#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iru n GLN 2 N 0.00 1.04 -3.68 -2.82 1.13 -1.26 -4.14 117.38 107.65 1iru n GLN 2 Ca 0.00 -0.07 -0.28 0.00 -1.94 0.00 0.00 57.00 54.71 1iru n GLN 2 Cb 0.00 -1.40 -0.16 0.00 0.11 0.00 0.00 30.24 28.79 1iru n GLN 2 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1iru s ASN 3 N -4.50 2.93 0.48 1.08 0.01 -1.26 -5.13 114.94 108.55 1iru s ASN 3 Ca -0.07 -0.89 -0.24 0.00 -0.71 0.00 0.00 52.86 50.95 1iru s ASN 3 Cb 0.07 -0.50 -0.07 0.00 0.41 0.00 0.00 41.25 41.16 1iru s ASN 3 CO 0.67 -0.34 1.34 -2.16 -1.51 0.00 0.00 177.10 175.10 1iru s PRO 4 N 1.93 3.53 0.00 -0.60 0.04 -1.26 -4.98 135.00 133.66 1iru s PRO 4 Ca 0.02 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1iru s PRO 4 Cb -0.17 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1iru s PRO 4 CO -0.13 -0.87 0.00 -1.33 0.04 0.00 0.00 177.00 174.71 1iru n MET 5 N -0.50 0.00 -2.83 4.56 2.81 -1.26 -4.98 117.12 114.92 1iru n MET 5 Ca 0.07 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.55 1iru n MET 5 Cb 0.44 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.92 1iru n MET 5 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1iru s VAL 6 N 0.24 4.89 0.23 2.03 1.01 -1.26 -4.37 120.40 123.17 1iru s VAL 6 Ca 0.00 1.81 0.05 0.00 0.00 0.00 0.00 61.98 63.84 1iru s VAL 6 Cb 0.00 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 1iru s VAL 6 CO 0.00 0.11 -0.04 0.42 0.00 0.00 0.00 175.10 175.59 1iru s THR 7 N 1.47 1.29 -0.02 3.92 -4.23 0.18 -1.01 115.64 117.24 1iru s THR 7 Ca 0.44 -2.08 0.07 0.00 -1.18 0.00 0.00 61.69 58.95 1iru s THR 7 Cb -0.18 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.35 1iru s THR 7 CO 0.20 -0.40 -0.23 -0.83 -0.54 0.00 0.00 174.62 172.82 1iru s GLY 8 N -3.33 1.35 0.00 3.99 0.00 -0.02 0.69 107.32 110.00 1iru s GLY 8 Ca 0.27 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.89 1iru s GLY 8 CO 0.08 -0.91 0.00 -0.37 0.00 0.00 0.00 173.10 171.90 1iru n THR 9 N 2.34 0.00 -0.81 0.90 5.66 -1.26 -1.19 114.28 119.92 1iru n THR 9 Ca -0.16 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.51 1iru n THR 9 Cb 0.51 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 69.41 1iru n THR 9 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1iru n SER 10 N 0.00 -2.05 -3.85 1.09 3.41 -1.26 -4.47 113.62 106.49 1iru n SER 10 Ca 0.00 0.34 -0.15 0.00 -0.26 0.00 0.00 58.87 58.80 1iru n SER 10 Cb 0.00 -1.21 -0.15 0.00 -0.26 0.00 0.00 64.21 62.59 1iru n SER 10 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1iru s VAL 11 N -2.38 0.11 0.16 -3.33 1.01 -1.25 -4.51 120.40 110.20 1iru s VAL 11 Ca 0.57 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.67 1iru s VAL 11 Cb -0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1iru s VAL 11 CO 0.67 0.08 -0.10 -0.76 0.00 0.00 0.00 175.10 174.99 1iru s LEU 12 N 0.50 2.95 -0.25 3.92 1.43 -0.42 -1.62 118.68 125.20 1iru s LEU 12 Ca -0.05 -0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 52.38 1iru s LEU 12 Cb -0.07 -1.67 0.08 0.00 0.03 0.00 0.00 46.19 44.55 1iru s LEU 12 CO -0.01 0.12 0.59 -0.83 0.23 0.00 0.00 176.35 176.46 1iru s GLY 13 N -2.66 -0.54 0.00 -3.19 0.00 0.48 -1.61 107.32 99.80 1iru s GLY 13 Ca 0.24 2.12 -0.02 0.00 0.00 0.00 0.00 44.72 47.06 1iru s GLY 13 CO 0.14 2.24 0.03 0.54 0.00 0.00 0.00 173.10 176.06 1iru s VAL 14 N 1.70 0.07 0.09 1.40 0.11 -0.74 0.74 120.40 123.75 1iru s VAL 14 Ca -0.09 -0.56 0.04 0.00 -2.93 0.00 0.00 61.98 58.44 1iru s VAL 14 Cb -0.07 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 1iru s VAL 14 CO -0.18 -0.31 0.05 -1.59 -3.33 0.00 0.00 175.10 169.75 1iru s LYS 15 N -0.94 2.76 0.38 1.54 -2.85 -0.82 -1.26 119.74 118.56 1iru s LYS 15 Ca -0.10 -0.75 0.05 0.00 -1.00 0.00 0.00 55.97 54.17 1iru s LYS 15 Cb -0.06 -2.66 -0.03 0.00 -2.06 0.00 0.00 37.83 33.03 1iru s LYS 15 CO -0.00 0.55 0.18 -0.59 0.10 0.00 0.00 175.35 175.59 1iru s PHE 16 N -1.37 1.76 -0.42 1.78 -0.12 0.06 -4.63 117.98 115.04 1iru s PHE 16 Ca 0.28 -1.41 -0.27 0.00 -0.05 0.00 0.00 56.93 55.47 1iru s PHE 16 Cb -0.12 -1.01 -0.07 0.00 -0.63 0.00 0.00 43.02 41.19 1iru s PHE 16 CO 0.21 -0.49 2.36 0.39 -0.05 0.00 0.00 175.22 177.63 1iru n GLU 17 N -0.82 1.29 -1.17 1.99 -0.58 -0.14 -2.10 120.64 119.10 1iru n GLU 17 Ca -0.02 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1iru n GLU 17 Cb 0.64 -3.24 0.00 0.00 -0.57 0.00 0.00 31.44 28.27 1iru n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iru n GLY 18 N 5.99 0.57 0.00 0.62 0.00 -1.26 -4.66 105.19 106.46 1iru n GLY 18 Ca 0.36 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1iru n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iru n GLY 19 N -2.02 -0.20 3.04 -0.02 0.00 -0.89 -4.07 105.19 101.02 1iru n GLY 19 Ca 0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 1iru n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 20 N -2.00 0.39 0.01 1.61 1.01 -0.52 -0.77 120.40 120.14 1iru s VAL 20 Ca 0.00 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 60.95 1iru s VAL 20 Cb 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 1iru s VAL 20 CO 0.00 -0.46 -0.15 0.54 0.00 0.00 0.00 175.10 175.03 1iru s VAL 21 N -1.58 1.20 0.03 2.92 0.11 -0.39 -0.72 120.40 121.98 1iru s VAL 21 Ca -0.11 -0.77 0.04 0.00 -2.93 0.00 0.00 61.98 58.21 1iru s VAL 21 Cb -0.09 -1.03 -0.02 0.00 -1.53 0.00 0.00 36.38 33.72 1iru s VAL 21 CO -0.01 0.24 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.25 1iru s ILE 22 N -0.51 0.98 0.01 7.04 1.01 0.54 -1.80 121.20 128.47 1iru s ILE 22 Ca 0.05 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.79 1iru s ILE 22 Cb -0.07 -0.90 -0.01 0.00 0.01 0.00 0.00 42.46 41.49 1iru s ILE 22 CO 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 174.94 174.83 1iru s ALA 23 N -0.84 0.71 -0.27 9.38 0.00 -0.64 -0.18 121.76 129.92 1iru s ALA 23 Ca 0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 51.96 51.33 1iru s ALA 23 Cb -0.08 -0.12 0.10 0.00 0.00 0.00 0.00 23.12 23.02 1iru s ALA 23 CO 0.01 0.13 0.64 0.00 0.00 0.00 0.00 175.76 176.54 1iru s ALA 24 N -0.54 -1.84 1.01 0.00 0.00 -1.12 -1.31 121.76 117.97 1iru s ALA 24 Ca 0.00 2.29 -0.12 0.00 0.00 0.00 0.00 51.96 54.13 1iru s ALA 24 Cb -0.05 -1.51 0.19 0.00 0.00 0.00 0.00 23.12 21.75 1iru s ALA 24 CO 0.00 -0.58 1.08 0.16 0.00 0.00 0.00 175.76 176.42 1iru s ASP 25 N 2.11 2.39 -0.36 0.00 3.84 -1.26 -2.33 116.67 121.05 1iru s ASP 25 Ca -0.08 1.56 0.04 0.00 -0.00 0.00 0.00 52.55 54.08 1iru s ASP 25 Cb -0.08 -2.23 0.58 0.00 -1.38 0.00 0.00 42.92 39.81 1iru s ASP 25 CO -0.19 -3.33 1.76 0.23 -0.00 0.00 0.00 175.17 173.64 1iru n MET 26 N -4.34 2.32 -3.63 2.11 2.81 0.37 -4.55 117.12 112.20 1iru n MET 26 Ca 0.06 -2.57 -0.37 0.00 -1.81 0.00 0.00 57.70 53.01 1iru n MET 26 Cb 0.55 -2.02 -0.06 0.00 -0.71 0.00 0.00 33.22 30.97 1iru n MET 26 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1iru s LEU 27 N -2.75 4.36 -0.38 4.03 2.96 -1.26 -1.77 118.68 123.87 1iru s LEU 27 Ca 0.48 0.63 0.01 0.00 -0.22 0.00 0.00 54.13 55.04 1iru s LEU 27 Cb 0.40 -2.34 0.11 0.00 0.50 0.00 0.00 46.19 44.86 1iru s LEU 27 CO 0.10 0.26 0.12 -0.83 -1.32 0.00 0.00 176.35 174.68 1iru s GLY 28 N -0.46 1.99 0.37 7.98 0.00 0.13 -4.31 107.32 113.02 1iru s GLY 28 Ca 0.18 -2.58 -0.13 0.00 0.00 0.00 0.00 44.72 42.19 1iru s GLY 28 CO 0.07 0.98 0.76 -0.56 0.00 0.00 0.00 173.10 174.35 1iru s SER 29 N 1.19 6.65 -0.56 1.64 0.01 0.22 -1.78 113.70 121.07 1iru s SER 29 Ca 0.10 1.23 0.05 0.00 1.31 0.00 0.00 55.95 58.64 1iru s SER 29 Cb -0.21 -2.36 0.18 