#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iru s THR 2 N 0.00 -0.33 0.25 12.58 2.01 -1.26 -0.58 115.64 128.31 1iru s THR 2 Ca 0.00 0.12 0.12 0.00 0.31 0.00 0.00 61.69 62.23 1iru s THR 2 Cb 0.00 -0.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.95 1iru s THR 2 CO 0.00 -0.02 -0.20 0.27 -0.69 0.00 0.00 174.62 173.98 1iru s ILE 3 N 2.34 2.53 -0.13 1.82 -4.36 -0.59 -2.76 121.20 120.05 1iru s ILE 3 Ca 0.04 -2.26 -0.30 0.00 -0.26 0.00 0.00 60.65 57.88 1iru s ILE 3 Cb -0.14 -2.30 0.10 0.00 1.25 0.00 0.00 42.46 41.37 1iru s ILE 3 CO -0.09 -0.32 0.84 -0.32 0.24 0.00 0.00 174.94 175.29 1iru s MET 4 N -3.28 0.80 -0.06 0.37 1.75 0.01 -1.21 119.30 117.68 1iru s MET 4 Ca 0.28 0.30 -0.07 0.00 -1.25 0.00 0.00 55.69 54.94 1iru s MET 4 Cb -0.06 0.38 0.02 0.00 2.84 0.00 0.00 34.83 38.01 1iru s MET 4 CO 0.14 -0.23 0.19 0.00 -0.65 0.00 0.00 175.02 174.47 1iru s ALA 5 N -0.91 -0.47 0.01 4.11 0.00 -0.06 -0.60 121.76 123.85 1iru s ALA 5 Ca -0.05 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.39 1iru s ALA 5 Cb -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 1iru s ALA 5 CO 0.04 -0.11 -0.10 0.08 0.00 0.00 0.00 175.76 175.67 1iru s VAL 6 N -0.14 0.77 -0.18 0.00 1.01 -0.35 -0.29 120.40 121.22 1iru s VAL 6 Ca -0.02 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 1iru s VAL 6 Cb -0.02 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1iru s VAL 6 CO 0.01 0.08 0.16 -1.58 0.00 0.00 0.00 175.10 173.76 1iru s GLN 7 N -0.60 4.12 0.07 2.72 0.74 -0.05 -1.02 119.66 125.64 1iru s GLN 7 Ca 0.01 -0.15 0.04 0.00 0.05 0.00 0.00 55.36 55.31 1iru s GLN 7 Cb -0.05 -3.40 -0.03 0.00 1.10 0.00 0.00 33.01 30.63 1iru s GLN 7 CO 0.00 0.34 -0.12 -0.59 -0.55 0.00 0.00 175.29 174.37 1iru s PHE 8 N 0.22 1.07 0.00 1.67 -0.12 -0.87 -4.90 117.98 115.06 1iru s PHE 8 Ca 0.10 -0.52 0.00 0.00 -0.05 0.00 0.00 56.93 56.47 1iru s PHE 8 Cb -0.11 -0.60 0.00 0.00 -0.63 0.00 0.00 43.02 41.67 1iru s PHE 8 CO -0.00 0.02 0.00 -3.47 -0.05 0.00 0.00 175.22 171.72 1iru n ASP 9 N 1.12 0.00 -0.73 1.98 -0.08 -1.26 -0.88 116.55 116.70 1iru n ASP 9 Ca -0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 1iru n ASP 9 Cb 0.55 0.00 0.03 0.00 2.34 0.00 0.00 41.12 44.05 1iru n ASP 9 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1iru n GLY 10 N 0.00 1.76 0.00 0.27 0.00 -1.26 -3.99 105.19 101.97 1iru n GLY 10 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1iru n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iru n GLY 11 N 0.12 -0.64 3.18 -0.02 0.00 -0.06 -3.57 105.19 104.20 1iru n GLY 11 Ca 0.03 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 1iru n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1iru s VAL 12 N -3.31 0.13 -0.02 1.61 -7.23 0.22 -2.04 120.40 109.77 1iru s VAL 12 Ca 0.00 -1.06 0.07 0.00 -1.81 0.00 0.00 61.98 59.18 1iru s VAL 12 Cb 0.00 -1.11 -0.02 0.00 0.56 0.00 0.00 36.38 35.80 1iru s VAL 12 CO 0.00 -0.58 -0.23 -0.69 -0.31 0.00 0.00 175.10 173.29 1iru s VAL 13 N -3.17 2.36 -0.03 1.32 1.01 -0.19 0.04 120.40 121.74 1iru s VAL 13 Ca -0.00 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1iru s VAL 13 Cb 0.02 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.54 1iru s VAL 13 CO -0.07 0.54 -0.08 -0.76 0.00 0.00 0.00 175.10 174.73 1iru s LEU 14 N -0.76 1.72 0.02 3.92 1.43 0.13 -1.21 118.68 123.93 1iru s LEU 14 Ca 0.11 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1iru s LEU 14 Cb -0.10 -0.52 -0.02 0.00 0.03 0.00 0.00 46.19 45.58 1iru s LEU 14 CO 0.00 0.04 -0.02 -0.83 0.23 0.00 0.00 176.35 175.78 1iru s GLY 15 N 0.30 0.25 0.13 -3.19 0.00 0.24 -1.63 107.32 103.42 1iru s GLY 15 Ca -0.05 -0.62 -0.23 0.00 0.00 0.00 0.00 44.72 43.83 1iru s GLY 15 CO 0.01 -0.69 0.58 0.00 0.00 0.00 0.00 173.10 173.00 1iru s ALA 16 N -1.69 -1.54 0.73 3.20 0.00 -0.99 -0.81 121.76 120.66 1iru s ALA 16 Ca -0.14 0.52 -0.02 0.00 0.00 0.00 0.00 51.96 52.32 1iru s ALA 16 Cb -0.08 0.77 0.04 0.00 0.00 0.00 0.00 23.12 23.85 1iru s ALA 16 CO -0.02 -0.71 0.22 -0.40 0.00 0.00 0.00 175.76 174.85 1iru n ASP 17 N -0.22 0.13 -0.04 0.00 5.75 -1.11 -1.37 116.55 119.69 1iru n ASP 17 Ca -0.17 -1.15 0.02 0.00 -0.01 0.00 0.00 54.79 53.48 1iru n ASP 17 Cb 0.64 -0.16 0.03 0.00 -1.03 0.00 0.00 41.12 40.60 1iru n ASP 17 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1iru n SER 18 N -3.08 1.71 -4.72 -1.12 3.41 -0.89 -4.47 113.62 104.45 1iru n SER 18 Ca 0.03 -2.11 -0.40 0.00 -0.26 0.00 0.00 58.87 56.13 1iru n SER 18 Cb 0.11 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1iru n SER 18 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1iru s ARG 19 N -1.24 4.43 -0.12 4.33 3.52 -1.07 -0.91 118.95 127.88 1iru s ARG 19 Ca 0.07 0.85 -0.03 0.00 -0.13 0.00 0.00 55.73 56.49 1iru s ARG 19 Cb 0.06 -3.44 0.05 0.00 -1.56 0.00 0.00 34.95 30.06 1iru s ARG 19 CO 0.01 0.10 0.06 0.95 -0.81 0.00 0.00 175.30 175.60 1iru s THR 20 N 0.69 0.09 0.32 4.11 -4.23 -0.78 -4.61 115.64 111.23 1iru s THR 20 Ca 0.36 -0.04 0.09 0.00 -1.18 0.00 0.00 61.69 60.92 1iru s THR 20 Cb -0.18 -0.54 -0.04 0.00 1.34 0.00 0.00 72.50 73.08 1iru s THR 20 CO 0.18 -0.06 0.09 0.42 -0.54 0.00 0.00 174.62 174.70 1iru s THR 21 N 2.07 3.08 -0.32 3.99 -4.23 -1.26 -1.53 115.64 117.44 1iru s THR 21 Ca 0.03 -1.79 -0.01 0.00 -1.18 0.00 0.00 61.69 58.74 1iru s THR 21 Cb -0.15 -2.92 0.10 0.00 1.34 0.00 0.00 72.50 70.87 1iru s THR 21 CO -0.07 -0.23 0.11 0.42 -0.54 0.00 0.00 174.62 174.31 1iru s THR 22 N -2.41 0.82 0.00 3.99 -4.23 -0.52 -4.88 115.64 108.40 1iru s THR 22 Ca 0.36 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 1iru s THR 22 Cb -0.03 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 72.19 1iru s THR 22 CO 0.21 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 1iru n GLY 23 N 4.77 1.92 0.08 3.99 0.00 -1.26 -2.59 105.19 112.10 1iru n GLY 23 Ca -0.01 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.55 1iru n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iru n SER 24 N 8.43 1.97 -4.67 1.61 7.64 -1.26 -4.98 113.62 122.36 1iru n SER 24 Ca 0.00 -1.86 -0.35 0.00 1.01 0.00 0.00 58.87 57.66 1iru n SER 24 Cb 0.00 -0.03 -0.09 0.00 -1.01 0.00 0.00 64.21 63.08 1iru n SER 24 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1iru s TYR 25 N -0.87 3.33 -0.58 1.43 5.04 -1.07 -5.05 117.35 119.58 1iru s TYR 25 Ca 0.03 0.20 -0.28 0.00 -2.44 0.00 0.00 57.07 54.58 1iru s TYR 25 Cb 0.02 -2.17 0.03 0.00 0.35 0.00 0.00 41.96 40.18 1iru s TYR 25 CO 0.02 0.16 1.17 0.42 -1.34 0.00 0.00 175.55 175.98 1iru s ILE 26 N 0.62 4.05 -0.66 3.14 1.01 -1.26 -1.44 121.20 126.65 1iru s ILE 26 Ca 0.06 0.86 0.26 0.00 0.00 0.00 0.00 60.65 61.83 1iru s ILE 26 Cb -0.12 -4.71 0.30 0.00 0.01 0.00 0.00 42.46 37.93 1iru s ILE 26 CO 0.01 -1.32 1.75 0.00 0.00 0.00 0.00 174.94 175.37 1iru h ALA 27 N 9.52 1.00 -1.89 9.38 0.00 -1.62 -3.43 