#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 -0.24 0.15 12.58 2.01 -1.26 -1.00 115.64 127.88 1iru s THR 2 Ca 0.00 0.36 0.04 0.00 0.31 0.00 0.00 61.69 62.40 1iru s THR 2 Cb 0.00 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 1iru s THR 2 CO 0.00 0.15 -0.09 0.42 -0.69 0.00 0.00 174.62 174.41 1iru s THR 3 N 2.28 1.12 -0.02 -0.82 -4.23 0.87 -2.12 115.64 112.71 1iru s THR 3 Ca 0.03 -2.05 -0.29 0.00 -1.18 0.00 0.00 61.69 58.21 1iru s THR 3 Cb -0.12 -1.90 0.10 0.00 1.34 0.00 0.00 72.50 71.92 1iru s THR 3 CO -0.05 -0.70 0.83 -1.48 -0.54 0.00 0.00 174.62 172.68 1iru s LEU 4 N -3.18 -0.45 -0.24 4.79 0.05 -0.95 -0.79 118.68 117.91 1iru s LEU 4 Ca 0.18 0.22 -0.20 0.00 0.05 0.00 0.00 54.13 54.38 1iru s LEU 4 Cb 0.03 2.16 0.06 0.00 -2.05 0.00 0.00 46.19 46.40 1iru s LEU 4 CO 0.01 -0.61 0.63 0.00 -0.55 0.00 0.00 176.35 175.83 1iru s ALA 5 N -2.41 -1.59 0.00 1.48 0.00 -0.45 -1.73 121.76 117.06 1iru s ALA 5 Ca 0.00 1.89 -0.10 0.00 0.00 0.00 0.00 51.96 53.75 1iru s ALA 5 Cb -0.01 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 22.02 1iru s ALA 5 CO -0.04 -0.31 0.19 -0.59 0.00 0.00 0.00 175.76 175.01 1iru s PHE 6 N 0.66 -0.02 -0.03 0.00 -0.12 -0.85 -0.62 117.98 117.00 1iru s PHE 6 Ca -0.03 -0.03 0.05 0.00 -0.05 0.00 0.00 56.93 56.87 1iru s PHE 6 Cb -0.05 -0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.31 1iru s PHE 6 CO -0.04 -0.33 -0.17 -1.59 -0.05 0.00 0.00 175.22 173.05 1iru s LYS 7 N -1.45 2.39 0.00 1.99 -2.85 -0.37 -0.02 119.74 119.42 1iru s LYS 7 Ca -0.14 -0.77 0.00 0.00 -1.00 0.00 0.00 55.97 54.06 1iru s LYS 7 Cb -0.07 -2.30 0.00 0.00 -2.06 0.00 0.00 37.83 33.40 1iru s LYS 7 CO 0.02 0.60 0.00 1.97 0.10 0.00 0.00 175.35 178.04 1iru n PHE 8 N 2.23 0.00 -0.08 1.78 -0.00 -0.01 -4.84 117.46 116.54 1iru n PHE 8 Ca -0.17 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.13 1iru n PHE 8 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 39.96 1iru n PHE 8 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 1iru h ARG 9 N 0.00 0.88 -0.88 3.97 2.43 -1.44 -3.26 114.38 116.07 1iru h ARG 9 Ca 0.00 -0.55 -0.21 0.00 -0.81 0.00 0.00 59.98 58.41 1iru h ARG 9 Cb 0.00 0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 29.48 1iru h ARG 9 CO 0.00 1.19 0.27 0.72 -1.51 0.00 0.00 179.97 180.64 1iru n HIS 10 N -4.03 1.87 0.00 2.20 8.25 -1.26 -5.03 115.22 117.22 1iru n HIS 10 Ca -0.04 -1.06 0.00 0.00 -0.26 0.00 0.00 57.72 56.36 1iru n HIS 10 Cb 0.62 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1iru n HIS 10 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1iru n GLY 11 N -0.21 0.36 2.81 -1.41 0.00 -1.23 -4.69 105.19 100.82 1iru n GLY 11 Ca 0.33 -1.49 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 1iru n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 12 N 0.00 -0.02 -0.06 1.61 1.01 -1.11 -0.83 120.40 121.00 1iru s VAL 12 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 1iru s VAL 12 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.28 1iru s VAL 12 CO 0.00 0.06 0.09 -0.63 0.00 0.00 0.00 175.10 174.61 1iru s ILE 13 N 0.66 4.91 -0.04 2.22 -1.09 0.97 -0.91 121.20 127.92 1iru s ILE 13 Ca -0.06 -0.16 -0.01 0.00 -2.23 0.00 0.00 60.65 58.19 1iru s ILE 13 Cb -0.08 -3.17 0.03 0.00 -1.58 0.00 0.00 42.46 37.66 1iru s ILE 13 CO -0.02 0.50 0.07 -0.69 -1.23 0.00 0.00 174.94 173.57 1iru s VAL 14 N -1.07 -0.10 0.18 2.92 1.01 -0.62 -2.00 120.40 120.72 1iru s VAL 14 Ca 0.18 0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1iru s VAL 14 Cb -0.12 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 1iru s VAL 14 CO 0.08 0.14 0.00 0.00 0.00 0.00 0.00 175.10 175.32 1iru s ALA 15 N 1.71 1.42 -0.14 5.51 0.00 -0.71 -0.02 121.76 129.54 1iru s ALA 15 Ca -0.01 -1.62 -0.31 0.00 0.00 0.00 0.00 51.96 50.02 1iru s ALA 15 Cb -0.12 0.56 0.13 0.00 0.00 0.00 0.00 23.12 23.68 1iru s ALA 15 CO -0.04 -0.31 1.05 0.00 0.00 0.00 0.00 175.76 176.46 1iru s ALA 16 N -3.63 -1.95 0.90 0.00 0.00 -0.75 -2.25 121.76 114.08 1iru s ALA 16 Ca 0.25 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1iru s ALA 16 Cb 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1iru s ALA 16 CO 0.05 -0.47 0.00 -0.40 0.00 0.00 0.00 175.76 174.94 1iru n ASP 17 N 0.27 0.00 -0.32 0.00 5.75 -0.90 -1.21 116.55 120.14 1iru n ASP 17 Ca -0.07 -0.75 0.01 0.00 -0.01 0.00 0.00 54.79 53.98 1iru n ASP 17 Cb 0.59 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.69 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 -2.24 0.27 -4.76 -1.12 3.41 -0.53 -4.51 113.62 104.13 1iru n SER 18 Ca 0.00 -1.83 -0.39 0.00 -0.26 0.00 0.00 58.87 56.39 1iru n SER 18 Cb 0.00 -0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 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 -0.28 4.32 -0.09 4.33 3.52 -1.01 -1.77 118.95 127.97 1iru s ARG 19 Ca 0.03 0.76 0.02 0.00 -0.13 0.00 0.00 55.73 56.41 1iru s ARG 19 Cb 0.02 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 30.09 1iru s ARG 19 CO 0.00 0.38 -0.14 0.00 -0.81 0.00 0.00 175.30 174.73 1iru s ALA 20 N -0.25 1.55 0.39 6.12 0.00 0.64 -4.58 121.76 125.62 1iru s ALA 20 Ca 0.31 -0.62 0.08 0.00 0.00 0.00 0.00 51.96 51.73 1iru s ALA 20 Cb -0.18 -0.74 -0.06 0.00 0.00 0.00 0.00 23.12 22.14 1iru s ALA 20 CO 0.18 0.01 0.07 0.95 0.00 0.00 0.00 175.76 176.97 1iru s THR 21 N 0.85 2.32 -0.40 0.00 -4.23 -1.26 0.18 115.64 113.10 1iru s THR 21 Ca -0.10 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 58.55 1iru s THR 21 Cb -0.15 -2.93 0.15 0.00 1.34 0.00 0.00 72.50 70.91 1iru s THR 21 CO 0.01 -0.07 0.27 0.00 -0.54 0.00 0.00 174.62 174.29 1iru s ALA 22 N -2.60 1.38 0.00 3.99 0.00 0.16 -4.78 121.76 119.91 1iru s ALA 22 Ca 0.37 -2.24 0.00 0.00 0.00 0.00 0.00 51.96 50.09 1iru s ALA 22 Cb 0.04 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1iru s ALA 22 CO 0.20 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.31 1iru n GLY 23 N 3.51 1.31 0.05 0.00 0.00 -1.26 -2.57 105.19 106.24 1iru n GLY 23 Ca 0.17 -0.56 0.11 0.00 0.00 0.00 0.00 46.02 45.75 1iru n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iru n ALA 24 N 9.81 3.05 -2.13 4.61 0.00 -1.26 -4.91 120.51 129.67 1iru n ALA 24 Ca 0.00 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 1iru n ALA 24 Cb 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 1iru n ALA 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1iru s TYR 25 N -3.29 2.85 -0.48 0.00 5.04 -1.06 -4.95 117.35 115.46 1iru s TYR 25 Ca 0.01 0.72 -0.29 0.00 -2.44 0.00 0.00 57.07 55.08 1iru s TYR 25 Cb 0.13 -3.75 0.02 0.00 0.35 0.00 0.00 41.96 38.71 1iru s TYR 25 CO 0.81 -2.80 1.32 0.42 -1.34 0.00 0.00 175.55 173.96 1iru s ILE 26 N 2.11 3.97 -0.23 3.14 -1.09 -1.26 -0.66 121.20 127.17 1iru s ILE 26 Ca 0.67 0.95 0.19 0.00 -2.23 0.00 0.00 60.65 60.23 1iru s ILE 26 Cb -0.35 -4.41 0.06 0.00 -1.58 0.00 0.00 42.46 36.18 1iru s