#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 0.29 0.01 12.58 2.01 -1.26 -0.10 115.64 129.17 1iru s THR 2 Ca 0.00 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.18 1iru s THR 2 Cb 0.00 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 1iru s THR 2 CO 0.00 0.24 -0.06 0.27 -0.69 0.00 0.00 174.62 174.38 1iru s ILE 3 N 1.94 0.44 0.22 1.82 -4.36 -1.00 -1.87 121.20 118.39 1iru s ILE 3 Ca 0.04 -0.47 -0.16 0.00 -0.26 0.00 0.00 60.65 59.80 1iru s ILE 3 Cb -0.12 -0.42 0.02 0.00 1.25 0.00 0.00 42.46 43.18 1iru s ILE 3 CO -0.05 -0.03 0.52 0.00 0.24 0.00 0.00 174.94 175.62 1iru s ALA 4 N -0.49 -0.74 0.01 2.27 0.00 -1.12 -1.47 121.76 120.22 1iru s ALA 4 Ca -0.02 -0.44 -0.18 0.00 0.00 0.00 0.00 51.96 51.31 1iru s ALA 4 Cb -0.04 0.91 0.03 0.00 0.00 0.00 0.00 23.12 24.02 1iru s ALA 4 CO -0.00 -0.84 0.40 0.20 0.00 0.00 0.00 175.76 175.52 1iru s GLY 5 N -2.92 -0.26 0.05 0.00 0.00 -0.74 0.31 107.32 103.76 1iru s GLY 5 Ca 0.13 0.45 0.01 0.00 0.00 0.00 0.00 44.72 45.31 1iru s GLY 5 CO 0.02 0.20 -0.05 0.54 0.00 0.00 0.00 173.10 173.81 1iru s VAL 6 N -1.81 0.38 -0.29 1.40 0.11 -0.30 -1.76 120.40 118.12 1iru s VAL 6 Ca -0.10 -1.37 -0.06 0.00 -2.93 0.00 0.00 61.98 57.53 1iru s VAL 6 Cb -0.02 -0.93 0.01 0.00 -1.53 0.00 0.00 36.38 33.91 1iru s VAL 6 CO 0.02 -0.65 0.06 -0.69 -3.33 0.00 0.00 175.10 170.51 1iru s VAL 7 N -2.43 3.77 0.48 2.04 1.01 0.16 -2.08 120.40 123.35 1iru s VAL 7 Ca -0.03 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.22 1iru s VAL 7 Cb -0.03 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 1iru s VAL 7 CO -0.03 0.08 0.20 -0.72 0.00 0.00 0.00 175.10 174.63 1iru s TYR 8 N 1.46 2.09 0.32 5.22 -0.85 -0.55 -4.44 117.35 120.60 1iru s TYR 8 Ca 0.02 -0.77 0.05 0.00 -0.52 0.00 0.00 57.07 55.85 1iru s TYR 8 Cb -0.17 -1.85 0.84 0.00 0.38 0.00 0.00 41.96 41.16 1iru s TYR 8 CO 0.01 -0.01 1.58 1.57 -1.52 0.00 0.00 175.55 177.18 1iru h LYS 9 N 1.19 0.02 0.00 -3.49 5.09 -1.57 -2.45 116.57 115.36 1iru h LYS 9 Ca -0.41 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.33 1iru h LYS 9 Cb 1.28 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 33.61 1iru h LYS 9 CO 0.67 0.01 -1.10 -0.25 -2.09 0.00 0.00 179.45 176.70 1iru n ASP 10 N -5.43 0.83 0.00 7.07 8.00 -1.26 -5.03 116.55 120.72 1iru n ASP 10 Ca 0.25 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 55.06 1iru n ASP 10 Cb 0.83 1.21 0.00 0.00 -0.02 0.00 0.00 41.12 43.15 1iru n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iru n GLY 11 N 1.43 -0.50 3.04 0.44 0.00 -0.92 -3.09 105.19 105.58 1iru n GLY 11 Ca 0.02 0.32 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 1iru n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iru s ILE 12 N 0.00 0.11 -0.06 -0.61 1.01 0.93 -1.48 121.20 121.10 1iru s ILE 12 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1iru s ILE 12 Cb 0.00 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 42.06 1iru s ILE 12 CO 0.00 -0.49 -0.12 -0.69 0.00 0.00 0.00 174.94 173.64 1iru s VAL 13 N -1.63 1.12 -0.06 2.92 1.01 -0.88 -0.50 120.40 122.37 1iru s VAL 13 Ca -0.14 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1iru s VAL 13 Cb -0.08 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1iru s VAL 13 CO -0.01 0.35 -0.20 -0.76 0.00 0.00 0.00 175.10 174.48 1iru s LEU 14 N 0.64 2.35 0.42 3.92 1.43 0.58 -1.15 118.68 126.86 1iru s LEU 14 Ca -0.14 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.64 1iru s LEU 14 Cb -0.15 -1.46 -0.07 0.00 0.03 0.00 0.00 46.19 44.54 1iru s LEU 14 CO 0.04 0.27 0.06 -0.83 0.23 0.00 0.00 176.35 176.11 1iru s GLY 15 N -0.29 2.49 0.00 -3.19 0.00 0.15 -1.19 107.32 105.30 1iru s GLY 15 Ca 0.01 -2.15 0.00 0.00 0.00 0.00 0.00 44.72 42.58 1iru s GLY 15 CO 0.03 -2.06 0.00 0.00 0.00 0.00 0.00 173.10 171.07 1iru n ALA 16 N -1.06 0.00 -1.11 3.20 0.00 -1.09 -2.79 120.51 117.66 1iru n ALA 16 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 1iru n ALA 16 Cb 0.66 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.20 1iru n ALA 16 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1iru n ASP 17 N 0.00 -0.96 -0.14 0.00 3.85 -0.78 -1.13 116.55 117.39 1iru n ASP 17 Ca 0.00 -0.86 0.01 0.00 -0.71 0.00 0.00 54.79 53.24 1iru n ASP 17 Cb 0.00 -0.35 0.02 0.00 -1.35 0.00 0.00 41.12 39.44 1iru n ASP 17 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1iru n THR 18 N -3.11 0.49 -3.14 2.12 -2.24 -0.97 -4.64 114.28 102.79 1iru n THR 18 Ca 0.05 -0.55 -0.38 0.00 -2.27 0.00 0.00 64.05 60.91 1iru n THR 18 Cb 0.20 0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 68.95 1iru n THR 18 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1iru s ARG 19 N -0.64 4.30 -0.05 -0.78 3.52 -1.19 0.54 118.95 124.65 1iru s ARG 19 Ca 0.05 0.88 0.02 0.00 -0.13 0.00 0.00 55.73 56.54 1iru s ARG 19 Cb 0.04 -3.08 0.01 0.00 -1.56 0.00 0.00 34.95 30.37 1iru s ARG 19 CO 0.00 0.51 -0.09 0.00 -0.81 0.00 0.00 175.30 174.92 1iru s ALA 20 N -1.31 0.98 0.04 6.12 0.00 -0.21 -4.74 121.76 122.63 1iru s ALA 20 Ca 0.37 -0.29 0.07 0.00 0.00 0.00 0.00 51.96 52.11 1iru s ALA 20 Cb -0.19 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 1iru s ALA 20 CO 0.22 0.09 -0.19 0.95 0.00 0.00 0.00 175.76 176.83 1iru s THR 21 N 0.57 1.51 -0.72 0.00 -4.23 -1.26 -0.28 115.64 111.22 1iru s THR 21 Ca -0.10 -1.10 -0.03 0.00 -1.18 0.00 0.00 61.69 59.28 1iru s THR 21 Cb -0.13 -1.31 0.18 0.00 1.34 0.00 0.00 72.50 72.58 1iru s THR 21 CO 0.02 0.18 0.56 -1.83 -0.54 0.00 0.00 174.62 173.01 1iru s GLU 22 N -1.08 2.83 4.15 3.99 -1.05 -0.07 -4.85 118.70 122.62 1iru s GLU 22 Ca 0.06 -2.79 0.00 0.00 -0.15 0.00 0.00 54.97 52.09 1iru s GLU 22 Cb -0.08 -3.82 0.00 0.00 -0.44 0.00 0.00 34.13 29.78 1iru s GLU 22 CO 0.01 -1.21 0.00 0.41 0.95 0.00 0.00 175.26 175.42 1iru n GLY 23 N 3.09 0.86 1.42 -3.83 0.00 -1.26 -3.50 105.19 101.97 1iru n GLY 23 Ca 0.13 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 45.18 1iru n GLY 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1iru n MET 24 N 7.63 2.15 -5.01 1.61 2.81 -1.26 -4.94 117.12 120.12 1iru n MET 24 Ca 0.00 -3.11 -0.27 0.00 -1.81 0.00 0.00 57.70 52.51 1iru n MET 24 Cb 0.00 -1.92 -0.16 0.00 -0.71 0.00 0.00 33.22 30.43 1iru n MET 24 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1iru s VAL 25 N -3.20 1.63 -0.31 2.03 1.01 -1.23 -5.11 120.40 115.23 1iru s VAL 25 Ca 0.48 -0.87 -0.27 0.00 0.00 0.00 0.00 61.98 61.32 1iru s VAL 25 Cb 0.42 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 35.44 1iru s VAL 25 CO 0.04 0.46 0.96 -0.69 0.00 0.00 0.00 175.10 175.87 1iru s VAL 26 N -0.38 4.64 -0.13 2.92 1.01 -1.26 -0.89 120.40 126.30 1iru s VAL 26 Ca 0.05 1.54 -0.10 0.00 0.00 0.00 0.00 61.98 63.48 1iru s VAL 26 Cb -0.09 -4.30 -0.25 0.00 0.00 0.00 0.00 36.38 31.74 1iru s VAL 26 CO -0.00 -0.37 0.36 0.00 0.00 0.00 0.00 175.10 175.09 1iru h ALA 27 N 8.05 0.39 -3.26 5.51 0.00 -0.97 -3.46 119.26 125.51 1iru h ALA 27 Ca -0.22 -1.35 -0.51 0.00 0.00 0.00 0.00 54.91 52.83 1iru h ALA 27 Cb 1.07 0.70 -0.36 0.00 0.00 0.00 0.00 17.79 19.21 1iru h ALA 27 CO 0.97 1.20 -0.80 0.34 0.00 0.00 0.00 179.25 180.95 1iru s ASP 28 N -7.03 1.97 0.12 0.00 -1.08 -0.91 -4.99 116.67 104.76 1iru s ASP 28 Ca -0.23 -0.28 0.26 0.00 -0.52 0.00 0.00 52.55 51.78 1iru s ASP 28 Cb 0.06 -0.79 0.67 0.00 -1.46 0.00 0.00 42.92 41.40 1iru s ASP 28 CO 0.74 -0.08 1.59 0.29 0.52 0.00 0.00 175.17 178.24 1iru n LYS 29 N 4.61 0.21 -3.32 4.34 5.02 -1.26 -1.04 