119.26 132.23 1iru h ALA 27 Ca -0.25 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.72 1iru h ALA 27 Cb 1.06 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.64 1iru h ALA 27 CO 1.18 0.00 -0.18 1.21 0.00 0.00 0.00 179.25 181.45 1iru s ASN 28 N -4.84 -1.07 0.00 0.00 3.84 -1.14 -5.02 114.94 106.71 1iru s ASN 28 Ca 0.10 1.38 0.22 0.00 0.21 0.00 0.00 52.86 54.77 1iru s ASN 28 Cb 0.11 2.16 0.39 0.00 -0.55 0.00 0.00 41.25 43.36 1iru s ASN 28 CO 0.60 -0.23 1.36 -2.11 -2.79 0.00 0.00 177.10 173.93 1iru n ARG 29 N 5.44 2.43 -0.44 0.43 1.85 -1.26 -1.86 116.66 123.25 1iru n ARG 29 Ca -0.10 -2.21 0.05 0.00 -1.00 0.00 0.00 57.85 54.59 1iru n ARG 29 Cb 0.49 -1.49 0.07 0.00 -1.05 0.00 0.00 32.46 30.49 1iru n ARG 29 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1iru n VAL 30 N 1.41 0.93 -1.54 8.89 0.31 -1.13 -4.14 118.33 123.06 1iru n VAL 30 Ca 0.18 -1.27 -0.38 0.00 -0.01 0.00 0.00 64.34 62.87 1iru n VAL 30 Cb 0.59 0.20 0.05 0.00 -0.91 0.00 0.00 33.84 33.76 1iru n VAL 30 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1iru n THR 31 N -0.61 3.01 -3.59 2.52 -1.04 -0.09 -4.95 114.28 109.54 1iru n THR 31 Ca 0.08 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.19 1iru n THR 31 Cb 0.72 -0.92 -0.08 0.00 -1.82 0.00 0.00 70.33 68.23 1iru n THR 31 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1iru s ASP 32 N -1.22 5.70 0.00 8.00 -1.08 -1.26 -4.44 116.67 122.37 1iru s ASP 32 Ca 0.72 -2.38 0.14 0.00 -0.52 0.00 0.00 52.55 50.51 1iru s ASP 32 Cb -0.43 -1.98 0.51 0.00 -1.46 0.00 0.00 42.92 39.56 1iru s ASP 32 CO 0.50 -0.55 1.37 0.29 0.52 0.00 0.00 175.17 177.31 1iru n LYS 33 N 4.24 1.59 -3.80 4.34 5.02 -1.26 -4.66 118.16 123.63 1iru n LYS 33 Ca 0.02 -0.91 -0.37 0.00 -2.02 0.00 0.00 58.31 55.03 1iru n LYS 33 Cb 0.41 -1.28 -0.13 0.00 -0.02 0.00 0.00 35.03 34.01 1iru n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1iru s LEU 34 N -1.26 4.12 -0.16 -0.35 1.43 -1.26 -2.09 118.68 119.12 1iru s LEU 34 Ca 0.24 -1.13 -0.05 0.00 -1.03 0.00 0.00 54.13 52.16 1iru s LEU 34 Cb 0.13 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 1iru s LEU 34 CO 0.18 -0.29 0.03 -0.89 0.23 0.00 0.00 176.35 175.61 1iru s THR 35 N 1.37 4.47 -0.06 5.49 2.01 -0.53 -4.95 115.64 123.43 1iru s THR 35 Ca -0.02 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 1iru s THR 35 Cb -0.19 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 1iru s THR 35 CO 0.01 0.50 1.23 -2.84 -0.69 0.00 0.00 174.62 172.83 1iru s PRO 36 N 0.14 4.33 -0.20 4.92 0.02 -1.26 -1.80 135.00 141.15 1iru s PRO 36 Ca 0.03 1.70 0.14 0.00 0.02 0.00 0.00 61.00 62.88 1iru s PRO 36 Cb -0.13 -3.58 -0.23 0.00 0.02 0.00 0.00 34.50 30.58 1iru s PRO 36 CO 0.01 -0.49 0.06 -0.89 -0.33 0.00 0.00 177.00 175.36 1iru n ILE 37 N 4.71 1.44 -3.61 2.83 2.08 0.15 -4.97 119.36 121.99 1iru n ILE 37 Ca 0.11 -0.79 -0.08 0.00 0.56 0.00 0.00 62.75 62.56 1iru n ILE 37 Cb 0.46 -0.74 -0.02 0.00 -0.75 0.00 0.00 39.64 38.59 1iru n ILE 37 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1iru s HIS 38 N -2.51 -0.32 0.11 1.39 2.46 -0.97 -4.57 115.29 110.88 1iru s HIS 38 Ca -0.15 0.06 -0.02 0.00 0.47 0.00 0.00 55.06 55.42 1iru s HIS 38 Cb 0.07 0.60 0.21 0.00 -0.13 0.00 0.00 32.58 33.33 1iru s HIS 38 CO 0.78 -0.84 0.59 -0.25 -2.47 0.00 0.00 174.74 172.55 1iru n ASP 39 N -0.38 -0.11 -0.75 9.88 8.00 -1.26 -0.75 116.55 131.18 1iru n ASP 39 Ca -0.10 0.65 0.05 0.00 0.71 0.00 0.00 54.79 56.11 1iru n ASP 39 Cb 0.62 -0.21 0.11 0.00 -0.02 0.00 0.00 41.12 41.62 1iru n ASP 39 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1iru n ARG 40 N -4.53 0.85 -4.75 -1.24 1.74 -1.26 -4.81 116.66 102.66 1iru n ARG 40 Ca 0.07 -2.47 -0.25 0.00 -0.77 0.00 0.00 57.85 54.42 1iru n ARG 40 Cb 0.22 -0.97 -0.16 0.00 -1.02 0.00 0.00 32.46 30.53 1iru n ARG 40 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1iru s ILE 41 N -1.78 1.33 0.20 0.55 1.01 0.07 -1.50 121.20 121.07 1iru s ILE 41 Ca 0.30 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.35 1iru s ILE 41 Cb 0.31 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.57 1iru s ILE 41 CO -0.07 0.39 -0.03 -0.36 0.00 0.00 0.00 174.94 174.87 1iru s PHE 42 N 0.23 1.45 0.02 3.97 0.40 -0.47 -0.67 117.98 122.91 1iru s PHE 42 Ca -0.07 -0.88 0.00 0.00 -0.60 0.00 0.00 56.93 55.38 1iru s PHE 42 Cb -0.13 -0.81 -0.02 0.00 0.51 0.00 0.00 43.02 42.57 1iru s PHE 42 CO 0.03 -0.02 -0.03 0.00 0.70 0.00 0.00 175.22 175.90 1iru s ARG 45 N -1.12 2.22 0.02 0.00 0.52 -0.89 -2.47 118.95 117.22 1iru s ARG 45 Ca 0.15 -0.87 -0.05 0.00 -0.52 0.00 0.00 55.73 54.44 1iru s ARG 45 Cb -0.11 -2.12 -0.01 0.00 0.52 0.00 0.00 34.95 33.22 1iru s ARG 45 CO 0.05 0.57 0.08 -1.54 0.02 0.00 0.00 175.30 174.48 1iru s SER 46 N -0.63 0.12 0.00 0.23 1.04 -0.85 -4.93 113.70 108.68 1iru s SER 46 Ca 0.10 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1iru s SER 46 Cb -0.10 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1iru s SER 46 CO -0.01 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1iru n GLY 47 N 1.33 0.28 3.65 7.32 0.00 -1.26 -0.63 105.19 115.88 1iru n GLY 47 Ca -0.22 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 1iru n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iru s SER 48 N -4.00 6.55 0.16 1.61 0.15 0.69 -4.89 113.70 113.97 1iru s SER 48 Ca 0.00 1.90 -0.16 0.00 0.70 0.00 0.00 55.95 58.39 1iru s SER 48 Cb 0.00 -2.53 0.10 0.00 -1.71 0.00 0.00 66.02 61.88 1iru s SER 48 CO 0.00 -1.07 1.70 0.00 1.20 0.00 0.00 173.24 175.07 1iru h ALA 49 N 9.99 0.34 -0.95 5.45 0.00 -1.93 0.19 119.26 132.36 1iru h ALA 49 Ca -0.35 0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1iru h ALA 49 Cb 1.16 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 1iru h ALA 49 CO 0.98 -0.40 0.62 0.00 0.00 0.00 0.00 179.25 180.45 1iru h ALA 50 N 1.34 1.22 -0.05 0.00 0.00 -1.97 0.11 119.26 119.91 1iru h ALA 50 Ca 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1iru h ALA 50 Cb 0.27 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1iru h ALA 50 CO -0.32 0.55 -0.02 -0.44 0.00 0.00 0.00 179.25 179.02 1iru h ASP 51 N 1.25 0.12 -0.17 0.00 3.32 -1.59 -1.43 116.42 117.91 1iru h ASP 51 Ca 0.36 -0.41 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 1iru h ASP 51 Cb -0.09 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1iru h ASP 51 CO -0.09 0.50 -0.17 0.71 -1.72 0.00 0.00 179.24 178.47 1iru h THR 52 N -0.27 1.25 0.18 0.35 1.35 -0.41 0.14 112.91 115.50 1iru h THR 52 Ca 0.01 -1.15 -0.01 0.00 -0.55 0.00 0.00 66.41 64.71 1iru h THR 52 Cb 0.46 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1iru h THR 52 CO 0.01 0.38 -0.08 1.56 -0.25 0.00 0.00 175.52 177.13 1iru h GLN 53 N 0.52 -0.23 -0.77 4.72 4.20 -0.79 -1.19 115.11 121.58 1iru h GLN 53 Ca 0.09 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.89 1iru h GLN 