ILE 26 CO 0.29 -0.97 1.21 0.00 -1.23 0.00 0.00 174.94 174.24 1iru h ALA 27 N 10.30 0.69 -1.72 9.38 0.00 -0.57 -3.48 119.26 133.86 1iru h ALA 27 Ca -0.26 -0.32 0.14 0.00 0.00 0.00 0.00 54.91 54.47 1iru h ALA 27 Cb 1.09 0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.72 1iru h ALA 27 CO 1.13 0.38 0.62 0.45 0.00 0.00 0.00 179.25 181.82 1iru s SER 28 N -5.91 -0.29 -0.02 0.00 0.15 -0.91 -4.99 113.70 101.73 1iru s SER 28 Ca 0.02 0.17 0.11 0.00 0.70 0.00 0.00 55.95 56.95 1iru s SER 28 Cb 0.08 0.27 0.19 0.00 -1.71 0.00 0.00 66.02 64.85 1iru s SER 28 CO 0.76 -0.38 1.08 0.00 1.20 0.00 0.00 173.24 175.90 1iru n GLN 29 N 0.25 0.19 -1.33 5.44 6.02 -1.25 -0.26 117.38 126.45 1iru n GLN 29 Ca -0.07 -1.60 -0.03 0.00 -0.01 0.00 0.00 57.00 55.30 1iru n GLN 29 Cb 0.59 -0.48 0.11 0.00 1.02 0.00 0.00 30.24 31.49 1iru n GLN 29 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1iru n THR 30 N -0.01 1.87 -2.89 5.09 -2.24 -1.12 -4.16 114.28 110.81 1iru n THR 30 Ca 0.04 -3.13 -0.41 0.00 -2.27 0.00 0.00 64.05 58.29 1iru n THR 30 Cb 0.85 -0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.89 1iru n THR 30 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1iru s VAL 31 N -3.15 4.96 -0.94 2.28 1.01 -0.73 -4.98 120.40 118.85 1iru s VAL 31 Ca 0.40 1.72 -0.19 0.00 0.00 0.00 0.00 61.98 63.91 1iru s VAL 31 Cb 0.38 -4.17 0.12 0.00 0.00 0.00 0.00 36.38 32.71 1iru s VAL 31 CO -0.05 0.19 1.18 -0.54 0.00 0.00 0.00 175.10 175.88 1iru s LYS 32 N 1.01 3.60 0.00 2.72 1.02 -1.26 -4.48 119.74 122.34 1iru s LYS 32 Ca 0.44 -1.66 0.30 0.00 0.02 0.00 0.00 55.97 55.07 1iru s LYS 32 Cb -0.19 -4.98 1.64 0.00 -0.52 0.00 0.00 37.83 33.78 1iru s LYS 32 CO 0.22 -1.84 2.09 1.63 -0.92 0.00 0.00 175.35 176.53 1iru n LYS 33 N 6.92 0.65 -3.50 1.68 5.02 -1.26 -4.41 118.16 123.26 1iru n LYS 33 Ca 0.25 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.13 1iru n LYS 33 Cb 0.49 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.91 1iru n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1iru s VAL 34 N -2.33 4.78 -0.26 -0.18 1.01 -1.26 -1.03 120.40 121.14 1iru s VAL 34 Ca 0.36 -1.11 -0.25 0.00 0.00 0.00 0.00 61.98 60.98 1iru s VAL 34 Cb 0.20 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 1iru s VAL 34 CO 0.41 -0.47 0.86 -0.63 0.00 0.00 0.00 175.10 175.27 1iru s ILE 35 N 1.56 4.79 -1.31 2.22 1.01 0.11 -4.94 121.20 124.64 1iru s ILE 35 Ca 0.03 1.56 -0.17 0.00 0.00 0.00 0.00 60.65 62.07 1iru s ILE 35 Cb -0.22 -4.17 0.03 0.00 0.01 0.00 0.00 42.46 38.11 1iru s ILE 35 CO 0.05 -0.15 1.93 -0.62 0.00 0.00 0.00 174.94 176.16 1iru n GLU 36 N 6.14 2.83 0.03 2.79 1.02 -1.26 -1.41 120.64 130.78 1iru n GLU 36 Ca 0.06 -2.89 -0.03 0.00 -0.02 0.00 0.00 57.16 54.28 1iru n GLU 36 Cb 0.47 -3.42 -0.02 0.00 -0.02 0.00 0.00 31.44 28.46 1iru n GLU 36 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1iru h ILE 37 N 5.04 0.00 -3.74 -3.67 2.04 -1.85 -3.46 117.51 111.87 1iru h ILE 37 Ca 0.47 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.97 1iru h ILE 37 Cb 0.79 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.72 1iru h ILE 37 CO 1.61 0.00 -0.61 0.20 0.00 0.00 0.00 178.15 179.35 1iru s ASN 38 N -2.77 1.23 0.00 1.72 0.01 -0.81 -4.84 114.94 109.48 1iru s ASN 38 Ca -0.03 -1.39 0.13 0.00 -0.71 0.00 0.00 52.86 50.86 1iru s ASN 38 Cb 0.01 0.16 0.79 0.00 0.41 0.00 0.00 41.25 42.62 1iru s ASN 38 CO 0.11 -0.73 1.23 -0.81 -1.51 0.00 0.00 177.10 175.40 1iru n PRO 39 N -0.47 0.55 0.00 -0.60 -0.04 -1.26 -2.35 135.00 130.83 1iru n PRO 39 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1iru n PRO 39 Cb 0.66 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 1iru n PRO 39 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1iru n TYR 40 N -0.88 0.00 -3.93 0.54 0.18 -1.26 -2.89 117.16 108.92 1iru n TYR 40 Ca 0.10 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.73 1iru n TYR 40 Cb 0.05 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.86 1iru n TYR 40 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1iru s LEU 41 N -0.23 1.66 0.06 -3.48 1.43 -0.99 -4.24 118.68 112.89 1iru s LEU 41 Ca 0.00 -0.02 0.10 0.00 -1.03 0.00 0.00 54.13 53.17 1iru s LEU 41 Cb 0.00 -0.12 -0.03 0.00 0.03 0.00 0.00 46.19 46.06 1iru s LEU 41 CO 0.00 -0.03 -0.26 -0.76 0.23 0.00 0.00 176.35 175.53 1iru s LEU 42 N 0.38 2.20 0.14 1.79 1.43 0.90 -1.93 118.68 123.59 1iru s LEU 42 Ca -0.03 -0.62 0.05 0.00 -1.03 0.00 0.00 54.13 52.49 1iru s LEU 42 Cb -0.06 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 1iru s LEU 42 CO -0.01 0.23 -0.11 -0.83 0.23 0.00 0.00 176.35 175.87 1iru s GLY 43 N -1.43 1.04 0.38 -3.19 0.00 -0.50 0.13 107.32 103.76 1iru s GLY 43 Ca 0.12 -1.42 0.08 0.00 0.00 0.00 0.00 44.72 43.50 1iru s GLY 43 CO 0.03 -1.51 0.21 -0.51 0.00 0.00 0.00 173.10 171.32 1iru s THR 44 N -3.02 2.71 -0.21 0.90 -4.23 -1.09 0.06 115.64 110.76 1iru s THR 44 Ca 0.14 -1.61 0.01 0.00 -1.18 0.00 0.00 61.69 59.05 1iru s THR 44 Cb 0.01 -3.00 0.05 0.00 1.34 0.00 0.00 72.50 70.90 1iru s THR 44 CO 0.01 -0.08 -0.09 -0.32 -0.54 0.00 0.00 174.62 173.60 1iru s MET 45 N -3.93 1.92 -0.03 3.99 0.00 -0.20 -4.55 119.30 116.50 1iru s MET 45 Ca 0.41 -0.93 -0.11 0.00 0.00 0.00 0.00 55.69 55.07 1iru s MET 45 Cb -0.00 -2.50 0.02 0.00 0.00 0.00 0.00 34.83 32.34 1iru s MET 45 CO 0.24 -0.49 0.24 0.00 0.00 0.00 0.00 175.02 175.00 1iru s ALA 46 N 1.37 -0.59 0.00 4.11 0.00 -1.03 -4.90 121.76 120.73 1iru s ALA 46 Ca -0.03 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1iru s ALA 46 Cb -0.17 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1iru s ALA 46 CO -0.07 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1iru n GLY 47 N 1.82 1.41 3.66 0.00 0.00 -1.26 -1.43 105.19 109.39 1iru n GLY 47 Ca -0.19 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 1iru n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iru s GLY 48 N 0.00 2.04 0.06 -0.02 0.00 0.51 -4.98 107.32 104.94 1iru s GLY 48 Ca 0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 44.72 44.09 1iru s GLY 48 CO 0.00 1.17 1.39 0.00 0.00 0.00 0.00 173.10 175.66 1iru h ALA 49 N 7.51 -1.05 -0.97 3.20 0.00 -1.88 -1.57 119.26 124.51 1iru h ALA 49 Ca -0.33 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.57 1iru h ALA 49 Cb 1.15 0.58 -0.08 0.00 0.00 0.00 0.00 17.79 19.44 1iru h ALA 49 CO 0.75 -1.06 0.61 0.00 0.00 0.00 0.00 179.25 179.55 1iru h ALA 50 N -1.18 1.59 -0.66 0.00 0.00 -1.95 -1.54 119.26 115.53 1iru h ALA 50 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1iru h ALA 50 Cb 0.62 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1iru h ALA 50 CO -0.03 0.17 0.43 -0.44 0.00 0.00 0.00 179.25 179.38 1iru h ASP 51 N 0.93 0.77 -0.01 0.00 3.32 -1.77 -0.16 116.42 119.50 1iru h ASP 51 Ca 0.47 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.49 1iru h ASP 51 Cb 0.51 