0.00 0.21 0.00 0.00 66.02 63.85 1iru s SER 29 CO -0.06 -0.31 0.46 0.00 0.41 0.00 0.00 173.24 173.74 1iru n TYR 30 N -0.84 1.41 0.00 2.43 9.36 -0.42 0.50 117.16 129.60 1iru n TYR 30 Ca 0.03 -3.85 0.00 0.00 3.32 0.00 0.00 57.90 57.40 1iru n TYR 30 Cb 0.54 -0.26 0.00 0.00 -0.63 0.00 0.00 39.34 38.99 1iru n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1iru n GLY 31 N 2.14 0.88 0.96 2.98 0.00 -1.26 -2.97 105.19 107.93 1iru n GLY 31 Ca 0.25 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.63 1iru n GLY 31 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iru n SER 32 N 6.26 2.87 -4.64 1.61 3.41 -1.26 -4.89 113.62 116.98 1iru n SER 32 Ca 0.00 -1.92 -0.40 0.00 -0.26 0.00 0.00 58.87 56.30 1iru n SER 32 Cb 0.00 -0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 1iru n SER 32 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1iru s LEU 33 N -1.41 4.10 -0.92 1.04 2.96 -1.16 -4.97 118.68 118.32 1iru s LEU 33 Ca 0.37 0.61 -0.24 0.00 -0.22 0.00 0.00 54.13 54.65 1iru s LEU 33 Cb 0.21 -2.70 0.02 0.00 0.50 0.00 0.00 46.19 44.21 1iru s LEU 33 CO 0.29 -0.24 1.56 0.00 -1.32 0.00 0.00 176.35 176.63 1iru s ALA 34 N 2.01 2.45 -0.17 5.97 0.00 -1.26 -1.30 121.76 129.46 1iru s ALA 34 Ca 0.23 -1.85 -0.20 0.00 0.00 0.00 0.00 51.96 50.14 1iru s ALA 34 Cb -0.15 -4.48 -0.17 0.00 0.00 0.00 0.00 23.12 18.32 1iru s ALA 34 CO 0.09 -3.85 0.27 -0.09 0.00 0.00 0.00 175.76 172.18 1iru h ARG 35 N 10.49 0.00 -4.49 0.00 2.43 -1.86 -3.44 114.38 117.51 1iru h ARG 35 Ca 0.07 0.00 -0.70 0.00 -0.81 0.00 0.00 59.98 58.54 1iru h ARG 35 Cb 1.03 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 30.25 1iru h ARG 35 CO 1.34 0.78 -0.53 -0.06 -1.51 0.00 0.00 179.97 179.99 1iru s PHE 36 N -2.25 3.48 -1.65 2.20 0.40 -0.73 -4.96 117.98 114.47 1iru s PHE 36 Ca -0.22 -2.12 0.28 0.00 -0.60 0.00 0.00 56.93 54.27 1iru s PHE 36 Cb 0.03 -3.07 1.11 0.00 0.51 0.00 0.00 43.02 41.60 1iru s PHE 36 CO 0.52 -0.93 1.79 0.54 0.70 0.00 0.00 175.22 177.83 1iru n ARG 37 N 4.69 0.70 -3.09 0.44 1.74 -1.26 0.20 116.66 120.09 1iru n ARG 37 Ca -0.06 -0.29 -0.20 0.00 -0.77 0.00 0.00 57.85 56.53 1iru n ARG 37 Cb 0.42 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.33 1iru n ARG 37 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1iru n ASN 38 N -0.90 1.96 -4.27 0.55 5.15 -1.19 -4.52 115.26 112.05 1iru n ASN 38 Ca 0.14 -3.20 -0.27 0.00 -0.60 0.00 0.00 54.58 50.64 1iru n ASN 38 Cb 0.29 -0.60 -0.15 0.00 -0.53 0.00 0.00 39.78 38.80 1iru n ASN 38 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1iru s ILE 39 N -3.09 1.80 -0.15 -1.44 -4.36 -0.73 -5.07 121.20 108.16 1iru s ILE 39 Ca 0.42 -1.19 -0.23 0.00 -0.26 0.00 0.00 60.65 59.39 1iru s ILE 39 Cb 0.34 -1.54 -0.02 0.00 1.25 0.00 0.00 42.46 42.48 1iru s ILE 39 CO -0.09 0.31 0.73 -0.55 0.24 0.00 0.00 174.94 175.58 1iru s SER 40 N -1.04 6.88 -0.26 4.36 0.15 -1.26 -4.31 113.70 118.22 1iru s SER 40 Ca 0.09 1.07 0.12 0.00 0.70 0.00 0.00 55.95 57.93 1iru s SER 40 Cb -0.09 -2.41 0.60 0.00 -1.71 0.00 0.00 66.02 62.41 1iru s SER 40 CO 0.01 -0.27 1.57 0.54 1.20 0.00 0.00 173.24 176.29 1iru n ARG 41 N 4.72 2.91 -4.32 5.44 1.74 -1.26 -4.93 116.66 120.96 1iru n ARG 41 Ca 0.01 -3.02 -0.24 0.00 -0.77 0.00 0.00 57.85 53.83 1iru n ARG 41 Cb 0.50 -1.97 -0.12 0.00 -1.02 0.00 0.00 32.46 29.85 1iru n ARG 41 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1iru s ILE 42 N -3.00 1.83 0.01 0.55 -1.09 -1.26 -2.00 121.20 116.24 1iru s ILE 42 Ca 0.47 -1.69 -0.04 0.00 -2.23 0.00 0.00 60.65 57.17 1iru s ILE 42 Cb 0.39 -1.71 -0.01 0.00 -1.58 0.00 0.00 42.46 39.56 1iru s ILE 42 CO 0.08 -0.11 0.07 -0.32 -1.23 0.00 0.00 174.94 173.43 1iru s MET 43 N -2.19 0.38 -0.35 2.79 -2.45 0.61 -4.99 119.30 113.10 1iru s MET 43 Ca 0.10 -0.44 -0.13 0.00 -1.25 0.00 0.00 55.69 53.98 1iru s MET 43 Cb -0.09 0.15 -0.01 0.00 1.25 0.00 0.00 34.83 36.14 1iru s MET 43 CO 0.05 -0.08 0.23 -0.98 1.05 0.00 0.00 175.02 175.30 1iru s ARG 44 N -1.30 3.32 -0.49 4.11 3.03 -1.26 -0.82 118.95 125.55 1iru s ARG 44 Ca -0.14 -0.76 -0.14 0.00 2.03 0.00 0.00 55.73 56.72 1iru s ARG 44 Cb -0.08 -3.79 0.10 0.00 -1.03 0.00 0.00 34.95 30.15 1iru s ARG 44 CO 0.00 -0.52 0.41 0.08 -1.13 0.00 0.00 175.30 174.15 1iru s VAL 45 N 1.68 4.99 0.19 4.99 1.01 0.03 -4.98 120.40 128.32 1iru s VAL 45 Ca 0.05 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1iru s VAL 45 Cb -0.18 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1iru s VAL 45 CO 0.09 -0.69 0.00 -0.46 0.00 0.00 0.00 175.10 174.05 1iru n ASN 46 N 5.15 -3.67 0.25 3.32 2.04 -1.26 -3.02 115.26 118.07 1iru n ASN 46 Ca -0.12 0.39 0.17 0.00 -0.44 0.00 0.00 54.58 54.58 1iru n ASN 46 Cb 0.42 -2.69 0.88 0.00 -2.53 0.00 0.00 39.78 35.86 1iru n ASN 46 CO 0.00 0.00 0.00 0.78 -0.44 0.00 0.00 177.26 177.60 1iru h ASN 47 N -1.02 0.00 -0.03 0.53 2.35 -1.95 -3.17 115.58 112.29 1iru h ASN 47 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1iru h ASN 47 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1iru h ASN 47 CO 0.02 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.26 1iru n SER 48 N -2.65 1.55 -3.83 5.81 3.41 -1.26 -3.85 113.62 112.79 1iru n SER 48 Ca -0.02 -1.39 -0.12 0.00 -0.26 0.00 0.00 58.87 57.08 1iru n SER 48 Cb 0.07 -0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 63.87 1iru n SER 48 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1iru s THR 49 N -0.47 -0.00 0.16 6.66 -4.23 -1.17 -1.20 115.64 115.38 1iru s THR 49 Ca 0.04 0.01 0.05 0.00 -1.18 0.00 0.00 61.69 60.61 1iru s THR 49 Cb 0.03 -0.15 -0.04 0.00 1.34 0.00 0.00 72.50 73.67 1iru s THR 49 CO 0.04 0.00 -0.11 0.00 -0.54 0.00 0.00 174.62 174.01 1iru s MET 50 N 0.11 1.11 0.01 3.99 0.23 0.25 -0.79 119.30 124.21 1iru s MET 50 Ca -0.01 -1.48 0.02 0.00 -1.03 0.00 0.00 55.69 53.19 1iru s MET 50 Cb -0.01 -0.71 -0.01 0.00 -1.53 0.00 0.00 34.83 32.57 1iru s MET 50 CO -0.00 0.09 -0.05 -1.17 -2.03 0.00 0.00 175.02 171.86 1iru s LEU 51 N -3.19 2.08 -0.04 0.18 2.96 0.00 0.14 118.68 120.80 1iru s LEU 51 Ca 0.18 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 1iru s LEU 51 Cb 0.02 -0.21 0.00 0.00 0.50 0.00 0.00 46.19 46.50 1iru s LEU 51 CO 0.02 -0.02 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.05 1iru s GLY 52 N -0.52 0.81 -0.05 7.98 0.00 0.12 -0.29 107.32 115.38 1iru s GLY 52 Ca -0.02 -0.56 0.05 0.00 0.00 0.00 0.00 44.72 44.20 1iru s GLY 52 CO -0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 173.10 172.68 1iru s ALA 53 N 0.19 1.85 0.20 3.20 0.00 -0.84 -0.38 121.76 125.99 1iru s ALA 53 Ca -0.06 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.07 1iru s ALA 53 Cb -0.12 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1iru s ALA 53 CO 0.02 0.36 0.20 -1.12 0.00 0.00 0.00 175.76 175.22 1iru s SER 54 N -0.13 5.69 0.00 0.00 0.01 -0.01 -4.83 113.70 114.43 1iru s SER 54 Ca -0.02 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1iru s SER 54 Cb -0.12 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 64.59 1iru s SER 54 CO 0.02 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.29 1iru n GLY 55 N -0.80 -0.80 3.61 3.44 0.00 -0.33 -2.33 105.19 107.97 1iru n GLY 55 Ca -0.08 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 1iru n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iru s ASP 56 N -4.00 5.84 0.35 1.61 2.15 0.66 -0.84 116.67 122.43 1iru s ASP 56 Ca 0.00 1.58 0.04 0.00 0.43 0.00 0.00 52.55 54.60 1iru s ASP 56 Cb 0.00 -2.52 0.68 0.00 -0.30 0.00 0.00 42.92 40.78 1iru s ASP 56 CO 0.00 -1.71 1.96 0.22 -0.17 0.00 