53 Cb 0.59 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.35 1iru h GLN 53 CO 0.04 0.11 0.43 0.00 -0.67 0.00 0.00 178.83 178.74 1iru h ALA 54 N 0.14 1.07 -0.30 3.87 0.00 -1.09 -1.30 119.26 121.64 1iru h ALA 54 Ca -0.02 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1iru h ALA 54 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1iru h ALA 54 CO 0.04 0.07 -0.06 0.28 0.00 0.00 0.00 179.25 179.59 1iru h VAL 55 N 0.74 1.28 -0.56 0.00 2.07 -0.94 -2.55 116.25 116.29 1iru h VAL 55 Ca 0.36 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1iru h VAL 55 Cb 0.30 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1iru h VAL 55 CO -0.23 0.35 0.33 0.00 0.02 0.00 0.00 177.57 178.04 1iru h ALA 56 N 0.80 0.72 -0.96 1.67 0.00 -0.72 -0.02 119.26 120.75 1iru h ALA 56 Ca 0.08 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1iru h ALA 56 Cb 0.54 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1iru h ALA 56 CO 0.03 0.21 0.63 -0.44 0.00 0.00 0.00 179.25 179.68 1iru h ASP 57 N 0.76 1.08 -0.66 0.00 3.32 -1.22 -0.11 116.42 119.58 1iru h ASP 57 Ca 0.20 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1iru h ASP 57 Cb 0.00 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 1iru h ASP 57 CO -0.04 0.76 0.39 0.00 -1.72 0.00 0.00 179.24 178.63 1iru h ALA 58 N 1.37 0.85 -0.30 3.45 0.00 -0.89 -0.77 119.26 122.97 1iru h ALA 58 Ca 0.36 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 1iru h ALA 58 Cb -0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1iru h ALA 58 CO -0.10 0.34 -0.42 0.28 0.00 0.00 0.00 179.25 179.36 1iru h VAL 59 N 0.90 1.29 -0.84 0.00 2.07 -0.33 -0.97 116.25 118.37 1iru h VAL 59 Ca 0.24 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 1iru h VAL 59 Cb 0.00 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1iru h VAL 59 CO -0.04 0.52 0.50 0.74 0.02 0.00 0.00 177.57 179.30 1iru h THR 60 N 0.60 1.24 -0.02 2.57 2.02 -0.66 0.44 112.91 119.10 1iru h THR 60 Ca 0.05 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1iru h THR 60 Cb 0.97 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1iru h THR 60 CO 0.09 0.25 0.00 0.22 0.37 0.00 0.00 175.52 176.46 1iru h TYR 61 N 1.16 0.03 -0.31 3.16 3.20 -0.96 -0.07 116.97 123.18 1iru h TYR 61 Ca 0.30 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.19 1iru h TYR 61 Cb -0.03 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1iru h TYR 61 CO -0.00 0.28 0.14 1.96 -1.64 0.00 0.00 178.16 178.90 1iru h GLN 62 N -0.23 0.30 -0.33 1.82 4.20 -0.65 -2.85 115.11 117.36 1iru h GLN 62 Ca 0.00 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 1iru h GLN 62 Cb 0.27 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1iru h GLN 62 CO 0.00 0.20 -0.20 1.25 -0.67 0.00 0.00 178.83 179.40 1iru h LEU 63 N 0.30 0.75 -1.29 1.46 5.85 -0.09 -2.51 115.31 119.77 1iru h LEU 63 Ca 0.13 -0.43 0.09 0.00 0.84 0.00 0.00 57.88 58.52 1iru h LEU 63 Cb 0.06 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 1iru h LEU 63 CO -0.10 1.01 0.54 1.23 -0.34 0.00 0.00 178.44 180.78 1iru h GLY 64 N 0.48 1.12 0.95 3.75 0.00 -0.91 -1.75 103.07 106.71 1iru h GLY 64 Ca 0.07 -0.33 -0.17 0.00 0.00 0.00 0.00 47.33 46.90 1iru h GLY 64 CO 0.06 0.20 -0.59 -2.75 0.00 0.00 0.00 176.54 173.45 1iru h PHE 65 N 0.80 0.79 -0.55 5.60 3.57 -1.46 -2.98 116.94 122.70 1iru h PHE 65 Ca 0.38 -0.36 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1iru h PHE 65 Cb 0.40 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 1iru h PHE 65 CO -0.00 1.15 0.26 1.25 -2.23 0.00 0.00 178.31 178.74 1iru h HIS 66 N 0.20 0.47 -0.35 0.41 2.76 -0.94 -1.42 115.15 116.27 1iru h HIS 66 Ca -0.05 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.01 1iru h HIS 66 Cb 1.24 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 30.06 1iru h HIS 66 CO 0.11 0.20 -0.32 0.77 -1.30 0.00 0.00 177.93 177.39 1iru h SER 67 N 0.49 0.89 -0.59 3.26 0.02 -1.39 -1.93 113.55 114.29 1iru h SER 67 Ca 0.26 -0.46 -0.08 0.00 -0.84 0.00 0.00 61.79 60.66 1iru h SER 67 Cb 0.21 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1iru h SER 67 CO -0.20 1.16 0.04 0.40 -1.14 0.00 0.00 176.83 177.09 1iru h ILE 68 N 0.62 1.26 -0.16 3.27 2.04 -1.44 1.54 117.51 124.65 1iru h ILE 68 Ca 0.06 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 1iru h ILE 68 Cb 0.90 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1iru h ILE 68 CO 0.08 0.39 -0.02 -0.08 0.00 0.00 0.00 178.15 178.53 1iru h GLU 69 N 0.92 0.23 0.00 2.37 4.81 -1.18 -2.37 114.58 119.36 1iru h GLU 69 Ca 0.17 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1iru h GLU 69 Cb 0.50 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1iru h GLU 69 CO 0.02 0.27 -1.51 1.28 -0.73 0.00 0.00 179.01 178.35 1iru n LEU 70 N -4.38 0.48 -3.47 1.64 4.77 -0.73 -5.00 117.00 110.31 1iru n LEU 70 Ca -0.01 -0.23 -0.21 0.00 -0.03 0.00 0.00 56.01 55.54 1iru n LEU 70 Cb 0.18 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1iru n LEU 70 CO 0.36 0.12 0.02 -3.20 -1.33 0.00 0.00 177.39 173.35 1iru n ASN 71 N -1.90 -6.09 -3.51 -1.43 2.85 0.52 -4.99 115.26 100.70 1iru n ASN 71 Ca -0.00 -0.76 -0.10 0.00 -0.11 0.00 0.00 54.58 53.60 1iru n ASN 71 Cb 0.46 -4.04 -0.03 0.00 1.24 0.00 0.00 39.78 37.40 1iru n ASN 71 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1iru s GLU 72 N -4.93 0.85 0.16 1.20 2.12 -0.84 -5.03 118.70 112.23 1iru s GLU 72 Ca 0.34 -0.15 -0.30 0.00 0.36 0.00 0.00 54.97 55.22 1iru s GLU 72 Cb -0.10 0.39 -0.08 0.00 0.26 0.00 0.00 34.13 34.61 1iru s GLU 72 CO 0.81 -0.34 1.31 -2.14 -0.54 0.00 0.00 175.26 174.36 1iru s PRO 73 N -2.49 4.39 0.50 4.30 0.02 -1.26 -4.65 135.00 135.81 1iru s PRO 73 Ca 0.01 2.02 -0.20 0.00 0.02 0.00 0.00 61.00 62.85 1iru s PRO 73 Cb -0.01 -3.22 -0.07 0.00 0.02 0.00 0.00 34.50 31.21 1iru s PRO 73 CO -0.05 -0.28 1.08 -1.25 -0.33 0.00 0.00 177.00 176.17 1iru s PRO 74 N 0.27 3.64 0.50 5.54 0.04 -1.26 -4.96 135.00 138.77 1iru s PRO 74 Ca 0.58 1.48 -0.20 0.00 0.04 0.00 0.00 61.00 62.90 1iru s PRO 74 Cb -0.36 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.02 1iru s PRO 74 CO 0.35 -0.59 1.05 -0.51 0.04 0.00 0.00 177.00 177.35 1iru s LEU 75 N -3.57 3.83 0.22 -3.56 1.43 -1.26 -4.88 118.68 110.90 1iru s LEU 75 Ca 0.69 1.97 0.01 0.00 -1.03 0.00 0.00 54.13 55.77 1iru s LEU 75 Cb -0.20 -4.56 0.20 0.00 0.03 0.00 0.00 46.19 41.66 1iru s LEU 75 CO 0.23 -0.85 1.54 0.58 0.23 0.00 0.00 176.35 178.08 1iru h VAL 76 N 1.49 1.36 -0.24 -1.59 2.07 -1.94 -2.63 116.25 114.77 1iru h VAL 76 Ca -0.50 -1.90 -0.06 0.00 0.82 0.00 0.00 66.70 65.07 1iru h VAL 76 Cb 1.23 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1iru h VAL 76 CO 0.59 0.57 -0.10 -0.74 0.02 0.00 0.00 177.57 177.91 1iru h HIS 77 N 0.27 0.40 0.08 1.57 6.17 -1.98 -1.43 115.15 120.23 1iru h HIS 77 Ca -0.00 -0.05 -0.00 0.00 0.71 0.00 0.00 