#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 0.46 0.01 12.58 2.01 -1.26 -0.12 115.64 129.32 1iru s THR 2 Ca 0.00 0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.05 1iru s THR 2 Cb 0.00 -0.63 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 1iru s THR 2 CO 0.00 0.23 -0.08 0.27 -0.69 0.00 0.00 174.62 174.35 1iru s ILE 3 N 1.93 0.65 0.21 1.82 -4.36 -1.01 -1.88 121.20 118.57 1iru s ILE 3 Ca 0.05 -0.56 -0.15 0.00 -0.26 0.00 0.00 60.65 59.72 1iru s ILE 3 Cb -0.13 -0.59 0.01 0.00 1.25 0.00 0.00 42.46 43.01 1iru s ILE 3 CO -0.06 0.04 0.49 0.00 0.24 0.00 0.00 174.94 175.65 1iru s ALA 4 N -0.50 -0.62 0.01 2.27 0.00 -1.12 -1.52 121.76 120.28 1iru s ALA 4 Ca 0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 51.96 51.28 1iru s ALA 4 Cb -0.05 0.91 0.03 0.00 0.00 0.00 0.00 23.12 24.01 1iru s ALA 4 CO 0.00 -0.81 0.37 0.20 0.00 0.00 0.00 175.76 175.52 1iru s GLY 5 N -2.93 -0.22 0.05 0.00 0.00 -0.77 0.47 107.32 103.93 1iru s GLY 5 Ca 0.14 0.36 0.01 0.00 0.00 0.00 0.00 44.72 45.23 1iru s GLY 5 CO 0.02 0.12 -0.06 0.54 0.00 0.00 0.00 173.10 173.72 1iru s VAL 6 N -1.84 0.43 -0.29 1.40 0.11 -0.20 -1.77 120.40 118.24 1iru s VAL 6 Ca -0.10 -1.37 -0.06 0.00 -2.93 0.00 0.00 61.98 57.52 1iru s VAL 6 Cb -0.03 -0.94 0.01 0.00 -1.53 0.00 0.00 36.38 33.89 1iru s VAL 6 CO 0.02 -0.63 0.07 -0.69 -3.33 0.00 0.00 175.10 170.54 1iru s VAL 7 N -2.37 3.88 0.48 2.04 1.01 0.16 -2.06 120.40 123.55 1iru s VAL 7 Ca -0.03 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1iru s VAL 7 Cb -0.03 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1iru s VAL 7 CO -0.03 0.09 0.19 -0.72 0.00 0.00 0.00 175.10 174.63 1iru s TYR 8 N 1.49 2.13 0.32 5.22 -0.85 -0.52 -4.45 117.35 120.68 1iru s TYR 8 Ca 0.02 -0.76 0.05 0.00 -0.52 0.00 0.00 57.07 55.86 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 0.02 0.02 1.58 1.57 -1.52 0.00 0.00 175.55 177.22 1iru h LYS 9 N 1.23 0.02 0.00 -3.49 5.09 -1.57 -2.40 116.57 115.44 1iru h LYS 9 Ca -0.41 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.32 1iru h LYS 9 Cb 1.28 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.61 1iru h LYS 9 CO 0.68 0.01 -1.09 -0.25 -2.09 0.00 0.00 179.45 176.71 1iru n ASP 10 N -5.43 0.82 0.00 7.07 8.00 -1.26 -5.03 116.55 120.71 1iru n ASP 10 Ca 0.25 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 55.03 1iru n ASP 10 Cb 0.84 1.20 0.00 0.00 -0.02 0.00 0.00 41.12 43.13 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 3.02 0.44 0.00 -0.91 -3.06 105.19 105.62 1iru n GLY 11 Ca 0.02 0.31 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 0.10 -0.07 -0.61 1.01 0.97 -1.44 121.20 121.16 1iru s ILE 12 Ca 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1iru s ILE 12 Cb 0.00 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 42.14 1iru s ILE 12 CO 0.00 -0.48 -0.12 -0.69 0.00 0.00 0.00 174.94 173.65 1iru s VAL 13 N -1.51 1.15 -0.07 2.92 1.01 -0.87 -0.41 120.40 122.61 1iru s VAL 13 Ca -0.15 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1iru s VAL 13 Cb -0.09 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 1iru s VAL 13 CO -0.00 0.36 -0.16 -0.76 0.00 0.00 0.00 175.10 174.54 1iru s LEU 14 N 0.79 2.62 0.42 3.92 1.43 0.47 -1.03 118.68 127.30 1iru s LEU 14 Ca -0.12 -0.28 0.06 0.00 -1.03 0.00 0.00 54.13 52.76 1iru s LEU 14 Cb -0.15 -1.54 -0.07 0.00 0.03 0.00 0.00 46.19 44.46 1iru s LEU 14 CO 0.02 0.28 0.05 -0.83 0.23 0.00 0.00 176.35 176.10 1iru s GLY 15 N -0.34 2.53 0.00 -3.19 0.00 0.18 -1.13 107.32 105.36 1iru s GLY 15 Ca 0.03 -2.08 0.00 0.00 0.00 0.00 0.00 44.72 42.67 1iru s GLY 15 CO 0.02 -2.07 0.00 0.00 0.00 0.00 0.00 173.10 171.05 1iru n ALA 16 N -1.06 0.00 -1.14 3.20 0.00 -1.09 -2.78 120.51 117.64 1iru n ALA 16 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.29 1iru n ALA 16 Cb 0.67 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.23 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 -1.10 -0.12 0.00 3.85 -0.79 -1.07 116.55 117.32 1iru n ASP 17 Ca 0.00 -0.93 0.02 0.00 -0.71 0.00 0.00 54.79 53.17 1iru n ASP 17 Cb 0.00 -0.48 0.02 0.00 -1.35 0.00 0.00 41.12 39.31 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 -3.42 0.58 -3.12 2.12 -2.24 -0.96 -4.63 114.28 102.61 1iru n THR 18 Ca 0.07 -0.65 -0.38 0.00 -2.27 0.00 0.00 64.05 60.83 1iru n THR 18 Cb 0.28 0.55 -0.06 0.00 -2.10 0.00 0.00 70.33 68.99 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 -0.75 4.33 -0.05 -0.78 3.52 -1.18 0.56 118.95 124.60 1iru s ARG 19 Ca 0.05 0.91 0.02 0.00 -0.13 0.00 0.00 55.73 56.59 1iru s ARG 19 Cb 0.05 -3.09 0.01 0.00 -1.56 0.00 0.00 34.95 30.36 1iru s ARG 19 CO 0.01 0.51 -0.10 0.00 -0.81 0.00 0.00 175.30 174.91 1iru s ALA 20 N -1.30 1.04 0.04 6.12 0.00 -0.18 -4.74 121.76 122.74 1iru s ALA 20 Ca 0.37 -0.34 0.07 0.00 0.00 0.00 0.00 51.96 52.06 1iru s ALA 20 Cb -0.19 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1iru s ALA 20 CO 0.22 0.11 -0.19 0.95 0.00 0.00 0.00 175.76 176.86 1iru s THR 21 N 0.51 1.51 -0.68 0.00 -4.23 -1.26 -0.37 115.64 111.12 1iru s THR 21 Ca -0.10 -1.11 -0.02 0.00 -1.18 0.00 0.00 61.69 59.28 1iru s THR 21 Cb -0.13 -1.32 0.17 0.00 1.34 0.00 0.00 72.50 72.57 1iru s THR 21 CO 0.02 0.17 0.51 -1.83 -0.54 0.00 0.00 174.62 172.95 1iru s GLU 22 N -1.10 2.70 4.52 3.99 -1.05 -0.10 -4.85 118.70 122.81 1iru s GLU 22 Ca 0.06 -2.71 0.00 0.00 -0.15 0.00 0.00 54.97 52.17 1iru s GLU 22 Cb -0.08 -3.76 0.00 0.00 -0.44 0.00 0.00 34.13 29.84 1iru s GLU 22 CO 0.01 -1.20 0.00 0.41 0.95 0.00 0.00 175.26 175.44 1iru n GLY 23 N 3.20 0.82 1.44 -3.83 0.00 -1.26 -3.43 105.19 102.12 1iru n GLY 23 Ca 0.11 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 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 8.38 2.07 -4.99 1.61 2.81 -1.26 -4.93 117.12 120.80 1iru n MET 24 Ca 0.00 -3.13 -0.27 0.00 -1.81 0.00 0.00 57.70 52.49 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 -3.23 1.61 -0.31 2.03 1.01 -1.22 -5.10 120.40 115.18 1iru s VAL 25 Ca 0.48 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 61.32 1iru s VAL 25 Cb 0.42 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 35.48 1iru s VAL 25 CO 0.03 0.45 0.98 -0.69 0.00 0.00 0.00 175.10 175.88 1iru s VAL 26 N -0.42 4.61 -0.13 2.92 1.01 -1.26 -0.93 120.40 126.20 1iru s VAL 26 Ca 0.06 1.58 -0.11 0.00 0.00 0.00 0.00 61.98 63.51 1iru s VAL 26 Cb -0.08 -4.33 -0.25 0.00 0.00 0.00 0.00 36.38 31.72 1iru s VAL 26 CO -0.00 -0.39 0.38 0.00 0.00 0.00 0.00 175.10 175.08 1iru h ALA 27 N 8.06 0.35 -3.26 5.51 0.00 -1.04 -3.46 119.26 125.42 1iru h ALA 27 Ca -0.22 -1.31 -0.53 0.00 0.00 0.00 0.00 54.91 52.86 1iru h ALA 27 Cb 1.07 0.67 -0.36 0.00 0.00 0.00 0.00 17.79 19.18 1iru h ALA 27 CO 0.98 1.12 -0.81 0.34 0.00 0.00 0.00 179.25 180.88 1iru s ASP 28 N -7.03 2.06 0.18 0.00 -1.08 -0.96 -4.99 116.67 104.87 1iru s ASP 28 Ca -0.23 -0.31 0.25 0.00 -0.52 0.00 0.00 52.55 51.74 1iru s ASP 28 Cb 0.06 -0.85 0.51 0.00 -1.46 0.00 0.00 42.92 41.18 1iru s ASP 28 CO 0.74 -0.07 1.51 0.11 0.52 0.00 0.00 175.17 177.98 1iru h LYS 29 N 7.77 0.00 -2.30 4.34 1.57 -1.86 -0.45 116.57 125.64 1iru h LYS 29 Ca -0.31 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.89 1iru h LYS 29 Cb 1.15 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.07 1iru h LYS 29 CO 0.44 0.00 -0.96 -1.71 -0.57 0.00 0.00 179.45 176.64 1iru n ASN 30 N -2.28 0.26 -4.86 0.86 4.05 -1.13 -4.31 115.26 107.84 1iru n ASN 30 Ca 0.04 -2.61 -0.34 0.00 0.45 0.00 0.00 54.58 52.13 1iru n ASN 30 Cb 0.45 -0.60 -0.05 0.00 1.23 0.00 0.00 39.78 40.80 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 -2.02 6.23 -0.00 0.00 0.15 -1.26 -4.55 113.70 112.25 1iru s SER 32 Ca 0.41 -0.49 0.21 0.00 0.70 0.00 0.00 55.95 56.77 1iru s SER 32 Cb -0.13 -2.25 -0.24 0.00 -1.71 0.00 0.00 66.02 61.70 1iru s SER 32 CO 0.20 -0.59 0.83 0.29 1.20 0.00 0.00 173.24 175.17 1iru n LYS 33 N 5.74 0.24 -3.41 5.44 5.02 -1.26 -4.83 118.16 125.10 1iru n LYS 33 Ca -0.06 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.78 1iru n LYS 33 Cb 0.48 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.92 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 -3.01 5.19 0.12 -0.18 1.01 -1.26 -1.42 121.20 121.65 1iru s ILE 34 Ca 0.06 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1iru s ILE 34 Cb 0.15 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1iru s ILE 34 CO 0.85 -0.30 0.31 -1.00 0.00 0.00 0.00 174.94 174.80 1iru s HIS 35 N 1.89 3.49 -0.15 3.97 3.76 0.32 -4.90 115.29 123.67 1iru s HIS 35 Ca 0.08 0.35 -0.21 0.00 -0.15 0.00 0.00 55.06 55.13 1iru s HIS 35 Cb -0.18 -1.85 -0.03 0.00 1.11 0.00 0.00 32.58 31.63 1iru s HIS 35 CO 0.12 0.49 0.63 0.12 -0.85 0.00 0.00 174.74 175.25 1iru s PHE 36 N -1.65 3.45 0.00 1.40 5.36 -1.26 0.23 117.98 125.50 1iru s PHE 36 Ca 0.38 1.02 