0.00 175.17 175.48 1iru h TYR 57 N 13.21 0.82 -0.40 -5.34 3.20 -1.41 -1.77 116.97 125.28 1iru h TYR 57 Ca -0.37 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.52 1iru h TYR 57 Cb 1.19 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 39.17 1iru h TYR 57 CO 0.95 0.45 0.25 0.00 -1.64 0.00 0.00 178.16 178.17 1iru h ALA 58 N 1.59 0.51 -0.55 1.82 0.00 -1.90 0.59 119.26 121.33 1iru h ALA 58 Ca 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1iru h ALA 58 Cb 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1iru h ALA 58 CO -0.10 -0.01 0.26 -0.44 0.00 0.00 0.00 179.25 178.97 1iru h ASP 59 N 0.54 0.73 -0.82 0.00 3.32 -1.77 -1.88 116.42 116.54 1iru h ASP 59 Ca 0.15 -0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.14 1iru h ASP 59 Cb -0.02 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.28 1iru h ASP 59 CO -0.03 0.65 0.49 0.15 -1.72 0.00 0.00 179.24 178.78 1iru h PHE 60 N 0.75 0.90 -0.64 4.55 3.57 -0.77 0.14 116.94 125.43 1iru h PHE 60 Ca 0.19 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1iru h PHE 60 Cb 0.12 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 1iru h PHE 60 CO -0.00 0.43 0.36 1.96 -2.23 0.00 0.00 178.31 178.82 1iru h GLN 61 N 0.87 0.88 0.06 1.11 4.20 -0.27 0.21 115.11 122.18 1iru h GLN 61 Ca 0.37 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 1iru h GLN 61 Cb 0.23 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1iru h GLN 61 CO -0.20 0.64 -0.03 -0.92 -0.67 0.00 0.00 178.83 177.66 1iru h TYR 62 N 0.89 -0.07 -0.83 2.96 3.20 -0.03 0.11 116.97 123.20 1iru h TYR 62 Ca 0.23 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 1iru h TYR 62 Cb 0.01 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 1iru h TYR 62 CO 0.00 -0.00 0.51 -0.07 -1.64 0.00 0.00 178.16 176.97 1iru h LEU 63 N -0.12 0.98 -1.46 2.82 3.38 -0.66 0.00 115.31 120.24 1iru h LEU 63 Ca -0.01 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1iru h LEU 63 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1iru h LEU 63 CO 0.01 0.74 -0.03 0.50 0.09 0.00 0.00 178.44 179.75 1iru h LYS 64 N 1.14 0.31 0.03 1.13 3.64 -0.50 0.14 116.57 122.46 1iru h LYS 64 Ca 0.30 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1iru h LYS 64 Cb -0.07 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1iru h LYS 64 CO -0.06 0.36 -0.02 0.37 -2.27 0.00 0.00 179.45 177.84 1iru h GLN 65 N 0.30 -0.04 -0.39 1.90 4.15 0.80 -2.16 115.11 119.67 1iru h GLN 65 Ca 0.07 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 1iru h GLN 65 Cb 0.26 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1iru h GLN 65 CO 0.01 0.58 0.16 0.28 -1.93 0.00 0.00 178.83 177.92 1iru h VAL 66 N -0.71 1.19 -0.27 2.39 2.07 -0.91 -2.32 116.25 117.70 1iru h VAL 66 Ca -0.00 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1iru h VAL 66 Cb 0.64 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1iru h VAL 66 CO 0.01 0.22 -0.01 -0.07 0.02 0.00 0.00 177.57 177.73 1iru h LEU 67 N 0.49 0.37 -0.28 2.57 3.38 -0.81 -1.50 115.31 119.53 1iru h LEU 67 Ca 0.13 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1iru h LEU 67 Cb 0.19 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1iru h LEU 67 CO -0.01 0.44 -0.09 1.23 0.09 0.00 0.00 178.44 180.10 1iru h GLY 68 N 0.72 0.60 1.01 0.83 0.00 -1.12 -1.94 103.07 103.18 1iru h GLY 68 Ca 0.09 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1iru h GLY 68 CO 0.01 0.47 0.38 1.46 0.00 0.00 0.00 176.54 178.86 1iru h GLN 69 N 0.31 1.03 -0.54 4.80 1.08 -1.13 -0.91 115.11 119.75 1iru h GLN 69 Ca 0.07 -0.13 0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1iru h GLN 69 Cb 0.58 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.77 1iru h GLN 69 CO 0.03 0.78 0.31 0.52 -0.95 0.00 0.00 178.83 179.52 1iru h MET 70 N 1.01 0.59 -0.40 1.46 2.86 -1.12 0.33 114.93 119.66 1iru h MET 70 Ca 0.25 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.82 1iru h MET 70 Cb 0.06 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1iru h MET 70 CO -0.04 0.39 0.09 0.28 1.06 0.00 0.00 176.91 178.70 1iru h VAL 71 N 0.61 1.23 0.03 -2.22 2.07 -1.01 -1.72 116.25 115.23 1iru h VAL 71 Ca 0.22 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.96 1iru h VAL 71 Cb 0.06 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1iru h VAL 71 CO -0.12 0.28 -0.10 0.40 0.02 0.00 0.00 177.57 178.06 1iru h ILE 72 N 0.51 0.76 -0.41 4.57 2.04 -0.63 -0.23 117.51 124.12 1iru h ILE 72 Ca 0.12 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.07 1iru h ILE 72 Cb 0.32 0.76 -0.09 0.00 -0.74 0.00 0.00 36.82 37.07 1iru h ILE 72 CO 0.00 0.00 -0.26 0.44 0.00 0.00 0.00 178.15 178.33 1iru h ASP 73 N -0.18 -0.89 -0.64 1.72 3.32 -0.15 -1.05 116.42 118.55 1iru h ASP 73 Ca 0.03 0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.27 1iru h ASP 73 Cb 0.21 0.44 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 1iru h ASP 73 CO -0.08 -0.28 0.42 -0.08 -1.72 0.00 0.00 179.24 177.50 1iru h GLU 74 N -0.19 0.82 -0.02 3.56 4.81 -0.92 -2.02 114.58 120.61 1iru h GLU 74 Ca 0.19 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1iru h GLU 74 Cb 0.49 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1iru h GLU 74 CO -0.52 0.54 0.00 0.93 -0.73 0.00 0.00 179.01 179.23 1iru h GLU 75 N 0.84 0.03 -0.13 1.92 5.08 0.17 -1.89 114.58 120.60 1iru h GLU 75 Ca 0.24 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1iru h GLU 75 Cb -0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1iru h GLU 75 CO -0.07 0.03 -0.06 -0.07 -1.00 0.00 0.00 179.01 177.84 1iru h LEU 76 N 0.03 0.18 -0.65 1.33 3.38 -0.50 -2.25 115.31 116.83 1iru h LEU 76 Ca 0.01 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1iru h LEU 76 Cb 0.02 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1iru h LEU 76 CO -0.00 0.27 -0.67 -0.07 0.09 0.00 0.00 178.44 178.06 1iru h LEU 77 N 0.19 0.00 -1.22 1.67 3.38 -1.37 -3.46 115.31 114.50 1iru h LEU 77 Ca 0.04 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.38 1iru h LEU 77 Cb 0.24 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.60 1iru h LEU 77 CO 0.01 0.67 -0.91 0.61 0.09 0.00 0.00 178.44 178.91 1iru n GLY 78 N 0.42 -0.40 0.90 0.83 0.00 -0.85 -4.75 105.19 101.34 1iru n GLY 78 Ca -0.01 0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.13 1iru n GLY 78 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iru n ASP 79 N -2.47 2.54 -0.27 1.61 3.85 -1.26 -4.87 116.55 115.68 1iru n ASP 79 Ca 0.11 -2.22 -0.04 0.00 -0.71 0.00 0.00 54.79 51.94 1iru n ASP 79 Cb 0.45 -0.41 -0.02 0.00 -1.35 0.00 0.00 41.12 39.80 1iru n ASP 79 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iru n GLY 80 N 0.68 0.66 3.23 6.12 0.00 -1.26 -5.02 105.19 109.60 1iru n GLY 80 Ca 0.12 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 1iru n GLY 80 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1iru s HIS 81 N -2.07 1.73 -0.24 1.61 4.02 -1.26 -5.14 115.29 113.94 1iru s HIS 81 Ca 0.00 -0.37 -0.26 0.00 1.02 0.00 0.00 55.06 55.45 1iru s HIS 81 Cb 0.00 -1.03 0.09 0.00 -1.02 0.00 0.00 32.58 30.62 1iru s HIS 81 CO 0.00 0.08 0.82 -1.54 1.02 0.00 0.00 174.74 175.12 1iru s SER 82 N -1.17 -0.63 0.21 1.40 1.04 -1.26 -4.89 113.70 108.41 1iru s SER 82 Ca 0.07 1.13 -0.32 0.00 0.48 0.00 0.00 55.95 57.31 1iru s SER 82 Cb -0.09 1.12 -0.15 0.00 0.10 0.00 0.00 66.02 67.00 1iru s SER 82 CO 0.02 -0.27 1.24 -1.22 0.98 0.00 0.00 173.24 173.98 1iru n TYR 83 N 2.21 1.62 -2.87 5.02 4.02 -1.26 -4.99 117.16 120.91 1iru n TYR 83 Ca -0.14 0.59 -0.19 0.00 -0.01 0.00 