118.16 126.71 1iru n LYS 29 Ca -0.16 0.11 -0.26 0.00 -2.02 0.00 0.00 58.31 55.99 1iru n LYS 29 Cb 0.50 -1.68 -0.09 0.00 -0.02 0.00 0.00 35.03 33.74 1iru n LYS 29 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1iru n ASN 30 N -2.01 -0.04 -4.87 4.39 4.05 -1.11 -4.34 115.26 111.32 1iru n ASN 30 Ca 0.05 -2.55 -0.33 0.00 0.45 0.00 0.00 54.58 52.20 1iru n ASN 30 Cb 0.41 -0.60 -0.05 0.00 1.23 0.00 0.00 39.78 40.77 1iru n ASN 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1iru s SER 32 N -2.06 6.25 -0.00 0.00 0.15 -1.26 -4.55 113.70 112.22 1iru s SER 32 Ca 0.41 -0.37 0.19 0.00 0.70 0.00 0.00 55.95 56.89 1iru s SER 32 Cb -0.13 -2.25 -0.22 0.00 -1.71 0.00 0.00 66.02 61.72 1iru s SER 32 CO 0.20 -0.55 0.78 0.29 1.20 0.00 0.00 173.24 175.16 1iru n LYS 33 N 5.72 0.67 -3.39 5.44 5.02 -1.26 -4.83 118.16 125.54 1iru n LYS 33 Ca -0.06 -0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.79 1iru n LYS 33 Cb 0.48 -1.41 -0.09 0.00 -0.02 0.00 0.00 35.03 33.99 1iru n LYS 33 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1iru s ILE 34 N -2.86 5.16 0.10 -0.18 1.01 -1.26 -1.24 121.20 121.93 1iru s ILE 34 Ca 0.06 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 1iru s ILE 34 Cb 0.14 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 1iru s ILE 34 CO 0.79 -0.32 0.29 -1.00 0.00 0.00 0.00 174.94 174.69 1iru s HIS 35 N 1.95 3.50 -0.14 3.97 3.76 0.34 -4.90 115.29 123.77 1iru s HIS 35 Ca 0.09 0.37 -0.22 0.00 -0.15 0.00 0.00 55.06 55.16 1iru s HIS 35 Cb -0.18 -1.86 -0.03 0.00 1.11 0.00 0.00 32.58 31.62 1iru s HIS 35 CO 0.12 0.52 0.65 0.12 -0.85 0.00 0.00 174.74 175.29 1iru s PHE 36 N -1.59 3.47 0.00 1.40 5.36 -1.26 0.41 117.98 125.76 1iru s PHE 36 Ca 0.38 1.06 0.00 0.00 -0.96 0.00 0.00 56.93 57.40 1iru s PHE 36 Cb -0.12 -2.78 0.00 0.00 -0.34 0.00 0.00 43.02 39.77 1iru s PHE 36 CO 0.27 -0.04 0.00 -0.89 -1.46 0.00 0.00 175.22 173.10 1iru n ILE 37 N 4.23 0.00 -4.48 3.12 2.08 -0.26 -4.80 119.36 119.25 1iru n ILE 37 Ca -0.02 0.04 -0.29 0.00 0.56 0.00 0.00 62.75 63.04 1iru n ILE 37 Cb 0.50 -0.95 -0.08 0.00 -0.75 0.00 0.00 39.64 38.37 1iru n ILE 37 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1iru s SER 38 N -0.93 4.18 0.55 4.38 1.04 -0.65 -4.68 113.70 117.59 1iru s SER 38 Ca 0.00 -1.40 0.37 0.00 0.48 0.00 0.00 55.95 55.40 1iru s SER 38 Cb 0.00 0.02 1.90 0.00 0.10 0.00 0.00 66.02 68.04 1iru s SER 38 CO 0.00 -0.70 2.12 -0.65 0.98 0.00 0.00 173.24 174.99 1iru h PRO 39 N 1.42 0.00 -0.09 4.02 0.11 -1.99 -1.83 132.00 133.64 1iru h PRO 39 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1iru h PRO 39 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1iru h PRO 39 CO 0.73 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.79 1iru n ASN 40 N -2.87 2.00 -3.88 -2.05 2.04 -1.26 -4.95 115.26 104.29 1iru n ASN 40 Ca -0.02 -1.69 -0.21 0.00 -0.44 0.00 0.00 54.58 52.22 1iru n ASN 40 Cb 0.12 -0.06 -0.17 0.00 -2.53 0.00 0.00 39.78 37.14 1iru n ASN 40 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 1iru s ILE 41 N -0.76 0.56 0.11 1.53 1.01 -0.69 -1.36 121.20 121.60 1iru s ILE 41 Ca 0.08 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.68 1iru s ILE 41 Cb 0.04 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 1iru s ILE 41 CO 0.06 0.25 -0.14 -0.31 0.00 0.00 0.00 174.94 174.79 1iru s TYR 42 N 1.14 1.37 -0.03 3.97 1.51 0.34 -1.10 117.35 124.55 1iru s TYR 42 Ca -0.07 -0.52 0.00 0.00 -1.01 0.00 0.00 57.07 55.47 1iru s TYR 42 Cb -0.14 -0.73 0.03 0.00 -0.11 0.00 0.00 41.96 41.00 1iru s TYR 42 CO -0.01 0.12 -0.00 0.00 -1.11 0.00 0.00 175.55 174.55 1iru s GLY 45 N -1.53 0.88 0.03 0.00 0.00 -0.38 -1.68 107.32 104.64 1iru s GLY 45 Ca 0.36 -0.68 0.04 0.00 0.00 0.00 0.00 44.72 44.44 1iru s GLY 45 CO 0.19 -0.39 -0.12 0.00 0.00 0.00 0.00 173.10 172.79 1iru s ALA 46 N -0.04 0.94 0.00 3.20 0.00 0.19 -4.91 121.76 121.15 1iru s ALA 46 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1iru s ALA 46 Cb -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1iru s ALA 46 CO 0.02 0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.34 1iru n GLY 47 N 1.98 0.20 3.52 0.00 0.00 -1.26 -0.72 105.19 108.91 1iru n GLY 47 Ca -0.18 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 1iru n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iru s THR 48 N 0.00 4.34 0.17 2.61 2.01 0.04 -4.92 115.64 119.88 1iru s THR 48 Ca 0.00 0.30 -0.24 0.00 0.31 0.00 0.00 61.69 62.07 1iru s THR 48 Cb 0.00 -4.57 0.05 0.00 0.01 0.00 0.00 72.50 67.98 1iru s THR 48 CO 0.00 -1.17 1.42 0.00 -0.69 0.00 0.00 174.62 174.18 1iru n ALA 49 N 7.61 -0.40 -0.29 7.40 0.00 -1.26 0.03 120.51 133.59 1iru n ALA 49 Ca 0.02 0.84 0.04 0.00 0.00 0.00 0.00 53.44 54.34 1iru n ALA 49 Cb 0.48 -0.24 0.19 0.00 0.00 0.00 0.00 19.45 19.87 1iru n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iru h ALA 50 N 0.78 1.20 -0.44 0.00 0.00 -1.96 0.29 119.26 119.13 1iru h ALA 50 Ca 0.22 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1iru h ALA 50 Cb 0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1iru h ALA 50 CO -0.88 0.02 -0.00 -0.44 0.00 0.00 0.00 179.25 177.95 1iru h ASP 51 N 0.72 0.76 -0.28 0.00 3.32 -0.72 -1.71 116.42 118.52 1iru h ASP 51 Ca 0.42 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1iru h ASP 51 Cb 0.47 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1iru h ASP 51 CO -0.29 0.88 0.18 0.74 -1.72 0.00 0.00 179.24 179.04 1iru h THR 52 N 0.62 1.07 0.00 0.35 2.02 -0.10 -1.45 112.91 115.42 1iru h THR 52 Ca 0.12 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1iru h THR 52 Cb 0.49 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1iru h THR 52 CO 0.02 0.07 0.00 0.47 0.37 0.00 0.00 175.52 176.46 1iru n ASP 53 N -4.49 0.00 -0.36 4.18 8.00 0.00 -2.96 116.55 120.93 1iru n ASP 53 Ca 0.01 0.71 0.11 0.00 0.71 0.00 0.00 54.79 56.33 1iru n ASP 53 Cb 0.07 -0.48 0.29 0.00 -0.02 0.00 0.00 41.12 40.99 1iru n ASP 53 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1iru h MET 54 N 0.00 0.82 -0.30 -1.24 2.86 -1.33 0.44 114.93 116.18 1iru h MET 54 Ca 0.00 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 1iru h MET 54 Cb 0.00 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1iru h MET 54 CO 0.00 0.54 -0.08 1.79 1.06 0.00 0.00 176.91 180.22 1iru h THR 55 N 0.85 1.28 -0.75 2.22 1.35 -1.42 0.56 112.91 117.00 1iru h THR 55 Ca 0.55 -1.13 -0.03 0.00 -0.55 0.00 0.00 66.41 65.25 1iru h THR 55 Cb 0.76 1.40 -0.03 0.00 -1.73 0.00 0.00 68.15 68.54 1iru h THR 55 CO -0.34 0.36 0.34 0.74 -0.25 0.00 0.00 175.52 176.37 1iru h THR 56 N 0.35 1.25 -0.47 6.82 2.02 -1.18 -1.34 112.91 120.37 1iru h THR 56 Ca 0.08 -0.72 -0.11 0.00 0.77 0.00 0.00 66.41 66.43 1iru h THR 56 Cb 0.57 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1iru h THR 56 CO 0.03 0.30 -0.13 1.56 0.37 0.00 0.00 175.52 177.65 1iru h GLN 57 N 1.06 0.91 -0.00 6.66 4.20 0.01 -2.28 115.11 125.67 1iru h GLN 57 Ca 0.26 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1iru h GLN 57 Cb 0.15 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1iru h GLN 57 CO -0.03 1.01 0.00 1.25 -0.67 0.00 0.00 178.83 180.39 1iru h LEU 58 N 0.75 0.01 -1.09 1.46 5.85 -0.54 0.80 115.31 122.55 1iru h LEU 58 Ca 0.12 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1iru h LEU 58 Cb 0.68 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1iru h LEU 58 CO 0.05 0.21 0.62 0.40 -0.34 0.00 0.00 178.44 179.37 1iru h ILE 59 N -0.20 1.24 