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 1iru s PHE 36 Cb -0.12 -2.77 0.00 0.00 -0.34 0.00 0.00 43.02 39.79 1iru s PHE 36 CO 0.27 -0.05 0.00 -0.89 -1.46 0.00 0.00 175.22 173.09 1iru n ILE 37 N 4.28 0.00 -4.55 3.12 2.08 -0.22 -4.79 119.36 119.28 1iru n ILE 37 Ca -0.02 0.07 -0.30 0.00 0.56 0.00 0.00 62.75 63.06 1iru n ILE 37 Cb 0.50 -1.00 -0.08 0.00 -0.75 0.00 0.00 39.64 38.32 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 -1.25 4.15 0.60 4.38 1.04 -0.62 -4.67 113.70 117.34 1iru s SER 38 Ca 0.00 -1.46 0.40 0.00 0.48 0.00 0.00 55.95 55.37 1iru s SER 38 Cb 0.00 0.12 2.05 0.00 0.10 0.00 0.00 66.02 68.28 1iru s SER 38 CO 0.00 -0.72 2.21 -0.65 0.98 0.00 0.00 173.24 175.05 1iru h PRO 39 N 1.42 0.00 -0.10 4.02 0.11 -1.99 -1.74 132.00 133.72 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 0.74 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.80 1iru n ASN 40 N -3.00 2.01 -3.90 -2.05 2.04 -1.26 -4.95 115.26 104.15 1iru n ASN 40 Ca -0.02 -1.67 -0.21 0.00 -0.44 0.00 0.00 54.58 52.24 1iru n ASN 40 Cb 0.13 -0.06 -0.17 0.00 -2.53 0.00 0.00 39.78 37.15 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 0.64 0.09 1.53 1.01 -0.65 -1.45 121.20 121.60 1iru s ILE 41 Ca 0.09 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.64 1iru s ILE 41 Cb 0.05 -0.66 -0.03 0.00 0.01 0.00 0.00 42.46 41.83 1iru s ILE 41 CO 0.07 0.26 -0.14 -0.31 0.00 0.00 0.00 174.94 174.82 1iru s TYR 42 N 1.06 1.28 -0.04 3.97 1.51 0.17 -1.05 117.35 124.26 1iru s TYR 42 Ca -0.09 -0.50 0.01 0.00 -1.01 0.00 0.00 57.07 55.48 1iru s TYR 42 Cb -0.14 -0.71 0.02 0.00 -0.11 0.00 0.00 41.96 41.03 1iru s TYR 42 CO -0.01 0.08 -0.02 0.00 -1.11 0.00 0.00 175.55 174.49 1iru s GLY 45 N -1.55 0.91 0.03 0.00 0.00 -0.51 -1.60 107.32 104.61 1iru s GLY 45 Ca 0.37 -0.69 0.04 0.00 0.00 0.00 0.00 44.72 44.44 1iru s GLY 45 CO 0.20 -0.37 -0.12 0.00 0.00 0.00 0.00 173.10 172.81 1iru s ALA 46 N 0.02 0.95 0.00 3.20 0.00 0.11 -4.91 121.76 121.12 1iru s ALA 46 Ca -0.03 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1iru s ALA 46 Cb -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1iru s ALA 46 CO 0.02 0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.35 1iru n GLY 47 N 2.01 0.21 3.51 0.00 0.00 -1.26 -0.81 105.19 108.85 1iru n GLY 47 Ca -0.18 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 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 4.41 0.17 2.61 2.01 -0.11 -4.92 115.64 119.80 1iru s THR 48 Ca 0.00 0.14 -0.24 0.00 0.31 0.00 0.00 61.69 61.89 1iru s THR 48 Cb 0.00 -4.54 0.02 0.00 0.01 0.00 0.00 72.50 67.99 1iru s THR 48 CO 0.00 -1.14 1.40 0.00 -0.69 0.00 0.00 174.62 174.19 1iru n ALA 49 N 7.41 -0.44 -0.31 7.40 0.00 -1.26 0.14 120.51 133.45 1iru n ALA 49 Ca 0.00 0.81 0.06 0.00 0.00 0.00 0.00 53.44 54.31 1iru n ALA 49 Cb 0.47 -0.21 0.21 0.00 0.00 0.00 0.00 19.45 19.92 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 0.70 1.32 -0.48 0.00 0.00 -1.96 0.58 119.26 119.41 1iru h ALA 50 Ca 0.20 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1iru h ALA 50 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1iru h ALA 50 CO -0.87 0.07 -0.08 -0.44 0.00 0.00 0.00 179.25 177.94 1iru h ASP 51 N 0.80 0.90 -0.41 0.00 3.32 -0.63 -1.69 116.42 118.71 1iru h ASP 51 Ca 0.45 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1iru h ASP 51 Cb 0.51 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1iru h ASP 51 CO -0.29 1.04 0.23 0.74 -1.72 0.00 0.00 179.24 179.23 1iru h THR 52 N 0.76 1.14 0.03 0.35 2.02 -0.02 -1.49 112.91 115.70 1iru h THR 52 Ca 0.13 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 1iru h THR 52 Cb 0.62 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1iru h THR 52 CO 0.04 0.16 -0.02 0.44 0.37 0.00 0.00 175.52 176.51 1iru h ASP 53 N 0.60 -0.04 -0.96 4.18 3.32 -0.44 -3.02 116.42 120.06 1iru h ASP 53 Ca 0.16 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.35 1iru h ASP 53 Cb 0.04 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.51 1iru h ASP 53 CO -0.02 -0.01 0.61 0.24 -1.72 0.00 0.00 179.24 178.33 1iru h MET 54 N -0.07 0.81 -0.23 3.56 2.86 -1.33 0.40 114.93 120.93 1iru h MET 54 Ca -0.00 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1iru h MET 54 Cb 0.04 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 1iru h MET 54 CO 0.01 0.54 -0.11 1.79 1.06 0.00 0.00 176.91 180.19 1iru h THR 55 N 0.83 1.30 -0.85 2.22 1.35 -1.42 0.40 112.91 116.75 1iru h THR 55 Ca 0.49 -1.18 -0.01 0.00 -0.55 0.00 0.00 66.41 65.17 1iru h THR 55 Cb 0.66 1.60 -0.04 0.00 -1.73 0.00 0.00 68.15 68.64 1iru h THR 55 CO -0.26 0.36 0.50 0.74 -0.25 0.00 0.00 175.52 176.62 1iru h THR 56 N 0.18 1.24 -0.41 6.82 2.02 -1.21 -1.09 112.91 120.46 1iru h THR 56 Ca 0.05 -0.54 -0.10 0.00 0.77 0.00 0.00 66.41 66.59 1iru h THR 56 Cb 0.60 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1iru h THR 56 CO 0.03 0.25 -0.14 1.56 0.37 0.00 0.00 175.52 177.60 1iru h GLN 57 N 1.17 0.82 0.04 6.66 4.20 -0.07 -2.25 115.11 125.67 1iru h GLN 57 Ca 0.30 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1iru h GLN 57 Cb -0.03 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1iru h GLN 57 CO -0.06 0.96 -0.02 1.25 -0.67 0.00 0.00 178.83 180.30 1iru h LEU 58 N 0.63 -0.04 -1.07 1.46 5.85 -0.50 0.82 115.31 122.46 1iru h LEU 58 Ca 0.10 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1iru h LEU 58 Cb 0.68 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1iru h LEU 58 CO 0.05 0.13 0.63 0.40 -0.34 0.00 0.00 178.44 179.31 1iru h ILE 59 N -0.21 1.21 0.83 4.05 1.08 -1.25 0.38 117.51 123.60 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 0.19 -0.15 0.00 0.00 -3.07 0.00 0.00 36.82 33.79 1iru h ILE 59 CO 0.01 0.23 -0.47 -1.28 -0.69 0.00 0.00 178.15 175.94 1iru h SER 60 N 1.25 -1.17 -0.88 1.72 0.87 -1.14 -0.26 113.55 113.95 1iru h SER 60 Ca 0.36 0.06 0.18 0.00 -1.23 0.00 0.00 61.79 61.15 1iru h SER 60 Cb -0.09 0.33 -0.11 0.00 -0.44 0.00 0.00 62.40 62.09 1iru h SER 60 CO -0.09 -0.75 0.43 -1.28 -0.53 0.00 0.00 176.83 174.61 1iru h SER 61 N -1.21 0.47 0.59 6.23 0.87 -0.27 0.11 113.55 120.35 1iru h SER 61 Ca -0.11 0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1iru h SER 61 Cb 0.96 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 1iru h SER 61 CO 0.14 0.14 -0.44 0.78 -0.53 0.00 0.00 176.83 176.92 1iru h ASN 62 N 0.55 0.00 1.32 6.23 2.35 -0.03 -2.72 115.58 123.27 1iru h ASN 62 Ca 0.51 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 56.12 1iru h ASN 62 Cb 0.82 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.17 1iru h ASN 62 CO -0.42 0.44 -0.69 -0.07 -1.65 0.00 0.00 177.43 175.04 1iru h LEU 63 N 0.00 0.00 -0.82 1.61 3.38 0.98 -1.29 115.31 119.17 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 0.06 0.66 -0.49 -0.08 0.09 0.00 0.00 178.44 178.68 1iru h GLU 64 N 0.00 0.00 0.06 1.13 4.81 -0.91 -1.11 114.58 118.57 1iru h GLU 64 Ca -0.01 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.98 1iru h GLU 64 Cb 1.51 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.89 1iru h GLU 64 CO 0.08 0.49 -1.06 1.25 -0.73 0.00 0.00 179.01 179.04 1iru h LEU 65 N 0.00 0.34 0.47 1.64 5.85 -1.41 -2.56 115.31 119.63 1iru h LEU 65 Ca -0.00 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 1iru h LEU 65 Cb 1.01 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1iru h LEU 65 CO 0.06 1.19 -0.22 -0.74 -0.34 0.00 0.00 178.44 178.39 1iru h HIS 66 N 0.10 -0.58 0.00 1.25 2.76 -0.79 -3.18 115.15 114.71 1iru h HIS 66 Ca -0.08 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 1iru h HIS 66 Cb 1.76 0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.91 1iru h HIS 66 CO 0.05 -0.30 0.00 0.66 -1.30 0.00 0.00 177.93 177.03 1iru h SER 67 N -1.11 0.00 0.94 3.26 4.64 -1.35 -0.32 113.55 119.61 1iru h SER 67 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1iru h SER 67 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1iru h SER 67 CO 0.11 0.00 0.00 0.25 -0.87 0.00 0.00 176.83 176.32 1iru h LEU 68 N 0.00 0.00 0.00 5.97 5.85 -1.44 -1.01 115.31 124.68 1iru h LEU 68 Ca 0.00 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.48 1iru h LEU 68 Cb 0.29 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1iru h LEU 68 CO 0.00 0.00 -1.88 -0.24 -0.34 0.00 0.00 178.44 175.98 1iru n SER 69 N -2.31 2.43 0.22 1.25 2.88 -0.23 -4.50 113.62 113.36 1iru n SER 69 Ca 0.03 -0.02 0.10 0.00 -1.33 0.00 0.00 58.87 57.65 1iru n SER 69 Cb 0.29 -0.30 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 -0.14 0.59 0.00 2.46 1.35 -1.34 -3.46 112.91 112.37 1iru h THR 70 Ca -0.36 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 1iru h THR 70 Cb 1.49 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 1iru h THR 70 CO -0.10 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 1iru n GLY 71 N 0.13 