0.00 57.90 58.15 1iru n TYR 83 Cb 0.56 -2.34 0.02 0.00 -0.02 0.00 0.00 39.34 37.56 1iru n TYR 83 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1iru s SER 84 N 0.04 5.46 0.17 7.72 1.04 -1.26 -4.90 113.70 121.98 1iru s SER 84 Ca 0.70 -0.31 -0.14 0.00 0.48 0.00 0.00 55.95 56.68 1iru s SER 84 Cb -0.76 -0.66 0.13 0.00 0.10 0.00 0.00 66.02 64.83 1iru s SER 84 CO 0.52 -0.95 1.76 -0.65 0.98 0.00 0.00 173.24 174.90 1iru h PRO 85 N 0.39 0.38 -0.71 4.02 0.11 -1.92 -1.54 132.00 132.73 1iru h PRO 85 Ca -0.40 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1iru h PRO 85 Cb 1.29 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1iru h PRO 85 CO 0.47 0.25 0.39 -0.09 -0.21 0.00 0.00 178.00 178.81 1iru h ARG 86 N 0.40 0.98 -0.02 1.05 2.43 -1.97 -1.11 114.38 116.13 1iru h ARG 86 Ca 0.21 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1iru h ARG 86 Cb 0.17 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1iru h ARG 86 CO -0.19 0.72 0.01 0.00 -1.51 0.00 0.00 179.97 179.01 1iru h ALA 87 N 1.44 0.03 -0.68 2.80 0.00 -1.69 0.24 119.26 121.40 1iru h ALA 87 Ca 0.25 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1iru h ALA 87 Cb 0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1iru h ALA 87 CO -0.04 -0.42 0.44 0.82 0.00 0.00 0.00 179.25 180.05 1iru h ILE 88 N -0.07 1.14 -0.40 0.00 1.08 -1.04 -0.22 117.51 118.01 1iru h ILE 88 Ca 0.01 -0.30 -0.05 0.00 -0.39 0.00 0.00 64.86 64.12 1iru h ILE 88 Cb 0.10 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.01 1iru h ILE 88 CO -0.00 0.16 0.04 -0.74 -0.69 0.00 0.00 178.15 176.92 1iru h HIS 89 N 0.89 0.64 -0.14 1.37 2.76 -0.85 -1.34 115.15 118.48 1iru h HIS 89 Ca 0.26 -0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1iru h HIS 89 Cb -0.06 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 28.71 1iru h HIS 89 CO -0.03 0.59 -0.09 1.03 -1.30 0.00 0.00 177.93 178.13 1iru h SER 90 N 0.60 0.32 -0.57 3.26 0.87 0.34 -2.35 113.55 116.02 1iru h SER 90 Ca 0.13 -0.44 0.01 0.00 -1.23 0.00 0.00 61.79 60.26 1iru h SER 90 Cb 0.31 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1iru h SER 90 CO 0.01 0.69 0.37 -0.25 -0.53 0.00 0.00 176.83 177.11 1iru h TRP 91 N -0.05 0.70 -0.76 2.24 7.01 -0.88 -1.89 115.95 122.33 1iru h TRP 91 Ca 0.03 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 1iru h TRP 91 Cb 0.58 -0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 27.36 1iru h TRP 91 CO 0.07 0.43 0.43 1.25 -2.79 0.00 0.00 178.44 177.84 1iru h LEU 92 N 0.75 0.93 -0.64 0.65 5.85 -1.21 0.12 115.31 121.76 1iru h LEU 92 Ca 0.21 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1iru h LEU 92 Cb -0.07 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1iru h LEU 92 CO -0.06 0.73 0.01 0.74 -0.34 0.00 0.00 178.44 179.53 1iru h THR 93 N 1.05 1.27 -0.20 1.05 2.02 -0.87 0.27 112.91 117.51 1iru h THR 93 Ca 0.27 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 1iru h THR 93 Cb -0.00 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1iru h THR 93 CO -0.05 0.42 0.03 0.03 0.37 0.00 0.00 175.52 176.32 1iru h ARG 94 N 0.99 0.33 0.37 6.66 -0.00 -0.73 -1.30 114.38 120.69 1iru h ARG 94 Ca 0.18 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.98 59.55 1iru h ARG 94 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.48 1iru h ARG 94 CO 0.03 0.48 -0.18 0.00 0.00 0.00 0.00 179.97 180.30 1iru h ALA 95 N 0.83 -0.50 -0.92 0.04 0.00 -0.51 0.14 119.26 118.35 1iru h ALA 95 Ca 0.06 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1iru h ALA 95 Cb 0.32 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1iru h ALA 95 CO 0.00 -0.76 0.60 0.52 0.00 0.00 0.00 179.25 179.61 1iru h MET 96 N -0.54 1.06 -0.27 0.00 2.86 -0.48 -1.84 114.93 115.72 1iru h MET 96 Ca -0.05 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.42 1iru h MET 96 Cb 0.41 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 1iru h MET 96 CO 0.08 0.70 -0.24 -0.92 1.06 0.00 0.00 176.91 177.59 1iru h TYR 97 N 1.09 0.77 -0.31 -0.22 3.20 -0.96 -1.85 116.97 118.68 1iru h TYR 97 Ca 0.38 -0.22 0.06 0.00 3.14 0.00 0.00 58.73 62.08 1iru h TYR 97 Cb 0.12 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 1iru h TYR 97 CO -0.00 0.94 -0.01 1.03 -1.64 0.00 0.00 178.16 178.48 1iru h SER 98 N 0.37 -0.14 -0.22 -2.11 0.87 -0.16 0.08 113.55 112.25 1iru h SER 98 Ca 0.05 0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 1iru h SER 98 Cb 0.80 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 1iru h SER 98 CO 0.06 -0.04 -0.13 0.03 -0.53 0.00 0.00 176.83 176.23 1iru h ARG 99 N 0.08 0.62 -0.27 2.24 2.47 -1.31 -1.97 114.38 116.23 1iru h ARG 99 Ca 0.15 -0.19 -0.08 0.00 -1.26 0.00 0.00 59.98 58.60 1iru h ARG 99 Cb 0.21 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 1iru h ARG 99 CO -0.26 0.73 -0.16 -0.09 0.56 0.00 0.00 179.97 180.75 1iru h ARG 100 N 0.57 0.47 0.00 0.04 1.12 -0.70 -1.93 114.38 113.94 1iru h ARG 100 Ca 0.10 -0.14 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 1iru h ARG 100 Cb 0.55 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 1iru h ARG 100 CO 0.03 0.62 0.00 0.43 -3.11 0.00 0.00 179.97 177.94 1iru n SER 101 N -4.19 0.27 -1.25 -3.80 7.64 -0.04 -1.64 113.62 110.60 1iru n SER 101 Ca 0.00 0.54 0.12 0.00 1.01 0.00 0.00 58.87 60.54 1iru n SER 101 Cb 0.34 -0.61 0.27 0.00 -1.01 0.00 0.00 64.21 63.20 1iru n SER 101 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1iru n LYS 102 N -1.77 2.62 -1.67 1.43 5.02 -0.89 -4.93 118.16 117.98 1iru n LYS 102 Ca 0.05 -2.48 -0.19 0.00 -2.02 0.00 0.00 58.31 53.67 1iru n LYS 102 Cb 0.28 -1.54 -0.07 0.00 -0.02 0.00 0.00 35.03 33.68 1iru n LYS 102 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1iru n MET 103 N 1.57 -1.32 -3.33 1.97 2.81 -0.65 -4.90 117.12 113.26 1iru n MET 103 Ca 0.22 1.12 -0.26 0.00 -1.81 0.00 0.00 57.70 56.97 1iru n MET 103 Cb 0.61 -5.44 -0.08 0.00 -0.71 0.00 0.00 33.22 27.60 1iru n MET 103 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1iru n ASN 104 N -1.09 0.74 -4.75 7.83 5.15 -0.78 -4.95 115.26 117.41 1iru n ASN 104 Ca -0.19 -2.76 -0.32 0.00 -0.60 0.00 0.00 54.58 50.72 1iru n ASN 104 Cb 0.62 -0.63 0.09 0.00 -0.53 0.00 0.00 39.78 39.33 1iru n ASN 104 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1iru s PRO 105 N -1.06 2.16 -0.35 1.20 0.04 -1.21 -4.35 135.00 131.43 1iru s PRO 105 Ca 0.34 1.33 -0.13 0.00 0.04 0.00 0.00 61.00 62.58 1iru s PRO 105 Cb 0.12 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.77 1iru s PRO 105 CO -0.12 -1.74 0.26 -0.51 0.04 0.00 0.00 177.00 174.92 1iru s LEU 106 N -5.74 4.60 -1.04 -3.56 1.43 -1.26 -1.11 118.68 112.01 1iru s LEU 106 Ca 0.64 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 53.11 1iru s LEU 106 Cb -0.20 -2.15 -0.08 0.00 0.03 0.00 0.00 46.19 43.79 1iru s LEU 106 CO 0.52 -0.27 2.12 1.87 0.23 0.00 0.00 176.35 180.82 1iru n TRP 107 N 5.13 2.21 -4.04 0.29 -0.00 -1.26 -4.58 117.44 115.18 1iru n TRP 107 Ca -0.12 -2.23 -0.09 0.00 -0.00 0.00 0.00 57.50 55.06 1iru n TRP 107 Cb 0.49 -1.97 -0.11 0.00 -0.00 0.00 0.00 31.31 29.73 1iru n TRP 107 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1iru s ASN 108 N 4.01 0.46 -0.08 5.87 0.01 -1.26 -0.25 114.94 123.71 1iru s ASN 108 Ca 0.52 -0.74 0.03 0.00 -0.71 0.00 0.00 52.86 51.96 1iru s ASN 108 Cb 0.14 0.13 0.01 0.00 0.41 0.00 0.00 41.25 41.94 1iru s ASN 108 CO 0.02 -0.42 -0.16 -0.89 -1.51 0.00 0.00 177.10 174.15 1iru s THR 109 N -2.57 1.41 0.10 1.60 2.01 -0.98 -2.64 115.64 114.57 1iru s THR 109 Ca -0.04 