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1iru h ASP 51 CO -0.24 0.56 -0.03 0.00 -1.72 0.00 0.00 179.24 177.82 1iru h SER 53 N -0.58 -0.80 0.35 0.00 0.02 -1.23 -1.36 113.55 109.95 1iru h SER 53 Ca -0.00 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1iru h SER 53 Cb 0.65 0.30 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 1iru h SER 53 CO 0.01 -0.38 -0.50 0.15 -1.14 0.00 0.00 176.83 174.97 1iru h PHE 54 N -0.51 -1.40 -0.68 3.45 3.57 -1.14 -0.13 116.94 120.10 1iru h PHE 54 Ca 0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1iru h PHE 54 Cb 0.53 0.57 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 1iru h PHE 54 CO -0.24 -0.62 0.44 -1.49 -2.23 0.00 0.00 178.31 174.17 1iru h TRP 55 N -0.88 0.86 -0.09 0.41 4.06 -1.50 -0.53 115.95 118.28 1iru h TRP 55 Ca -0.04 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.85 1iru h TRP 55 Cb 0.80 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.66 1iru h TRP 55 CO -0.32 0.55 -0.30 0.93 -3.56 0.00 0.00 178.44 175.73 1iru h GLU 56 N 0.92 0.16 -0.56 0.49 5.08 -1.19 0.22 114.58 119.69 1iru h GLU 56 Ca 0.25 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1iru h GLU 56 Cb -0.09 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1iru h GLU 56 CO -0.05 0.45 0.01 -0.09 -1.00 0.00 0.00 179.01 178.33 1iru h ARG 57 N 0.14 0.96 -0.69 2.33 2.43 -0.19 0.33 114.38 119.70 1iru h ARG 57 Ca 0.02 -0.28 -0.07 0.00 -0.81 0.00 0.00 59.98 58.84 1iru h ARG 57 Cb 0.62 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1iru h ARG 57 CO 0.04 0.94 0.17 1.25 -1.51 0.00 0.00 179.97 180.87 1iru h LEU 58 N 0.88 1.03 -0.76 3.80 5.85 -0.29 -1.31 115.31 124.52 1iru h LEU 58 Ca 0.16 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1iru h LEU 58 Cb 0.51 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1iru h LEU 58 CO 0.02 0.99 0.24 0.25 -0.34 0.00 0.00 178.44 179.61 1iru h LEU 59 N 1.04 1.10 -0.50 2.25 5.85 0.68 -0.39 115.31 125.34 1iru h LEU 59 Ca 0.22 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1iru h LEU 59 Cb 0.36 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1iru h LEU 59 CO 0.00 1.01 0.29 0.00 -0.34 0.00 0.00 178.44 179.41 1iru h ALA 60 N 1.13 0.64 -0.23 1.25 0.00 0.38 0.59 119.26 123.02 1iru h ALA 60 Ca 0.25 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1iru h ALA 60 Cb 0.30 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1iru h ALA 60 CO -0.01 -0.01 -0.00 -0.09 0.00 0.00 0.00 179.25 179.14 1iru h ARG 61 N 0.59 0.07 -0.62 0.00 2.43 -0.43 -1.32 114.38 115.10 1iru h ARG 61 Ca 0.20 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1iru h ARG 61 Cb 0.03 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1iru h ARG 61 CO -0.09 0.04 0.20 0.37 -1.51 0.00 0.00 179.97 178.98 1iru h GLN 62 N 0.07 0.93 -0.49 0.20 5.75 -0.62 -1.89 115.11 119.05 1iru h GLN 62 Ca 0.11 -0.17 -0.10 0.00 -0.15 0.00 0.00 58.65 58.34 1iru h GLN 62 Cb 0.14 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1iru h GLN 62 CO -0.19 0.79 -0.08 0.00 -2.65 0.00 0.00 178.83 176.71 1iru h ARG 64 N 0.78 0.51 0.04 0.00 9.65 -1.01 -0.02 114.38 124.34 1iru h ARG 64 Ca 0.13 -0.10 0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1iru h ARG 64 Cb 0.62 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1iru h ARG 64 CO 0.04 0.52 -0.07 0.82 2.80 0.00 0.00 179.97 184.07 1iru h ILE 65 N 0.39 0.82 -0.53 1.20 1.08 -1.24 -1.59 117.51 117.65 1iru h ILE 65 Ca 0.11 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.69 1iru h ILE 65 Cb 0.20 0.82 -0.10 0.00 -3.07 0.00 0.00 36.82 34.68 1iru h ILE 65 CO -0.01 0.00 -0.08 0.22 -0.69 0.00 0.00 178.15 177.59 1iru h TYR 66 N -0.15 -0.18 -0.48 1.37 3.20 -0.95 -0.98 116.97 118.80 1iru h TYR 66 Ca 0.01 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.95 1iru h TYR 66 Cb 0.16 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 1iru h TYR 66 CO -0.12 -0.19 0.29 1.49 -1.64 0.00 0.00 178.16 177.99 1iru h GLU 67 N 0.04 0.56 0.00 1.82 4.81 -0.58 -0.97 114.58 120.26 1iru h GLU 67 Ca 0.26 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1iru h GLU 67 Cb 0.41 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1iru h GLU 67 CO -0.51 0.37 -0.14 -0.07 -0.73 0.00 0.00 179.01 177.93 1iru h LEU 68 N 0.57 0.00 0.00 1.64 3.38 -0.31 0.18 115.31 120.77 1iru h LEU 68 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1iru h LEU 68 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1iru h LEU 68 CO -0.08 0.14 -0.71 0.54 0.09 0.00 0.00 178.44 178.42 1iru n ARG 69 N -4.01 0.15 0.00 1.13 1.74 -0.47 -4.37 116.66 110.83 1iru n ARG 69 Ca -0.02 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1iru n ARG 69 Cb 0.23 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1iru n ARG 69 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1iru n ASN 70 N -1.77 0.55 -4.48 0.55 3.02 -0.45 -5.01 115.26 107.68 1iru n ASN 70 Ca 0.04 -1.25 -0.40 0.00 -0.03 0.00 0.00 54.58 52.94 1iru n ASN 70 Cb 0.39 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.48 1iru n ASN 70 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1iru n LYS 71 N -0.12 -0.94 -3.71 3.52 5.02 0.60 -4.90 118.16 117.63 1iru n LYS 71 Ca 0.00 0.15 -0.14 0.00 -2.02 0.00 0.00 58.31 56.30 1iru n LYS 71 Cb 0.37 -4.53 -0.09 0.00 -0.02 0.00 0.00 35.03 30.76 1iru n LYS 71 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1iru s GLU 72 N -7.25 0.64 0.43 1.97 2.02 -1.24 -5.09 118.70 110.19 1iru s GLU 72 Ca 0.67 0.32 -0.24 0.00 0.02 0.00 0.00 54.97 55.74 1iru s GLU 72 Cb -0.39 0.30 -0.08 0.00 0.10 0.00 0.00 34.13 34.06 1iru s GLU 72 CO 1.02 -0.14 1.12 1.03 0.02 0.00 0.00 175.26 178.31 1iru s ARG 73 N -0.45 3.96 0.44 1.61 0.52 -1.26 -4.14 118.95 119.63 1iru s ARG 73 Ca -0.06 1.68 -0.22 0.00 -0.52 0.00 0.00 55.73 56.60 1iru s ARG 73 Cb -0.03 -2.49 -0.09 0.00 0.52 0.00 0.00 34.95 32.86 1iru s ARG 73 CO 0.03 -0.36 1.06 -1.50 0.02 0.00 0.00 175.30 174.55 1iru s ILE 74 N -1.58 3.69 0.47 1.52 2.07 -1.26 -5.01 121.20 121.10 1iru s ILE 74 Ca 0.60 1.20 -0.20 0.00 -1.41 0.00 0.00 60.65 60.84 1iru s ILE 74 Cb -0.26 -3.57 -0.09 0.00 0.13 0.00 0.00 42.46 38.67 1iru s ILE 74 CO 0.32 -0.09 1.02 -0.94 -1.91 0.00 0.00 174.94 173.34 1iru s SER 75 N -1.70 6.51 0.20 4.50 1.04 -1.26 -4.85 113.70 118.13 1iru s SER 75 Ca 0.62 1.87 -0.12 0.00 0.48 0.00 0.00 55.95 58.79 1iru s SER 75 Cb -0.20 -2.56 0.25 0.00 0.10 0.00 0.00 66.02 63.61 1iru s SER 75 CO 0.25 -0.67 1.66 0.58 0.98 0.00 0.00 173.24 176.05 1iru h VAL 76 N 1.66 0.52 -0.24 5.02 2.07 -1.95 0.63 116.25 123.97 1iru h VAL 76 Ca -0.49 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.04 1iru h VAL 76 Cb 1.21 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1iru h VAL 76 CO 0.60 0.02 -0.05 0.00 0.02 0.00 0.00 177.57 178.15 1iru h ALA 77 N 1.53 0.16 -0.44 1.67 0.00 -1.97 0.24 119.26 120.45 1iru h ALA 