1.53 2.56 5.82 0.00 -0.38 -4.99 105.19 109.86 1iru n GLY 71 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.61 -3.84 1.61 1.74 -1.25 -5.02 116.66 108.51 1iru n ARG 72 Ca 0.00 -1.99 -0.37 0.00 -0.77 0.00 0.00 57.85 54.72 1iru n ARG 72 Cb 0.00 -0.22 -0.06 0.00 -1.02 0.00 0.00 32.46 31.16 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 4.38 0.47 0.55 2.96 -1.26 -4.67 118.68 121.11 1iru s LEU 73 Ca 0.41 0.49 -0.22 0.00 -0.22 0.00 0.00 54.13 54.59 1iru s LEU 73 Cb -0.03 -2.11 -0.10 0.00 0.50 0.00 0.00 46.19 44.45 1iru s LEU 73 CO 0.26 0.38 0.85 -2.65 -1.32 0.00 0.00 176.35 173.87 1iru n PRO 74 N 2.10 1.01 -4.01 0.98 -0.02 -1.26 -4.95 135.00 128.85 1iru n PRO 74 Ca -0.19 0.37 -0.25 0.00 -2.02 0.00 0.00 63.50 61.40 1iru n PRO 74 Cb 0.55 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 32.07 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 -2.07 3.21 0.06 -0.52 0.52 -1.26 -4.84 118.95 114.05 1iru s ARG 75 Ca 0.66 -0.75 -0.19 0.00 -0.52 0.00 0.00 55.73 54.93 1iru s ARG 75 Cb -0.53 -2.81 -0.12 0.00 0.52 0.00 0.00 34.95 32.01 1iru s ARG 75 CO 0.55 0.49 1.41 0.28 0.02 0.00 0.00 175.30 178.05 1iru h VAL 76 N 1.72 1.31 -1.01 3.52 2.07 -1.93 -2.97 116.25 118.97 1iru h VAL 76 Ca -0.49 -1.19 0.25 0.00 0.82 0.00 0.00 66.70 66.10 1iru h VAL 76 Cb 1.20 1.67 -0.08 0.00 -1.52 0.00 0.00 31.29 32.56 1iru h VAL 76 CO 0.65 0.36 0.66 -0.37 0.02 0.00 0.00 177.57 178.89 1iru h VAL 77 N 0.11 0.56 -0.27 2.57 -1.51 -1.98 0.22 116.25 115.95 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 0.61 0.17 -0.01 0.00 -2.13 0.00 0.00 31.29 29.93 1iru h VAL 77 CO 0.03 0.07 0.06 0.74 -1.23 0.00 0.00 177.57 177.24 1iru h THR 78 N 0.36 1.22 -0.39 7.19 2.02 -1.94 0.31 112.91 121.68 1iru h THR 78 Ca 0.55 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1iru h THR 78 Cb 1.47 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 69.04 1iru h THR 78 CO -0.23 0.24 0.17 0.00 0.37 0.00 0.00 175.52 176.07 1iru h ALA 79 N 0.88 0.51 -0.32 6.16 0.00 -1.00 -0.69 119.26 124.80 1iru h ALA 79 Ca 0.08 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1iru h ALA 79 Cb 0.30 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1iru h ALA 79 CO 0.00 0.09 0.06 -0.97 0.00 0.00 0.00 179.25 178.43 1iru h ASN 80 N 0.49 0.00 0.99 0.00 -1.24 -0.95 -0.48 115.58 114.39 1iru h ASN 80 Ca 0.13 0.05 -0.05 0.00 0.71 0.00 0.00 56.30 57.15 1iru h ASN 80 Cb 0.15 0.07 0.01 0.00 0.73 0.00 0.00 38.32 39.29 1iru h ASN 80 CO -0.01 0.04 -0.47 0.03 -1.29 0.00 0.00 177.43 175.72 1iru h ARG 81 N 0.17 -1.28 -0.61 6.67 2.47 -0.05 -0.71 114.38 121.05 1iru h ARG 81 Ca 0.15 0.09 0.13 0.00 -1.26 0.00 0.00 59.98 59.09 1iru h ARG 81 Cb 0.17 0.29 -0.11 0.00 -1.65 0.00 0.00 29.97 28.67 1iru h ARG 81 CO -0.20 -0.85 -0.05 0.52 0.56 0.00 0.00 179.97 179.94 1iru h MET 82 N -1.33 0.07 0.18 0.04 2.86 -1.03 -0.25 114.93 115.47 1iru h MET 82 Ca -0.14 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1iru h MET 82 Cb 1.02 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1iru h MET 82 CO 0.22 0.05 -0.09 -0.07 1.06 0.00 0.00 176.91 178.08 1iru h LEU 83 N 0.07 -0.21 -0.77 1.22 3.38 -1.02 -2.68 115.31 115.30 1iru h LEU 83 Ca 0.31 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 1iru h LEU 83 Cb 0.50 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1iru h LEU 83 CO -0.56 -0.05 0.22 0.07 0.09 0.00 0.00 178.44 178.21 1iru h LYS 84 N -0.37 1.14 0.00 1.13 2.10 -0.61 -1.69 116.57 118.28 1iru h LYS 84 Ca -0.03 -0.25 -0.07 0.00 -2.00 0.00 0.00 60.65 58.30 1iru h LYS 84 Cb 0.28 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 31.44 1iru h LYS 84 CO 0.04 0.98 -0.35 1.96 -2.00 0.00 0.00 179.45 180.08 1iru h GLN 85 N 1.09 0.00 0.07 0.07 4.20 -1.08 -0.60 115.11 118.86 1iru h GLN 85 Ca 0.23 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 1iru h GLN 85 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1iru h GLN 85 CO -0.01 0.35 -0.03 1.98 -0.67 0.00 0.00 178.83 180.45 1iru h MET 86 N 0.00 -0.09 -0.71 1.46 4.05 -1.15 -2.95 114.93 115.53 1iru h MET 86 Ca -0.00 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.53 1iru h MET 86 Cb 0.69 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.44 1iru h MET 86 CO 0.05 0.42 0.34 -0.07 0.23 0.00 0.00 176.91 177.88 1iru h LEU 87 N -0.93 0.42 -0.55 3.39 3.38 -1.27 -1.37 115.31 118.38 1iru h LEU 87 Ca -0.01 