -0.15 -0.17 6.45 -1.24 -1.44 -2.61 115.58 117.34 1iru h ASN 151 Ca 0.33 0.01 -0.06 0.00 0.71 0.00 0.00 56.30 57.28 1iru h ASN 151 Cb 0.13 0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.22 1iru h ASN 151 CO -0.10 0.31 -0.12 1.56 -1.29 0.00 0.00 177.43 177.79 1iru h GLN 152 N -1.03 0.38 0.00 6.67 1.08 -0.96 -1.18 115.11 120.08 1iru h GLN 152 Ca -0.02 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 56.99 1iru h GLN 152 Cb 0.14 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1iru h GLN 152 CO 0.03 0.72 -1.13 0.28 -0.95 0.00 0.00 178.83 177.78 1iru n VAL 153 N -4.57 0.62 0.50 -0.54 0.31 0.55 -4.18 118.33 111.02 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 0.34 -0.34 0.06 0.00 -0.91 0.00 0.00 33.84 32.99 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 0.07 4.10 2.92 0.00 -0.87 -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 45.32 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 0.75 -1.62 -3.55 1.61 3.01 -0.45 -4.91 117.46 112.31 1iru n PHE 155 Ca 0.08 0.74 -0.35 0.00 1.01 0.00 0.00 57.45 58.94 1iru n PHE 155 Cb 0.34 -3.32 -0.05 0.00 -0.01 0.00 0.00 39.48 36.43 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 -6.81 3.79 0.00 -1.08 1.02 -1.01 -4.09 119.74 111.57 1iru s LYS 156 Ca 0.26 0.22 0.00 0.00 0.02 0.00 0.00 55.97 56.47 1iru s LYS 156 Cb -0.14 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 1iru s LYS 156 CO 0.92 0.55 0.00 0.09 -0.92 0.00 0.00 175.35 175.99 1iru n ASN 157 N 0.90 -3.78 -4.31 2.83 3.02 -1.26 -4.56 115.26 108.11 1iru n ASN 157 Ca -0.08 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.13 1iru n ASN 157 Cb 0.52 -2.12 -0.14 0.00 -0.61 0.00 0.00 39.78 37.43 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 -1.07 3.35 0.15 3.52 -1.94 -1.26 -5.11 119.30 116.95 1iru s MET 158 Ca 0.00 -0.65 -0.14 0.00 -1.71 0.00 0.00 55.69 53.19 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 -0.09 0.55 -1.14 -0.01 0.00 0.00 175.02 174.33 1iru s GLN 159 N 1.18 3.97 -0.76 2.03 -0.44 -1.26 -4.51 119.66 119.88 1iru s GLN 159 Ca 0.02 0.49 -0.06 0.00 -2.50 0.00 0.00 55.36 53.31 1iru s GLN 159 Cb -0.14 -2.91 0.01 0.00 -1.64 0.00 0.00 33.01 28.32 1iru s GLN 159 CO -0.02 0.47 0.62 0.27 0.50 0.00 0.00 175.29 177.13 1iru n ASN 160 N 0.75 -5.38 -4.45 6.67 6.94 -1.26 -5.01 115.26 113.52 1iru n ASN 160 Ca -0.05 -0.71 -0.22 0.00 -0.02 0.00 0.00 54.58 53.58 1iru n ASN 160 Cb 0.52 -2.21 -0.10 0.00 -2.36 0.00 0.00 39.78 35.63 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 -2.77 1.83 -0.47 3.53 -7.23 -1.26 -5.11 120.40 108.91 1iru s VAL 161 Ca 0.06 -2.16 -0.18 0.00 -1.81 0.00 0.00 61.98 57.88 1iru s VAL 161 Cb -0.01 -2.46 0.05 0.00 0.56 0.00 0.00 36.38 34.52 1iru s VAL 161 CO 0.87 -0.30 0.54 -1.83 -0.31 0.00 0.00 175.10 174.08 1iru s GLU 162 N -3.68 3.11 -0.58 4.82 1.03 -1.26 -4.96 118.70 117.17 1iru s GLU 162 Ca 0.30 -0.88 -0.04 0.00 0.03 0.00 0.00 54.97 54.38 1iru s GLU 162 Cb 0.03 -4.06 -0.07 0.00 -0.80 0.00 0.00 34.13 29.23 1iru s GLU 162 CO 0.13 -1.08 2.02 0.72 -1.33 0.00 0.00 175.26 175.72 1iru n HIS 163 N 5.89 0.86 -2.33 4.83 8.25 -1.26 -4.90 115.22 126.55 1iru n HIS 163 Ca -0.07 -1.50 -0.40 0.00 -0.26 0.00 0.00 57.72 55.49 1iru