77 Ca 0.29 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.33 1iru h ALA 77 Cb 0.46 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1iru h ALA 77 CO -0.50 -0.47 0.20 0.00 0.00 0.00 0.00 179.25 178.48 1iru h ALA 78 N 1.23 0.54 0.71 0.00 0.00 -1.50 0.21 119.26 120.46 1iru h ALA 78 Ca 0.11 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1iru h ALA 78 Cb 0.17 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1iru h ALA 78 CO -0.24 -0.17 -0.34 0.00 0.00 0.00 0.00 179.25 178.50 1iru h ALA 79 N 1.25 -0.96 -0.83 0.00 0.00 -0.49 -0.04 119.26 118.19 1iru h ALA 79 Ca 0.20 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1iru h ALA 79 Cb 0.13 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1iru h ALA 79 CO -0.16 -0.98 0.54 0.66 0.00 0.00 0.00 179.25 179.31 1iru h SER 80 N -1.07 0.53 -0.08 0.00 4.64 -0.83 0.11 113.55 116.84 1iru h SER 80 Ca -0.10 0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.15 1iru h SER 80 Cb 0.76 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1iru h SER 80 CO 0.16 0.27 -0.26 0.50 -0.87 0.00 0.00 176.83 176.63 1iru h LYS 81 N 0.56 0.53 0.39 4.77 1.63 -0.25 0.08 116.57 124.27 1iru h LYS 81 Ca 0.41 -0.21 -0.02 0.00 -0.85 0.00 0.00 60.65 59.99 1iru h LYS 81 Cb 0.79 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1iru h LYS 81 CO -0.16 0.74 -0.19 -0.07 -3.45 0.00 0.00 179.45 176.32 1iru h LEU 82 N 0.46 -0.44 -0.58 5.20 3.38 0.11 -1.10 115.31 122.34 1iru h LEU 82 Ca 0.07 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.05 1iru h LEU 82 Cb 0.70 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.47 1iru h LEU 82 CO 0.05 -0.16 0.11 0.25 0.09 0.00 0.00 178.44 178.78 1iru h LEU 83 N -0.74 -0.03 -0.60 1.67 5.85 -1.11 0.66 115.31 121.00 1iru h LEU 83 Ca -0.05 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1iru h LEU 83 Cb 0.51 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1iru h LEU 83 CO 0.09 -0.00 0.33 0.00 -0.34 0.00 0.00 178.44 178.51 1iru h ALA 84 N 1.47 0.79 -0.29 1.25 0.00 -0.85 -2.11 119.26 119.53 1iru h ALA 84 Ca 0.30 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1iru h ALA 84 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1iru h ALA 84 CO -0.40 0.00 0.05 -0.91 0.00 0.00 0.00 179.25 177.99 1iru h ASN 85 N 0.62 0.46 -0.33 0.00 2.35 0.27 -0.56 115.58 118.38 1iru h ASN 85 Ca 0.27 -0.26 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1iru h ASN 85 Cb 0.15 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.35 1iru h ASN 85 CO -0.17 0.60 0.00 0.24 -1.65 0.00 0.00 177.43 176.46 1iru h MET 86 N 0.30 0.10 -0.25 0.81 2.86 -0.67 -3.05 114.93 115.03 1iru h MET 86 Ca 0.09 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.56 1iru h MET 86 Cb 0.34 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1iru h MET 86 CO 0.01 0.06 -0.51 0.28 1.06 0.00 0.00 176.91 177.81 1iru h VAL 87 N 0.10 1.30 -0.88 -2.22 2.07 -1.29 -3.30 116.25 112.02 1iru h VAL 87 Ca 0.16 -1.72 0.15 0.00 0.82 0.00 0.00 66.70 66.12 1iru h VAL 87 Cb 0.22 1.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.57 1iru h VAL 87 CO -0.27 0.55 0.57 0.22 0.02 0.00 0.00 177.57 178.66 1iru h TYR 88 N 0.54 0.75 -0.83 1.57 3.20 -0.98 -1.70 116.97 119.53 1iru h TYR 88 Ca 0.02 0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.10 1iru h TYR 88 Cb 1.07 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 39.05 1iru h TYR 88 CO 0.05 0.26 0.56 1.96 -1.64 0.00 0.00 178.16 179.35 1iru h GLN 89 N 0.62 0.35 -0.49 1.82 4.20 -1.63 -0.62 115.11 119.36 1iru h GLN 89 Ca 0.45 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.14 1iru h GLN 89 Cb 0.80 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1iru h GLN 89 CO -0.20 0.23 0.00 0.66 -0.67 0.00 0.00 178.83 178.85 1iru n TYR 90 N -4.48 0.65 -1.67 2.96 4.02 -0.64 -4.95 117.16 113.06 1iru n TYR 90 Ca 0.17 -0.33 -0.49 0.00 -0.01 0.00 0.00 57.90 57.25 1iru n TYR 90 Cb 0.65 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.92 1iru n TYR 90 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1iru n LYS 91 N 1.05 1.91 0.00 -0.72 4.81 -0.24 -0.74 118.16 124.23 1iru n LYS 91 Ca 0.18 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 1iru n LYS 91 Cb 0.46 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.05 1iru n LYS 91 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iru n GLY 92 N 3.68 0.26 1.01 3.14 0.00 -1.26 -4.95 105.19 107.07 1iru n GLY 92 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1iru n GLY 92 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1iru n MET 93 N -1.79 2.35 -0.09 1.61 2.81 0.08 -4.98 117.12 117.12 1iru n MET 93 Ca 0.00 -2.01 0.00 0.00 -1.81 0.00 0.00 57.70 53.88 1iru n MET 93 Cb 0.00 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.02 1iru n MET 93 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iru n GLY 94 N 1.41 0.59 3.76 3.03 0.00 -1.26 -5.06 105.19 107.66 1iru n GLY 94 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1iru n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iru s LEU 95 N 0.00 3.97 -0.25 0.99 1.43 -1.26 -4.96 118.68 118.59 1iru s LEU 95 Ca 0.00 2.80 0.01 0.00 -1.03 0.00 0.00 54.13 55.91 1iru s LEU 95 Cb 0.00 -4.13 0.07 0.00 0.03 0.00 0.00 46.19 42.16 1iru s LEU 95 CO 0.00 -1.36 -0.04 -0.55 0.23 0.00 0.00 176.35 174.63 1iru s SER 96 N -0.79 4.03 -0.09 2.29 0.15 -1.26 -4.86 113.70 113.18 1iru s SER 96 Ca 0.67 -1.35 -0.04 0.00 0.70 0.00 0.00 55.95 55.93 1iru s SER 96 Cb -0.41 -1.24 0.05 0.00 -1.71 0.00 0.00 66.02 62.70 1iru s SER 96 CO 0.51 -0.26 0.18 -0.32 1.20 0.00 0.00 173.24 174.54 1iru s MET 97 N 1.33 0.07 -0.28 5.44 0.00 -1.26 -0.36 119.30 124.23 1iru s MET 97 Ca -0.03 0.57 0.01 0.00 0.00 0.00 0.00 55.69 56.23 1iru s MET 97 Cb -0.19 -0.21 0.08 0.00 0.00 0.00 0.00 34.83 34.51 1iru s MET 97 CO -0.08 -0.28 0.01 0.20 0.00 0.00 0.00 175.02 174.88 1iru s GLY 98 N 2.11 1.38 0.04 2.11 0.00 -0.51 -2.12 107.32 110.33 1iru s GLY 98 Ca 0.00 -1.71 -0.01 0.00 0.00 0.00 0.00 44.72 43.01 1iru s GLY 98 CO -0.06 1.13 -0.03 -1.08 0.00 0.00 0.00 173.10 173.05 1iru s THR 99 N 1.35 0.22 -0.17 0.90 -1.32 -0.83 -2.46 115.64 113.33 1iru s THR 99 Ca 0.03 -1.58 0.01 0.00 -1.21 0.00 0.00 61.69 58.93 1iru s THR 99 Cb -0.18 -1.20 0.01 0.00 -1.51 0.00 0.00 72.50 69.62 1iru s THR 99 CO -0.12 -0.86 -0.19 -0.04 -2.21 0.00 0.00 174.62 171.21 1iru s MET 100 N -3.27 3.05 -0.31 7.08 -1.94 -1.26 -0.03 119.30 122.63 1iru s MET 100 Ca 0.01 -0.81 -0.15 0.00 -1.71 0.00 0.00 55.69 53.03 1iru s MET 100 Cb 0.03 -2.58 -0.02 0.00 2.01 0.00 0.00 34.83 34.27 1iru s MET 100 CO -0.07 -0.14 0.35 0.42 -0.01 0.00 0.00 175.02 175.57 1iru s ILE 101 N 1.14 5.18 0.06 2.53 -1.09 0.13 -2.66 121.20 126.49 1iru s ILE 101 Ca 0.01 0.25 0.08 0.00 -2.23 0.00 0.00 60.65 58.76 1iru s ILE 101 Cb -0.14 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 