60.37 61.03 1iru h HIS 77 Cb 1.10 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.91 1iru h HIS 77 CO 0.03 0.48 -0.04 1.15 0.71 0.00 0.00 177.93 180.26 1iru h THR 78 N 0.36 1.12 -0.95 6.26 2.02 -1.86 -0.70 112.91 119.15 1iru h THR 78 Ca 0.07 -0.74 0.13 0.00 0.77 0.00 0.00 66.41 66.64 1iru h THR 78 Cb 0.41 1.59 -0.08 0.00 -1.74 0.00 0.00 68.15 68.33 1iru h THR 78 CO 0.02 0.18 0.61 0.00 0.37 0.00 0.00 175.52 176.70 1iru h ALA 79 N 0.43 1.66 -0.29 6.16 0.00 -1.19 0.31 119.26 126.33 1iru h ALA 79 Ca -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1iru h ALA 79 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1iru h ALA 79 CO 0.02 0.09 0.08 0.00 0.00 0.00 0.00 179.25 179.44 1iru h ALA 80 N 1.57 0.39 -0.89 0.00 0.00 -1.05 -2.93 119.26 116.35 1iru h ALA 80 Ca 0.48 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.32 1iru h ALA 80 Cb 0.60 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1iru h ALA 80 CO -0.25 0.04 0.54 0.77 0.00 0.00 0.00 179.25 180.35 1iru h SER 81 N 0.31 0.79 0.36 0.00 0.02 0.59 0.37 113.55 115.99 1iru h SER 81 Ca 0.09 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1iru h SER 81 Cb 0.27 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1iru h SER 81 CO -0.00 0.45 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.81 1iru h LEU 82 N 0.90 0.00 0.06 5.07 3.38 -1.14 0.35 115.31 123.93 1iru h LEU 82 Ca 0.42 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.30 1iru h LEU 82 Cb 0.36 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1iru h LEU 82 CO -0.24 0.26 -0.41 -0.26 0.09 0.00 0.00 178.44 177.89 1iru h PHE 83 N 0.00 0.29 -1.00 1.13 -1.00 -1.14 -3.13 116.94 112.10 1iru h PHE 83 Ca -0.00 -0.20 0.05 0.00 2.81 0.00 0.00 57.97 60.63 1iru h PHE 83 Cb 0.51 -0.02 -0.06 0.00 3.61 0.00 0.00 35.95 39.99 1iru h PHE 83 CO 0.00 1.12 0.65 -0.22 -1.61 0.00 0.00 178.31 178.25 1iru h LYS 84 N -0.62 1.18 -0.11 1.51 3.11 -0.56 0.35 116.57 121.44 1iru h LYS 84 Ca -0.07 -0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 57.70 1iru h LYS 84 Cb 1.28 -0.27 -0.00 0.00 -1.00 0.00 0.00 32.23 32.24 1iru h LYS 84 CO 0.08 0.78 0.06 0.93 -2.81 0.00 0.00 179.45 178.48 1iru h GLU 85 N 1.21 0.15 -0.37 1.90 4.39 -0.39 0.12 114.58 121.59 1iru h GLU 85 Ca 0.42 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.95 1iru h GLU 85 Cb 0.09 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1iru h GLU 85 CO -0.15 0.18 -0.35 0.52 -1.16 0.00 0.00 179.01 178.06 1iru h MET 86 N 0.07 0.85 0.00 2.33 2.86 -1.37 -1.02 114.93 118.65 1iru h MET 86 Ca 0.04 -0.42 -0.06 0.00 -2.06 0.00 0.00 59.70 57.20 1iru h MET 86 Cb 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1iru h MET 86 CO -0.01 1.06 -0.29 0.00 1.06 0.00 0.00 176.91 178.73 1iru h TYR 88 N 0.00 0.08 -0.73 0.00 3.20 -0.71 -2.76 116.97 116.05 1iru h TYR 88 Ca -0.00 -0.06 0.08 0.00 3.14 0.00 0.00 58.73 61.89 1iru h TYR 88 Cb 0.90 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.10 1iru h TYR 88 CO 0.00 1.26 0.40 -0.09 -1.64 0.00 0.00 178.16 178.08 1iru h ARG 89 N -0.89 0.67 -0.52 1.82 2.43 -1.20 -2.67 114.38 114.02 1iru h ARG 89 Ca -0.17 -0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 58.69 1iru h ARG 89 Cb 1.23 -0.15 -0.16 0.00 -0.42 0.00 0.00 29.97 30.47 1iru h ARG 89 CO -0.06 0.45 0.10 0.66 -1.51 0.00 0.00 179.97 179.60 1iru n TYR 90 N -4.79 1.60 -0.05 2.20 4.02 -0.56 -4.73 117.16 114.84 1iru n TYR 90 Ca 0.11 -1.68 0.23 0.00 -0.01 0.00 0.00 57.90 56.55 1iru n TYR 90 Cb 0.23 -0.61 0.71 0.00 -0.02 0.00 0.00 39.34 39.65 1iru n TYR 90 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1iru h ARG 91 N 1.00 0.00 0.00 -0.72 0.11 -1.16 0.82 114.38 114.43 1iru h ARG 91 Ca 0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.41 1iru h ARG 91 Cb 1.97 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.05 1iru h ARG 91 CO 0.58 0.00 0.00 0.93 0.10 0.00 0.00 179.97 181.58 1iru h GLU 92 N 0.00 0.00 -0.08 0.08 4.39 -1.85 -3.30 114.58 113.82 1iru h GLU 92 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1iru h GLU 92 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1iru h GLU 92 CO -0.00 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.60 1iru n ASP 93 N -2.46 2.01 -4.33 1.42 8.00 0.21 -5.02 116.55 116.38 1iru n ASP 93 Ca 0.05 -1.78 -0.22 0.00 0.71 0.00 0.00 54.79 53.55 1iru n ASP 93 Cb 0.43 -0.05 -0.11 0.00 -0.02 0.00 0.00 41.12 41.37 1iru n ASP 93 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1iru s LEU 94 N -0.81 2.42 -0.49 0.64 1.43 -0.79 -5.07 118.68 116.01 1iru s LEU 94 Ca 0.06 -0.84 0.04 0.00 -1.03 0.00 0.00 54.13 52.36 1iru s LEU 94 Cb 0.03 -0.85 0.16 0.00 0.03 0.00 0.00 46.19 45.57 1iru s LEU 94 CO 0.04 -0.02 0.36 -0.04 0.23 0.00 0.00 176.35 176.93 1iru s MET 95 N -2.68 1.35 -0.07 1.70 -1.94 -1.26 -4.88 119.30 111.52 1iru s MET 95 Ca 0.15 -2.39 0.02 0.00 -1.71 0.00 0.00 55.69 51.75 1iru s MET 95 Cb -0.06 -2.06 0.02 0.00 2.01 0.00 0.00 34.83 34.73 1iru s MET 95 CO 0.06 -1.33 -0.10 0.00 -0.01 0.00 0.00 175.02 173.65 1iru s ALA 96 N -0.27 1.14 -0.35 3.03 0.00 -1.26 -0.23 121.76 123.82 1iru s ALA 96 Ca 0.28 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.89 1iru s ALA 96 Cb -0.03 -0.59 0.09 0.00 0.00 0.00 0.00 23.12 22.59 1iru s ALA 96 CO -0.16 -0.00 0.08 0.20 0.00 0.00 0.00 175.76 175.89 1iru s GLY 97 N 0.89 1.90 0.07 0.00 0.00 0.20 -3.52 107.32 106.87 1iru s GLY 97 Ca -0.11 -2.35 0.07 0.00 0.00 0.00 0.00 44.72 42.33 1iru s GLY 97 CO 0.01 0.90 -0.13 -0.42 0.00 0.00 0.00 173.10 173.46 1iru s ILE 98 N 1.06 3.14 -0.08 0.90 -1.09 -0.60 -2.01 121.20 122.52 1iru s ILE 98 Ca 0.06 -1.23 0.02 0.00 -2.23 0.00 0.00 60.65 57.27 1iru s ILE 98 Cb -0.21 -2.41 0.01 0.00 -1.58 0.00 0.00 42.46 38.28 1iru s ILE 98 CO -0.05 0.21 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.11 1iru s ILE 99 N -1.09 1.20 -0.18 2.92 1.01 -1.03 -0.53 121.20 123.51 1iru s ILE 99 Ca 0.18 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 1iru s ILE 99 Cb -0.11 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.26 1iru s ILE 99 CO 0.10 0.37 -0.13 -0.63 0.00 0.00 0.00 174.94 174.65 1iru s ILE 100 N 0.79 2.73 0.03 2.92 1.09 0.61 -0.52 121.20 128.86 1iru s ILE 100 Ca -0.12 -0.73 0.02 0.00 -1.10 0.00 0.00 60.65 58.72 1iru s ILE 100 Cb -0.15 -2.18 -0.02 0.00 -1.06 0.00 0.00 42.46 39.05 1iru s ILE 100 CO 0.02 0.50 -0.07 0.00 -0.10 0.00 0.00 174.94 175.29 1iru s ALA 101 N 1.07 0.55 0.00 9.38 0.00 -0.74 0.60 121.76 132.62 1iru s ALA 101 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1iru s ALA 101 Cb -0.14 0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1iru s ALA 101 CO -0.04 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1iru n GLY 102 N 1.75 -1.34 3.57 0.00 0.00 -0.79 -1.37 105.19 107.01 1iru n GLY 102 Ca -0.21 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 