n HIS 163 Cb 0.46 -1.40 -0.03 0.00 1.12 0.00 0.00 29.99 30.14 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 3.10 3.19 0.56 1.59 0.11 -1.26 -4.99 120.40 122.71 1iru s VAL 164 Ca 0.35 1.16 -0.21 0.00 -2.93 0.00 0.00 61.98 60.35 1iru s VAL 164 Cb 0.11 -3.72 -0.04 0.00 -1.53 0.00 0.00 36.38 31.20 1iru s VAL 164 CO -0.02 0.24 1.31 -2.16 -3.33 0.00 0.00 175.10 171.15 1iru s PRO 165 N -1.73 3.07 -0.67 1.54 0.04 -1.26 -4.84 135.00 131.15 1iru s PRO 165 Ca 0.48 2.12 -0.26 0.00 0.04 0.00 0.00 61.00 63.38 1iru s PRO 165 Cb -0.34 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.98 1iru s PRO 165 CO 0.44 -1.21 2.15 -0.48 0.04 0.00 0.00 177.00 177.95 1iru s LEU 166 N -3.69 3.22 0.25 -3.56 -0.00 -1.26 -4.91 118.68 108.73 1iru s LEU 166 Ca 0.73 0.31 -0.31 0.00 -0.00 0.00 0.00 54.13 54.87 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 0.43 -2.90 1.58 -0.94 -0.00 0.00 0.00 176.35 174.52 1iru s SER 167 N 9.89 6.46 0.55 1.48 1.04 -1.26 -4.77 113.70 127.09 1iru s SER 167 Ca 0.82 2.84 0.37 0.00 0.48 0.00 0.00 55.95 60.45 1iru s SER 167 Cb -0.13 -2.62 1.54 0.00 0.10 0.00 0.00 66.02 64.91 1iru s SER 167 CO 0.16 -0.87 1.79 0.25 0.98 0.00 0.00 173.24 175.54 1iru h LEU 168 N 5.47 0.00 -0.04 2.42 5.85 -1.99 0.12 115.31 127.13 1iru h LEU 168 Ca -0.46 0.00 -0.02 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 0.00 178.44 178.10 1iru h ASP 169 N 0.00 0.13 -0.59 1.25 1.82 -2.00 -1.94 116.42 115.09 1iru h ASP 169 Ca 0.56 -0.52 -0.04 0.00 -0.39 0.00 0.00 57.03 56.64 1iru h ASP 169 Cb 2.29 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 42.24 1iru h ASP 169 CO -0.01 0.62 0.24 -0.09 -1.61 0.00 0.00 179.24 178.39 1iru h ARG 170 N -0.36 0.92 0.65 0.28 2.43 -1.20 -2.98 114.38 114.12 1iru h ARG 170 Ca 0.01 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1iru h ARG 170 Cb 0.59 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1iru h ARG 170 CO 0.01 0.76 -0.35 0.00 -1.51 0.00 0.00 179.97 178.88 1iru h ALA 171 N 1.36 -1.22 -1.42 2.80 0.00 -1.06 -1.42 119.26 118.30 1iru h ALA 171 Ca 0.21 -0.20 0.41 0.00 0.00 0.00 0.00 54.91 55.33 1iru h ALA 171 Cb 0.20 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1iru h ALA 171 CO -0.02 -1.17 1.19 0.52 0.00 0.00 0.00 179.25 179.78 1iru h MET 172 N -0.93 0.00 0.00 0.00 2.86 -1.23 0.78 114.93 116.42 1iru h MET 172 Ca -0.09 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.34 1iru h MET 172 Cb 0.73 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.35 1iru h MET 172 CO 0.12 0.00 -1.57 2.89 1.06 0.00 0.00 176.91 179.41 1iru n ARG 173 N -3.73 0.63 -0.10 1.72 1.85 -1.00 -2.91 116.66 113.12 1iru n ARG 173 Ca 0.32 0.21 -0.11 0.00 -1.00 0.00 0.00 57.85 57.27 1iru n ARG 173 Cb 1.63 -1.78 -0.04 0.00 -1.05 0.00 0.00 32.46 31.22 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 0.51 0.04 2.89 3.38 0.16 -0.58 115.31 121.71 1iru h LEU 174 Ca -0.22 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.45 1iru h LEU 174 Cb 1.72 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.30 1iru h LEU 174 CO 0.05 0.71 -0.21 0.58 0.09 0.00 0.00 178.44 179.66 1iru h VAL 175 N 0.30 0.51 -0.28 1.22 2.07 -1.27 -1.73 116.25 117.07 1iru h VAL 175 Ca 