36.96 1iru s ILE 101 CO -0.08 0.03 -0.24 0.00 -1.23 0.00 0.00 174.94 173.42 1iru n GLY 103 N 1.67 0.52 2.87 0.00 0.00 -0.49 -0.07 105.19 109.69 1iru n GLY 103 Ca -0.17 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 1iru n GLY 103 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1iru s TRP 104 N -2.82 2.29 0.00 1.61 -0.11 -1.26 0.95 118.94 119.60 1iru s TRP 104 Ca 0.10 -1.88 0.00 0.00 1.22 0.00 0.00 56.10 55.54 1iru s TRP 104 Cb -0.00 -1.81 0.00 0.00 -1.50 0.00 0.00 33.47 30.16 1iru s TRP 104 CO -0.00 -0.82 0.00 -0.25 -4.62 0.00 0.00 176.95 171.26 1iru n ASP 105 N 4.69 0.00 -1.81 5.86 8.00 -0.49 -4.86 116.55 127.94 1iru n ASP 105 Ca -0.06 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.52 1iru n ASP 105 Cb 0.43 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 41.93 1iru n ASP 105 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1iru n LYS 106 N 0.00 4.62 0.00 -1.24 0.00 -1.26 -3.29 118.16 116.99 1iru n LYS 106 Ca 0.00 -3.11 0.00 0.00 -0.00 0.00 0.00 58.31 55.20 1iru n LYS 106 Cb 0.00 -2.18 0.00 0.00 -0.00 0.00 0.00 35.03 32.85 1iru n LYS 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1iru n ARG 107 N 0.69 -0.44 0.00 -1.58 1.74 -1.26 -5.14 116.66 110.67 1iru n ARG 107 Ca 0.27 -0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1iru n ARG 107 Cb 1.13 -0.76 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 1iru n ARG 107 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iru n GLY 108 N -0.01 -1.76 3.57 -0.13 0.00 -1.21 -4.96 105.19 100.69 1iru n GLY 108 Ca 0.00 -1.95 -0.46 0.00 0.00 0.00 0.00 46.02 43.61 1iru n GLY 108 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1iru n PRO 109 N 0.00 1.20 -4.30 1.61 -0.02 -1.26 -1.39 135.00 130.84 1iru n PRO 109 Ca 0.00 0.42 -0.19 0.00 -2.02 0.00 0.00 63.50 61.71 1iru n PRO 109 Cb 0.00 -1.78 -0.15 0.00 -0.02 0.00 0.00 33.50 31.54 1iru n PRO 109 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1iru s GLY 110 N -0.50 0.45 -0.10 -1.23 0.00 0.27 -4.83 107.32 101.38 1iru s GLY 110 Ca 0.62 -0.25 -0.04 0.00 0.00 0.00 0.00 44.72 45.05 1iru s GLY 110 CO 0.58 -0.01 0.19 -2.27 0.00 0.00 0.00 173.10 171.60 1iru s LEU 111 N 0.26 -0.07 0.02 0.66 2.96 -1.26 -1.40 118.68 119.85 1iru s LEU 111 Ca -0.04 0.42 0.05 0.00 -0.22 0.00 0.00 54.13 54.35 1iru s LEU 111 Cb -0.08 0.43 -0.02 0.00 0.50 0.00 0.00 46.19 47.02 1iru s LEU 111 CO 0.00 -0.23 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.32 1iru s TYR 112 N 2.22 1.45 -0.20 5.38 1.51 -0.25 -2.53 117.35 124.93 1iru s TYR 112 Ca 0.01 -0.32 -0.06 0.00 -1.01 0.00 0.00 57.07 55.69 1iru s TYR 112 Cb -0.12 -0.89 -0.03 0.00 -0.11 0.00 0.00 41.96 40.81 1iru s TYR 112 CO -0.07 0.02 0.04 -0.47 -1.11 0.00 0.00 175.55 173.96 1iru s TYR 113 N -0.62 3.14 -0.05 2.71 5.04 0.59 0.19 117.35 128.35 1iru s TYR 113 Ca 0.05 -0.18 0.04 0.00 -2.44 0.00 0.00 57.07 54.54 1iru s TYR 113 Cb -0.07 -2.10 0.00 0.00 0.35 0.00 0.00 41.96 40.14 1iru s TYR 113 CO 0.01 -0.06 -0.16 0.08 -1.34 0.00 0.00 175.55 174.08 1iru s VAL 114 N 0.76 1.34 0.29 3.14 1.01 0.96 -1.32 120.40 126.58 1iru s VAL 114 Ca 0.02 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.44 1iru s VAL 114 Cb -0.14 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1iru s VAL 114 CO 0.02 0.39 0.12 -1.81 0.00 0.00 0.00 175.10 173.82 1iru s ASP 115 N 0.20 4.89 0.00 3.32 1.01 -0.22 -1.96 116.67 123.90 1iru s ASP 115 Ca -0.07 -0.58 0.27 0.00 0.71 0.00 0.00 52.55 52.89 1iru s ASP 115 Cb -0.12 -0.95 0.93 0.00 1.01 0.00 0.00 42.92 43.79 1iru s ASP 115 CO 0.03 -0.14 1.67 -1.54 0.21 0.00 0.00 175.17 175.40 1iru n SER 116 N -1.09 1.24 0.12 0.27 3.41 -0.90 -2.89 113.62 113.79 1iru n SER 116 Ca -0.05 -1.19 0.12 0.00 -0.26 0.00 0.00 58.87 57.48 1iru n SER 116 Cb 0.59 0.06 0.09 0.00 -0.26 0.00 0.00 64.21 64.69 1iru n SER 116 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1iru h GLU 117 N 1.77 0.00 0.00 4.33 4.39 -1.91 -3.43 114.58 119.73 1iru h GLU 117 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1iru h GLU 117 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1iru h GLU 117 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1iru n GLY 118 N 1.20 1.26 3.76 -3.84 0.00 -1.14 -5.04 105.19 101.39 1iru n GLY 118 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1iru n GLY 118 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iru s ASN 119 N -1.73 5.41 -0.29 1.61 0.01 -1.26 -4.81 114.94 113.88 1iru s ASN 119 Ca 0.00 2.25 -0.00 0.00 -0.71 0.00 0.00 52.86 54.40 1iru s ASN 119 Cb 0.00 -2.59 0.19 0.00 0.41 0.00 0.00 41.25 39.27 1iru s ASN 119 CO 0.00 -1.44 0.72 -0.60 -1.51 0.00 0.00 177.10 174.27 1iru s ARG 120 N -3.39 0.45 0.01 -0.60 3.52 -1.23 -1.05 118.95 116.66 1iru s ARG 120 Ca 0.74 0.56 0.00 0.00 -0.13 0.00 0.00 55.73 56.91 1iru s ARG 120 Cb -0.26 0.28 -0.01 0.00 -1.56 0.00 0.00 34.95 33.40 1iru s ARG 120 CO 0.31 -0.73 -0.02 0.96 -0.81 0.00 0.00 175.30 175.01 1iru s ILE 121 N 2.87 0.08 0.08 4.11 -4.36 -0.44 -4.94 121.20 118.60 1iru s ILE 121 Ca 0.15 -0.60 -0.15 0.00 -0.26 0.00 0.00 60.65 59.79 1iru s ILE 121 Cb -0.10 -0.18 -0.06 0.00 1.25 0.00 0.00 42.46 43.37 1iru s ILE 121 CO -0.23 -0.33 0.49 -0.55 0.24 0.00 0.00 174.94 174.57 1iru s SER 122 N -0.96 6.83 0.22 4.36 0.15 -1.26 -0.30 113.70 122.74 1iru s SER 122 Ca -0.10 1.03 -0.23 0.00 0.70 0.00 0.00 55.95 57.35 1iru s SER 122 Cb -0.07 -2.27 0.04 0.00 -1.71 0.00 0.00 66.02 62.01 1iru s SER 122 CO -0.01 0.20 0.75 -0.83 1.20 0.00 0.00 173.24 174.55 1iru s GLY 123 N -1.45 -0.25 -0.05 9.45 0.00 -1.05 -4.98 107.32 108.98 1iru s GLY 123 Ca 0.32 0.01 -0.26 0.00 0.00 0.00 0.00 44.72 44.79 1iru s GLY 123 CO 0.18 0.00 1.11 0.00 0.00 0.00 0.00 173.10 174.39 1iru h ALA 124 N 2.00 -0.02 -3.02 3.20 0.00 -1.93 -3.42 119.26 116.08 1iru h ALA 124 Ca -0.23 -0.31 -0.27 0.00 0.00 0.00 0.00 54.91 54.10 1iru h ALA 124 Cb 1.26 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.85 1iru h ALA 124 CO 0.27 -0.19 -0.73 0.95 0.00 0.00 0.00 179.25 179.55 1iru s THR 125 N -3.68 0.58 -0.13 0.00 -4.23 -1.26 -1.24 115.64 105.67 1iru s THR 125 Ca -0.16 -1.22 -0.16 0.00 -1.18 0.00 0.00 61.69 58.96 1iru s THR 125 Cb 0.00 -0.79 0.04 0.00 1.34 0.00 0.00 72.50 73.09 1iru s THR 125 CO 0.66 -0.46 0.43 -0.36 -0.54 0.00 0.00 174.62 174.35 1iru s PHE 126 N -1.74 -0.44 -0.03 3.99 2.99 0.21 -4.98 117.98 117.99 1iru s PHE 126 Ca -0.06 1.01 0.04 0.00 0.00 0.00 0.00 56.93 57.91 1iru s PHE 126 Cb -0.08 0.17 -0.00 0.00 0.00 0.00 0.00 43.02 43.11 1iru s PHE 126 CO -0.00 -0.28 -0.13 0.45 -0.00 0.00 0.00 175.22 175.26 1iru s SER 127 N -0.12 1.63 0.00 1.36 0.15 -1.26 -1.34 113.70 114.12 1iru s SER 127 Ca -0.03 -0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.37 1iru s SER 127 Cb -0.03 -0.36 -0.00 0.00 -1.71 0.00 0.00 66.02 63.92 1iru s SER 127 CO 0.02 0.13 -0.04 -0.69 1.20 0.00 0.00 