0.87 4.05 1.08 -1.29 0.34 117.51 123.60 1iru h ILE 59 Ca 0.00 -0.43 -0.04 0.00 -0.39 0.00 0.00 64.86 64.00 1iru h ILE 59 Cb 0.20 -0.13 0.00 0.00 -3.07 0.00 0.00 36.82 33.83 1iru h ILE 59 CO -0.00 0.23 -0.48 -1.28 -0.69 0.00 0.00 178.15 175.92 1iru h SER 60 N 1.26 -1.20 -0.87 1.72 0.87 -1.15 -0.09 113.55 114.09 1iru h SER 60 Ca 0.34 0.06 0.19 0.00 -1.23 0.00 0.00 61.79 61.14 1iru h SER 60 Cb -0.14 0.33 -0.11 0.00 -0.44 0.00 0.00 62.40 62.04 1iru h SER 60 CO -0.07 -0.77 0.41 -1.28 -0.53 0.00 0.00 176.83 174.58 1iru h SER 61 N -1.25 0.42 0.63 6.23 0.87 -0.27 0.13 113.55 120.30 1iru h SER 61 Ca -0.12 0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 1iru h SER 61 Cb 0.99 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1iru h SER 61 CO 0.15 0.10 -0.42 0.78 -0.53 0.00 0.00 176.83 176.91 1iru h ASN 62 N 0.50 0.00 1.22 6.23 2.35 -0.09 -2.72 115.58 123.07 1iru h ASN 62 Ca 0.52 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.11 1iru h ASN 62 Cb 0.88 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.22 1iru h ASN 62 CO -0.45 0.42 -0.79 -0.07 -1.65 0.00 0.00 177.43 174.89 1iru h LEU 63 N 0.00 0.00 -0.91 1.61 3.38 0.11 -1.50 115.31 118.00 1iru h LEU 63 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1iru h LEU 63 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1iru h LEU 63 CO 0.05 0.75 -0.48 -0.08 0.09 0.00 0.00 178.44 178.77 1iru h GLU 64 N 0.00 0.00 0.04 1.13 4.81 -0.86 -0.88 114.58 118.82 1iru h GLU 64 Ca -0.02 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.98 1iru h GLU 64 Cb 1.58 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.96 1iru h GLU 64 CO 0.10 0.48 -1.02 1.25 -0.73 0.00 0.00 179.01 179.09 1iru h LEU 65 N 0.00 0.33 0.33 1.64 5.85 -1.43 -2.62 115.31 119.40 1iru h LEU 65 Ca -0.00 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1iru h LEU 65 Cb 0.95 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1iru h LEU 65 CO 0.06 1.16 -0.16 -0.74 -0.34 0.00 0.00 178.44 178.42 1iru h HIS 66 N 0.10 -0.41 0.00 1.25 2.76 -0.77 -3.19 115.15 114.90 1iru h HIS 66 Ca -0.08 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 1iru h HIS 66 Cb 1.70 0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.80 1iru h HIS 66 CO 0.04 -0.09 0.00 0.66 -1.30 0.00 0.00 177.93 177.24 1iru h SER 67 N -0.97 0.00 0.91 3.26 4.64 -1.31 -0.90 113.55 119.17 1iru h SER 67 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1iru h SER 67 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1iru h SER 67 CO 0.07 0.00 0.00 0.25 -0.87 0.00 0.00 176.83 176.28 1iru h LEU 68 N 0.00 0.00 0.00 5.97 5.85 -1.45 -0.70 115.31 124.98 1iru h LEU 68 Ca 0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 1iru h LEU 68 Cb 0.36 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1iru h LEU 68 CO 0.00 0.00 -1.86 -0.24 -0.34 0.00 0.00 178.44 176.00 1iru n SER 69 N -2.35 2.49 0.22 1.25 2.88 -0.44 -4.50 113.62 113.17 1iru n SER 69 Ca 0.03 -0.02 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 1iru n SER 69 Cb 0.28 -0.28 0.45 0.00 -0.75 0.00 0.00 64.21 63.90 1iru n SER 69 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1iru h THR 70 N -0.12 0.52 0.00 2.46 1.35 -1.35 -3.46 112.91 112.31 1iru h THR 70 Ca -0.35 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 1iru h THR 70 Cb 1.48 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 1iru h THR 70 CO -0.09 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 1iru n GLY 71 N 0.20 1.53 2.30 5.82 0.00 -0.27 -4.98 105.19 109.78 1iru n GLY 71 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1iru n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iru n ARG 72 N -2.00 0.63 -3.84 1.61 1.74 -1.25 -5.02 116.66 108.52 1iru n ARG 72 Ca 0.00 -1.79 -0.37 0.00 -0.77 0.00 0.00 57.85 54.92 1iru n ARG 72 Cb 0.00 -0.20 -0.06 0.00 -1.02 0.00 0.00 32.46 31.17 1iru n ARG 72 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1iru s LEU 73 N 0.00 4.37 0.44 0.55 2.96 -1.26 -4.67 118.68 121.08 1iru s LEU 73 Ca 0.37 0.47 -0.23 0.00 -0.22 0.00 0.00 54.13 54.52 1iru s LEU 73 Cb -0.03 -2.10 -0.11 0.00 0.50 0.00 0.00 46.19 44.46 1iru s LEU 73 CO 0.24 0.38 0.83 -2.65 -1.32 0.00 0.00 176.35 173.83 1iru n PRO 74 N 2.15 1.01 -4.00 0.98 -0.02 -1.26 -4.95 135.00 128.91 1iru n PRO 74 Ca -0.19 0.37 -0.25 0.00 -2.02 0.00 0.00 63.50 61.41 1iru n PRO 74 Cb 0.55 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 1iru n PRO 74 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1iru s ARG 75 N -1.95 3.27 0.06 -0.52 0.52 -1.26 -4.85 118.95 114.23 1iru s ARG 75 Ca 0.65 -0.74 -0.19 0.00 -0.52 0.00 0.00 55.73 54.93 1iru s ARG 75 Cb -0.55 -2.84 -0.12 0.00 0.52 0.00 0.00 34.95 31.96 1iru s ARG 75 CO 0.56 0.48 1.40 0.28 0.02 0.00 0.00 175.30 178.04 1iru h VAL 76 N 1.60 1.32 -1.00 3.52 2.07 -1.93 -3.00 116.25 118.83 1iru h VAL 76 Ca -0.49 -1.23 0.25 0.00 0.82 0.00 0.00 66.70 66.05 1iru h VAL 76 Cb 1.21 1.69 -0.08 0.00 -1.52 0.00 0.00 31.29 32.59 1iru h VAL 76 CO 0.65 0.37 0.66 -0.37 0.02 0.00 0.00 177.57 178.90 1iru h VAL 77 N 0.12 0.57 -0.22 2.57 -1.51 -1.98 0.47 116.25 116.26 1iru h VAL 77 Ca 0.04 -0.12 -0.03 0.00 -1.23 0.00 0.00 66.70 65.36 1iru h VAL 77 Cb 0.64 0.19 -0.01 0.00 -2.13 0.00 0.00 31.29 29.97 1iru h VAL 77 CO 0.04 0.06 0.03 0.74 -1.23 0.00 0.00 177.57 177.21 1iru h THR 78 N 0.35 1.23 -0.52 7.19 2.02 -1.95 0.38 112.91 121.61 1iru h THR 78 Ca 0.54 -0.78 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1iru h THR 78 Cb 1.47 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.17 1iru h THR 78 CO -0.22 0.24 0.25 0.00 0.37 0.00 0.00 175.52 176.16 1iru h ALA 79 N 0.84 0.67 -0.09 6.16 0.00 -0.96 -0.67 119.26 125.20 1iru h ALA 79 Ca 0.07 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1iru h ALA 79 Cb 0.33 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1iru h ALA 79 CO 0.01 0.23 -0.07 -0.97 0.00 0.00 0.00 179.25 178.45 1iru h ASN 80 N 0.69 -0.21 0.79 0.00 -1.24 -0.87 -0.49 115.58 114.24 1iru h ASN 80 Ca 0.18 0.05 -0.03 0.00 0.71 0.00 0.00 56.30 57.20 1iru h ASN 80 Cb 0.12 0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.28 1iru h ASN 80 CO -0.02 -0.09 -0.48 0.03 -1.29 0.00 0.00 177.43 175.58 1iru h ARG 81 N -0.07 -1.14 -0.66 6.67 2.47 0.05 -0.55 114.38 121.14 1iru h ARG 81 Ca 0.06 0.08 0.14 0.00 -1.26 0.00 0.00 59.98 59.00 1iru h ARG 81 Cb 0.16 0.26 -0.11 0.00 -1.65 0.00 0.00 29.97 28.62 1iru h ARG 81 CO -0.14 -0.76 -0.02 0.52 0.56 0.00 0.00 179.97 180.13 1iru h MET 82 N -1.19 0.09 0.20 0.04 2.86 -1.05 -0.11 114.93 115.77 1iru h MET 82 Ca -0.11 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1iru h MET 82 Cb 0.95 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.59 1iru h MET 82 CO 0.11 0.06 -0.09 -0.07 1.06 0.00 0.00 176.91 177.97 1iru h LEU 83 N 0.09 -0.22 -0.79 1.22 3.38 -0.99 -2.71 115.31 115.30 1iru h LEU 83 Ca 0.35 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1iru h LEU 83 Cb 0.57 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1iru h LEU 83 CO -0.59 -0.02 0.33 0.07 0.09 0.00 0.00 178.44 178.32 1iru h LYS 84 N -0.42 1.17 0.00 1.13 2.10 -0.54 -1.61 116.57 118.40 1iru h LYS 84 Ca -0.03 -0.20 -0.07 0.00 -2.00 0.00 0.00 60.65 58.35 1iru h LYS 84 Cb 0.32 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 31.45 1iru h LYS 84 CO 0.04 0.94 -0.33 1.96 -2.00 0.00 0.00 179.45 180.06 1iru h GLN 85 N 1.14 0.00 0.07 0.07 4.20 -1.06 -0.48 115.11 119.05 