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1iru h LEU 87 Cb 0.56 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1iru h LEU 87 CO 0.02 0.23 0.32 0.15 0.09 0.00 0.00 178.44 179.24 1iru h PHE 88 N 0.57 0.59 -0.22 1.13 3.57 -1.18 -1.48 116.94 119.91 1iru h PHE 88 Ca 0.36 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.94 1iru h PHE 88 Cb 0.42 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1iru h PHE 88 CO -0.12 0.33 0.22 -0.09 -2.23 0.00 0.00 178.31 176.42 1iru h ARG 89 N 0.63 0.00 -0.61 1.11 2.43 -1.07 -0.34 114.38 116.53 1iru h ARG 89 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1iru h ARG 89 Cb 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1iru h ARG 89 CO -0.11 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.01 1iru n TYR 90 N -3.90 1.92 -2.87 2.20 4.02 -0.57 -4.95 117.16 113.01 1iru n TYR 90 Ca 0.03 -0.68 -0.14 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 0.74 -1.83 -0.03 -0.72 5.12 -0.14 -0.21 116.66 119.59 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 1.11 -3.68 0.00 0.00 -1.16 0.00 0.00 32.46 28.74 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 0.35 0.22 -0.13 0.00 -1.24 -4.91 105.19 98.86 1iru n GLY 92 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.69 1.61 -1.99 -0.88 -3.36 116.97 109.66 1iru h TYR 93 Ca 0.00 0.00 -0.67 0.00 2.00 0.00 0.00 58.73 60.06 1iru h TYR 93 Cb 0.00 0.00 -0.17 0.00 2.00 0.00 0.00 36.73 38.56 1iru h TYR 93 CO 0.00 0.21 0.50 0.42 -0.00 0.00 0.00 178.16 179.29 1iru s ILE 94 N -3.61 4.63 -0.83 -2.88 1.01 -1.26 -4.94 121.20 113.31 1iru s ILE 94 Ca 0.01 -0.99 -0.20 0.00 0.00 0.00 0.00 60.65 59.47 1iru s ILE 94 Cb 0.10 -4.65 -0.14 0.00 0.01 0.00 0.00 42.46 37.78 1iru s ILE 94 CO 0.63 -1.37 1.96 0.61 0.00 0.00 0.00 174.94 176.78 1iru n GLY 95 N 5.31 2.76 3.17 6.18 0.00 -1.26 -4.74 105.19 116.61 1iru n GLY 95 Ca 0.04 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 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 4.76 2.55 -0.24 4.61 0.00 -1.26 -0.93 121.76 131.23 1iru s ALA 96 Ca 0.55 -1.35 -0.06 0.00 0.00 0.00 0.00 51.96 51.10 1iru s ALA 96 Cb 0.14 -1.47 -0.01 0.00 0.00 0.00 0.00 23.12 21.78 1iru s ALA 96 CO 0.09 -0.61 0.02 0.00 0.00 0.00 0.00 175.76 175.26 1iru s ALA 97 N 1.31 2.99 0.10 0.00 0.00 0.01 -2.17 121.76 124.00 1iru s ALA 97 Ca 0.02 -1.19 0.10 0.00 0.00 0.00 0.00 51.96 50.89 1iru s ALA 97 Cb -0.15 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1iru s ALA 97 CO -0.08 -0.52 -0.26 -0.51 0.00 0.00 0.00 175.76 174.39 1iru s LEU 98 N 1.54 2.26 -0.33 0.00 1.43 0.31 -0.72 118.68 123.18 1iru s LEU 98 Ca 0.06 -0.68 0.02 0.00 -1.03 0.00 0.00 54.13 52.49 1iru s LEU 98 Cb -0.15 -1.21 0.09 0.00 0.03 0.00 0.00 46.19 44.95 1iru s LEU 98 CO 0.00 0.20 0.03 -0.69 0.23 0.00 0.00 176.35 176.12 1iru s VAL 99 N -0.97 2.47 -0.17 -1.59 1.01 -0.63 -0.82 120.40 119.71 1iru s VAL 99 Ca 0.12 -2.03 -0.13 0.00 0.00 0.00 0.00 61.98 59.95 1iru s VAL 99 Cb -0.10 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 1iru s VAL 99 CO 0.04 -0.42 0.25 -0.22 0.00 0.00 0.00 175.10 174.75 1iru s LEU 100 N 1.02 4.25 -0.08 3.92 2.96 0.65 -0.70 118.68 130.70 1iru s LEU 100 Ca 0.04 0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 54.29 1iru s LEU 100 Cb -0.20 -2.29 0.02 0.00 0.50 0.00 0.00 46.19 44.22 1iru s LEU 100 CO -0.06 0.14 0.25 -0.83 -1.32 0.00 0.00 176.35 174.53 1iru s GLY 101 N 0.34 -0.17 -0.00 7.98 0.00 -0.17 -0.15 107.32 115.15 1iru s GLY 101 Ca 0.14 0.60 -0.29 0.00 0.00 0.00 0.00 44.72 45.17 1iru s GLY 101 CO 0.02 0.48 1.27 -0.32 0.00 0.00 0.00 173.10 174.56 1iru s GLY 102 N -0.19 -0.26 -0.12 0.20 0.00 -0.47 -0.66 107.32 105.82 1iru s GLY 102 Ca -0.03 0.34 0.03 0.00 0.00 0.00 0.00 44.72 45.06 1iru s GLY 102 CO 0.01 2.65 -0.21 0.14 0.00 0.00 0.00 173.10 175.69 1iru s VAL 103 N -2.23 2.26 0.41 1.40 1.01 -0.53 0.85 120.40 123.57 1iru s VAL 103 Ca 0.21 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1iru s VAL 103 Cb 0.02 -1.90 0.06 0.00 0.00 0.00 0.00 36.38 34.57 1iru s VAL 103 CO -0.02 0.55 0.53 0.47 0.00 0.00 0.00 175.10 176.63 1iru n ASP 104 N 3.75 1.59 0.19 3.32 8.00 1.09 -4.86 116.55 129.63 1iru n ASP 104 Ca -0.19 -2.12 0.08 0.00 0.71 0.00 0.00 54.79 53.26 1iru n ASP 104 Cb 0.52 -0.27 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 0.60 -0.01 2.53 2.07 -1.92 -1.81 116.25 117.85 1iru h VAL 105 Ca -0.20 