1iru n GLY 102 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1iru s TRP 103 N -2.25 2.88 -0.13 1.61 -0.00 -0.56 -1.74 118.94 118.75 1iru s TRP 103 Ca 0.00 -0.03 0.01 0.00 -0.00 0.00 0.00 56.10 56.08 1iru s TRP 103 Cb 0.00 -1.66 0.02 0.00 -0.00 0.00 0.00 33.47 31.83 1iru s TRP 103 CO 0.00 0.33 -0.13 0.34 -0.00 0.00 0.00 176.95 177.48 1iru s ASP 104 N -1.01 2.51 0.66 5.86 -1.08 0.27 -4.77 116.67 119.12 1iru s ASP 104 Ca 0.14 -0.43 0.38 0.00 -0.52 0.00 0.00 52.55 52.12 1iru s ASP 104 Cb -0.11 -1.09 2.11 0.00 -1.46 0.00 0.00 42.92 42.37 1iru s ASP 104 CO 0.03 -0.05 2.22 -0.65 0.52 0.00 0.00 175.17 177.24 1iru h PRO 105 N 7.90 0.00 0.00 4.34 0.11 -1.89 1.09 132.00 143.54 1iru h PRO 105 Ca -0.35 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.43 1iru h PRO 105 Cb 1.14 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 1iru h PRO 105 CO 0.50 0.00 -2.25 0.94 -0.21 0.00 0.00 178.00 176.97 1iru n GLN 106 N -3.14 0.68 0.00 1.05 7.27 -1.26 -4.60 117.38 117.38 1iru n GLN 106 Ca -0.02 0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1iru n GLN 106 Cb 0.18 -1.56 0.00 0.00 2.41 0.00 0.00 30.24 31.27 1iru n GLN 106 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1iru n GLU 107 N -2.75 2.80 0.00 3.69 -0.58 -0.98 -5.11 120.64 117.70 1iru n GLU 107 Ca -0.28 -0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.27 1iru n GLU 107 Cb 1.10 -0.64 0.00 0.00 -0.57 0.00 0.00 31.44 31.32 1iru n GLU 107 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iru n GLY 108 N 0.45 0.52 3.74 0.62 0.00 0.37 -4.80 105.19 106.10 1iru n GLY 108 Ca 0.00 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 1iru n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iru s GLY 109 N -0.05 2.73 0.01 -0.02 0.00 -1.26 0.98 107.32 109.71 1iru s GLY 109 Ca 0.00 0.22 -0.15 0.00 0.00 0.00 0.00 44.72 44.80 1iru s GLY 109 CO 0.00 1.10 0.31 -0.86 0.00 0.00 0.00 173.10 173.65 1iru s GLN 110 N 0.20 0.73 -0.06 2.90 -2.07 -0.71 -4.90 119.66 115.75 1iru s GLN 110 Ca 0.38 -0.31 0.00 0.00 -1.82 0.00 0.00 55.36 53.61 1iru s GLN 110 Cb -0.19 0.32 0.02 0.00 -1.09 0.00 0.00 33.01 32.07 1iru s GLN 110 CO 0.21 -0.22 -0.04 0.08 -1.32 0.00 0.00 175.29 174.01 1iru s VAL 111 N -1.81 0.57 0.03 3.63 1.01 -1.26 -1.89 120.40 120.68 1iru s VAL 111 Ca -0.10 -0.08 0.09 0.00 0.00 0.00 0.00 61.98 61.89 1iru s VAL 111 Cb -0.03 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1iru s VAL 111 CO 0.01 0.26 -0.26 -0.31 0.00 0.00 0.00 175.10 174.80 1iru s TYR 112 N 1.34 2.31 -0.11 5.22 1.51 0.20 -1.14 117.35 126.68 1iru s TYR 112 Ca -0.04 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.59 1iru s TYR 112 Cb -0.13 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 1iru s TYR 112 CO -0.02 0.07 -0.05 -1.12 -1.11 0.00 0.00 175.55 173.32 1iru s SER 113 N -1.04 4.74 -0.48 2.29 0.01 0.38 -0.28 113.70 119.31 1iru s SER 113 Ca 0.11 -0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.34 1iru s SER 113 Cb -0.10 -1.48 0.16 0.00 0.21 0.00 0.00 66.02 64.81 1iru s SER 113 CO 0.01 0.27 0.35 -0.69 0.41 0.00 0.00 173.24 173.59 1iru s VAL 114 N -0.27 1.06 0.97 3.43 1.01 0.31 -1.51 120.40 125.40 1iru s VAL 114 Ca 0.04 -2.92 -0.16 0.00 0.00 0.00 0.00 61.98 58.94 1iru s VAL 114 Cb -0.13 -1.73 0.23 0.00 0.00 0.00 0.00 36.38 34.76 1iru s VAL 114 CO 0.02 -1.11 1.04 -0.81 0.00 0.00 0.00 175.10 174.25 1iru n PRO 115 N 2.86 -2.08 -0.28 2.72 -0.04 -1.25 -1.56 135.00 135.38 1iru n PRO 115 Ca 0.23 -1.64 -0.07 0.00 -0.04 0.00 0.00 63.50 61.98 1iru n PRO 115 Cb 0.42 -1.32 -0.07 0.00 -0.04 0.00 0.00 33.50 32.50 1iru n PRO 115 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1iru n MET 116 N -3.97 -0.29 -0.27 0.54 2.81 -1.23 -1.41 117.12 113.30 1iru n MET 116 Ca 0.14 1.08 0.28 0.00 -1.81 0.00 0.00 57.70 57.38 1iru n MET 116 Cb 0.51 -1.59 0.65 0.00 -0.71 0.00 0.00 33.22 32.08 1iru n MET 116 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1iru h GLY 117 N 0.00 0.45 0.00 3.03 0.00 -1.91 -3.45 103.07 101.19 1iru h GLY 117 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1iru h GLY 117 CO -0.62 -0.04 0.00 0.61 0.00 0.00 0.00 176.54 176.49 1iru n GLY 118 N -1.64 0.92 3.78 4.60 0.00 -0.50 -4.56 105.19 107.79 1iru n GLY 118 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1iru n GLY 118 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1iru s MET 119 N -0.41 2.15 -0.02 1.61 0.23 -1.26 -4.38 119.30 117.22 1iru s MET 119 Ca 0.00 0.89 0.01 0.00 -1.03 0.00 0.00 55.69 55.56 1iru s MET 119 Cb 0.00 -1.91 0.02 0.00 -1.53 0.00 0.00 34.83 31.41 1iru s MET 119 CO 0.00 -1.64 -0.01 1.41 -2.03 0.00 0.00 175.02 172.75 1iru s MET 120 N -5.02 0.32 -0.08 3.16 1.75 -1.26 -3.81 119.30 114.37 1iru s MET 120 Ca 0.61 0.02 -0.09 0.00 -1.25 0.00 0.00 55.69 54.98 1iru s MET 120 Cb -0.16 -0.44 0.02 0.00 2.84 0.00 0.00 34.83 37.09 1iru s MET 120 CO 0.55 -0.08 0.23 0.54 -0.65 0.00 0.00 175.02 175.62 1iru s VAL 121 N 0.74 0.01 0.08 10.11 0.11 -0.57 -4.98 120.40 125.90 1iru s VAL 121 Ca -0.08 -0.10 -0.18 0.00 -2.93 0.00 0.00 61.98 58.70 1iru s VAL 121 Cb -0.11 -0.36 -0.07 0.00 -1.53 0.00 0.00 36.38 34.31 1iru s VAL 121 CO -0.01 -0.05 0.55 -0.60 -3.33 0.00 0.00 175.10 171.65 1iru s ARG 122 N -0.12 4.11 0.05 1.54 3.52 -1.26 -0.47 118.95 126.32 1iru s ARG 122 Ca -0.02 0.64 -0.05 0.00 -0.13 0.00 0.00 55.73 56.17 1iru s ARG 122 Cb -0.02 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.19 1iru s ARG 122 CO 0.01 0.60 0.07 -0.65 -0.81 0.00 0.00 175.30 174.53 1iru s GLN 123 N -1.33 0.64 0.16 5.12 -0.21 -0.29 -4.96 119.66 118.78 1iru s GLN 123 Ca 0.31 -0.92 -0.15 0.00 0.02 0.00 0.00 55.36 54.62 1iru s GLN 123 Cb -0.18 0.24 0.03 0.00 1.00 0.00 0.00 33.01 34.11 1iru s GLN 123 CO 0.18 -0.16 1.77 0.77 -2.12 0.00 0.00 175.29 175.73 1iru h SER 124 N 3.36 0.59 -4.66 5.90 0.02 -1.95 -3.36 113.55 113.46 1iru h SER 124 Ca -0.33 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.42 1iru h SER 124 Cb 1.18 -0.15 -0.21 0.00 0.14 0.00 0.00 62.40 63.36 1iru h SER 124 CO 0.56 0.51 -0.18 0.72 -1.14 0.00 0.00 176.83 177.30 1iru s PHE 125 N -5.86 -0.35 0.11 3.45 -0.12 -1.26 -0.87 117.98 113.07 1iru s PHE 125 Ca -0.13 0.68 0.06 0.00 -0.05 0.00 0.00 56.93 57.49 1iru s PHE 125 Cb 0.11 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 1iru s PHE 125 CO 0.75 -0.38 -0.14 0.00 -0.05 0.00 0.00 175.22 175.40 1iru s ALA 126 N -0.83 1.41 0.01 1.99 0.00 0.60 -4.97 121.76 119.97 1iru s ALA 126 Ca -0.09 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.68 1iru s ALA 126 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1iru s ALA 126 CO 0.04 0.13 -0.07 0.96 0.00 0.00 0.00 175.76 176.82 1iru s ILE 127 N -1.86 0.51 0.32 0.00 -4.36 -1.26 -0.88 121.20 113.67 1iru s ILE 127 Ca 0.06 -0.46 -0.02 0.00 -0.26 0.00 0.00 60.65 59.97 1iru s ILE 127 Cb -0.06 -0.47 -0.01 0.00 1.25 0.00 0.00 42.46 43.17 1iru s ILE 127 CO 0.03 0.02 0.42 -0.83 0.24 0.00 0.00 174.94 174.81 1iru s GLY 128 N -0.48 1.55 0.00 6.27 0.00 -0.35 -4.98 107.32 109.32 1iru s GLY 128 Ca -0.00 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.15 1iru s GLY 128 CO -0.00 -1.08 0.00 0.61 0.00 0.00 0.00 173.10 172.63 1iru n GLY 129 N -0.54 -0.65 0.33 0.20 0.00 -1.26 -1.54 105.19 101.72 1iru n GLY 129 Ca 0.02 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.36 1iru n GLY 129 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iru h SER 130 N 0.00 -1.04 0.11 1.61 4.64 -1.79 -0.98 113.55 116.10 1iru h SER 130 Ca 0.00 0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1iru h SER 130 Cb 0.00 0.55 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1iru h SER 130 CO 0.00 -0.29 -0.01 1.23 -0.87 0.00 0.00 176.83 176.90 1iru h GLY 131 N -0.12 0.00 0.66 -0.77 0.00 -1.12 -3.08 103.07 98.65 1iru h GLY 131 Ca 0.26 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.77 1iru h GLY 131 CO -0.70 0.00 0.49 1.48 0.00 0.00 0.00 176.54 177.81 1iru h SER 132 N 0.00 0.21 -0.01 0.19 4.64 -1.31 -1.61 113.55 115.65 1iru h SER 132 Ca -0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1iru h SER 132 Cb 0.06 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1iru h SER 132 CO 0.00 0.10 0.01 0.28 -0.87 0.00 0.00 176.83 176.35 1iru h SER 133 N 0.22 0.00 0.71 4.97 0.02 -1.72 -1.89 113.55 115.87 1iru h SER 133 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1iru h SER 133 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1iru h SER 133 CO -0.07 0.00 -0.15 -1.22 -1.14 0.00 0.00 176.83 174.25 1iru n TYR 134 N -4.38 0.00 -1.15 3.45 4.02 -0.61 -3.94 117.16 114.56 1iru n TYR 134 Ca -0.03 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.95 1iru n TYR 134 Cb 0.10 -0.36 0.18 0.00 -0.02 0.00 0.00 39.34 39.24 1iru n TYR 134 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 1iru n ILE 135 N -1.37 2.05 0.20 -0.72 -5.35 -0.71 -4.74 119.36 108.72 1iru n ILE 135 Ca 0.09 -2.35 -0.09 0.00 -0.27 0.00 0.00 62.75 60.13 1iru n ILE 135 Cb 0.32 -0.25 -0.04 0.00 -1.74 0.00 0.00 39.64 37.93 1iru n ILE 135 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1iru h TYR 136 N 0.55 -0.52 -0.72 4.28 -1.99 -1.68 -1.71 116.97 115.19 1iru h TYR 136 Ca 0.01 -0.01 0.16 0.00 2.00 0.00 0.00 58.73 60.89 1iru h TYR 136 Cb 1.13 0.17 -0.11 0.00 2.00 0.00 0.00 36.73 39.92 1iru h TYR 136 CO 0.26 -0.32 0.11 0.78 -0.00 0.00 0.00 178.16 178.99 1iru h GLY 137 N -1.07 0.92 0.12 3.88 0.00 -1.87 0.32 103.07 105.37 1iru h GLY 137 Ca -0.06 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 1iru h GLY 137 CO 0.09 -0.22 -0.16 -1.82 0.00 0.00 0.00 176.54 174.44 1iru h TYR 138 N 0.20 -0.44 -1.01 5.60 3.20 -1.85 -1.30 116.97 121.38 1iru h TYR 138 Ca 0.40 0.01 0.27 0.00 3.14 0.00 0.00 58.73 62.54 1iru h TYR 138 Cb 0.68 0.18 -0.07 0.00 1.54 0.00 0.00 36.73 39.06 1iru h TYR 138 CO -0.31 -0.20 0.68 0.28 -1.64 0.00 0.00 178.16 176.97 1iru h VAL 139 N -0.29 0.54 -0.02 1.81 2.07 -0.61 0.46 116.25 120.21 1iru h VAL 139 Ca -0.01 -0.08 -0.18 0.00 0.82 0.00 0.00 66.70 67.25 1iru h VAL 139 Cb 0.26 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1iru h VAL 139 CO -0.04 0.04 -0.77 0.44 0.02 0.00 0.00 177.57 177.26 1iru h ASP 140 N 0.24 0.24 0.63 0.57 3.32 0.08 -1.63 116.42 119.87 1iru h ASP 140 Ca 0.53 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1iru h ASP 140 Cb 1.62 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.10 1iru h ASP 140 CO -0.16 0.92 -0.61 0.00 -1.72 0.00 0.00 179.24 177.67 1iru n ALA 141 N -2.46 3.28 -0.10 3.45 0.00 -0.12 -4.35 120.51 120.22 1iru n ALA 141 Ca -0.03 -0.32 -0.13 0.00 0.00 0.00 0.00 53.44 52.96 1iru n ALA 141 Cb 0.74 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.96 1iru n ALA 141 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1iru n THR 142 N -1.79 1.17 -1.61 0.00 -1.04 -0.04 -4.98 114.28 106.00 1iru n THR 142 Ca 0.04 -0.48 -0.50 0.00 -2.04 0.00 0.00 64.05 61.06 1iru n THR 142 Cb 0.39 -1.14 -0.05 0.00 -1.82 0.00 0.00 70.33 67.71 1iru n THR 142 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iru n TYR 143 N -3.03 1.70 -4.91 -1.42 9.36 -0.62 -4.97 117.16 113.27 1iru n TYR 143 Ca -0.35 0.55 -0.26 0.00 3.32 0.00 0.00 57.90 61.16 1iru n TYR 143 Cb 0.91 -2.38 -0.16 0.00 -0.63 0.00 0.00 39.34 37.08 1iru n TYR 143 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 1iru s ARG 144 N 0.57 1.70 0.08 2.98 3.52 -1.26 -5.01 118.95 121.53 1iru s ARG 144 Ca 0.83 -0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 55.46 1iru s ARG 144 Cb -0.89 -1.56 -0.05 0.00 -1.56 0.00 0.00 34.95 30.89 1iru s ARG 144 CO 0.45 0.34 0.97 -2.00 -0.81 0.00 0.00 175.30 174.25 1iru s GLU 145 N -0.24 4.66 0.00 5.12 2.12 -1.26 -3.68 118.70 125.42 1iru s GLU 145 Ca 0.02 1.44 0.00 0.00 0.36 0.00 0.00 54.97 56.80 1iru s GLU 145 Cb -0.09 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.90 1iru s GLU 145 CO 0.01 0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 1iru n GLY 146 N 2.43 0.99 3.77 -1.50 0.00 -1.26 -5.09 105.19 104.53 1iru n GLY 146 Ca 0.03 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1iru n GLY 146 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iru s MET 147 N -0.37 1.95 0.24 1.61 -1.94 -1.24 -5.05 119.30 114.50 1iru s MET 147 Ca 0.00 0.85 0.06 0.00 -1.71 0.00 0.00 55.69 54.89 1iru s MET 147 Cb 0.00 -1.89 -0.03 0.00 2.01 0.00 0.00 34.83 34.92 1iru s MET 147 CO 0.00 -1.77 0.32 0.95 -0.01 0.00 0.00 175.02 174.51 1iru s THR 148 N -3.01 5.03 0.16 2.05 -4.23 -1.26 -4.62 115.64 109.76 1iru s THR 148 Ca 0.61 -1.09 0.12 0.00 -1.18 0.00 0.00 61.69 60.15 1iru s THR 148 Cb -0.16 -3.74 0.12 0.00 1.34 0.00 0.00 72.50 70.06 1iru s THR 148 CO 0.56 -0.33 1.24 0.50 -0.54 0.00 0.00 174.62 176.04 1iru h LYS 149 N 1.24 0.00 0.00 3.99 3.64 -1.96 0.38 116.57 123.86 1iru h LYS 149 Ca -0.51 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 58.56 1iru h LYS 149 Cb 1.23 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.01 1iru h LYS 149 CO 0.61 0.00 -1.81 0.39 -2.27 0.00 0.00 179.45 176.37 1iru n GLU 150 N -2.08 0.57 -0.03 1.90 -0.58 -1.26 -2.91 120.64 116.24 1iru n GLU 150 Ca -0.01 0.40 -0.09 0.00 -0.42 0.00 0.00 57.16 57.05 1iru n GLU 150 Cb 0.43 -1.60 -0.03 0.00 -0.57 0.00 0.00 31.44 29.67 1iru n GLU 150 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1iru h GLU 151 N -1.00 -0.02 0.44 3.49 5.08 -1.19 -1.03 114.58 120.34 1iru h GLU 151 Ca -0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 1iru h GLU 151 Cb 1.