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.38 1iru s THR 109 Cb -0.02 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 1iru s THR 109 CO -0.05 0.42 -0.15 -0.04 -0.69 0.00 0.00 174.62 174.11 1iru s MET 110 N 0.63 0.96 -0.20 4.92 -1.94 0.47 -0.83 119.30 123.31 1iru s MET 110 Ca -0.15 -1.12 -0.02 0.00 -1.71 0.00 0.00 55.69 52.70 1iru s MET 110 Cb -0.16 -0.95 0.00 0.00 2.01 0.00 0.00 34.83 35.73 1iru s MET 110 CO 0.04 0.20 -0.11 0.08 -0.01 0.00 0.00 175.02 175.23 1iru s VAL 111 N -1.64 2.87 -0.27 -6.03 1.01 0.49 -1.72 120.40 115.11 1iru s VAL 111 Ca 0.04 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 1iru s VAL 111 Cb -0.08 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1iru s VAL 111 CO 0.03 0.47 0.15 -0.63 0.00 0.00 0.00 175.10 175.12 1iru s ILE 112 N 1.31 4.98 -0.14 2.22 -1.09 0.11 -0.70 121.20 127.89 1iru s ILE 112 Ca 0.04 0.06 -0.02 0.00 -2.23 0.00 0.00 60.65 58.50 1iru s ILE 112 Cb -0.14 -3.36 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 1iru s ILE 112 CO -0.06 0.28 -0.07 -0.83 -1.23 0.00 0.00 174.94 173.03 1iru s GLY 113 N 1.69 1.65 0.18 6.18 0.00 0.12 -0.52 107.32 116.63 1iru s GLY 113 Ca 0.07 -0.85 -0.15 0.00 0.00 0.00 0.00 44.72 43.79 1iru s GLY 113 CO 0.08 -0.18 0.45 -0.32 0.00 0.00 0.00 173.10 173.13 1iru s GLY 114 N 0.21 0.05 -0.10 0.20 0.00 0.11 0.84 107.32 108.63 1iru s GLY 114 Ca -0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 44.72 44.24 1iru s GLY 114 CO 0.04 -0.42 0.20 -0.47 0.00 0.00 0.00 173.10 172.45 1iru s TYR 115 N -3.89 -0.28 -0.29 1.90 5.04 -0.34 0.13 117.35 119.62 1iru s TYR 115 Ca 0.11 0.74 -0.15 0.00 -2.44 0.00 0.00 57.07 55.32 1iru s TYR 115 Cb 0.00 -0.11 0.11 0.00 0.35 0.00 0.00 41.96 42.31 1iru s TYR 115 CO -0.03 -0.28 0.79 0.00 -1.34 0.00 0.00 175.55 174.69 1iru s ALA 116 N 2.01 -2.05 -0.58 3.97 0.00 -0.79 -4.71 121.76 119.60 1iru s ALA 116 Ca -0.01 2.34 -0.03 0.00 0.00 0.00 0.00 51.96 54.25 1iru s ALA 116 Cb -0.12 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.43 1iru s ALA 116 CO -0.07 -0.44 0.50 -0.25 0.00 0.00 0.00 175.76 175.50 1iru n ASP 117 N 4.26 -3.62 0.00 0.00 8.00 -1.26 -3.08 116.55 120.86 1iru n ASP 117 Ca -0.18 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.08 1iru n ASP 117 Cb 0.57 -2.47 0.00 0.00 -0.02 0.00 0.00 41.12 39.21 1iru n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iru n GLY 118 N -1.14 0.23 3.66 0.44 0.00 -1.26 -4.95 105.19 102.16 1iru n GLY 118 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1iru n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iru s GLU 119 N -0.88 2.52 -0.08 1.61 0.41 -1.18 -4.80 118.70 116.30 1iru s GLU 119 Ca 0.00 -0.81 -0.16 0.00 -0.41 0.00 0.00 54.97 53.59 1iru s GLU 119 Cb 0.00 -2.52 -0.05 0.00 -1.78 0.00 0.00 34.13 29.78 1iru s GLU 119 CO 0.00 0.56 0.40 -1.12 -0.49 0.00 0.00 175.26 174.61 1iru s SER 120 N -2.04 6.66 -0.09 -0.19 0.01 -1.26 -1.89 113.70 114.90 1iru s SER 120 Ca 0.23 0.79 0.02 0.00 1.31 0.00 0.00 55.95 58.30 1iru s SER 120 Cb -0.11 -2.24 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 1iru s SER 120 CO 0.15 0.15 -0.15 0.12 0.41 0.00 0.00 173.24 173.92 1iru s PHE 121 N -0.08 2.72 -0.16 2.43 5.36 0.35 -4.97 117.98 123.62 1iru s PHE 121 Ca 0.23 -0.48 -0.04 0.00 -0.96 0.00 0.00 56.93 55.67 1iru s PHE 121 Cb -0.15 -1.73 0.08 0.00 -0.34 0.00 0.00 43.02 40.88 1iru s PHE 121 CO 0.10 -0.07 0.22 -1.17 -1.46 0.00 0.00 175.22 172.84 1iru s LEU 122 N -0.12 -0.16 0.06 6.12 2.96 -1.25 0.05 118.68 126.34 1iru s LEU 122 Ca -0.02 0.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.03 1iru s LEU 122 Cb -0.14 0.46 -0.03 0.00 0.50 0.00 0.00 46.19 46.99 1iru s LEU 122 CO 0.04 -0.29 -0.15 -0.83 -1.32 0.00 0.00 176.35 173.80 1iru s GLY 123 N 2.35 0.88 -0.03 7.98 0.00 0.32 -2.65 107.32 116.16 1iru s GLY 123 Ca 0.05 -0.95 -0.00 0.00 0.00 0.00 0.00 44.72 43.82 1iru s GLY 123 CO -0.10 -0.94 0.02 -0.47 0.00 0.00 0.00 173.10 171.60 1iru s TYR 124 N -1.05 3.16 -0.13 1.90 5.04 -0.10 0.08 117.35 126.25 1iru s TYR 124 Ca 0.01 0.15 -0.05 0.00 -2.44 0.00 0.00 57.07 54.74 1iru s TYR 124 Cb -0.09 -1.73 0.06 0.00 0.35 0.00 0.00 41.96 40.55 1iru s TYR 124 CO 0.02 0.49 0.28 0.08 -1.34 0.00 0.00 175.55 175.07 1iru s VAL 125 N -1.04 -0.30 0.82 3.14 1.01 -0.70 -2.71 120.40 120.63 1iru s VAL 125 Ca 0.18 0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.28 1iru s VAL 125 Cb -0.12 -0.45 0.13 0.00 0.00 0.00 0.00 36.38 35.94 1iru s VAL 125 CO 0.08 0.09 1.16 -1.81 0.00 0.00 0.00 175.10 174.62 1iru s ASP 126 N 2.04 4.03 0.10 3.32 1.11 -0.44 -0.40 116.67 126.44 1iru s ASP 126 Ca -0.03 0.31 0.25 0.00 0.18 0.00 0.00 52.55 53.27 1iru s ASP 126 Cb -0.11 -0.66 0.60 0.00 1.07 0.00 0.00 42.92 43.82 1iru s ASP 126 CO -0.09 -2.13 1.52 1.15 1.18 0.00 0.00 175.17 176.80 1iru n MET 127 N -3.30 0.19 0.00 8.23 0.00 -1.08 -2.97 117.12 118.18 1iru n MET 127 Ca 0.12 0.08 0.11 0.00 0.00 0.00 0.00 57.70 58.01 1iru n MET 127 Cb 0.60 -1.65 0.03 0.00 0.00 0.00 0.00 33.22 32.21 1iru n MET 127 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1iru n LEU 128 N -1.94 0.90 0.00 3.17 4.77 -1.26 -4.35 117.00 118.29 1iru n LEU 128 Ca 0.05 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1iru n LEU 128 Cb 0.40 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1iru n LEU 128 CO 0.33 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1iru n GLY 129 N 1.49 0.87 3.71 -0.72 0.00 -1.16 -4.63 105.19 104.75 1iru n GLY 129 Ca 0.05 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1iru n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 130 N -2.00 4.59 0.00 1.61 1.01 -1.26 -4.81 120.40 119.54 1iru s VAL 130 Ca 0.00 1.86 -0.05 0.00 0.00 0.00 0.00 61.98 63.79 1iru s VAL 130 Cb 0.00 -4.20 -0.00 0.00 0.00 0.00 0.00 36.38 32.18 1iru s VAL 130 CO 0.00 0.11 0.09 0.00 0.00 0.00 0.00 175.10 175.31 1iru s ALA 131 N 1.26 -0.21 0.10 5.51 0.00 -1.26 -1.32 121.76 125.84 1iru s ALA 131 Ca 0.54 -0.20 -0.27 0.00 0.00 0.00 0.00 51.96 52.03 1iru s ALA 131 Cb -0.23 0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.05 1iru s ALA 131 CO 0.26 -0.18 0.99 1.52 0.00 0.00 0.00 175.76 178.35 1iru s TYR 132 N -1.23 -0.16 0.06 0.00 -0.85 -1.10 -4.99 117.35 109.08 1iru s TYR 132 Ca -0.13 -0.08 0.06 0.00 -0.52 0.00 0.00 57.07 56.40 1iru s TYR 132 Cb -0.07 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 1iru s TYR 132 CO 0.01 -0.70 -0.12 -1.21 -1.52 0.00 0.00 175.55 172.01 1iru s GLU 133 N -3.14 2.19 -0.01 -3.49 2.02 -1.26 -0.92 118.70 114.09 1iru s GLU 133 Ca 0.11 -0.95 -0.28 0.00 0.02 0.00 0.00 54.97 53.87 1iru s GLU 133 Cb -0.01 -2.31 0.10 0.00 0.10 0.00 0.00 34.13 32.02 1iru s GLU 133 CO -0.01 0.54 0.85 0.00 0.02 0.00 0.00 175.26 176.67 1iru s ALA 134 N -1.07 -1.81 0.37 5.21 0.00 -1.08 -5.02 121.76 118.36 1iru s ALA 134 Ca 0.18 1.06 0.22 0.00 0.00 0.00 0.00 51.96 53.42 1iru s ALA 134 Cb -0.11 0.28 1.18 0.00 0.00 0.00 0.00 23.12 24.47 1iru s ALA 134 CO 0.09 -0.62 1.98 -1.00 0.00 0.00 0.00 175.76 176.22 1iru h PRO 135 N 2.15 0.00 -3.77 0.00 0.13 -1.95 -3.41 132.00 125.15 1iru h PRO 135 Ca -0.23 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.67 1iru h PRO 135 Cb 1.23 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.09 1iru h PRO 135 CO 0.32 0.19 -0.72 -1.54 -0.23 0.00 0.00 178.00 176.03 1iru s SER 136 N -6.42 0.04 -0.00 1.44 1.04 -1.26 -1.94 113.70 106.59 1iru s SER 136 Ca -0.03 -0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.35 1iru s SER 136 Cb 0.13 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 