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 65.83 1iru h VAL 105 Cb 0.89 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1iru h VAL 105 CO 0.29 0.29 -0.12 0.41 0.02 0.00 0.00 177.57 178.46 1iru n THR 106 N -3.30 0.00 0.00 2.57 -1.04 -1.26 -5.07 114.28 106.18 1iru n THR 106 Ca 0.01 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1iru n THR 106 Cb 0.55 0.62 0.00 0.00 -1.82 0.00 0.00 70.33 69.68 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 1.27 -0.49 3.72 3.41 0.00 -0.68 -5.00 105.19 107.42 1iru n GLY 107 Ca 0.15 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 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 4.63 -0.03 1.61 0.04 -1.26 0.35 135.00 140.34 1iru s PRO 108 Ca 0.00 1.41 0.03 0.00 0.04 0.00 0.00 61.00 62.48 1iru s PRO 108 Cb 0.00 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1iru s PRO 108 CO 0.00 0.12 -0.12 -1.01 0.04 0.00 0.00 177.00 176.03 1iru s HIS 109 N 0.36 1.26 -0.19 0.56 3.76 0.25 -4.92 115.29 116.37 1iru s HIS 109 Ca 0.48 -0.33 -0.00 0.00 -0.15 0.00 0.00 55.06 55.05 1iru s HIS 109 Cb -0.22 -0.87 0.05 0.00 1.11 0.00 0.00 32.58 32.65 1iru s HIS 109 CO 0.29 -0.12 -0.05 -1.17 -0.85 0.00 0.00 174.74 172.84 1iru s LEU 110 N 0.12 1.87 0.13 0.89 2.96 -1.26 -1.37 118.68 122.01 1iru s LEU 110 Ca -0.03 -0.83 0.11 0.00 -0.22 0.00 0.00 54.13 53.15 1iru s LEU 110 Cb -0.10 -0.97 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 1iru s LEU 110 CO 0.01 -0.21 -0.27 -0.31 -1.32 0.00 0.00 176.35 174.26 1iru s TYR 111 N 1.58 2.28 -0.12 5.38 1.51 0.79 -2.20 117.35 126.57 1iru s TYR 111 Ca -0.01 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.69 1iru s TYR 111 Cb -0.16 -1.23 0.00 0.00 -0.11 0.00 0.00 41.96 40.45 1iru s TYR 111 CO -0.07 0.33 -0.22 -1.54 -1.11 0.00 0.00 175.55 172.94 1iru s SER 112 N -2.04 3.22 -0.12 2.29 1.04 0.05 -0.25 113.70 117.89 1iru s SER 112 Ca 0.13 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 56.04 1iru s SER 112 Cb -0.10 -1.45 -0.00 0.00 0.10 0.00 0.00 66.02 64.57 1iru s SER 112 CO 0.06 0.13 -0.19 -0.63 0.98 0.00 0.00 173.24 173.58 1iru s ILE 113 N 0.52 2.44 0.26 -1.02 1.01 0.00 -0.27 121.20 124.14 1iru s ILE 113 Ca -0.14 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.63 1iru s ILE 113 Cb -0.17 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1iru s ILE 113 CO 0.05 0.54 0.46 -0.31 0.00 0.00 0.00 174.94 175.68 1iru s TYR 114 N 0.42 3.48 0.51 3.97 1.51 -0.53 -0.53 117.35 126.18 1iru s TYR 114 Ca -0.14 0.39 0.28 0.00 -1.01 0.00 0.00 57.07 56.59 1iru s TYR 114 Cb -0.17 -1.90 1.39 0.00 -0.11 0.00 0.00 41.96 41.17 1iru s TYR 114 CO 0.06 0.28 1.89 -1.00 -1.11 0.00 0.00 175.55 175.67 1iru h PRO 115 N 1.60 0.09 0.00 -1.71 0.13 -1.73 0.15 132.00 130.53 1iru h PRO 115 Ca -0.49 -0.01 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 0.66 0.06 0.00 0.72 -0.23 0.00 0.00 178.00 179.20 1iru n HIS 116 N -4.34 0.27 0.00 1.56 8.25 -1.26 -3.72 115.22 115.99 1iru n HIS 116 Ca 0.18 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1iru n HIS 116 Cb 0.88 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 1.20 1.01 3.90 -1.41 0.00 0.52 -3.69 105.19 106.72 1iru n GLY 117 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.92 6.45 0.15 1.61 1.04 -1.26 -4.75 113.70 115.01 1iru s SER 118 Ca 0.00 0.79 0.05 0.00 0.48 0.00 0.00 55.95 57.28 1iru s SER 118 Cb 0.00 -2.18 -0.04 0.00 0.10 0.00 0.00 66.02 63.90 1iru s SER 118 CO 0.00 -0.25 -0.12 0.42 0.98 0.00 0.00 173.24 174.26 1iru s THR 119 N -2.18 1.31 -0.07 2.02 -4.23 -1.26 -1.46 115.64 109.77 1iru s THR 119 Ca 0.45 -1.95 0.03 0.00 -1.18 0.00 0.00 61.69 59.04 1iru s THR 119 Cb -0.11 -1.75 0.01 0.00 1.34 0.00 0.00 72.50 72.00 1iru s THR 119 CO 0.31 -0.60 -0.15 -1.81 -0.54 0.00 0.00 174.62 171.83 1iru s ASP 120 N -2.92 2.04 -0.44 3.99 1.01 0.62 -4.94 116.67 116.03 1iru s ASP 120 Ca 0.14 -0.35 -0.16 0.00 0.71 0.00 0.00 52.55 52.90 1iru s ASP 120 Cb -0.01 -0.92 0.04 0.00 1.01 0.00 0.00 42.92 43.04 1iru s ASP 120 CO 0.02 0.06 0.37 -0.75 0.21 0.00 0.00 175.17 175.09 1iru s LYS 121 N 0.56 3.00 0.04 8.23 2.20 -1.26 -0.77 119.74 131.74 1iru s LYS 121 Ca -0.15 -1.11 -0.06 0.00 -0.36 0.00 0.00 55.97 54.29 1iru s LYS 121 Cb -0.16 -4.04 -0.01 0.00 -1.51 0.00 0.00 37.83 32.11 1iru s LYS 121 CO 0.05 -0.89 0.11 -0.51 -0.36 0.00 0.00 175.35 173.74 1iru s LEU 122 N 1.77 1.75 0.53 5.43 1.43 -0.93 -5.04 118.68 123.62 1iru s LEU 122 