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 1iru h GLU 151 CO -0.29 -0.01 -0.39 0.00 -1.00 0.00 0.00 179.01 177.32 1iru h LEU 153 N -0.84 0.00 0.05 0.00 5.85 -1.37 0.27 115.31 119.28 1iru h LEU 153 Ca -0.04 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.35 1iru h LEU 153 Cb 0.73 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1iru h LEU 153 CO -0.04 0.00 -1.91 1.67 -0.34 0.00 0.00 178.44 177.82 1iru n GLN 154 N -3.61 0.69 -0.31 1.25 -0.06 -0.41 -3.50 117.38 111.42 1iru n GLN 154 Ca 0.09 0.26 -0.05 0.00 -2.00 0.00 0.00 57.00 55.30 1iru n GLN 154 Cb 0.72 -1.73 0.08 0.00 -4.06 0.00 0.00 30.24 25.25 1iru n GLN 154 CO 0.00 0.00 0.00 0.35 -0.20 0.00 0.00 177.06 177.21 1iru h PHE 155 N 0.03 1.16 -0.00 3.69 3.57 0.34 -1.66 116.94 124.07 1iru h PHE 155 Ca -0.37 -0.03 -0.19 0.00 3.53 0.00 0.00 57.97 60.90 1iru h PHE 155 Cb 2.03 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 40.39 1iru h PHE 155 CO 0.03 0.81 -0.85 1.79 -2.23 0.00 0.00 178.31 177.87 1iru h THR 156 N 1.17 1.50 -0.67 4.41 1.35 -1.33 -2.52 112.91 116.83 1iru h THR 156 Ca 0.29 -2.61 0.01 0.00 -0.55 0.00 0.00 66.41 63.55 1iru h THR 156 Cb 0.04 2.45 -0.03 0.00 -1.73 0.00 0.00 68.15 68.88 1iru h THR 156 CO -0.05 0.76 0.44 0.00 -0.25 0.00 0.00 175.52 176.43 1iru h ALA 157 N 1.02 1.53 -0.02 6.62 0.00 -1.45 0.30 119.26 127.27 1iru h ALA 157 Ca -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1iru h ALA 157 Cb 1.47 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1iru h ALA 157 CO 0.13 0.43 -0.08 -0.91 0.00 0.00 0.00 179.25 178.82 1iru h ASN 158 N 0.90 0.10 -0.40 0.00 2.35 -1.24 -1.46 115.58 115.83 1iru h ASN 158 Ca 0.25 -0.66 0.05 0.00 -0.55 0.00 0.00 56.30 55.39 1iru h ASN 158 Cb -0.09 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 1iru h ASN 158 CO -0.06 0.74 0.14 0.00 -1.65 0.00 0.00 177.43 176.61 1iru h ALA 159 N 0.36 0.47 -0.31 -0.83 0.00 -1.08 0.17 119.26 118.04 1iru h ALA 159 Ca -0.00 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1iru h ALA 159 Cb 0.73 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1iru h ALA 159 CO 0.02 -0.24 -0.17 -0.07 0.00 0.00 0.00 179.25 178.78 1iru h LEU 160 N 0.31 0.55 -0.07 0.00 3.38 -0.49 -1.39 115.31 117.60 1iru h LEU 160 Ca 0.18 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1iru h LEU 160 Cb 0.16 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1iru h LEU 160 CO -0.18 0.74 0.03 0.00 0.09 0.00 0.00 178.44 179.11 1iru h ALA 161 N 1.31 0.09 0.35 1.53 0.00 -0.21 -0.29 119.26 122.04 1iru h ALA 161 Ca 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1iru h ALA 161 Cb 0.59 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1iru h ALA 161 CO 0.04 -0.32 -0.27 -0.07 0.00 0.00 0.00 179.25 178.64 1iru h LEU 162 N -0.06 -0.69 -0.56 0.00 3.38 -0.57 -2.09 115.31 114.72 1iru h LEU 162 Ca 0.02 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.12 1iru h LEU 162 Cb 0.18 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1iru h LEU 162 CO -0.00 -0.40 0.22 0.00 0.09 0.00 0.00 178.44 178.34 1iru h ALA 163 N -0.04 0.71 0.00 1.53 0.00 -1.23 -0.66 119.26 119.56 1iru h ALA 163 Ca -0.03 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1iru h ALA 163 Cb 0.53 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1iru h ALA 163 CO -0.00 -0.18 -0.00 0.52 0.00 0.00 0.00 179.25 179.59 1iru h MET 164 N 0.41 0.00 -0.29 0.00 2.86 -0.84 -1.00 114.93 116.07 1iru h MET 164 Ca 0.27 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.84 1iru h MET 164 Cb 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1iru h MET 164 CO -0.26 0.00 -0.11 1.49 1.06 0.00 0.00 176.91 179.10 1iru h GLU 165 N 0.00 0.58 0.00 1.72 4.57 -0.42 -3.35 114.58 117.68 1iru h GLU 165 Ca -0.00 -0.24 -0.20 0.00 -1.18 0.00 0.00 59.36 57.74 1iru h GLU 165 Cb 0.01 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 1iru h GLU 165 CO 0.00 0.80 -1.65 0.54 -1.18 0.00 0.00 179.01 177.52 1iru n ARG 166 N -4.46 0.64 -3.40 1.92 5.12 -0.95 -4.90 116.66 110.63 1iru n ARG 166 Ca -0.03 0.17 -0.38 0.00 -1.93 0.00 0.00 57.85 55.67 1iru n ARG 166 Cb 0.34 -1.74 -0.08 0.00 -1.16 0.00 0.00 32.46 29.82 1iru n ARG 166 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1iru s ASP 167 N -5.68 6.37 0.32 0.55 2.15 -0.42 -4.94 116.67 115.01 1iru s ASP 167 Ca -0.05 0.43 0.05 0.00 0.43 0.00 0.00 52.55 53.41 1iru s ASP 167 Cb 0.09 -2.22 0.56 0.00 -0.30 0.00 0.00 42.92 41.05 1iru s ASP 167 CO 0.82 -0.10 1.83 1.23 -0.17 0.00 0.00 175.17 178.78 1iru h GLY 168 N 7.92 0.49 0.81 2.66 0.00 -1.89 -2.04 103.07 111.00 1iru h GLY 168 Ca -0.35 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1iru h GLY 168 CO 0.69 0.30 0.00 1.44 0.00 0.00 0.00 176.54 178.98 1iru n SER 169 N -4.22 0.00 -4.11 0.19 7.64 -1.26 -4.72 113.62 107.14 1iru n SER 169 Ca 0.00 -0.85 -0.17 0.00 1.01 0.00 0.00 58.87 58.86 1iru n SER 169 Cb 0.31 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.38 1iru n SER 169 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1iru s SER 170 N -1.86 1.36 0.00 6.43 0.01 -0.77 -0.06 113.70 118.81 1iru s SER 170 Ca 0.28 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1iru s SER 170 Cb 0.13 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1iru s SER 170 CO 0.21 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1iru n GLY 171 N 1.71 -0.91 3.66 3.44 0.00 -1.26 -4.72 105.19 107.10 1iru n GLY 171 Ca -0.20 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1iru n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iru n GLY 172 N 0.00 0.63 3.57 -0.02 0.00 -1.26 -2.10 105.19 106.02 1iru n GLY 172 Ca 0.00 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.71 1iru n GLY 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iru s VAL 173 N 0.00 3.28 -0.29 1.61 0.11 -1.26 -4.86 120.40 118.99 1iru s VAL 173 Ca 0.00 -1.46 -0.17 0.00 -2.93 0.00 0.00 61.98 57.42 1iru s VAL 173 Cb 0.00 -2.58 -0.02 0.00 -1.53 0.00 0.00 36.38 32.25 1iru s VAL 173 CO 0.00 0.00 0.48 -0.63 -3.33 0.00 0.00 175.10 171.62 1iru s ILE 174 N -1.45 5.08 -0.12 7.04 1.01 -1.17 -2.68 121.20 128.91 1iru s ILE 174 Ca 0.23 0.65 -0.07 0.00 0.00 0.00 0.00 60.65 61.46 1iru s ILE 174 Cb -0.10 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1iru s ILE 174 CO 0.14 0.01 0.13 -0.13 0.00 0.00 0.00 174.94 175.10 1iru s ARG 175 N 2.28 3.44 0.28 2.79 0.52 -0.47 -0.94 118.95 126.86 1iru s ARG 175 Ca 0.19 -0.14 0.04 0.00 -0.52 0.00 0.00 55.73 55.29 1iru s ARG 175 Cb -0.16 -3.18 -0.06 0.00 0.52 0.00 0.00 34.95 32.08 1iru s ARG 175 CO 0.11 0.77 0.03 -0.51 0.02 0.00 0.00 175.30 175.72 1iru s LEU 176 N -0.99 2.14 -0.28 2.53 1.43 -0.33 -2.36 118.68 120.81 1iru s LEU 176 Ca 0.15 -1.32 -0.19 0.00 -1.03 0.00 0.00 54.13 51.74 1iru s LEU 176 Cb -0.12 -0.32 0.12 0.00 0.03 0.00 0.00 46.19 45.90 1iru s LEU 176 CO 0.04 -0.57 0.94 0.00 0.23 0.00 0.00 176.35 176.98 1iru s ALA 177 N -3.37 -2.09 -0.07 4.21 0.00 -0.65 -2.24 121.76 117.55 1iru s ALA 177 Ca 0.34 2.13 0.05 0.00 0.00 0.00 0.00 51.96 54.48 1iru s ALA 177 Cb 0.07 