1iru s SER 136 CO 0.63 -0.04 -0.05 -0.76 0.98 0.00 0.00 173.24 174.00 1iru s LEU 137 N -0.21 2.02 -0.18 2.42 1.43 0.23 -4.99 118.68 119.39 1iru s LEU 137 Ca -0.02 -0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 52.91 1iru s LEU 137 Cb -0.01 -0.25 0.09 0.00 0.03 0.00 0.00 46.19 46.04 1iru s LEU 137 CO -0.00 0.05 0.34 0.00 0.23 0.00 0.00 176.35 176.97 1iru s ALA 138 N -0.20 -0.87 0.51 4.21 0.00 -1.26 -0.39 121.76 123.77 1iru s ALA 138 Ca 0.01 1.10 0.09 0.00 0.00 0.00 0.00 51.96 53.16 1iru s ALA 138 Cb -0.02 -1.28 0.05 0.00 0.00 0.00 0.00 23.12 21.87 1iru s ALA 138 CO -0.00 -0.84 0.70 0.95 0.00 0.00 0.00 175.76 176.57 1iru s THR 139 N 2.51 2.51 0.00 0.00 -4.23 -0.64 -3.26 115.64 112.54 1iru s THR 139 Ca 0.03 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1iru s THR 139 Cb -0.13 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1iru s THR 139 CO -0.12 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1iru n GLY 140 N -2.10 2.61 0.23 3.99 0.00 -1.26 -1.24 105.19 107.42 1iru n GLY 140 Ca 0.12 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.87 1iru n GLY 140 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1iru h TYR 141 N 0.00 0.00 -0.30 1.61 -1.99 -1.94 -2.35 116.97 112.00 1iru h TYR 141 Ca 0.00 0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.82 1iru h TYR 141 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 1iru h TYR 141 CO 0.00 0.22 0.39 0.78 -0.00 0.00 0.00 178.16 179.55 1iru h GLY 142 N 1.13 0.00 2.00 3.88 0.00 -1.47 0.30 103.07 108.90 1iru h GLY 142 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iru h GLY 142 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.57 1iru n ALA 143 N -2.25 1.88 -0.03 3.60 0.00 -0.88 -0.72 120.51 122.10 1iru n ALA 143 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1iru n ALA 143 Cb 0.53 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.57 1iru n ALA 143 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1iru n TYR 144 N -1.75 0.00 -0.08 0.00 4.02 0.95 -4.53 117.16 115.77 1iru n TYR 144 Ca 0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.82 1iru n TYR 144 Cb 0.25 -0.34 -0.08 0.00 -0.02 0.00 0.00 39.34 39.15 1iru n TYR 144 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1iru n LEU 145 N -2.13 2.87 -0.09 7.72 4.77 -0.63 -4.68 117.00 124.84 1iru n LEU 145 Ca -0.09 -0.09 -0.15 0.00 -0.03 0.00 0.00 56.01 55.65 1iru n LEU 145 Cb 0.58 -0.55 -0.08 0.00 -2.33 0.00 0.00 43.42 41.04 1iru n LEU 145 CO 0.18 0.76 -0.38 0.00 -1.33 0.00 0.00 177.39 176.63 1iru h ALA 146 N 0.02 0.16 -0.93 -1.18 0.00 -1.12 -3.39 119.26 112.81 1iru h ALA 146 Ca -0.37 -0.90 0.27 0.00 0.00 0.00 0.00 54.91 53.90 1iru h ALA 146 Cb 1.58 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 19.92 1iru h ALA 146 CO -0.05 0.56 0.66 0.37 0.00 0.00 0.00 179.25 180.79 1iru h GLN 147 N -1.00 0.04 -0.04 0.00 5.75 -1.37 0.13 115.11 118.62 1iru h GLN 147 Ca -0.21 -0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.16 1iru h GLN 147 Cb 0.99 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.52 1iru h GLN 147 CO -0.13 0.03 -0.58 -1.35 -2.65 0.00 0.00 178.83 174.16 1iru h PRO 148 N 0.04 0.14 0.05 -2.39 0.11 -1.83 -2.03 132.00 126.10 1iru h PRO 148 Ca 0.45 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.47 1iru h PRO 148 Cb 1.72 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.85 1iru h PRO 148 CO -0.03 0.67 -0.03 -0.07 -0.21 0.00 0.00 178.00 178.34 1iru h LEU 149 N 0.10 -0.06 -0.52 2.35 3.38 -0.98 -2.23 115.31 117.36 1iru h LEU 149 Ca -0.00 -0.53 0.10 0.00 0.09 0.00 0.00 57.88 57.54 1iru h LEU 149 Cb 1.05 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 1iru h LEU 149 CO 0.08 0.53 0.06 -0.07 0.09 0.00 0.00 178.44 179.13 1iru h LEU 150 N -0.69 -0.09 -0.24 1.67 3.38 -1.30 -1.67 115.31 116.38 1iru h LEU 150 Ca -0.01 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1iru h LEU 150 Cb 0.58 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1iru h LEU 150 CO 0.01 -0.02 0.07 0.03 0.09 0.00 0.00 178.44 178.62 1iru h ARG 151 N 0.19 0.37 -0.72 1.13 3.08 -1.44 -1.90 114.38 115.08 1iru h ARG 151 Ca 0.26 -0.08 0.14 0.00 0.07 0.00 0.00 59.98 60.37 1iru h ARG 151 Cb 0.38 -0.05 -0.14 0.00 0.08 0.00 0.00 29.97 30.24 1iru h ARG 151 CO -0.38 0.46 -0.26 1.49 -1.07 0.00 0.00 179.97 180.21 1iru h GLU 152 N 0.22 -0.06 -0.00 0.04 4.81 -0.70 0.21 114.58 119.10 1iru h GLU 152 Ca 0.08 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1iru h GLU 152 Cb 0.25 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1iru h GLU 152 CO -0.00 -0.04 0.00 0.28 -0.73 0.00 0.00 179.01 178.52 1iru h VAL 153 N -0.06 1.08 0.00 0.32 2.07 -1.17 -3.06 116.25 115.43 1iru h VAL 153 Ca 0.32 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1iru h VAL 153 Cb 0.56 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1iru h VAL 153 CO -0.77 0.06 0.00 -0.07 0.02 0.00 0.00 177.57 176.81 1iru h LEU 154 N -0.09 0.00 -0.28 2.57 3.38 -0.27 -1.99 115.31 118.63 1iru h LEU 154 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iru h LEU 154 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1iru h LEU 154 CO -0.00 0.00 -0.05 1.21 0.09 0.00 0.00 178.44 179.69 1iru n GLU 155 N -2.58 0.93 0.00 1.13 2.13 0.59 -3.07 120.64 119.77 1iru n GLU 155 Ca 0.01 -0.28 0.00 0.00 0.66 0.00 0.00 57.16 57.55 1iru n GLU 155 Cb 0.23 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.45 1iru n GLU 155 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1iru n LYS 156 N -0.79 0.34 -2.66 5.31 5.02 -0.81 -4.93 118.16 119.65 1iru n LYS 156 Ca 0.18 -0.61 -0.03 0.00 -2.02 0.00 0.00 58.31 55.82 1iru n LYS 156 Cb 0.24 -0.80 0.04 0.00 -0.02 0.00 0.00 35.03 34.50 1iru n LYS 156 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1iru n GLN 157 N -0.12 0.05 -0.03 1.97 7.27 -0.85 -5.04 117.38 120.64 1iru n GLN 157 Ca 0.00 -0.64 0.24 0.00 0.07 0.00 0.00 57.00 56.66 1iru n GLN 157 Cb 0.20 0.26 0.72 0.00 2.41 0.00 0.00 30.24 33.83 1iru n GLN 157 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 1iru h PRO 158 N 3.97 0.00 -4.78 3.69 0.11 -1.80 -3.40 132.00 129.79 1iru h PRO 158 Ca -0.04 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.39 1iru h PRO 158 Cb 1.18 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.01 1iru h PRO 158 CO -0.14 0.00 -0.64 0.14 -0.21 0.00 0.00 178.00 177.15 1iru s VAL 159 N -4.76 3.68 0.33 3.15 -7.23 -1.26 -5.00 120.40 109.30 1iru s VAL 159 Ca -0.04 -0.91 0.08 0.00 -1.81 0.00 0.00 61.98 59.29 1iru s VAL 159 Cb 0.18 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 1iru s VAL 159 CO 0.64 0.02 0.21 -0.76 -0.31 0.00 0.00 175.10 174.90 1iru s LEU 160 N 1.43 3.46 0.23 1.32 1.43 -1.26 -4.98 118.68 120.30 1iru s LEU 160 Ca 0.01 -0.60 0.06 0.00 -1.03 0.00 0.00 54.13 52.56 1iru s LEU 160 Cb -0.18 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1iru s LEU 160 CO 0.01 -0.30 0.23 -0.94 0.23 0.00 0.00 176.35 175.59 1iru s SER 161 N -3.91 5.79 0.53 2.29 1.04 -1.26 -0.97 113.70 117.21 1iru s SER 161 Ca 0.39 -0.12 0.37 0.00 0.48 0.00 0.00 55.95 57.07 1iru s SER 161 Cb -0.05 -1.57 1.54 0.00 0.10 0.00 0.00 66.02 66.05 1iru s SER 161 CO 0.25 -0.02 1.78 -0.61 0.98 0.00 0.00 173.24 175.61 1iru h GLN 162 N 1.62 0.03 0.17 4.02 4.15 -1.93 0.53 115.11 123.70 1iru h GLN 162 Ca -0.49 -0.00 -0.24 0.00 0.77 0.00 0.00 58.65 58.69 1iru h GLN 162 Cb 1.23 -0.01 0.02 0.00 0.21 0.00 0.00 27.48 28.93 1iru h GLN 162 CO 0.62 0.02 -1.06 1.79 -1.93 0.00 0.00 178.83 178.27 1iru h THR 163 N 0.03 1.40 -0.88 2.39 1.35 -1.99 -2.13 112.91 113.08 1iru h THR 163 Ca 0.61 -2.57 -0.02 0.00 -0.55 0.00 0.00 66.41 63.88 1iru h THR 163 Cb 2.38 3.11 -0.04 0.00 -1.73 0.00 0.00 68.15 71.87 1iru h THR 163 CO -0.03 0.74 0.48 -0.33 -0.25 0.00 0.00 175.52 176.13 1iru h GLU 164 N -0.22 1.23 0.42 4.72 5.08 -1.36 -2.02 114.58 122.43 1iru h GLU 164 Ca -0.19 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1iru h GLU 164 Cb 1.80 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1iru h GLU 164 CO 0.18 0.90 -0.20 0.00 -1.00 0.00 0.00 179.01 178.89 1iru h ALA 165 N 1.26 -0.56 -0.20 3.43 0.00 -1.10 -2.45 119.26 119.64 1iru h ALA 165 Ca 0.31 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1iru h ALA 165 Cb 0.03 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1iru h ALA 165 CO -0.05 -0.68 0.29 -0.09 0.00 0.00 0.00 179.25 178.71 1iru h ARG 166 N -0.83 0.00 -0.22 0.00 2.43 -1.24 0.23 114.38 114.76 1iru h ARG 166 Ca -0.06 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.97 1iru h ARG 166 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1iru h ARG 166 CO 0.09 0.00 -0.43 0.22 -1.51 0.00 0.00 179.97 178.34 1iru h ASP 167 N 0.00 0.76 -0.25 -3.80 1.82 -1.04 -2.61 116.42 111.29 1iru h ASP 167 Ca 0.10 -0.55 -0.04 0.00 -0.39 0.00 0.00 57.03 56.15 1iru h ASP 167 Cb 0.67 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.45 1iru h ASP 167 CO -0.00 1.16 0.00 0.25 -1.61 0.00 0.00 179.24 179.04 1iru h LEU 168 N 0.38 0.44 -0.38 2.28 6.46 -0.13 -2.24 115.31 122.11 1iru h LEU 168 Ca 0.01 -0.31 0.05 0.00 -0.12 0.00 0.00 57.88 57.51 1iru h LEU 168 Cb 1.04 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.81 1iru h LEU 168 CO 0.10 0.64 0.12 0.58 -0.62 0.00 0.00 178.44 179.26 1iru h VAL 169 N 0.22 0.87 -0.72 1.05 2.07 -1.25 -0.08 116.25 118.42 1iru h VAL 169 Ca 0.07 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1iru h VAL 169 Cb 0.41 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1iru h VAL 169 CO 0.01 0.05 0.45 -0.33 0.02 0.00 0.00 177.57 177.78 1iru h GLU 170 N 0.27 0.86 -0.71 1.57 3.07 -1.39 0.21 114.58 118.48 1iru h GLU 170 Ca 0.18 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1iru h GLU 170 Cb 0.16 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 1iru h GLU 170 CO -0.19 0.57 0.40 0.00 -1.40 0.00 0.00 179.01 178.39 1iru h ARG 171 N 0.89 0.97 -0.11 2.33 3.08 -0.74 -2.59 114.38 118.21 1iru h ARG 171 Ca 0.29 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1iru h ARG 171 Cb 0.02 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.87 1iru h ARG 171 CO -0.11 0.72 -0.06 0.00 -1.07 0.00 0.00 179.97 179.45 1iru n MET 173 N -4.70 0.07 -0.09 0.00 2.81 0.68 -0.49 117.12 115.41 1iru n MET 173 Ca -0.06 0.54 -0.22 0.00 -1.81 0.00 0.00 57.70 56.15 1iru n MET 173 Cb 0.28 -1.79 -0.12 0.00 -0.71 0.00 0.00 33.22 30.88 1iru n MET 173 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1iru n ARG 174 N -1.85 0.60 -0.33 0.03 0.63 -0.99 -3.05 116.66 111.69 1iru n ARG 174 Ca -0.01 0.52 -0.01 0.00 -0.92 0.00 0.00 57.85 57.44 1iru n ARG 174 Cb 0.08 -1.74 0.12 0.00 0.45 0.00 0.00 32.46 31.37 1iru n ARG 174 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1iru h VAL 175 N -0.83 1.15 -0.50 5.15 2.07 -0.57 -0.66 116.25 122.06 1iru h VAL 175 Ca -0.37 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1iru h VAL 175 Cb 1.43 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1iru h VAL 175 CO -0.17 0.21 0.32 -0.07 0.02 0.00 0.00 177.57 177.88 1iru h LEU 176 N 1.13 0.55 -1.23 2.57 3.38 -0.93 -1.32 115.31 119.46 1iru h LEU 176 Ca 0.36 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 1iru h LEU 176 Cb 0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1iru h LEU 176 CO -0.12 0.39 0.38 0.22 0.09 0.00 0.00 178.44 179.41 1iru h TYR 177 N 0.65 0.89 -0.18 1.13 3.20 -1.15 0.35 116.97 121.85 1iru h TYR 177 Ca 0.19 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.91 1iru h TYR 177 Cb -0.05 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 1iru h TYR 177 CO -0.05 0.61 -0.48 1.88 -1.64 0.00 0.00 178.16 178.48 1iru h TYR 178 N 0.92 0.57 0.00 -3.82 0.99 -0.72 -3.40 116.97 111.51 1iru h TYR 178 Ca 0.24 -0.18 -0.05 0.00 2.00 0.00 0.00 58.73 60.73 1iru h TYR 178 Cb -0.00 -0.12 -0.01 0.00 1.00 0.00 0.00 36.73 37.60 1iru h TYR 178 CO 0.00 0.86 -1.36 0.54 -0.00 0.00 0.00 178.16 178.21 1iru n ARG 179 N -3.98 1.51 -2.92 4.88 5.12 -0.54 -4.94 116.66 115.79 1iru n ARG 179 Ca -0.02 -0.03 -0.42 0.00 -1.93 0.00 0.00 57.85 55.44 1iru n ARG 179 Cb 0.55 -1.16 -0.05 0.00 -1.16 0.00 0.00 32.46 30.65 1iru n ARG 179 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1iru s ASP 180 N -3.23 6.54 0.00 0.55 -1.08 0.12 -4.91 116.67 114.66 1iru s ASP 180 Ca -0.03 0.27 0.09 0.00 -0.52 0.00 0.00 52.55 52.37 1iru s ASP 180 Cb 0.03 -2.41 0.45 0.00 -1.46 0.00 0.00 42.92 39.53 1iru s ASP 180 CO 0.26 -0.83 1.21 0.00 0.52 0.00 0.00 175.17 176.33 1iru n ALA 181 N 6.63 1.56 -1.40 3.66 0.00 -1.26 -2.37 120.51 127.34 1iru n ALA 181 Ca 0.04 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1iru n ALA 181 Cb 0.48 -1.15 0.19 0.00 0.00 0.00 0.00 19.45 18.97 1iru n ALA 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iru n ARG 182 N -1.33 1.59 -3.11 0.00 1.74 -1.26 -5.02 116.66 109.26 1iru n ARG 182 Ca 0.04 -3.06 -0.18 0.00 -0.77 0.00 0.00 57.85 53.89 1iru n ARG 182 Cb 0.08 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 1iru n ARG 182 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1iru s SER 183 N -2.99 5.63 -0.03 0.55 1.04 -1.00 -4.58 113.70 112.32 1iru s SER 183 Ca 0.37 -0.43 -0.01 0.00 0.48 0.00 0.00 55.95 56.37 1iru s SER 183 Cb 0.35 -0.71 0.03 0.00 0.10 0.00 0.00 66.02 65.79 1iru s SER 183 CO -0.03 -0.72 0.05 -0.47 0.98 0.00 0.00 173.24 173.06 1iru s TYR 184 N -2.35 -0.01 -1.57 5.02 5.04 -1.26 -5.03 117.35 117.19 1iru s TYR 184 Ca 0.53 0.18 -0.10 0.00 -2.44 0.00 0.00 57.07 55.24 1iru s TYR 184 Cb -0.09 -0.19 -0.05 0.00 0.35 0.00 0.00 41.96 41.98 1iru s TYR 184 CO 0.32 -0.09 2.78 -1.71 -1.34 0.00 0.00 175.55 175.51 1iru n ASN 185 N 4.07 7.80 -3.20 4.32 5.15 -1.26 -4.44 115.26 127.69 1iru n ASN 185 Ca -0.26 -2.67 0.01 0.00 -0.60 0.00 0.00 54.58 51.06 1iru n ASN 185 Cb 0.51 -1.56 -0.01 0.00 -0.53 0.00 0.00 39.78 38.19 1iru n ASN 185 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1iru s ARG 186 N 2.08 0.79 0.03 1.20 3.52 -1.25 -4.58 118.95 120.74 1iru s ARG 186 Ca 0.64 -0.19 0.00 0.00 -0.13 0.00 0.00 55.73 56.05 1iru s ARG 186 Cb 0.17 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.67 1iru s ARG 186 CO -0.07 -1.17 0.00 1.97 -0.81 0.00 0.00 175.30 175.22 1iru n PHE 187 N 4.51 0.04 -4.24 5.12 1.16 -1.06 -0.48 117.46 122.52 1iru n PHE 187 Ca 0.10 -0.14 -0.14 0.00 -1.87 0.00 0.00 57.45 55.40 1iru n PHE 187 Cb 0.57 -0.02 -0.10 0.00 -1.61 0.00 0.00 39.48 38.32 1iru n PHE 187 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1iru s GLN 188 N -2.11 1.02 -0.06 3.97 -0.21 -0.99 -1.23 119.66 120.06 1iru s GLN 188 Ca 0.00 -1.41 0.00 0.00 0.02 0.00 0.00 55.36 53.98 1iru s GLN 188 Cb -0.00 -0.58 0.02 0.00 1.00 0.00 0.00 33.01 33.45 1iru s GLN 188 CO 0.00 0.07 -0.04 0.99 -2.12 0.00 0.00 175.29 174.19 1iru s THR 189 N -3.23 0.60 -0.04 -0.19 2.01 -1.21 -2.79 115.64 110.78 1iru s THR 189 Ca 0.15 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.07 1iru s THR 189 Cb 0.02 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 1iru s THR 189 CO 0.00 0.26 -0.07 0.00 -0.69 0.00 0.00 174.62 174.12 1iru s ALA 190 N 1.33 2.98 0.01 