1iru h GLN 85 Ca 0.26 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1iru h GLN 85 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1iru h GLN 85 CO -0.02 0.33 -0.03 1.98 -0.67 0.00 0.00 178.83 180.41 1iru h MET 86 N 0.00 -0.09 -0.62 1.46 4.05 -1.14 -2.92 114.93 115.66 1iru h MET 86 Ca -0.00 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.52 1iru h MET 86 Cb 0.64 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.38 1iru h MET 86 CO 0.04 0.42 0.23 -0.07 0.23 0.00 0.00 176.91 177.76 1iru h LEU 87 N -0.93 0.22 -0.60 3.39 3.38 -1.25 -1.34 115.31 118.18 1iru h LEU 87 Ca -0.01 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1iru h LEU 87 Cb 0.55 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1iru h LEU 87 CO 0.02 0.13 0.31 0.15 0.09 0.00 0.00 178.44 179.13 1iru h PHE 88 N 0.40 0.56 -0.24 1.13 3.57 -1.16 -1.34 116.94 119.87 1iru h PHE 88 Ca 0.32 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.91 1iru h PHE 88 Cb 0.41 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1iru h PHE 88 CO -0.17 0.26 0.22 -0.09 -2.23 0.00 0.00 178.31 176.30 1iru h ARG 89 N 0.57 0.00 -0.61 1.11 2.43 -1.05 0.06 114.38 116.90 1iru h ARG 89 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1iru h ARG 89 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1iru h ARG 89 CO -0.19 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 178.93 1iru n TYR 90 N -3.99 1.94 -2.85 2.20 4.02 -0.51 -4.95 117.16 113.01 1iru n TYR 90 Ca 0.03 -0.69 -0.15 0.00 -0.01 0.00 0.00 57.90 57.09 1iru n TYR 90 Cb 0.36 -0.45 -0.03 0.00 -0.02 0.00 0.00 39.34 39.21 1iru n TYR 90 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1iru n ARG 91 N 0.73 -1.78 -0.05 -0.72 5.12 0.01 -0.04 116.66 119.93 1iru n ARG 91 Ca 0.27 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 56.24 1iru n ARG 91 Cb 1.12 -3.59 0.00 0.00 -1.16 0.00 0.00 32.46 28.84 1iru n ARG 91 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1iru n GLY 92 N -0.63 0.42 0.23 -0.13 0.00 -1.24 -4.90 105.19 98.93 1iru n GLY 92 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1iru n GLY 92 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1iru h TYR 93 N 0.00 0.00 -2.77 1.61 -1.99 -0.75 -3.36 116.97 109.72 1iru h TYR 93 Ca 0.00 0.00 -0.68 0.00 2.00 0.00 0.00 58.73 60.05 1iru h TYR 93 Cb 0.00 0.00 -0.18 0.00 2.00 0.00 0.00 36.73 38.55 1iru h TYR 93 CO 0.00 0.16 0.43 0.42 -0.00 0.00 0.00 178.16 179.17 1iru s ILE 94 N -3.56 4.71 -0.93 -2.88 1.01 -1.26 -4.95 121.20 113.34 1iru s ILE 94 Ca 0.02 -1.08 -0.21 0.00 0.00 0.00 0.00 60.65 59.38 1iru s ILE 94 Cb 0.09 -4.62 -0.12 0.00 0.01 0.00 0.00 42.46 37.82 1iru s ILE 94 CO 0.62 -1.32 1.96 0.61 0.00 0.00 0.00 174.94 176.82 1iru n GLY 95 N 5.25 2.61 3.10 6.18 0.00 -1.26 -4.74 105.19 116.35 1iru n GLY 95 Ca 0.03 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 1iru n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iru s ALA 96 N 5.51 2.39 -0.24 4.61 0.00 -1.26 -0.78 121.76 131.99 1iru s ALA 96 Ca 0.57 -1.37 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 1iru s ALA 96 Cb 0.12 -1.29 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 1iru s ALA 96 CO 0.09 -0.59 0.02 0.00 0.00 0.00 0.00 175.76 175.28 1iru s ALA 97 N 1.24 3.00 0.08 0.00 0.00 0.10 -2.17 121.76 124.01 1iru s ALA 97 Ca 0.01 -1.17 0.10 0.00 0.00 0.00 0.00 51.96 50.89 1iru s ALA 97 Cb -0.15 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 1iru s ALA 97 CO -0.11 -0.50 -0.26 -0.51 0.00 0.00 0.00 175.76 174.39 1iru s LEU 98 N 1.54 2.24 -0.33 0.00 1.43 0.25 -0.63 118.68 123.18 1iru s LEU 98 Ca 0.06 -0.66 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 1iru s LEU 98 Cb -0.15 -1.19 0.09 0.00 0.03 0.00 0.00 46.19 44.96 1iru s LEU 98 CO 0.00 0.20 0.04 -0.69 0.23 0.00 0.00 176.35 176.13 1iru s VAL 99 N -0.94 2.56 -0.17 -1.59 1.01 -0.68 -0.65 120.40 119.95 1iru s VAL 99 Ca 0.12 -1.99 -0.12 0.00 0.00 0.00 0.00 61.98 59.99 1iru s VAL 99 Cb -0.10 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 1iru s VAL 99 CO 0.04 -0.42 0.22 -0.22 0.00 0.00 0.00 175.10 174.72 1iru s LEU 100 N 1.04 4.25 -0.10 3.92 2.96 0.71 -0.74 118.68 130.73 1iru s LEU 100 Ca 0.04 0.42 -0.11 0.00 -0.22 0.00 0.00 54.13 54.25 1iru s LEU 100 Cb -0.20 -2.25 0.03 0.00 0.50 0.00 0.00 46.19 44.27 1iru s LEU 100 CO -0.06 0.17 0.31 -0.83 -1.32 0.00 0.00 176.35 174.62 1iru s GLY 101 N 0.23 -0.21 0.01 7.98 0.00 -0.25 0.13 107.32 115.21 1iru s GLY 101 Ca 0.13 0.76 -0.28 0.00 0.00 0.00 0.00 44.72 45.33 1iru s GLY 101 CO 0.02 0.63 1.25 -0.32 0.00 0.00 0.00 173.10 174.68 1iru s GLY 102 N -0.13 -0.22 -0.12 0.20 0.00 -0.43 -0.50 107.32 106.11 1iru s GLY 102 Ca -0.03 0.27 0.03 0.00 0.00 0.00 0.00 44.72 44.99 1iru s GLY 102 CO 0.01 2.90 -0.21 0.14 0.00 0.00 0.00 173.10 175.94 1iru s VAL 103 N -2.23 2.22 0.42 1.40 1.01 -0.47 0.92 120.40 123.68 1iru s VAL 103 Ca 0.22 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1iru s VAL 103 Cb 0.01 -1.88 0.07 0.00 0.00 0.00 0.00 36.38 34.59 1iru s VAL 103 CO -0.01 0.55 0.55 0.47 0.00 0.00 0.00 175.10 176.66 1iru n ASP 104 N 3.73 1.65 0.20 3.32 8.00 1.17 -4.87 116.55 129.75 1iru n ASP 104 Ca -0.19 -2.16 0.08 0.00 0.71 0.00 0.00 54.79 53.23 1iru n ASP 104 Cb 0.52 -0.28 0.28 0.00 -0.02 0.00 0.00 41.12 41.63 1iru n ASP 104 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1iru h VAL 105 N 0.14 0.51 -0.01 2.53 2.07 -1.92 -1.89 116.25 117.69 1iru h VAL 105 Ca -0.21 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 65.90 1iru h VAL 105 Cb 0.92 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1iru h VAL 105 CO 0.30 0.25 -0.26 0.41 0.02 0.00 0.00 177.57 178.29 1iru n THR 106 N -3.26 0.00 0.00 2.57 -1.04 -1.26 -5.07 114.28 106.22 1iru n THR 106 Ca 0.01 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1iru n THR 106 Cb 0.54 0.55 0.00 0.00 -1.82 0.00 0.00 70.33 69.60 1iru n THR 106 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1iru n GLY 107 N 1.34 -0.26 3.72 3.41 0.00 -0.71 -5.00 105.19 107.68 1iru n GLY 107 Ca 0.12 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 1iru n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iru s PRO 108 N 0.00 4.59 -0.04 1.61 0.04 -1.26 0.37 135.00 140.32 1iru s PRO 108 Ca 0.00 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.48 1iru s PRO 108 Cb 0.00 -3.43 -0.00 0.00 0.04 0.00 0.00 34.50 31.11 1iru s PRO 108 CO 0.00 0.04 -0.14 -1.01 0.04 0.00 0.00 177.00 175.93 1iru s HIS 109 N 0.69 1.41 -0.19 0.56 3.76 0.26 -4.92 115.29 116.86 1iru s HIS 109 Ca 0.50 -0.39 -0.00 0.00 -0.15 0.00 0.00 55.06 55.02 1iru s HIS 109 Cb -0.22 -0.97 0.05 0.00 1.11 0.00 0.00 32.58 32.55 1iru s HIS 109 CO 0.28 -0.14 -0.05 -1.17 -0.85 0.00 0.00 174.74 172.81 1iru s LEU 110 N 0.11 1.92 0.13 0.89 2.96 -1.26 -1.32 118.68 122.11 1iru s LEU 110 Ca -0.04 -0.84 0.11 0.00 -0.22 0.00 0.00 54.13 53.14 1iru s LEU 110 Cb -0.10 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 1iru s LEU 110 CO 0.01 -0.20 -0.26 -0.31 -1.32 0.00 0.00 176.35 174.28 1iru s TYR 111 N 1.56 2.22 -0.13 5.38 1.51 0.12 -2.26 117.35 125.75 1iru s TYR 111 Ca -0.01 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 1iru s TYR 111 Cb -0.16 -1.19 0.00 0.00 -0.11 0.00 0.00 41.96 40.50 1iru s TYR 111 CO -0.07 0.34 -0.20 -1.54 -1.11 0.00 0.00 175.55 172.96 1iru s SER 112 N -2.11 3.30 -0.12 2.29 1.04 0.11 -0.21 113.70 118.00 1iru s SER 112 Ca 0.14 