0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1iru h VAL 175 Cb 0.46 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1iru h VAL 175 CO 0.02 0.00 0.14 0.11 0.02 0.00 0.00 177.57 177.85 1iru h LYS 176 N -0.35 0.38 0.37 1.57 1.57 -1.39 -2.81 116.57 115.90 1iru h LYS 176 Ca 0.05 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1iru h LYS 176 Cb 0.41 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1iru h LYS 176 CO -0.17 0.30 -0.18 -0.44 -0.57 0.00 0.00 179.45 178.39 1iru h ASP 177 N 0.38 -0.42 -0.89 0.86 3.32 -0.39 -2.01 116.42 117.28 1iru h ASP 177 Ca 0.10 -0.09 0.16 0.00 0.02 0.00 0.00 57.03 57.23 1iru h ASP 177 Cb 0.04 0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.63 1iru h ASP 177 CO -0.01 0.03 0.58 -0.37 -1.72 0.00 0.00 179.24 177.74 1iru h VAL 178 N -1.05 0.78 0.00 -1.35 -1.51 -1.36 0.31 116.25 112.07 1iru h VAL 178 Ca -0.05 -0.20 -0.12 0.00 -1.23 0.00 0.00 66.70 65.10 1iru h VAL 178 Cb 0.48 0.13 -0.02 0.00 -2.13 0.00 0.00 31.29 29.76 1iru h VAL 178 CO 0.08 0.11 -0.55 -0.26 -1.23 0.00 0.00 177.57 175.72 1iru h PHE 179 N 0.59 0.00 0.09 5.19 -1.00 -1.56 0.17 116.94 120.43 1iru h PHE 179 Ca 0.46 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.98 1iru h PHE 179 Cb 0.87 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.43 1iru h PHE 179 CO -0.00 0.55 -1.17 0.82 -1.61 0.00 0.00 178.31 176.91 1iru h ILE 180 N 0.00 1.54 -0.11 -0.55 2.04 -0.03 -1.34 117.51 119.05 1iru h ILE 180 Ca -0.01 -3.09 -0.15 0.00 1.00 0.00 0.00 64.86 62.61 1iru h ILE 180 Cb 1.13 2.88 0.01 0.00 -0.74 0.00 0.00 36.82 40.10 1iru h ILE 180 CO 0.07 0.90 -0.52 0.28 0.00 0.00 0.00 178.15 178.88 1iru h SER 181 N 0.07 0.65 -0.36 1.72 0.02 -0.38 -3.19 113.55 112.08 1iru h SER 181 Ca -0.10 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 1iru h SER 181 Cb 1.89 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 64.22 1iru h SER 181 CO 0.18 1.18 0.23 0.00 -1.14 0.00 0.00 176.83 177.29 1iru h ALA 182 N 0.49 0.45 0.00 3.77 0.00 -0.71 -0.31 119.26 122.95 1iru h ALA 182 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1iru h ALA 182 Cb 1.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1iru h ALA 182 CO 0.11 -0.08 0.31 0.00 0.00 0.00 0.00 179.25 179.59 1iru h ALA 183 N 1.13 1.27 0.02 0.00 0.00 -1.23 0.14 119.26 120.58 1iru h ALA 183 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.79 1iru h ALA 183 Cb -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1iru h ALA 183 CO -0.03 -0.27 -1.31 0.93 0.00 0.00 0.00 179.25 178.57 1iru h GLU 184 N 0.00 0.04 0.00 0.00 4.39 -1.04 -3.41 114.58 114.56 1iru h GLU 184 Ca 0.00 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 1iru h GLU 184 Cb 0.62 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1iru h GLU 184 CO 0.00 0.85 -1.47 0.54 -1.16 0.00 0.00 179.01 177.76 1iru n ARG 185 N -3.26 1.09 -3.51 2.33 5.12 0.33 -4.95 116.66 113.81 1iru n ARG 185 Ca -0.08 -0.06 -0.42 0.00 -1.93 0.00 0.00 57.85 55.36 1iru n ARG 185 Cb 0.99 -1.22 -0.10 0.00 -1.16 0.00 0.00 32.46 30.97 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 5.95 0.62 0.55 2.15 -0.28 -4.93 116.67 117.33 1iru s ASP 186 Ca -0.04 -1.02 0.27 0.00 0.43 0.00 0.00 52.55 52.20 1iru s ASP 186 Cb 