7.40 0.00 0.74 0.01 121.76 134.24 1iru s ALA 190 Ca -0.04 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1iru s ALA 190 Cb -0.14 -1.18 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 1iru s ALA 190 CO -0.02 0.59 -0.06 0.99 0.00 0.00 0.00 175.76 177.25 1iru s THR 191 N -0.87 0.44 -0.05 0.00 2.01 0.87 -0.34 115.64 117.70 1iru s THR 191 Ca 0.14 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 61.71 1iru s THR 191 Cb -0.11 -0.42 -0.00 0.00 0.01 0.00 0.00 72.50 71.98 1iru s THR 191 CO 0.03 -0.03 -0.18 0.68 -0.69 0.00 0.00 174.62 174.43 1iru s VAL 192 N -0.49 1.52 0.32 3.82 -7.23 0.10 -0.74 120.40 117.70 1iru s VAL 192 Ca -0.02 -0.76 -0.08 0.00 -1.81 0.00 0.00 61.98 59.31 1iru s VAL 192 Cb -0.04 -1.30 0.01 0.00 0.56 0.00 0.00 36.38 35.60 1iru s VAL 192 CO -0.00 0.43 0.53 0.42 -0.31 0.00 0.00 175.10 176.18 1iru s THR 193 N 0.08 0.00 0.59 5.32 -4.23 -0.14 -1.43 115.64 115.82 1iru s THR 193 Ca -0.05 -1.42 0.30 0.00 -1.18 0.00 0.00 61.69 59.33 1iru s THR 193 Cb -0.12 -2.53 0.42 0.00 1.34 0.00 0.00 72.50 71.60 1iru s THR 193 CO 0.03 0.00 1.75 -0.33 -0.54 0.00 0.00 174.62 175.53 1iru h GLU 194 N 2.14 0.00 0.00 3.99 5.08 -1.91 1.18 114.58 125.06 1iru h GLU 194 Ca -0.28 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 1iru h GLU 194 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1iru h GLU 194 CO 0.38 0.00 -0.28 0.87 -1.00 0.00 0.00 179.01 178.98 1iru h LYS 195 N 0.00 0.00 0.00 2.33 1.79 -1.94 -3.50 116.57 115.25 1iru h LYS 195 Ca 0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 1iru h LYS 195 Cb 1.77 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.42 1iru h LYS 195 CO -0.00 0.28 0.00 0.41 -1.08 0.00 0.00 179.45 179.06 1iru n GLY 196 N 0.68 0.57 3.41 3.86 0.00 0.41 -5.04 105.19 109.07 1iru n GLY 196 Ca 0.01 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 1iru n GLY 196 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 197 N -1.99 3.56 -0.03 1.61 1.01 -1.25 -0.97 120.40 122.34 1iru s VAL 197 Ca 0.00 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.57 1iru s VAL 197 Cb 0.00 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1iru s VAL 197 CO 0.00 0.47 -0.16 -0.70 0.00 0.00 0.00 175.10 174.71 1iru s GLU 198 N 0.79 1.54 -0.10 2.72 2.12 0.09 -4.96 118.70 120.89 1iru s GLU 198 Ca -0.02 -0.57 0.03 0.00 0.36 0.00 0.00 54.97 54.78 1iru s GLU 198 Cb -0.15 -1.40 0.00 0.00 0.26 0.00 0.00 34.13 32.85 1iru s GLU 198 CO 0.02 0.27 -0.22 0.42 -0.54 0.00 0.00 175.26 175.21 1iru s ILE 199 N -0.09 1.92 -0.22 -3.70 1.01 -1.26 -0.09 121.20 118.77 1iru s ILE 199 Ca -0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 1iru s ILE 199 Cb -0.09 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 1iru s ILE 199 CO 0.01 0.53 0.09 -1.61 0.00 0.00 0.00 174.94 173.96 1iru s GLU 200 N 0.47 3.90 0.73 2.79 2.02 0.10 -4.95 118.70 123.75 1iru s GLU 200 Ca -0.16 -0.37 -0.13 0.00 0.02 0.00 0.00 54.97 54.33 1iru s GLU 200 Cb -0.17 -3.33 -0.09 0.00 0.10 0.00 0.00 34.13 30.63 1iru s GLU 200 CO 0.06 0.07 -0.72 0.41 0.02 0.00 0.00 175.26 175.11 1iru n GLY 201 N 4.17 -1.91 3.41 -1.39 0.00 -1.26 -3.36 105.19 104.84 1iru n GLY 201 Ca -0.16 -0.05 -0.58 0.00 0.00 0.00 0.00 46.02 45.23 1iru n GLY 201 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1iru n PRO 202 N 2.22 0.41 -4.22 1.61 -0.04 -1.26 -4.67 135.00 129.05 1iru n PRO 202 Ca -0.01 0.12 -0.28 0.00 -0.04 0.00 0.00 63.50 63.29 1iru n PRO 202 Cb 0.35 -1.82 -0.04 0.00 -0.04 0.00 0.00 33.50 31.95 1iru n PRO 202 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1iru s LEU 203 N 5.74 2.61 0.33 1.53 1.43 -0.36 -4.94 118.68 125.01 1iru s LEU 203 Ca 1.13 -1.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.69 1iru s LEU 203 Cb -1.28 -1.06 0.03 0.00 0.03 0.00 0.00 46.19 43.91 1iru s LEU 203 CO 0.63 -0.95 0.72 -0.44 0.23 0.00 0.00 176.35 176.55 1iru s SER 204 N -4.09 -0.07 0.04 2.29 0.01 -1.26 -2.56 113.70 108.06 1iru s SER 204 Ca 0.25 -0.91 0.05 0.00 1.31 0.00 0.00 55.95 56.64 1iru s SER 204 Cb -0.00 0.77 -0.02 0.00 0.21 0.00 0.00 66.02 66.98 1iru s SER 204 CO 0.15 -1.48 -0.13 -0.89 0.41 0.00 0.00 173.24 171.29 1iru s THR 205 N -3.17 1.03 0.12 1.44 2.01 -1.26 -5.03 115.64 110.78 1iru s THR 205 Ca 0.15 -1.03 -0.31 0.00 0.31 0.00 0.00 61.69 60.80 1iru s THR 205 Cb -0.05 -0.95 -0.09 0.00 0.01 0.00 0.00 72.50 71.42 1iru s THR 205 CO 0.10 -0.07 1.48 -1.61 -0.69 0.00 0.00 174.62 173.82 1iru s GLU 206 N -1.25 4.27 0.00 4.92 8.01 -1.26 -4.98 118.70 128.41 1iru s GLU 206 Ca -0.00 2.20 0.07 0.00 0.01 0.00 0.00 54.97 57.24 1iru s GLU 206 Cb -0.08 -3.25 -0.03 0.00 -4.31 0.00 0.00 34.13 26.46 1iru s GLU 206 CO 0.01 -0.53 -0.20 0.95 0.01 0.00 0.00 175.26 175.50 1iru s THR 207 N 1.30 2.59 -0.28 3.63 -4.23 -1.26 -5.04 115.64 112.35 1iru s THR 207 Ca 0.67 -1.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.10 1iru s THR 207 Cb -0.39 -2.01 0.04 0.00 1.34 0.00 0.00 72.50 71.47 1iru s THR 207 CO 0.31 0.47 -0.03 0.21 -0.54 0.00 0.00 174.62 175.04 1iru s ASN 208 N -1.01 4.67 -0.31 3.99 2.47 -1.26 -4.99 114.94 118.50 1iru s ASN 208 Ca 0.12 -1.12 0.10 0.00 0.42 0.00 0.00 52.86 52.38 1iru s ASN 208 Cb -0.10 -1.69 0.60 0.00 -1.45 0.00 0.00 41.25 38.61 1iru s ASN 208 CO 0.02 -0.21 1.63 0.79 -3.72 0.00 0.00 177.10 175.62 1iru n TRP 209 N 4.64 1.80 0.40 0.43 7.02 -1.26 -4.69 117.44 125.78 1iru n TRP 209 Ca -0.14 -1.42 0.08 0.00 -1.02 0.00 0.00 57.50 55.00 1iru n TRP 209 Cb 0.45 -0.60 0.36 0.00 -2.42 0.00 0.00 31.31 29.10 1iru n TRP 209 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1iru n ASP 210 N -0.78 0.26 0.15 -0.99 8.00 -1.26 -1.65 116.55 120.29 1iru n ASP 210 Ca 0.38 0.57 0.13 0.00 0.71 0.00 0.00 54.79 56.58 1iru n ASP 210 Cb 1.23 -0.63 0.39 0.00 -0.02 0.00 0.00 41.12 42.09 1iru n ASP 210 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1iru h ILE 211 N 0.00 0.00 -0.53 0.53 3.07 -2.01 -3.13 117.51 115.44 1iru h ILE 211 Ca 0.00 -0.57 0.10 0.00 1.55 0.00 0.00 64.86 65.94 1iru h ILE 211 Cb 0.25 1.52 -0.03 0.00 -0.27 0.00 0.00 36.82 38.30 1iru h ILE 211 CO 0.00 0.00 0.36 0.00 -1.05 0.00 0.00 178.15 177.46 1iru h ALA 212 N 2.30 2.11 -0.11 0.16 0.00 -1.70 -0.43 119.26 121.59 1iru h ALA 212 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1iru h ALA 212 Cb 0.72 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1iru h ALA 212 CO 0.00 -0.23 0.00 0.72 0.00 0.00 0.00 179.25 179.74 1iru n HIS 213 N -4.46 0.41 -1.66 0.00 8.25 -1.18 -3.87 115.22 112.71 1iru n HIS 213 Ca 0.09 -0.16 -0.10 0.00 -0.26 0.00 0.00 57.72 57.28 1iru n HIS 213 Cb 0.39 -0.19 0.14 0.00 1.12 0.00 0.00 29.99 31.45 1iru n HIS 213 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1iru n MET 214 N 0.12 2.38 0.00 -0.41 2.00 -0.17 -4.82 117.12 116.22 1iru n MET 214 Ca 0.06 -3.53 0.00 0.00 0.00 0.00 0.00 57.70 54.22 1iru n MET 214 Cb 0.44 -1.94 0.00 0.00 0.00 0.00 0.00 33.22 31.72 1iru n MET 214 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 1iru n ILE 215 N -0.98 0.00 0.28 2.02 5.41 -1.25 -4.19 119.36 120.64 1iru n ILE 215 Ca 0.35 1.35 -0.12 0.00 1.00 0.00 0.00 62.75 65.33 1iru n ILE 215 Cb 0.90 -2.26 -0.06 0.00 -0.71 0.00 0.00 39.64 37.51 1iru n ILE 215 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1iru h SER 216 N 0.00 -0.71 0.00 4.38 4.64 -1.94 -3.54 113.55 116.37 1iru h SER 216 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1iru h SER 216 Cb 0.00 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1iru h SER 216 CO 0.00 -0.46 0.00 0.61 -0.87 0.00 0.00 176.83 176.11