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 56.05 1iru s SER 112 Cb -0.10 -1.47 -0.00 0.00 0.10 0.00 0.00 66.02 64.55 1iru s SER 112 CO 0.06 0.12 -0.19 -0.63 0.98 0.00 0.00 173.24 173.57 1iru s ILE 113 N 0.61 2.44 0.25 -1.02 1.01 0.18 -0.37 121.20 124.30 1iru s ILE 113 Ca -0.11 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.65 1iru s ILE 113 Cb -0.16 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1iru s ILE 113 CO 0.03 0.54 0.45 -0.31 0.00 0.00 0.00 174.94 175.66 1iru s TYR 114 N 0.42 3.48 0.51 3.97 1.51 -0.53 -0.59 117.35 126.14 1iru s TYR 114 Ca -0.14 0.36 0.29 0.00 -1.01 0.00 0.00 57.07 56.57 1iru s TYR 114 Cb -0.17 -1.88 1.41 0.00 -0.11 0.00 0.00 41.96 41.21 1iru s TYR 114 CO 0.06 0.29 1.87 -1.00 -1.11 0.00 0.00 175.55 175.66 1iru h PRO 115 N 1.58 0.08 0.00 -1.71 0.13 -1.73 0.18 132.00 130.54 1iru h PRO 115 Ca -0.49 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1iru h PRO 115 Cb 1.20 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1iru h PRO 115 CO 0.65 0.05 0.00 0.72 -0.23 0.00 0.00 178.00 179.20 1iru n HIS 116 N -4.32 0.22 0.00 1.56 8.25 -1.26 -3.70 115.22 115.97 1iru n HIS 116 Ca 0.19 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1iru n HIS 116 Cb 0.94 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1iru n HIS 116 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1iru n GLY 117 N 1.28 1.09 3.92 -1.41 0.00 0.65 -3.69 105.19 107.01 1iru n GLY 117 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1iru n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iru s SER 118 N -1.98 6.39 0.14 1.61 1.04 -1.26 -4.74 113.70 114.89 1iru s SER 118 Ca 0.00 0.61 0.05 0.00 0.48 0.00 0.00 55.95 57.09 1iru s SER 118 Cb 0.00 -2.10 -0.04 0.00 0.10 0.00 0.00 66.02 63.98 1iru s SER 118 CO 0.00 -0.22 -0.11 0.42 0.98 0.00 0.00 173.24 174.31 1iru s THR 119 N -2.15 1.19 -0.07 2.02 -4.23 -1.26 -1.45 115.64 109.69 1iru s THR 119 Ca 0.42 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 59.02 1iru s THR 119 Cb -0.10 -1.72 0.01 0.00 1.34 0.00 0.00 72.50 72.03 1iru s THR 119 CO 0.32 -0.65 -0.13 -1.81 -0.54 0.00 0.00 174.62 171.81 1iru s ASP 120 N -2.93 1.90 -0.45 3.99 1.01 0.50 -4.94 116.67 115.75 1iru s ASP 120 Ca 0.14 -0.32 -0.15 0.00 0.71 0.00 0.00 52.55 52.92 1iru s ASP 120 Cb 0.00 -0.86 0.05 0.00 1.01 0.00 0.00 42.92 43.13 1iru s ASP 120 CO 0.01 0.05 0.36 -0.75 0.21 0.00 0.00 175.17 175.05 1iru s LYS 121 N 0.59 2.97 0.04 8.23 2.20 -1.26 -0.71 119.74 131.80 1iru s LYS 121 Ca -0.14 -1.23 -0.05 0.00 -0.36 0.00 0.00 55.97 54.19 1iru s LYS 121 Cb -0.16 -4.07 -0.01 0.00 -1.51 0.00 0.00 37.83 32.08 1iru s LYS 121 CO 0.04 -0.92 0.09 -0.51 -0.36 0.00 0.00 175.35 173.69 1iru s LEU 122 N 1.65 1.84 0.54 5.43 1.43 -0.96 -5.04 118.68 123.58 1iru s LEU 122 Ca 0.04 -0.57 0.32 0.00 -1.03 0.00 0.00 54.13 52.89 1iru s LEU 122 Cb -0.22 0.58 1.46 0.00 0.03 0.00 0.00 46.19 48.04 1iru s LEU 122 CO 0.08 -0.52 2.03 1.55 0.23 0.00 0.00 176.35 179.72 1iru h PRO 123 N 3.61 0.00 -1.99 1.29 0.13 -1.95 -3.41 132.00 129.68 1iru h PRO 123 Ca -0.33 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1iru h PRO 123 Cb 1.18 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.10 1iru h PRO 123 CO 0.51 0.08 0.08 1.52 -0.23 0.00 0.00 178.00 179.96 1iru s TYR 124 N -3.87 -0.94 0.13 1.56 -0.85 -1.26 0.38 117.35 112.50 1iru s TYR 124 Ca -0.01 2.03 -0.04 0.00 -0.52 0.00 0.00 57.07 58.53 1iru s TYR 124 Cb 0.11 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.90 1iru s TYR 124 CO 0.55 -0.46 0.13 0.14 -1.52 0.00 0.00 175.55 174.39 1iru s VAL 125 N 1.09 0.10 0.04 -3.49 -7.23 -0.72 -4.99 120.40 105.19 1iru s VAL 125 Ca -0.06 -1.69 -0.06 0.00 -1.81 0.00 0.00 61.98 58.36 1iru s VAL 125 Cb -0.05 -1.89 -0.01 0.00 0.56 0.00 0.00 36.38 34.99 1iru s VAL 125 CO -0.11 -0.47 0.11 0.42 -0.31 0.00 0.00 175.10 174.75 1iru s THR 126 N -4.00 0.13 0.17 5.32 -4.23 -1.26 -1.79 115.64 109.98 1iru s THR 126 Ca 0.19 -1.04 -0.09 0.00 -1.18 0.00 0.00 61.69 59.58 1iru s THR 126 Cb 0.06 -0.87 -0.01 0.00 1.34 0.00 0.00 72.50 73.02 1iru s THR 126 CO -0.01 -0.57 0.29 -0.04 -0.54 0.00 0.00 174.62 173.75 1iru s MET 127 N -2.53 1.19 0.00 3.99 -1.94 -0.54 -4.94 119.30 114.52 1iru s MET 127 Ca -0.06 -1.21 0.00 0.00 -1.71 0.00 0.00 55.69 52.71 1iru s MET 127 Cb -0.02 0.38 0.00 0.00 2.01 0.00 0.00 34.83 37.20 1iru s MET 127 CO -0.04 -0.44 0.00 0.41 -0.01 0.00 0.00 175.02 174.94 1iru n GLY 128 N -0.23 0.47 0.31 -0.03 0.00 -1.26 -2.36 105.19 102.09 1iru n GLY 128 Ca -0.06 -1.87 0.13 0.00 0.00 0.00 0.00 46.02 44.22 1iru n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iru h SER 129 N 0.00 0.00 -0.41 1.61 4.64 -1.55 -0.06 113.55 117.78 1iru h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iru h SER 129 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1iru h SER 129 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1iru n GLY 130 N -1.56 1.22 0.35 -0.77 0.00 0.86 -4.47 105.19 100.82 1iru n GLY 130 Ca 0.02 -0.56 0.04 0.00 0.00 0.00 0.00 46.02 45.52 1iru n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iru h SER 131 N 3.12 0.72 -0.25 1.61 4.64 -1.10 -1.79 113.55 120.51 1iru h SER 131 Ca 0.00 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1iru h SER 131 Cb 0.70 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1iru h SER 131 CO 0.00 0.50 -0.23 -0.07 -0.87 0.00 0.00 176.83 176.16 1iru h LEU 132 N 0.84 0.73 -0.05 5.97 -0.00 -1.80 0.67 115.31 121.67 1iru h LEU 132 Ca 0.28 -0.26 -0.01 0.00 -0.00 0.00 0.00 57.88 57.90 1iru h LEU 132 Cb 0.08 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 40.54 1iru h LEU 132 CO -0.08 0.94 0.01 0.00 -0.00 0.00 0.00 178.44 179.30 1iru h ALA 133 N 1.12 0.07 -0.07 1.53 0.00 -1.75 -2.63 119.26 117.53 1iru h ALA 133 Ca 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1iru h ALA 133 Cb 0.72 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1iru h ALA 133 CO 0.06 -0.28 0.04 0.00 0.00 0.00 0.00 179.25 179.06 1iru h ALA 134 N 0.75 0.09 -0.37 0.00 0.00 -1.25 -2.36 119.26 116.12 1iru h ALA 134 Ca 0.02 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.99 1iru h ALA 134 Cb 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1iru h ALA 134 CO 0.00 -0.39 0.36 1.98 0.00 0.00 0.00 179.25 181.20 1iru h MET 135 N 0.04 0.00 -0.01 0.00 -1.53 -0.83 -0.25 114.93 112.35 1iru h MET 135 Ca 0.02 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.28 1iru h MET 135 Cb 0.06 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.11 1iru h MET 135 CO -0.00 0.00 0.00 0.00 0.14 0.00 0.00 176.91 177.05 1iru h ALA 136 N 1.63 0.01 -0.18 0.39 0.00 -1.04 -0.26 119.26 119.82 1iru h ALA 136 Ca 0.17 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1iru h ALA 136 Cb 0.89 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 1iru h ALA 136 CO -0.00 -0.34 -0.40 0.28 0.00 0.00 0.00 179.25 178.78 1iru h VAL 137 N -0.28 0.16 0.26 0.00 2.07 -1.02 -0.97 116.25 116.48 1iru h VAL 137 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1iru h VAL 137 Cb 0.29 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 1iru h VAL 137 CO 0.00 0.00 -0.46 -0.26 0.02 0.00 0.00 177.57 176.87 1iru h PHE 138 N -0.45 -1.30 -0.51 1.57 0.05 -1.38 0.18 116.94 115.09 1iru h PHE 138 Ca 0.09 0.02 0.15 0.00 3.82 0.00 0.00 57.97 62.05 1iru h PHE 138 Cb 0.61 0.54 -0.02 0.00 2.00 0.00 0.00 35.95 39.07 1iru h PHE 138 CO -0.50 -0.58 0.42 0.93 -0.18 0.00 0.00 178.31 178.41 1iru h