173.24 173.86 1iru s VAL 128 N -0.03 0.28 0.00 4.45 1.01 0.03 -4.90 120.40 121.24 1iru s VAL 128 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1iru s VAL 128 Cb -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.05 1iru s VAL 128 CO 0.01 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1iru n GLY 129 N 2.86 2.83 0.30 4.51 0.00 -1.26 -0.09 105.19 114.35 1iru n GLY 129 Ca -0.13 -2.01 0.06 0.00 0.00 0.00 0.00 46.02 43.93 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 0.36 -0.22 1.61 4.64 -1.46 -1.23 113.55 117.24 1iru h SER 130 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1iru h SER 130 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1iru h SER 130 CO 0.00 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 1iru n GLY 131 N -1.50 0.61 0.25 -0.77 0.00 -0.72 -4.49 105.19 98.56 1iru n GLY 131 Ca 0.03 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 1iru n GLY 131 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iru h SER 132 N 2.67 -0.66 -1.16 1.61 4.64 -1.42 -1.65 113.55 117.58 1iru h SER 132 Ca 0.00 0.12 0.33 0.00 -0.47 0.00 0.00 61.79 61.78 1iru h SER 132 Cb 0.59 0.32 -0.09 0.00 -0.31 0.00 0.00 62.40 62.90 1iru h SER 132 CO 0.00 -0.25 0.77 -0.37 -0.87 0.00 0.00 176.83 176.11 1iru h VAL 133 N -0.21 0.39 0.05 0.95 -1.51 -1.80 0.14 116.25 114.25 1iru h VAL 133 Ca 0.13 -0.08 -0.00 0.00 -1.23 0.00 0.00 66.70 65.52 1iru h VAL 133 Cb 0.41 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 29.71 1iru h VAL 133 CO -0.35 0.04 -0.02 1.88 -1.23 0.00 0.00 177.57 177.89 1iru h TYR 134 N 0.23 -0.06 -0.88 5.19 0.99 -1.65 -2.87 116.97 117.92 1iru h TYR 134 Ca 0.65 -0.00 0.08 0.00 2.00 0.00 0.00 58.73 61.47 1iru h TYR 134 Cb 1.98 0.02 -0.07 0.00 1.00 0.00 0.00 36.73 39.66 1iru h TYR 134 CO -0.00 0.48 0.53 0.00 -0.00 0.00 0.00 178.16 179.18 1iru h ALA 135 N 0.20 1.25 -0.41 3.88 0.00 -0.59 -0.70 119.26 122.89 1iru h ALA 135 Ca -0.01 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1iru h ALA 135 Cb 0.58 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1iru h ALA 135 CO 0.01 0.22 0.00 1.88 0.00 0.00 0.00 179.25 181.36 1iru h TYR 136 N 0.93 -0.02 -0.34 0.00 -1.99 -0.83 -0.07 116.97 114.65 1iru h TYR 136 Ca 0.41 0.03 0.04 0.00 2.00 0.00 0.00 58.73 61.21 1iru h TYR 136 Cb 0.29 0.07 -0.06 0.00 2.00 0.00 0.00 36.73 39.02 1iru h TYR 136 CO -0.04 -0.08 -0.43 0.78 -0.00 0.00 0.00 178.16 178.39 1iru h GLY 137 N 0.11 -1.23 1.32 3.88 0.00 -0.89 0.56 103.07 106.83 1iru h GLY 137 Ca 0.20 0.75 -0.14 0.00 0.00 0.00 0.00 47.33 48.15 1iru h GLY 137 CO -0.33 -0.26 -0.35 -0.39 0.00 0.00 0.00 176.54 175.21 1iru h VAL 138 N -0.30 1.28 -0.20 4.60 -1.51 -1.38 -2.82 116.25 115.93 1iru h VAL 138 Ca 0.06 -1.51 -0.02 0.00 -1.23 0.00 0.00 66.70 64.00 1iru h VAL 138 Cb 0.45 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 31.01 1iru h VAL 138 CO -0.47 0.49 0.05 -0.03 -1.23 0.00 0.00 177.57 176.38 1iru h MET 139 N 0.63 0.31 -0.86 5.19 -1.53 -0.56 -2.84 114.93 115.27 1iru h MET 139 Ca 0.06 -0.07 0.03 0.00 -3.44 0.00 0.00 59.70 56.28 1iru h MET 139 Cb 0.89 -0.04 -0.05 0.00 -0.55 0.00 0.00 31.60 31.85 1iru h MET 139 CO 0.08 0.44 0.57 -0.44 0.14 0.00 0.00 176.91 177.69 1iru h ASP 140 N 0.13 0.93 -2.08 1.39 3.45 0.12 -1.15 116.42 119.21 1iru h ASP 140 Ca 0.06 -0.01 -0.73 0.00 0.43 0.00 0.00 57.03 56.78 1iru h ASP 140 Cb 0.26 -0.22 -0.17 0.00 -0.56 0.00 0.00 39.33 38.64 1iru h ASP 140 CO 0.00 0.64 1.41 -0.13 -1.57 0.00 0.00 179.24 179.59 1iru s ARG 141 N -5.92 4.08 0.00 3.56 1.81 -1.07 -3.54 118.95 117.87 1iru s ARG 141 Ca -0.12 -2.53 0.00 0.00 -1.72 0.00 0.00 55.73 51.37 1iru s ARG 141 Cb 0.19 -5.09 0.00 0.00 -0.45 0.00 0.00 34.95 29.59 1iru s ARG 141 CO 0.80 -1.80 0.00 0.41 -0.68 0.00 0.00 175.30 174.02 1iru n GLY 142 N 4.22 0.42 3.73 -3.53 0.00 -1.18 -4.83 105.19 104.02 1iru n GLY 142 Ca 0.37 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 1iru n GLY 142 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1iru s TYR 143 N 0.00 3.64 -0.10 1.61 5.04 -0.44 -5.03 117.35 122.06 1iru s TYR 143 Ca 0.00 1.33 -0.06 0.00 -2.44 0.00 0.00 57.07 55.91 1iru s TYR 143 Cb 0.00 -2.81 0.04 0.00 0.35 0.00 0.00 41.96 39.54 1iru s TYR 143 CO 0.00 0.16 0.24 0.45 -1.34 0.00 0.00 175.55 175.06 1iru s SER 144 N 0.48 -0.25 0.65 4.32 0.15 -1.26 -5.02 113.70 112.77 1iru s SER 144 Ca 0.38 0.50 0.41 0.00 0.70 0.00 0.00 55.95 57.95 1iru s SER 144 Cb -0.19 0.41 2.31 0.00 -1.71 0.00 0.00 66.02 66.84 1iru s SER 144 CO 0.20 -0.14 2.35 0.22 1.20 0.00 0.00 173.24 177.07 1iru h TYR 145 N 6.87 0.00 -0.53 3.44 3.20 -1.96 -1.46 116.97 126.53 1iru h TYR 145 Ca -0.37 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.50 1iru h TYR 145 Cb 1.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1iru h TYR 145 CO 0.37 0.00 0.00 -0.25 -1.64 0.00 0.00 178.16 176.64 1iru n ASP 146 N -3.26 3.55 -4.74 -2.11 8.00 -1.26 -1.20 116.55 115.53 1iru n ASP 146 Ca -0.03 -2.23 -0.38 0.00 0.71 0.00 0.00 54.79 52.86 1iru n ASP 146 Cb 0.07 -0.46 0.05 0.00 -0.02 0.00 0.00 41.12 40.76 1iru n ASP 146 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1iru s LEU 147 N -1.36 3.72 0.31 0.64 1.43 -0.55 -4.97 118.68 117.90 1iru s LEU 147 Ca 0.39 2.70 -0.23 0.00 -1.03 0.00 0.00 54.13 55.96 1iru s LEU 147 Cb 0.24 -4.44 -0.10 0.00 0.03 0.00 0.00 46.19 41.93 1iru s LEU 147 CO 0.21 -1.77 0.87 -1.61 0.23 0.00 0.00 176.35 174.28 1iru s GLU 148 N -3.13 4.40 0.17 1.70 2.02 -1.26 -4.72 118.70 117.88 1iru s GLU 148 Ca 0.77 1.12 -0.25 0.00 0.02 0.00 0.00 54.97 56.63 1iru s GLU 148 Cb -0.39 -2.71 0.04 0.00 0.10 0.00 0.00 34.13 31.17 1iru s GLU 148 CO 0.44 0.26 1.46 0.28 0.02 0.00 0.00 175.26 177.71 1iru n VAL 149 N 0.37 -0.59 0.31 2.63 0.31 -1.26 0.11 118.33 120.22 1iru n VAL 149 Ca 0.02 2.26 0.14 0.00 -0.01 0.00 0.00 64.34 66.74 1iru n VAL 149 Cb 0.51 -2.86 0.61 0.00 -0.91 0.00 0.00 33.84 31.20 1iru n VAL 149 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1iru h GLU 150 N 0.00 0.00 0.09 5.55 3.07 -2.00 -1.93 114.58 119.36 1iru h GLU 150 Ca 0.21 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.95 1iru h GLU 150 Cb 0.45 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.37 1iru h GLU 150 CO -0.90 0.00 -0.53 1.96 -1.40 0.00 0.00 179.01 178.13 1iru h GLN 151 N 0.00 0.20 -0.94 2.33 4.20 0.42 -3.17 115.11 118.16 1iru h GLN 151 Ca 0.00 -0.34 0.04 0.00 0.06 0.00 0.00 58.65 58.42 1iru h GLN 151 Cb 0.27 0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.12 1iru h GLN 151 CO 0.00 1.16 0.61 0.00 -0.67 0.00 0.00 178.83 179.93 1iru h ALA 152 N 0.06 1.43 -0.46 3.87 0.00 -0.41 -1.86 119.26 121.89 1iru h ALA 152 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1iru h ALA 152 Cb 1.41 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1iru h ALA 152 CO 0.10 0.47 0.29 1.88 0.00 0.00 0.00 179.25 181.99 1iru h