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.63 1iru s ALA 177 CO 0.13 -0.32 -0.23 0.00 0.00 0.00 0.00 175.76 175.34 1iru s ALA 178 N 0.99 2.24 -0.05 0.00 0.00 -0.73 0.21 121.76 124.42 1iru s ALA 178 Ca -0.05 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 50.93 1iru s ALA 178 Cb -0.04 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1iru s ALA 178 CO -0.12 0.39 -0.17 0.42 0.00 0.00 0.00 175.76 176.28 1iru s ILE 179 N -0.08 1.46 0.22 0.00 1.01 0.11 -2.07 121.20 121.85 1iru s ILE 179 Ca -0.06 -0.72 -0.17 0.00 0.00 0.00 0.00 60.65 59.70 1iru s ILE 179 Cb -0.14 -1.27 0.02 0.00 0.01 0.00 0.00 42.46 41.08 1iru s ILE 179 CO 0.05 0.42 0.55 0.00 0.00 0.00 0.00 174.94 175.96 1iru s ALA 180 N 0.19 -0.88 0.23 9.38 0.00 -0.84 0.71 121.76 130.54 1iru s ALA 180 Ca -0.08 -0.33 -0.08 0.00 0.00 0.00 0.00 51.96 51.47 1iru s ALA 180 Cb -0.13 0.89 0.36 0.00 0.00 0.00 0.00 23.12 24.24 1iru s ALA 180 CO 0.03 -0.85 1.29 -1.91 0.00 0.00 0.00 175.76 174.32 1iru n GLU 181 N -0.37 -0.09 -0.26 0.00 2.13 -1.23 0.29 120.64 121.10 1iru n GLU 181 Ca -0.08 1.29 0.23 0.00 0.66 0.00 0.00 57.16 59.27 1iru n GLU 181 Cb 0.62 -1.93 0.57 0.00 0.27 0.00 0.00 31.44 30.96 1iru n GLU 181 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1iru h SER 182 N 0.00 0.32 0.00 4.31 0.02 -1.96 -3.47 113.55 112.76 1iru h SER 182 Ca 0.38 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1iru h SER 182 Cb 0.59 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1iru h SER 182 CO -0.85 0.10 0.00 0.61 -1.14 0.00 0.00 176.83 175.55 1iru n GLY 183 N -1.56 0.24 3.01 -3.77 0.00 0.14 -5.11 105.19 98.14 1iru n GLY 183 Ca 0.21 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.57 1iru n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 184 N -3.36 1.19 -0.18 1.61 1.01 -1.26 -1.98 120.40 117.43 1iru s VAL 184 Ca 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1iru s VAL 184 Cb 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.30 1iru s VAL 184 CO 0.00 0.38 -0.17 -1.83 0.00 0.00 0.00 175.10 173.47 1iru s GLU 185 N 0.93 2.72 -0.15 2.72 -1.05 -0.88 -4.99 118.70 118.00 1iru s GLU 185 Ca -0.09 -0.79 -0.04 0.00 -0.15 0.00 0.00 54.97 53.91 1iru s GLU 185 Cb -0.15 -2.46 -0.03 0.00 -0.44 0.00 0.00 34.13 31.06 1iru s GLU 185 CO 0.00 -0.25 -0.04 1.03 0.95 0.00 0.00 175.26 176.96 1iru s ARG 186 N 1.34 3.66 0.35 -4.83 0.52 -1.26 -1.77 118.95 116.95 1iru s ARG 186 Ca 0.04 -0.52 0.04 0.00 -0.52 0.00 0.00 55.73 54.76 1iru s ARG 186 Cb -0.13 -2.90 -0.06 0.00 0.52 0.00 0.00 34.95 32.38 1iru s ARG 186 CO -0.12 0.25 0.07 1.14 0.02 0.00 0.00 175.30 176.66 1iru s GLN 187 N 0.34 1.72 0.05 3.54 -2.07 -0.95 -4.99 119.66 117.30 1iru s GLN 187 Ca -0.04 -1.98 0.04 0.00 -1.82 0.00 0.00 55.36 51.56 1iru s GLN 187 Cb -0.14 -0.85 -0.02 0.00 -1.09 0.00 0.00 33.01 30.90 1iru s GLN 187 CO 0.03 -0.24 -0.11 0.08 -1.32 0.00 0.00 175.29 173.73 1iru s VAL 188 N -3.26 0.82 -0.46 3.63 1.01 -1.26 -1.19 120.40 119.69 1iru s VAL 188 Ca 0.33 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1iru s VAL 188 Cb 0.07 -0.82 0.12 0.00 0.00 0.00 0.00 36.38 35.76 1iru s VAL 188 CO 0.15 -0.23 0.20 -0.76 0.00 0.00 0.00 175.10 174.46 1iru s LEU 189 N -1.47 4.70 0.77 3.92 1.43 -0.12 -5.00 118.68 122.92 1iru s LEU 189 Ca -0.05 -2.57 -0.11 0.00 -1.03 0.00 0.00 54.13 50.37 1iru s LEU 189 Cb -0.09 -1.69 0.06 0.00 0.03 0.00 0.00 46.19 44.51 1iru s LEU 189 CO 0.01 -0.34 1.14 -0.76 0.23 0.00 0.00 176.35 176.63 1iru s LEU 190 N 0.33 2.63 0.00 1.79 1.43 -1.26 -3.04 118.68 120.56 1iru s LEU 190 Ca 0.14 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 1iru s LEU 190 Cb -0.22 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1iru s LEU 190 CO -0.04 -1.74 0.00 0.61 0.23 0.00 0.00 176.35 175.41 1iru n GLY 191 N -3.19 0.00 0.35 -3.19 0.00 -1.26 -0.08 105.19 97.81 1iru n GLY 191 Ca 0.08 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.24 1iru n GLY 191 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iru h ASP 192 N 0.00 0.15 0.06 1.61 3.32 -2.00 -1.13 116.42 118.43 1iru h ASP 192 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1iru h ASP 192 Cb 0.00 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1iru h ASP 192 CO 0.00 0.09 -0.02 1.56 -1.72 0.00 0.00 179.24 179.15 1iru h GLN 193 N 0.16 0.00 -6.25 3.56 4.20 -0.80 -3.42 115.11 112.56 1iru h GLN 193 Ca 0.22 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.37 1iru h GLN 193 Cb 0.65 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1iru h GLN 193 CO -0.03 0.02 0.89 0.42 -0.67 0.00 0.00 178.83 179.45 1iru s ILE 194 N -4.47 4.02 0.48 2.54 1.01 -0.43 -4.92 121.20 119.43 1iru s ILE 194 Ca -0.05 1.29 -0.20 0.00 0.00 0.00 0.00 60.65 61.70 1iru s ILE 194 Cb 0.14 -3.83 -0.14 0.00 0.01 0.00 0.00 42.46 38.64 1iru s ILE 194 CO 0.53 -0.07 0.16 -2.65 0.00 0.00 0.00 174.94 172.90 1iru n PRO 195 N 6.19 0.18 -4.26 2.79 -0.02 -1.26 -4.97 135.00 133.65 1iru n PRO 195 Ca 0.14 0.07 -0.18 0.00 -2.02 0.00 0.00 63.50 61.50 1iru n PRO 195 Cb 0.44 -1.21 -0.11 0.00 -0.02 0.00 0.00 33.50 32.60 1iru n PRO 195 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1iru s LYS 196 N -1.29 1.08 -0.05 -0.52 1.02 -1.26 -4.94 119.74 113.78 1iru s LYS 196 Ca 0.61 -1.29 -0.02 0.00 0.02 0.00 0.00 55.97 55.29 1iru s LYS 196 Cb -0.54 -0.97 0.04 0.00 -0.52 0.00 0.00 37.83 35.83 1iru s LYS 196 CO 0.62 0.19 0.09 -0.06 -0.92 0.00 0.00 175.35 175.26 1iru s PHE 197 N -2.19 -0.05 0.19 3.18 0.40 -1.26 -5.13 117.98 113.12 1iru s PHE 197 Ca 0.11 0.34 -0.32 0.00 -0.60 0.00 0.00 56.93 56.46 1iru s PHE 197 Cb -0.05 -0.27 -0.11 0.00 0.51 0.00 0.00 43.02 43.10 1iru s PHE 197 CO 0.04 -0.17 1.71 0.00 0.70 0.00 0.00 175.22 177.50 1iru s ALA 198 N 1.60 3.90 -0.15 5.36 0.00 -1.26 -4.94 121.76 126.28 1iru s ALA 198 Ca -0.03 1.54 -0.29 0.00 0.00 0.00 0.00 51.96 53.18 1iru s ALA 198 Cb -0.12 -3.69 -0.02 0.00 0.00 0.00 0.00 23.12 19.28 1iru s ALA 198 CO -0.04 -0.93 1.40 0.08 0.00 0.00 0.00 175.76 176.27 1iru s VAL 199 N 1.30 4.04 0.10 0.00 1.01 -1.26 -4.93 120.40 120.66 1iru s VAL 199 Ca 0.75 1.24 -0.35 0.00 0.00 0.00 0.00 61.98 63.61 1iru s VAL 199 Cb -0.49 -3.85 -0.17 0.00 0.00 0.00 0.00 36.38 31.87 1iru s VAL 199 CO 0.32 -0.16 1.07 0.00 0.00 0.00 0.00 175.10 176.33 1iru n ALA 200 N 7.00 -2.06 -3.00 5.51 0.00 -1.26 -5.00 120.51 121.70 1iru n ALA 200 Ca 0.15 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1iru n ALA 200 Cb 0.44 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1iru n ALA 200 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1iru n THR 201 N 1.47 0.00 1.37 0.00 5.66 -1.26 -5.33 114.28 116.19 1iru n THR 201 Ca 0.18 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.29 1iru n THR 201 Cb 0.18 0.00 0.65 0.00 -1.55 0.00 0.00 70.33 69.61 1iru n THR 201 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02