GLU 139 N -0.80 0.00 0.13 1.51 4.39 -0.73 -1.35 114.58 117.73 1iru h GLU 139 Ca -0.01 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.33 1iru h GLU 139 Cb 0.76 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 1iru h GLU 139 CO -0.18 0.00 -1.93 0.22 -1.16 0.00 0.00 179.01 175.96 1iru h ASP 140 N 0.00 0.42 -1.88 1.42 3.58 -0.59 -3.41 116.42 115.96 1iru h ASP 140 Ca 0.24 -0.87 -0.55 0.00 0.42 0.00 0.00 57.03 56.27 1iru h ASP 140 Cb 1.09 -0.14 -0.42 0.00 1.72 0.00 0.00 39.33 41.59 1iru h ASP 140 CO -0.00 1.78 -0.81 0.29 -2.88 0.00 0.00 179.24 177.62 1iru n LYS 141 N -3.47 2.76 -5.21 0.28 5.02 0.56 -5.06 118.16 113.05 1iru n LYS 141 Ca -0.29 -4.38 -0.32 0.00 -2.02 0.00 0.00 58.31 51.30 1iru n LYS 141 Cb 1.05 -2.07 -0.16 0.00 -0.02 0.00 0.00 35.03 33.84 1iru n LYS 141 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1iru s PHE 142 N -3.31 2.44 0.01 2.13 5.36 -0.55 -4.79 117.98 119.27 1iru s PHE 142 Ca 0.45 -0.49 0.01 0.00 -0.96 0.00 0.00 56.93 55.94 1iru s PHE 142 Cb 0.35 -1.56 -0.01 0.00 -0.34 0.00 0.00 43.02 41.45 1iru s PHE 142 CO -0.13 -0.07 -0.04 1.03 -1.46 0.00 0.00 175.22 174.55 1iru s ARG 143 N -0.45 0.32 0.42 10.12 0.52 -1.26 -5.04 118.95 123.57 1iru s ARG 143 Ca 0.05 -0.28 -0.22 0.00 -0.52 0.00 0.00 55.73 54.75 1iru s ARG 143 Cb -0.12 -0.22 -0.10 0.00 0.52 0.00 0.00 34.95 35.03 1iru s ARG 143 CO 0.01 0.05 1.00 -1.25 0.02 0.00 0.00 175.30 175.13 1iru s PRO 144 N -0.49 4.15 -1.40 3.54 0.04 -1.26 -3.75 135.00 135.84 1iru s PRO 144 Ca -0.03 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1iru s PRO 144 Cb -0.04 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1iru s PRO 144 CO -0.00 -0.12 0.00 -0.25 0.04 0.00 0.00 177.00 176.67 1iru n ASP 145 N -0.41 -4.59 -4.46 6.66 8.00 -1.26 -4.91 116.55 115.58 1iru n ASP 145 Ca 0.06 0.18 -0.32 0.00 0.71 0.00 0.00 54.79 55.42 1iru n ASP 145 Cb 0.52 -3.56 0.15 0.00 -0.02 0.00 0.00 41.12 38.22 1iru n ASP 145 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1iru n MET 146 N -2.49 -0.75 -2.34 -1.24 2.81 -1.25 -3.97 117.12 107.89 1iru n MET 146 Ca -0.16 -0.18 -0.28 0.00 -1.81 0.00 0.00 57.70 55.27 1iru n MET 146 Cb 0.55 -1.99 0.01 0.00 -0.71 0.00 0.00 33.22 31.08 1iru n MET 146 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1iru s GLU 147 N -3.93 3.41 0.15 0.03 0.41 -1.26 -2.24 118.70 115.28 1iru s GLU 147 Ca 0.60 0.33 -0.30 0.00 -0.41 0.00 0.00 54.97 55.19 1iru s GLU 147 Cb -0.21 -2.26 -0.05 0.00 -1.78 0.00 0.00 34.13 29.84 1iru s GLU 147 CO 0.65 -0.44 1.55 1.49 -0.49 0.00 0.00 175.26 178.02 1iru h GLU 148 N -0.04 -0.21 -0.10 1.61 4.81 -1.99 0.45 114.58 119.11 1iru h GLU 148 Ca -0.46 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.75 1iru h GLU 148 Cb 1.21 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 1iru h GLU 148 CO 0.62 -0.14 -0.12 0.93 -0.73 0.00 0.00 179.01 179.57 1iru h GLU 149 N -0.22 0.15 0.00 1.92 4.39 -1.96 0.85 114.58 119.71 1iru h GLU 149 Ca 0.13 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1iru h GLU 149 Cb 0.53 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1iru h GLU 149 CO -0.75 0.28 0.00 1.49 -1.16 0.00 0.00 179.01 178.87 1iru h GLU 150 N 0.15 0.00 0.00 2.33 4.81 -1.33 -3.04 114.58 117.50 1iru h GLU 150 Ca 0.03 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.93 1iru h GLU 150 Cb 0.31 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 1iru h GLU 150 CO 0.02 0.00 -2.11 0.00 -0.73 0.00 0.00 179.01 176.19 1iru n ALA 151 N -1.85 1.70 0.28 2.92 0.00 -0.44 -3.95 120.51 119.17 1iru n ALA 151 Ca 0.03 -0.79 0.04 0.00 0.00 0.00 0.00 53.44 52.72 1iru n ALA 151 Cb 0.30 0.22 0.23 0.00 0.00 0.00 0.00 19.45 20.21 1iru n ALA 151 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1iru h LYS 152 N -0.63 0.00 0.00 0.00 3.64 0.67 0.69 116.57 120.94 1iru h LYS 152 Ca -0.50 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 1iru h LYS 152 Cb 1.47 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1iru h LYS 152 CO -0.28 0.00 -1.45 0.27 -2.27 0.00 0.00 179.45 175.72 1iru n ASN 153 N -2.38 2.88 -0.00 4.20 2.04 -1.15 -3.86 115.26 116.99 1iru n ASN 153 Ca -0.01 0.00 -0.05 0.00 -0.44 0.00 0.00 54.58 54.09 1iru n ASN 153 Cb 0.72 1.33 0.17 0.00 -2.53 0.00 0.00 39.78 39.46 1iru n ASN 153 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 1iru h LEU 154 N 0.00 0.54 -0.18 -4.53 5.85 0.20 -1.11 115.31 116.08 1iru h LEU 154 Ca -0.03 -0.19 -0.22 0.00 0.84 0.00 0.00 57.88 58.27 1iru h LEU 154 Cb 0.58 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.47 1iru h LEU 154 CO 0.00 0.80 -0.77 0.58 -0.34 0.00 0.00 178.44 178.71 1iru h VAL 155 N 0.47 1.28 0.00 1.05 2.07 -1.38 -1.90 116.25 117.84 1iru h VAL 155 Ca 0.06 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.61 1iru h VAL 155 Cb 0.72 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1iru h VAL 155 CO 0.06 0.62 0.00 0.77 0.02 0.00 0.00 177.57 179.04 1iru h SER 156 N 0.54 0.00 0.60 0.57 4.64 -1.62 -0.71 113.55 117.57 1iru h SER 156 Ca -0.05 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.99 1iru h SER 156 Cb 1.39 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.47 1iru h SER 156 CO 0.16 0.00 -1.40 -0.08 -0.87 0.00 0.00 176.83 174.64 1iru h GLU 157 N 0.00 0.17 0.11 4.77 4.81 -1.01 -2.66 114.58 120.77 1iru h GLU 157 Ca 0.00 -0.29 -0.27 0.00 -0.13 0.00 0.00 59.36 58.67 1iru h GLU 157 Cb 0.52 0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.02 1iru h GLU 157 CO 0.00 1.03 -1.20 0.00 -0.73 0.00 0.00 179.01 178.10 1iru h ALA 158 N 0.68 0.13 0.00 2.92 0.00 -1.02 -1.56 119.26 120.41 1iru h ALA 158 Ca -0.18 -0.85 -0.00 0.00 0.00 0.00 0.00 54.91 53.87 1iru h ALA 158 Cb 1.96 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 1iru h ALA 158 CO 0.15 0.93 -0.01 0.82 0.00 0.00 0.00 179.25 181.14 1iru h ILE 159 N 0.10 0.01 0.08 0.00 1.08 -1.23 -2.41 117.51 115.15 1iru h ILE 159 Ca -0.13 -0.61 -0.12 0.00 -0.39 0.00 0.00 64.86 63.61 1iru h ILE 159 Cb 1.91 1.60 0.01 0.00 -3.07 0.00 0.00 36.82 37.28 1iru h ILE 159 CO 0.20 0.01 -0.52 0.00 -0.69 0.00 0.00 178.15 177.14 1iru h ALA 160 N 1.99 -0.05 -0.82 1.87 0.00 -1.35 -2.15 119.26 118.76 1iru h ALA 160 Ca -0.00 -0.62 0.15 0.00 0.00 0.00 0.00 54.91 54.44 1iru h ALA 160 Cb 0.60 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 1iru h ALA 160 CO 0.00 0.24 0.39 0.00 0.00 0.00 0.00 179.25 179.89 1iru h ALA 161 N 0.08 1.22 0.59 0.00 0.00 -1.07 -1.71 119.26 118.37 1iru h ALA 161 Ca -0.09 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1iru h ALA 161 Cb 1.40 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.22 1iru h ALA 161 CO 0.10 -0.14 -0.29 0.78 0.00 0.00 0.00 179.25 179.70 1iru h GLY 162 N 0.55 -0.83 -0.89 0.00 0.00 -1.47 -2.21 103.07 98.22 1iru h GLY 162 Ca 0.45 0.31 0.24 0.00 0.00 0.00 0.00 47.33 48.33 1iru h GLY 162 CO -0.38 -0.30 -0.04 -2.22 0.00 0.00 0.00 176.54 173.59 1iru h ILE 163 N -1.04 0.06 0.16 2.60 2.04 -0.65 -0.72 117.51 119.97 1iru h ILE 163 Ca -0.08 -0.01 -0.33 0.00 1.00 0.00 0.00 64.86 65.44 1iru h ILE 163 Cb 0.67 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1iru h ILE 163 CO 0.13 0.00 -1.62 -0.26 0.00 0.00 0.00 178.15 176.41 1iru h PHE 164 N 0.02 0.63 -0.00 1.37 -1.00 -1.37 -3.37 116.94 113.21 1iru h PHE 164 Ca 0.54 -0.46 0.00 0.00 2.81 0.00 0.00 57.97 60.86 1iru h PHE 164 Cb 1.04 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.57 1iru h PHE 164 CO -0.55 1.53 -0.21 0.09 -1.61 