TYR 153 N 1.14 0.59 -0.34 0.00 -1.99 -1.45 -2.43 116.97 112.50 1iru h TYR 153 Ca 0.38 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 61.09 1iru h TYR 153 Cb 0.07 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.59 1iru h TYR 153 CO -0.00 0.39 0.11 -0.44 -0.00 0.00 0.00 178.16 178.22 1iru h ASP 154 N 0.61 0.49 0.23 3.88 5.19 -1.37 -1.93 116.42 123.51 1iru h ASP 154 Ca 0.17 -0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 1iru h ASP 154 Cb -0.04 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.33 1iru h ASP 154 CO -0.03 0.56 -0.26 0.25 -3.12 0.00 0.00 179.24 176.63 1iru h LEU 155 N 0.39 -0.73 -0.38 1.55 5.85 -1.22 0.21 115.31 120.98 1iru h LEU 155 Ca 0.11 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.97 1iru h LEU 155 Cb 0.24 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.43 1iru h LEU 155 CO -0.00 -0.33 -0.34 0.00 -0.34 0.00 0.00 178.44 177.42 1iru h ALA 156 N -1.28 -0.23 -0.42 1.25 0.00 -1.49 0.39 119.26 117.48 1iru h ALA 156 Ca -0.03 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1iru h ALA 156 Cb 0.44 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1iru h ALA 156 CO -0.05 -0.75 0.29 -0.09 0.00 0.00 0.00 179.25 178.65 1iru h ARG 157 N -0.28 0.32 0.04 0.00 2.43 -1.26 -1.72 114.38 113.91 1iru h ARG 157 Ca 0.16 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1iru h ARG 157 Cb 0.55 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1iru h ARG 157 CO -0.53 0.21 -0.02 -0.09 -1.51 0.00 0.00 179.97 178.04 1iru h ARG 158 N 0.33 -0.05 -0.23 0.20 2.43 0.23 -2.80 114.38 114.48 1iru h ARG 158 Ca 0.19 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1iru h ARG 158 Cb 0.32 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.80 1iru h ARG 158 CO -0.04 0.57 -0.39 0.00 -1.51 0.00 0.00 179.97 178.59 1iru h ALA 159 N 0.16 -0.46 -0.76 2.80 0.00 0.08 0.10 119.26 121.18 1iru h ALA 159 Ca -0.01 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1iru h ALA 159 Cb 0.64 0.77 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 1iru h ALA 159 CO 0.01 -0.86 0.41 0.82 0.00 0.00 0.00 179.25 179.63 1iru h ILE 160 N -0.41 0.89 -0.03 0.00 1.08 -1.42 -1.82 117.51 115.80 1iru h ILE 160 Ca 0.11 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1iru h ILE 160 Cb 0.59 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 34.46 1iru h ILE 160 CO -0.45 0.13 0.01 0.22 -0.69 0.00 0.00 178.15 177.37 1iru h TYR 161 N 0.71 0.02 -0.76 1.37 3.20 -0.85 -1.09 116.97 119.56 1iru h TYR 161 Ca 0.37 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.34 1iru h TYR 161 Cb 0.34 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 1iru h TYR 161 CO -0.08 0.01 0.50 1.96 -1.64 0.00 0.00 178.16 178.91 1iru h GLN 162 N 0.02 0.64 -0.05 1.82 1.08 -0.36 -1.32 115.11 116.95 1iru h GLN 162 Ca 0.01 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1iru h GLN 162 Cb 0.01 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.29 1iru h GLN 162 CO -0.01 0.42 -0.03 0.00 -0.95 0.00 0.00 178.83 178.26 1iru h ALA 163 N 1.62 0.07 -0.01 3.87 0.00 -0.82 -2.06 119.26 121.92 1iru h ALA 163 Ca 0.36 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1iru h ALA 163 Cb 0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1iru h ALA 163 CO -0.13 -0.18 0.35 1.79 0.00 0.00 0.00 179.25 181.07 1iru h THR 164 N -0.30 0.01 0.16 0.00 1.35 -0.10 0.67 112.91 114.71 1iru h THR 164 Ca 0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.86 1iru h THR 164 Cb 0.48 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1iru h THR 164 CO 0.01 0.00 -0.08 0.22 -0.25 0.00 0.00 175.52 175.42 1iru h TYR 165 N 0.00 -0.20 0.16 4.73 3.20 -0.68 -3.40 116.97 120.78 1iru h TYR 165 Ca 0.01 -0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.63 1iru h TYR 165 Cb 0.70 0.07 0.02 0.00 1.54 0.00 0.00 36.73 39.05 1iru h TYR 165 CO 0.00 0.17 -1.10 0.00 -1.64 0.00 0.00 178.16 175.59 1iru h ARG 166 N -0.95 0.34 -6.15 1.82 2.47 -0.95 -3.45 114.38 107.51 1iru h ARG 166 Ca -0.02 -0.58 -0.57 0.00 -1.26 0.00 0.00 59.98 57.55 1iru h ARG 166 Cb 0.46 0.22 -0.05 0.00 -1.65 0.00 0.00 29.97 28.95 1iru h ARG 166 CO 0.04 1.28 0.74 0.34 0.56 0.00 0.00 179.97 182.92 1iru s ASP 167 N -7.12 7.12 0.54 7.04 2.15 0.10 -4.92 116.67 121.59 1iru s ASP 167 Ca -0.14 1.48 0.33 0.00 0.43 0.00 0.00 52.55 54.65 1iru s ASP 167 Cb 0.02 -2.55 1.40 0.00 -0.30 0.00 0.00 42.92 41.50 1iru s ASP 167 CO 0.84 -0.61 2.00 0.00 -0.17 0.00 0.00 175.17 177.23 1iru h ALA 168 N 7.43 1.02 -0.60 3.66 0.00 -1.86 -2.95 119.26 125.94 1iru h ALA 168 Ca -0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1iru h ALA 168 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1iru h ALA 168 CO 0.94 0.05 0.00 0.66 0.00 0.00 0.00 179.25 180.90 1iru n TYR 169 N -3.17 0.82 -5.16 0.00 4.02 -1.26 -4.86 117.16 107.54 1iru n TYR 169 Ca 0.00 -0.41 -0.30 0.00 -0.01 0.00 0.00 57.90 57.19 1iru n TYR 169 Cb 0.30 -0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.45 1iru n TYR 169 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1iru s SER 170 N -1.00 2.81 0.00 7.72 0.01 -1.12 -0.19 113.70 121.93 1iru s SER 170 Ca 0.40 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1iru s SER 170 Cb 0.21 -0.61 0.00 0.00 0.21 0.00 0.00 66.02 65.83 1iru s SER 170 CO 0.27 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.78 1iru n GLY 171 N 2.82 -0.63 3.20 3.44 0.00 -1.26 -4.46 105.19 108.29 1iru n GLY 171 Ca -0.17 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 1.50 3.61 -0.02 0.00 -1.26 -1.46 105.19 107.55 1iru n GLY 172 Ca 0.00 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 1iru n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iru s ALA 173 N -1.97 3.09 -0.25 4.61 0.00 -1.26 -1.20 121.76 124.78 1iru s ALA 173 Ca 0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 51.96 50.20 1iru s ALA 173 Cb 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.49 1iru s ALA 173 CO 0.00 0.25 -0.02 0.08 0.00 0.00 0.00 175.76 176.07 1iru s VAL 174 N -2.38 3.36 0.08 0.00 1.01 0.20 -2.89 120.40 119.78 1iru s VAL 174 Ca 0.32 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 1iru s VAL 174 Cb -0.06 -2.64 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 1iru s VAL 174 CO 0.19 0.26 0.45 0.20 0.00 0.00 0.00 175.10 176.20 1iru s ASN 175 N 1.43 6.76 -0.03 3.32 0.01 -0.35 -1.79 114.94 124.29 1iru s ASN 175 Ca 0.03 0.94 -0.01 0.00 -0.71 0.00 0.00 52.86 53.11 1iru s ASN 175 Cb -0.16 -2.24 0.03 0.00 0.41 0.00 0.00 41.25 39.29 1iru s ASN 175 CO -0.02 0.20 0.06 -0.22 -1.51 0.00 0.00 177.10 175.61 1iru s LEU 176 N -1.66 1.15 0.10 0.60 2.96 -0.62 -1.81 118.68 119.39 1iru s LEU 176 Ca 0.32 0.12 0.06 0.00 -0.22 0.00 0.00 54.13 54.41 1iru s LEU 176 Cb -0.15 0.10 -0.03 0.00 0.50 0.00 0.00 46.19 46.60 1iru s LEU 176 CO 0.17 -0.11 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.62 