0.05 -2.10 1.49 0.00 -0.30 0.00 0.00 42.92 42.06 1iru s ASP 186 CO 0.37 -0.45 1.83 -0.37 -0.17 0.00 0.00 175.17 176.37 1iru h VAL 187 N 5.76 0.00 0.00 1.11 -1.51 -1.90 0.38 116.25 120.10 1iru h VAL 187 Ca -0.26 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 65.02 1iru h VAL 187 Cb 1.11 0.61 -0.03 0.00 -2.13 0.00 0.00 31.29 30.85 1iru h VAL 187 CO 0.72 0.00 -0.96 1.88 -1.23 0.00 0.00 177.57 177.98 1iru h TYR 188 N 0.00 0.00 -3.31 5.19 -1.99 -1.94 -3.45 116.97 111.47 1iru h TYR 188 Ca 0.00 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.16 1iru h TYR 188 Cb 0.68 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.35 1iru h TYR 188 CO 0.00 0.82 -0.03 0.99 -0.00 0.00 0.00 178.16 179.94 1iru s THR 189 N -2.79 5.01 -3.86 -2.88 2.01 0.12 -4.44 115.64 108.81 1iru s THR 189 Ca 0.01 1.20 0.00 0.00 0.31 0.00 0.00 61.69 63.21 1iru s THR 189 Cb 0.09 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.68 1iru s THR 189 CO 0.80 0.37 0.00 0.61 -0.69 0.00 0.00 174.62 175.71 1iru n GLY 190 N 2.75 -1.44 5.00 4.40 0.00 -1.26 -4.55 105.19 110.08 1iru n GLY 190 Ca -0.06 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 2.32 0.00 -3.68 1.61 10.43 0.11 -4.01 116.55 123.33 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 -1.27 -0.17 2.24 0.00 -1.26 -2.18 121.76 119.12 1iru s ALA 192 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 51.96 51.64 1iru s ALA 192 Cb 0.00 0.77 0.06 0.00 0.00 0.00 0.00 23.12 23.96 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 0.24 -0.10 0.00 2.96 0.52 -2.07 118.68 117.27 1iru s LEU 193 Ca 0.12 -0.49 -0.11 0.00 -0.22 0.00 0.00 54.13 53.44 1iru s LEU 193 Cb -0.05 -0.11 -0.05 0.00 0.50 0.00 0.00 46.19 46.49 1iru s LEU 193 CO 0.06 -0.34 0.25 -0.60 -1.32 0.00 0.00 176.35 174.40 1iru s ARG 194 N 2.18 3.79 0.06 1.98 3.52 -0.95 -0.69 118.95 128.84 1iru s ARG 194 Ca 0.03 0.07 0.10 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 0.62 -0.26 0.42 -0.81 0.00 0.00 175.30 175.17 1iru s ILE 195 N -0.67 2.18 -0.12 4.11 1.09 0.86 -2.67 121.20 125.98 1iru s ILE 195 Ca 0.17 -1.47 0.01 0.00 -1.10 0.00 0.00 60.65 58.27 1iru s ILE 195 Cb -0.14 -1.87 0.02 0.00 -1.06 0.00 0.00 42.46 39.41 1iru s ILE 195 CO 0.06 0.31 -0.15 0.00 -0.10 0.00 0.00 174.94 175.06 1iru s ILE 197 N 1.09 3.81 -0.22 0.00 1.01 0.66 -1.18 121.20 126.37 1iru s ILE 197 Ca -0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 60.65 60.21 1iru s ILE 197 Cb -0.14 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.61 1iru s ILE 197 CO -0.04 0.44 -0.05 -0.69 0.00 0.00 0.00 174.94 174.61 1iru s VAL 198 N 0.91 3.36 0.30 2.92 1.01 0.28 -1.08 120.40 128.11 1iru s VAL 198 Ca 0.00 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.56 1iru s VAL 198 Cb -0.14 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1iru s VAL 198 CO 0.02 0.43 0.26 0.35 0.00 0.00 0.00 175.10 176.15 1iru n THR 199 N 4.73 0.00 0.22 3.92 -2.24 -0.09 -1.39 114.28 119.43 1iru n THR 199 Ca -0.18 -2.24 0.10 0.00 -2.27 0.00 0.00 64.05 59.47 1iru n THR 199 Cb 0.51 1.12 0.67 0.00 -2.10 0.00 0.00 70.33 70.52 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 -0.92 116.57 115.06 1iru h LYS 200 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 