0.00 0.00 178.31 177.55 1iru n ASN 165 N -3.54 0.31 -3.99 2.17 3.02 -0.83 -4.77 115.26 107.62 1iru n ASN 165 Ca -0.20 -0.04 -0.30 0.00 -0.03 0.00 0.00 54.58 54.01 1iru n ASN 165 Cb 1.06 -0.12 -0.16 0.00 -0.61 0.00 0.00 39.78 39.96 1iru n ASN 165 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1iru s ASP 166 N -2.87 3.18 0.25 6.41 2.15 -0.31 -4.98 116.67 120.49 1iru s ASP 166 Ca 0.16 -0.77 0.15 0.00 0.43 0.00 0.00 52.55 52.53 1iru s ASP 166 Cb 0.19 -1.20 0.84 0.00 -0.30 0.00 0.00 42.92 42.45 1iru s ASP 166 CO 0.58 -0.13 1.45 0.18 -0.17 0.00 0.00 175.17 177.09 1iru n LEU 167 N 4.72 0.40 -0.19 -1.34 4.77 -1.26 -0.36 117.00 123.74 1iru n LEU 167 Ca -0.15 0.67 0.14 0.00 -0.03 0.00 0.00 56.01 56.63 1iru n LEU 167 Cb 0.47 -0.70 0.54 0.00 -2.33 0.00 0.00 43.42 41.40 1iru n LEU 167 CO 0.20 -0.80 0.81 0.61 -1.33 0.00 0.00 177.39 176.88 1iru n GLY 168 N -1.33 -0.73 3.19 -0.72 0.00 -1.26 -4.85 105.19 99.49 1iru n GLY 168 Ca -0.01 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 1iru n GLY 168 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iru s SER 169 N -2.41 1.95 0.00 1.61 0.01 0.52 -0.21 113.70 115.17 1iru s SER 169 Ca 0.29 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1iru s SER 169 Cb 0.20 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1iru s SER 169 CO 0.47 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.76 1iru n GLY 170 N 1.57 0.73 7.00 3.44 0.00 -1.26 -4.60 105.19 112.07 1iru n GLY 170 Ca -0.19 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1iru n GLY 170 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iru n SER 171 N -0.14 0.00 -4.86 1.61 7.64 -1.26 -2.82 113.62 113.78 1iru n SER 171 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1iru n SER 171 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1iru n SER 171 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1iru s ASN 172 N -4.00 5.11 -0.28 6.43 0.01 -1.26 -4.54 114.94 116.42 1iru s ASN 172 Ca 0.00 1.15 -0.03 0.00 -0.71 0.00 0.00 52.86 53.27 1iru s ASN 172 Cb 0.00 -1.91 0.03 0.00 0.41 0.00 0.00 41.25 39.78 1iru s ASN 172 CO 0.00 -1.56 -0.01 -0.63 -1.51 0.00 0.00 177.10 173.39 1iru s ILE 173 N -3.32 3.11 0.19 0.60 1.01 -1.10 -2.30 121.20 119.39 1iru s ILE 173 Ca 0.59 -1.11 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1iru s ILE 173 Cb -0.12 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1iru s ILE 173 CO 0.52 0.06 0.36 -1.81 0.00 0.00 0.00 174.94 174.06 1iru s ASP 174 N 1.33 6.36 0.19 3.58 1.01 -0.28 -1.57 116.67 127.29 1iru s ASP 174 Ca -0.02 0.30 0.01 0.00 0.71 0.00 0.00 52.55 53.55 1iru s ASP 174 Cb -0.18 -1.96 -0.05 0.00 1.01 0.00 0.00 42.92 41.74 1iru s ASP 174 CO -0.02 -0.02 0.04 -0.76 0.21 0.00 0.00 175.17 174.62 1iru s LEU 175 N -3.37 1.90 -0.23 1.23 1.43 -0.13 -2.66 118.68 116.85 1iru s LEU 175 Ca 0.37 -1.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.15 1iru s LEU 175 Cb -0.11 0.03 0.10 0.00 0.03 0.00 0.00 46.19 46.24 1iru s LEU 175 CO 0.29 -0.64 0.48 0.00 0.23 0.00 0.00 176.35 176.71 1iru s VAL 177 N 2.69 3.29 -0.13 0.00 1.01 0.21 -0.31 120.40 127.15 1iru s VAL 177 Ca -0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 1iru s VAL 177 Cb -0.12 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.90 1iru s VAL 177 CO -0.15 0.52 -0.03 -0.63 0.00 0.00 0.00 175.10 174.81 1iru s ILE 178 N 0.30 0.81 0.30 2.22 1.01 0.34 -0.26 121.20 125.93 1iru s ILE 178 Ca -0.08 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.30 1iru s ILE 178 Cb -0.15 -0.99 -0.06 0.00 0.01 0.00 0.00 42.46 41.27 1iru s ILE 178 CO 0.05 0.18 -0.03 -0.94 0.00 0.00 0.00 174.94 174.20 1iru s SER 179 N 1.78 2.78 0.02 3.58 1.04 0.25 -0.05 113.70 123.09 1iru s SER 179 Ca 0.03 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.21 1iru s SER 179 Cb -0.14 -0.17 0.02 0.00 0.10 0.00 0.00 66.02 65.83 1iru s SER 179 CO -0.07 -0.41 0.65 2.29 0.98 0.00 0.00 173.24 176.68 1iru n LYS 180 N -0.64 0.00 0.00 4.02 0.00 -1.18 -1.68 118.16 118.68 1iru n LYS 180 Ca -0.05 0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1iru n LYS 180 Cb 0.64 -1.89 0.00 0.00 -0.00 0.00 0.00 35.03 33.79 1iru n LYS 180 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1iru n ASN 181 N -1.17 0.00 -4.10 -5.58 0.23 -1.26 -5.13 115.26 98.25 1iru n ASN 181 Ca -0.00 -1.00 -0.10 0.00 -0.53 0.00 0.00 54.58 52.95 1iru n ASN 181 Cb 0.38 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.98 1iru n ASN 181 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1iru s LYS 182 N 0.00 0.63 -0.34 -3.83 2.20 -0.68 -5.11 119.74 112.61 1iru s LYS 182 Ca 0.00 -1.08 0.01 0.00 -0.36 0.00 0.00 55.97 54.54 1iru s LYS 182 Cb 0.00 -0.06 0.14 0.00 -1.51 0.00 0.00 37.83 36.40 1iru s LYS 182 CO 0.00 -0.04 0.28 -1.17 -0.36 0.00 0.00 175.35 174.07 1iru s LEU 183 N -2.48 0.28 -0.52 5.43 2.96 -1.26 -0.58 118.68 122.51 1iru s LEU 183 Ca 0.02 -1.57 -0.17 0.00 -0.22 0.00 0.00 54.13 52.19 1iru s LEU 183 Cb 0.01 0.16 0.10 0.00 0.50 0.00 0.00 46.19 46.95 1iru s LEU 183 CO -0.05 -0.32 0.52 -1.81 -1.32 0.00 0.00 176.35 173.37 1iru s ASP 184 N 1.58 6.18 -1.13 3.68 1.11 0.64 -4.95 116.67 123.78 1iru s ASP 184 Ca 0.15 -1.46 -0.13 0.00 0.18 0.00 0.00 52.55 51.29 1iru s ASP 184 Cb -0.17 -2.23 0.20 0.00 1.07 0.00 0.00 42.92 41.79 1iru s ASP 184 CO -0.12 -0.84 1.28 0.12 1.18 0.00 0.00 175.17 176.80 1iru s PHE 185 N 1.93 3.68 -0.79 4.23 5.36 -1.26 -0.62 117.98 130.51 1iru s PHE 185 Ca 0.06 -2.20 -0.26 0.00 -0.96 0.00 0.00 56.93 53.58 1iru s PHE 185 Cb -0.26 -4.16 0.01 0.00 -0.34 0.00 0.00 43.02 38.27 1iru s PHE 185 CO 0.06 -1.27 1.60 -0.51 -1.46 0.00 0.00 175.22 173.65 1iru s LEU 186 N 0.86 3.27 0.00 6.12 1.43 -0.92 -4.95 118.68 124.49 1iru s LEU 186 Ca 0.37 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1iru s LEU 186 Cb -0.05 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.61 1iru s LEU 186 CO -0.04 -2.09 0.00 -1.14 0.23 0.00 0.00 176.35 173.31 1iru n ARG 187 N 9.13 0.00 -1.65 1.70 3.00 -1.26 -0.95 116.66 126.62 1iru n ARG 187 Ca 0.21 0.00 -0.48 0.00 -0.00 0.00 0.00 57.85 57.58 1iru n ARG 187 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.91 1iru n ARG 187 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1iru n PRO 188 N 0.00 2.13 -0.10 -0.14 -0.02 -1.26 -3.88 135.00 131.72 1iru n PRO 188 Ca 0.00 0.76 -0.13 0.00 -2.02 0.00 0.00 63.50 62.11 1iru n PRO 188 Cb 0.00 -2.71 -0.11 0.00 -0.02 0.00 0.00 33.50 30.66 1iru n PRO 188 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1iru n TYR 189 N 7.42 0.00 -3.96 6.00 9.36 -0.61 -4.97 117.16 130.39 1iru n TYR 189 Ca 0.25 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.38 1iru n TYR 189 Cb 0.31 -0.85 -0.08 0.00 -0.63 0.00 0.00 39.34 38.08 1iru n TYR 189 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1iru s THR 190 N -2.43 0.17 -0.45 2.97 2.01 -1.09 -5.02 115.64 111.79 1iru s THR 190 Ca -0.22 -1.46 0.07 0.00 0.31 0.00 0.00 61.69 60.38 1iru s THR 190 Cb 0.07 -1.45 0.23 0.00 0.01 0.00 0.00 72.50 71.35 1iru s THR 190 CO 0.58 -0.77 0.67 0.52 -0.69 0.00 0.00 174.62 174.93 1iru n VAL 191 N 0.00 -0.39 1.29 3.82 0.31 -1.26 -2.72 118.33 119.38 1iru n VAL 191 Ca -0.14 -2.48 0.00 0.00 -0.01 0.00 0.00 64.34 61.70 1iru n VAL 191 Cb 0.62 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 1iru n VAL 191 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1iru n PRO 192 N 1.95 0.96 -3.81 5.55 -0.04 -1.26 -4.73 135.00 133.62 