1iru s TYR 177 N 0.87 1.46 -0.09 5.38 1.51 0.97 -1.80 117.35 125.65 1iru s TYR 177 Ca -0.07 -0.49 0.01 0.00 -1.01 0.00 0.00 57.07 55.51 1iru s TYR 177 Cb -0.10 -0.78 0.02 0.00 -0.11 0.00 0.00 41.96 40.99 1iru s TYR 177 CO -0.03 0.14 -0.10 -1.58 -1.11 0.00 0.00 175.55 172.87 1iru s HIS 178 N -1.64 1.49 -0.44 2.71 2.46 -0.09 -1.58 115.29 118.19 1iru s HIS 178 Ca 0.05 -0.64 -0.15 0.00 0.47 0.00 0.00 55.06 54.79 1iru s HIS 178 Cb -0.08 -1.15 0.05 0.00 -0.13 0.00 0.00 32.58 31.27 1iru s HIS 178 CO 0.03 -0.39 0.35 0.08 -2.47 0.00 0.00 174.74 172.34 1iru s VAL 179 N 1.12 5.18 0.17 0.89 1.01 -0.09 0.50 120.40 129.19 1iru s VAL 179 Ca -0.06 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.06 1iru s VAL 179 Cb -0.14 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1iru s VAL 179 CO -0.02 -0.46 0.11 -0.13 0.00 0.00 0.00 175.10 174.60 1iru s ARG 180 N 1.65 2.81 0.36 2.72 0.52 0.10 -2.74 118.95 124.36 1iru s ARG 180 Ca 0.04 -0.93 0.18 0.00 -0.52 0.00 0.00 55.73 54.51 1iru s ARG 180 Cb -0.22 -2.59 1.27 0.00 0.52 0.00 0.00 34.95 33.93 1iru s ARG 180 CO 0.08 0.47 1.57 -1.91 0.02 0.00 0.00 175.30 175.53 1iru n GLU 181 N -0.36 -0.06 0.14 3.54 2.13 -1.26 -1.33 120.64 123.44 1iru n GLU 181 Ca -0.08 1.39 -0.07 0.00 0.66 0.00 0.00 57.16 59.05 1iru n GLU 181 Cb 0.55 -2.45 -0.03 0.00 0.27 0.00 0.00 31.44 29.78 1iru n GLU 181 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 1iru h ASP 182 N 0.00 -0.37 -1.45 4.31 -0.00 -1.96 -3.47 116.42 113.48 1iru h ASP 182 Ca 0.81 0.01 -0.01 0.00 -0.00 0.00 0.00 57.03 57.85 1iru h ASP 182 Cb 2.11 0.10 0.00 0.00 -0.00 0.00 0.00 39.33 41.53 1iru h ASP 182 CO -0.79 0.01 0.06 0.61 -0.00 0.00 0.00 179.24 179.13 1iru n GLY 183 N 0.56 1.80 3.93 7.15 0.00 -0.44 -4.87 105.19 113.32 1iru n GLY 183 Ca -0.05 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.62 1iru n GLY 183 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1iru s TRP 184 N -7.43 3.49 0.03 1.61 1.48 -1.14 -0.73 118.94 116.25 1iru s TRP 184 Ca 0.04 0.26 0.06 0.00 -1.06 0.00 0.00 56.10 55.40 1iru s TRP 184 Cb -0.01 -1.79 -0.02 0.00 -1.16 0.00 0.00 33.47 30.49 1iru s TRP 184 CO 0.03 0.44 -0.17 0.42 -4.06 0.00 0.00 176.95 173.60 1iru s ILE 185 N -1.80 1.39 -1.03 0.66 1.01 0.18 -4.93 121.20 116.67 1iru s ILE 185 Ca 0.37 -1.02 -0.17 0.00 0.00 0.00 0.00 60.65 59.83 1iru s ILE 185 Cb -0.11 -1.21 0.14 0.00 0.01 0.00 0.00 42.46 41.29 1iru s ILE 185 CO 0.29 0.17 1.25 -0.60 0.00 0.00 0.00 174.94 176.05 1iru s ARG 186 N -0.98 3.78 0.00 2.79 3.52 -1.26 -0.91 118.95 125.88 1iru s ARG 186 Ca 0.05 -2.04 0.00 0.00 -0.13 0.00 0.00 55.73 53.61 1iru s ARG 186 Cb -0.08 -4.99 0.00 0.00 -1.56 0.00 0.00 34.95 28.32 1iru s ARG 186 CO 0.01 -1.79 0.67 0.28 -0.81 0.00 0.00 175.30 173.67 1iru n VAL 187 N 5.23 0.00 -4.23 7.11 0.31 -0.74 -4.92 118.33 121.08 1iru n VAL 187 Ca 0.29 1.17 -0.16 0.00 -0.01 0.00 0.00 64.34 65.64 1iru n VAL 187 Cb 0.47 -1.82 -0.09 0.00 -0.91 0.00 0.00 33.84 31.49 1iru n VAL 187 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1iru s SER 188 N -2.70 0.94 -0.34 4.52 1.04 -1.15 -5.01 113.70 110.99 1iru s SER 188 Ca 0.00 -1.57 0.07 0.00 0.48 0.00 0.00 55.95 54.93 1iru s SER 188 Cb 0.00 0.48 0.19 0.00 0.10 0.00 0.00 66.02 66.80 1iru s SER 188 CO 0.00 -0.98 0.61 -0.44 0.98 0.00 0.00 173.24 173.41 1iru s SER 189 N -3.27 -1.58 -0.05 7.02 0.01 -1.26 -1.59 113.70 112.98 1iru s SER 189 Ca 0.39 -0.24 0.06 0.00 1.31 0.00 0.00 55.95 57.48 1iru s SER 189 Cb 0.04 2.00 -0.01 0.00 0.21 0.00 0.00 66.02 68.26 1iru s SER 189 CO 0.20 -0.24 -0.24 -1.81 0.41 0.00 0.00 173.24 171.56 1iru s ASP 190 N 2.40 2.95 0.96 2.44 1.11 -0.74 -4.89 116.67 120.89 1iru s ASP 190 Ca 0.13 -0.49 -0.12 0.00 0.18 0.00 0.00 52.55 52.26 1iru s ASP 190 Cb -0.07 -0.74 0.11 0.00 1.07 0.00 0.00 42.92 43.28 1iru s ASP 190 CO -0.18 0.24 0.79 -3.20 1.18 0.00 0.00 175.17 174.01 1iru n ASN 191 N 2.90 -0.88 0.08 0.27 2.85 -1.26 0.58 115.26 119.81 1iru n ASN 191 Ca -0.17 0.33 -0.03 0.00 -0.11 0.00 0.00 54.58 54.60 1iru n ASN 191 Cb 0.52 -1.34 -0.06 0.00 1.24 0.00 0.00 39.78 40.14 1iru n ASN 191 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1iru h VAL 192 N -1.82 1.18 0.09 3.44 2.07 -1.50 -2.76 116.25 116.95 1iru h VAL 192 Ca -0.45 -2.74 0.01 0.00 0.82 0.00 0.00 66.70 64.35 1iru h VAL 192 Cb 1.28 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 33.59 1iru h VAL 192 CO 0.39 0.67 -0.14 0.00 0.02 0.00 0.00 177.57 178.50 1iru h ALA 193 N 1.24 -0.24 0.87 1.67 0.00 -1.91 -1.51 119.26 119.39 1iru h ALA 193 Ca -0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1iru h ALA 193 Cb 1.62 0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.64 1iru h ALA 193 CO 0.09 -0.66 -0.43 -0.44 0.00 0.00 0.00 179.25 177.81 1iru h ASP 194 N -0.29 -1.02 -0.84 0.00 3.32 -1.93 -2.69 116.42 112.97 1iru h ASP 194 Ca 0.02 0.04 0.24 0.00 0.02 0.00 0.00 57.03 57.35 1iru h ASP 194 Cb 0.30 0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 1iru h ASP 194 CO -0.08 -0.72 1.00 -0.07 -1.72 0.00 0.00 179.24 177.65 1iru h LEU 195 N -1.18 0.00 0.03 1.55 3.38 -1.35 0.48 115.31 118.22 1iru h LEU 195 Ca -0.12 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1iru h LEU 195 Cb 0.91 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.67 1iru h LEU 195 CO 0.19 0.00 -0.44 -0.74 0.09 0.00 0.00 178.44 177.54 1iru h HIS 196 N 0.00 0.38 0.00 1.13 2.76 -0.95 -2.30 115.15 116.17 1iru h HIS 196 Ca 0.40 -0.23 -0.30 0.00 -2.20 0.00 0.00 60.37 58.04 1iru h HIS 196 Cb 2.39 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 31.27 1iru h HIS 196 CO 0.00 1.08 0.63 0.39 -1.30 0.00 0.00 177.93 178.73 1iru n GLU 197 N -4.36 2.39 0.03 5.26 1.02 0.17 -2.67 120.64 122.49 1iru n GLU 197 Ca -0.11 -1.28 0.00 0.00 -0.02 0.00 0.00 57.16 55.75 1iru n GLU 197 Cb 0.62 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 1iru n GLU 197 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1iru n LYS 198 N 2.76 0.00 0.23 3.49 4.81 -1.23 -4.45 118.16 123.78 1iru n LYS 198 Ca 0.51 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 58.11 1iru n LYS 198 Cb 0.75 0.00 0.75 0.00 0.02 0.00 0.00 35.03 36.55 1iru n LYS 198 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1iru h TYR 199 N 0.00 0.00 0.00 5.64 -1.99 -1.29 -3.29 116.97 116.04 1iru h TYR 199 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1iru h TYR 199 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1iru h TYR 199 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 178.16 178.61 1iru n SER 200 N -2.69 0.00 0.00 3.88 2.88 -1.09 -5.10 113.62 111.50 1iru n SER 200 Ca -0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.62 1iru n SER 200 Cb 0.17 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 64.14 1iru n SER 200 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42