1iru h LYS 200 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1iru h LYS 200 CO 0.31 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.69 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 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1iru h GLU 201 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 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 0.90 0.68 3.12 -3.84 0.00 -0.35 -5.05 105.19 100.64 1iru n GLY 202 Ca 0.03 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 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 -3.10 2.05 -0.08 -0.61 1.01 -1.26 -0.92 121.20 118.31 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 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 1iru s ILE 203 CO 0.00 0.53 -0.17 -0.60 0.00 0.00 0.00 174.94 174.70 1iru s ARG 204 N 1.29 2.81 0.04 2.79 3.52 -0.24 -4.92 118.95 124.23 1iru s ARG 204 Ca 0.05 -0.75 0.02 0.00 -0.13 0.00 0.00 55.73 54.92 1iru s ARG 204 Cb -0.13 -2.40 -0.04 0.00 -1.56 0.00 0.00 34.95 30.82 1iru s ARG 204 CO -0.13 0.43 0.04 -1.21 -0.81 0.00 0.00 175.30 173.61 1iru s GLU 205 N -0.23 2.82 -0.07 5.12 2.02 -1.26 -0.25 118.70 126.86 1iru s GLU 205 Ca 0.00 -0.65 -0.03 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 0.16 -2.00 0.02 0.00 0.00 175.26 174.07 1iru s GLU 206 N -1.94 0.11 -0.35 1.61 2.12 -0.67 -4.98 118.70 114.60 1iru s GLU 206 Ca 0.24 0.38 -0.01 0.00 0.36 0.00 0.00 54.97 55.94 1iru s GLU 206 Cb -0.12 -0.15 0.09 0.00 0.26 0.00 0.00 34.13 34.21 1iru s GLU 206 CO 0.15 -0.15 0.09 0.99 -0.54 0.00 0.00 175.26 175.80 1iru s THR 207 N 1.08 2.89 0.38 -1.70 2.01 -1.26 -0.10 115.64 118.94 1iru s THR 207 Ca -0.08 -1.91 -0.07 0.00 0.31 0.00 0.00 61.69 59.93 1iru s THR 207 Cb -0.10 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 1iru s THR 207 CO -0.06 -0.47 0.70 -0.69 -0.69 0.00 0.00 174.62 173.41 1iru s VAL 208 N 1.11 4.90 0.08 3.82 1.01 0.13 -4.90 120.40 126.55 1iru s VAL 208 Ca 0.04 0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 1iru s VAL 208 Cb -0.21 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1iru s VAL 208 CO -0.04 -0.53 0.30 -0.44 0.00 0.00 0.00 175.10 174.39 1iru s SER 209 N -3.40 6.46 0.23 3.32 0.01 -1.26 -0.35 113.70 118.70 1iru s SER 209 Ca 0.48 0.50 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 64.02 1iru s SER 209 CO 0.34 0.14 -0.00 -0.76 0.41 0.00 0.00 173.24 173.37 1iru s LEU 210 N -2.34 2.18 0.19 2.44 1.43 -0.92 -4.82 118.68 116.83 1iru s LEU 210 Ca 0.35 -1.22 -0.33 0.00 -1.03 0.00 0.00 54.13 51.91 1iru s LEU 210 Cb -0.13 -0.25 -0.14 0.00 0.03 0.00 0.00 46.19 45.71 1iru s LEU 210 CO 0.23 -0.52 1.48 0.54 0.23 0.00 0.00 176.35 178.31 1iru n ARG 211 N -0.40 2.02 -0.05 1.70 1.74 -1.26 -3.59 116.66 116.81 1iru n ARG 211 Ca -0.05 0.72 0.06 0.00 -0.77 0.00 0.00 57.85 57.82 1iru n ARG 211 Cb 0.64 -2.43 0.29 0.00 -1.02 0.00 0.00 32.46 29.93 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 2.75 1.33 0.00 5.56 5.02 -1.26 0.07 118.16 131.62 1iru n LYS 212 Ca 0.15 -0.50 0.11 0.00 -2.02 0.00 0.00 58.31 56.05 1iru n LYS 212 Cb 0.29 -1.23 0.09 0.00 -0.02 0.00 0.00 35.03 34.16 1iru n LYS 212 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48