1iru n PRO 192 Ca 0.17 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.42 1iru n PRO 192 Cb 0.57 -1.32 -0.17 0.00 -0.04 0.00 0.00 33.50 32.53 1iru n PRO 192 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1iru s ASN 193 N -0.37 1.28 0.01 3.54 0.01 -1.26 -5.06 114.94 113.09 1iru s ASN 193 Ca 0.00 -0.05 0.06 0.00 -0.71 0.00 0.00 52.86 52.16 1iru s ASN 193 Cb 0.00 -0.36 -0.02 0.00 0.41 0.00 0.00 41.25 41.29 1iru s ASN 193 CO 0.00 -0.18 -0.17 -0.75 -1.51 0.00 0.00 177.10 174.49 1iru s LYS 194 N 1.78 1.29 0.04 -0.60 2.47 -1.26 -4.92 119.74 118.53 1iru s LYS 194 Ca 0.01 -0.72 -0.30 0.00 -1.56 0.00 0.00 55.97 53.40 1iru s LYS 194 Cb -0.13 -1.30 -0.06 0.00 -1.46 0.00 0.00 37.83 34.89 1iru s LYS 194 CO -0.04 0.34 1.33 0.21 0.16 0.00 0.00 175.35 177.36 1iru s LYS 195 N -0.74 4.33 0.27 4.03 2.20 -1.26 -4.94 119.74 123.64 1iru s LYS 195 Ca 0.06 1.92 -0.29 0.00 -0.36 0.00 0.00 55.97 57.29 1iru s LYS 195 Cb -0.07 -3.44 -0.14 0.00 -1.51 0.00 0.00 37.83 32.66 1iru s LYS 195 CO 0.00 -0.46 1.14 0.41 -0.36 0.00 0.00 175.35 176.09 1iru n GLY 196 N 3.49 0.09 3.63 5.54 0.00 -1.26 -4.83 105.19 111.84 1iru n GLY 196 Ca 0.12 0.38 -0.43 0.00 0.00 0.00 0.00 46.02 46.09 1iru n GLY 196 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iru n THR 197 N 0.70 0.53 -1.58 2.61 -2.24 -1.26 -4.87 114.28 108.17 1iru n THR 197 Ca 0.10 -0.32 -0.60 0.00 -2.27 0.00 0.00 64.05 60.96 1iru n THR 197 Cb 0.31 -2.45 -0.09 0.00 -2.10 0.00 0.00 70.33 66.00 1iru n THR 197 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1iru n ARG 198 N 8.22 0.58 -0.12 -0.78 0.63 -1.26 -4.86 116.66 119.07 1iru n ARG 198 Ca 0.26 0.20 0.10 0.00 -0.92 0.00 0.00 57.85 57.49 1iru n ARG 198 Cb 0.43 -1.87 0.31 0.00 0.45 0.00 0.00 32.46 31.78 1iru n ARG 198 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1iru n LEU 199 N 6.19 2.19 0.00 6.15 4.32 -1.26 -4.96 117.00 129.64 1iru n LEU 199 Ca 0.36 -0.95 -0.16 0.00 -0.02 0.00 0.00 56.01 55.25 1iru n LEU 199 Cb 0.06 -0.16 -0.05 0.00 -1.62 0.00 0.00 43.42 41.64 1iru n LEU 199 CO 0.84 0.47 0.04 0.61 -1.22 0.00 0.00 177.39 178.14 1iru n GLY 200 N 1.23 2.54 3.22 -0.72 0.00 -1.26 -5.16 105.19 105.04 1iru n GLY 200 Ca 0.17 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 1iru n GLY 200 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iru s ARG 201 N -2.99 1.99 0.00 1.61 0.52 -1.26 -5.00 118.95 113.83 1iru s ARG 201 Ca 0.32 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 1iru s ARG 201 Cb 0.00 -1.80 0.00 0.00 0.52 0.00 0.00 34.95 33.67 1iru s ARG 201 CO 0.23 0.39 0.00 0.66 0.02 0.00 0.00 175.30 176.60 1iru n TYR 202 N 2.80 0.00 -1.39 -0.53 4.02 -1.26 -5.09 117.16 115.72 1iru n TYR 202 Ca -0.17 0.00 -0.54 0.00 -0.01 0.00 0.00 57.90 57.18 1iru n TYR 202 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.77 1iru n TYR 202 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1iru n ARG 203 N -0.00 0.00 -2.59 -0.72 0.63 -1.26 -4.79 116.66 107.92 1iru n ARG 203 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 1iru n ARG 203 Cb 0.20 -1.25 -0.02 0.00 0.45 0.00 0.00 32.46 31.84 1iru n ARG 203 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1iru s GLU 205 N 3.77 4.54 0.02 0.00 0.41 -1.26 -4.96 118.70 121.22 1iru s GLU 205 Ca 0.48 1.26 -0.31 0.00 -0.41 0.00 0.00 54.97 55.99 1iru s GLU 205 Cb -0.13 -3.44 -0.16 0.00 -1.78 0.00 0.00 34.13 28.62 1iru s GLU 205 CO 0.17 0.04 0.82 0.36 -0.49 0.00 0.00 175.26 176.16 1iru n LYS 206 N 3.62 0.00 0.00 1.61 2.85 -1.26 -1.49 118.16 123.50 1iru n LYS 206 Ca 0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1iru n LYS 206 Cb 0.51 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.72 1iru n LYS 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1iru n GLY 207 N 1.25 3.10 0.24 2.58 0.00 -1.26 -4.93 105.19 106.17 1iru n GLY 207 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.28 1iru n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iru h THR 208 N 0.00 0.78 -3.45 2.61 1.03 -1.65 -3.41 112.91 108.82 1iru h THR 208 Ca 0.00 -0.68 -0.68 0.00 -0.01 0.00 0.00 66.41 65.03 1iru h THR 208 Cb 0.00 1.41 -0.18 0.00 -1.07 0.00 0.00 68.15 68.31 1iru h THR 208 CO 0.00 0.17 -0.04 -0.89 -0.01 0.00 0.00 175.52 174.75 1iru s THR 209 N -4.26 4.95 0.08 0.00 2.01 -1.26 -5.04 115.64 112.13 1iru s THR 209 Ca -0.03 -0.30 -0.31 0.00 0.31 0.00 0.00 61.69 61.36 1iru s THR 209 Cb 0.14 -4.17 -0.09 0.00 0.01 0.00 0.00 72.50 68.39 1iru s THR 209 CO 0.63 -0.60 1.70 0.00 -0.69 0.00 0.00 174.62 175.65 1iru s ALA 210 N 2.46 3.70 0.10 7.40 0.00 -1.26 -4.99 121.76 129.16 1iru s ALA 210 Ca 0.16 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.40 1iru s ALA 210 Cb -0.17 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 1iru s ALA 210 CO 0.14 -1.14 0.16 0.08 0.00 0.00 0.00 175.76 175.00 1iru s VAL 211 N 2.71 4.89 -0.04 0.00 1.01 -1.26 -5.03 120.40 122.68 1iru s VAL 211 Ca 0.76 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 62.10 1iru s VAL 211 Cb -0.41 -3.41 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 1iru s VAL 211 CO 0.33 0.06 0.15 0.18 0.00 0.00 0.00 175.10 175.82 1iru n LEU 212 N 0.13 0.04 -3.63 3.92 4.77 -1.26 -5.04 117.00 115.92 1iru n LEU 212 Ca -0.07 -0.07 -0.14 0.00 -0.03 0.00 0.00 56.01 55.70 1iru n LEU 212 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1iru n LEU 212 CO 0.47 0.01 0.38 -0.89 -1.33 0.00 0.00 177.39 176.03 1iru s THR 213 N -2.31 0.00 0.11 -5.08 2.01 -1.26 -5.17 115.64 103.93 1iru s THR 213 Ca -0.02 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.01 1iru s THR 213 Cb 0.04 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1iru s THR 213 CO 0.25 -0.00 -0.09 -1.61 -0.69 0.00 0.00 174.62 172.48 1iru s GLU 214 N 0.16 0.88 -0.30 4.92 0.41 -1.26 -5.14 118.70 118.37 1iru s GLU 214 Ca -0.01 -1.25 -0.16 0.00 -0.41 0.00 0.00 54.97 53.14 1iru s GLU 214 Cb -0.04 -0.48 0.16 0.00 -1.78 0.00 0.00 34.13 31.99 1iru s GLU 214 CO 0.02 0.06 1.03 0.21 -0.49 0.00 0.00 175.26 176.09 1iru s LYS 215 N -3.17 0.29 0.37 1.61 2.36 -1.26 -5.18 119.74 114.76 1iru s LYS 215 Ca 0.09 0.60 0.08 0.00 -2.55 0.00 0.00 55.97 54.18 1iru s LYS 215 Cb -0.00 0.22 -0.04 0.00 -1.05 0.00 0.00 37.83 36.96 1iru s LYS 215 CO -0.01 -0.08 0.20 0.42 1.55 0.00 0.00 175.35 177.44 1iru s ILE 216 N 1.83 2.78 -0.28 5.43 -1.09 -1.26 -5.13 121.20 123.47 1iru s ILE 216 Ca -0.06 -1.61 -0.07 0.00 -2.23 0.00 0.00 60.65 56.68 1iru s ILE 216 Cb -0.04 -3.00 0.14 0.00 -1.58 0.00 0.00 42.46 37.98 1iru s ILE 216 CO -0.16 -0.10 0.59 -0.89 -1.23 0.00 0.00 174.94 173.16 1iru s THR 217 N -2.48 -0.93 0.14 2.92 2.01 -1.26 -5.15 115.64 110.89 1iru s THR 217 Ca 0.41 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.13 1iru s THR 217 Cb -0.01 -0.94 -0.07 0.00 0.01 0.00 0.00 72.50 71.49 1iru s THR 217 CO 0.24 0.00 0.94 -2.84 -0.69 0.00 0.00 174.62 172.27 1iru s PRO 218 N 2.83 4.72 0.00 4.92 0.02 -1.26 -5.07 135.00 141.16 1iru s PRO 218 Ca 0.02 1.43 0.00 0.00 0.02 0.00 0.00 61.00 62.47 1iru s PRO 218 Cb -0.13 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.04 1iru s PRO 218 CO -0.18 0.30 0.00 1.28 -0.33 0.00 0.00 177.00 178.06 1iru n LEU 219 N 2.46 0.00 0.00 -5.54 4.77 -1.26 -5.38 117.00 112.05 1iru n LEU 219 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1iru n LEU 219 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1iru n LEU 219 CO 0.50 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.94