Ca 0.06 -0.54 0.31 0.00 -1.03 0.00 0.00 54.13 52.93 1iru s LEU 122 Cb -0.21 0.66 1.37 0.00 0.03 0.00 0.00 46.19 48.05 1iru s LEU 122 CO 0.09 -0.53 2.00 1.55 0.23 0.00 0.00 176.35 179.69 1iru h PRO 123 N 3.55 0.00 -1.99 1.29 0.13 -1.95 -3.41 132.00 129.62 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 0.09 0.08 1.52 -0.23 0.00 0.00 178.00 179.97 1iru s TYR 124 N -3.82 -0.94 0.14 1.56 -0.85 -1.26 0.39 117.35 112.56 1iru s TYR 124 Ca -0.00 2.02 -0.03 0.00 -0.52 0.00 0.00 57.07 58.53 1iru s TYR 124 Cb 0.11 0.47 -0.03 0.00 0.38 0.00 0.00 41.96 42.89 1iru s TYR 124 CO 0.56 -0.46 0.12 0.14 -1.52 0.00 0.00 175.55 174.40 1iru s VAL 125 N 1.08 0.10 0.03 -3.49 -7.23 -0.73 -4.99 120.40 105.16 1iru s VAL 125 Ca -0.06 -1.75 -0.05 0.00 -1.81 0.00 0.00 61.98 58.31 1iru s VAL 125 Cb -0.05 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.91 1iru s VAL 125 CO -0.11 -0.43 0.09 0.42 -0.31 0.00 0.00 175.10 174.76 1iru s THR 126 N -4.02 0.13 0.17 5.32 -4.23 -1.26 -1.84 115.64 109.90 1iru s THR 126 Ca 0.21 -1.04 -0.07 0.00 -1.18 0.00 0.00 61.69 59.62 1iru s THR 126 Cb 0.06 -0.79 -0.02 0.00 1.34 0.00 0.00 72.50 73.10 1iru s THR 126 CO 0.01 -0.57 0.24 -0.04 -0.54 0.00 0.00 174.62 173.72 1iru s MET 127 N -2.36 1.15 0.00 3.99 -1.94 -0.58 -4.94 119.30 114.61 1iru s MET 127 Ca -0.07 -1.27 0.00 0.00 -1.71 0.00 0.00 55.69 52.64 1iru s MET 127 Cb -0.03 0.35 0.00 0.00 2.01 0.00 0.00 34.83 37.16 1iru s MET 127 CO -0.03 -0.40 0.00 0.41 -0.01 0.00 0.00 175.02 174.98 1iru n GLY 128 N -0.21 0.49 0.27 -0.03 0.00 -1.26 -2.40 105.19 102.05 1iru n GLY 128 Ca -0.06 -1.90 0.10 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.34 1.61 4.64 -1.49 -0.83 113.55 117.14 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 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1iru n GLY 130 N -1.45 1.04 0.34 -0.77 0.00 0.83 -4.48 105.19 100.70 1iru n GLY 130 Ca -0.03 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.50 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 3.10 0.61 -0.09 1.61 4.64 -1.24 -1.84 113.55 120.35 1iru h SER 131 Ca 0.00 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1iru h SER 131 Cb 0.69 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1iru h SER 131 CO 0.00 0.41 -0.38 -0.07 -0.87 0.00 0.00 176.83 175.91 1iru h LEU 132 N 0.70 0.64 -0.06 5.97 -0.00 -1.80 0.79 115.31 121.55 1iru h LEU 132 Ca 0.27 -0.28 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1iru h LEU 132 Cb 0.19 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 40.67 1iru h LEU 132 CO -0.08 0.95 0.01 0.00 -0.00 0.00 0.00 178.44 179.32 1iru h ALA 133 N 1.08 0.08 -0.21 1.53 0.00 -1.74 -2.63 119.26 117.37 1iru h ALA 133 Ca 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1iru h ALA 133 Cb 0.89 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1iru h ALA 133 CO 0.08 -0.27 0.11 0.00 0.00 0.00 0.00 179.25 179.17 1iru h ALA 134 N 0.75 0.26 -0.24 0.00 0.00 -1.28 -2.35 119.26 116.39 1iru h ALA 134 Ca 0.02 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1iru h ALA 134 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1iru h ALA 134 CO 0.00 -0.20 0.24 1.98 0.00 0.00 0.00 179.25 181.28 1iru h MET 135 N 0.22 0.00 0.00 0.00 -1.53 -0.80 -0.65 114.93 112.19 1iru h MET 135 Ca 0.07 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.33 1iru h MET 135 Cb 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.12 1iru h MET 135 CO -0.01 0.00 -0.00 0.00 0.14 0.00 0.00 176.91 177.04 1iru h ALA 136 N 1.74 -0.00 -0.20 0.39 0.00 -1.04 -0.49 119.26 119.66 1iru h ALA 136 Ca 0.12 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1iru h ALA 136 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 1iru h ALA 136 CO -0.00 -0.36 -0.37 0.28 0.00 0.00 0.00 179.25 178.80 1iru h VAL 137 N -0.30 0.21 0.35 0.00 2.07 -1.10 -1.08 116.25 116.40 1iru h VAL 137 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1iru h VAL 137 Cb 0.30 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1iru h VAL 137 CO 0.00 0.00 -0.52 -0.26 0.02 0.00 0.00 177.57 176.81 1iru h PHE 138 N -0.40 -1.48 -0.67 1.57 0.05 -1.36 0.15 116.94 114.78 1iru h PHE 138 Ca 0.10 0.02 0.20 0.00 3.82 0.00 0.00 57.97 62.11 1iru h PHE 138 Cb 0.58 0.60 -0.03 0.00 2.00 0.00 0.00 35.95 39.10 1iru h PHE 138 CO -0.48 -0.65 0.52 0.93 -0.18 0.00 0.00 178.31 178.45 1iru h GLU 139 N -0.91 0.00 0.11 1.51 4.39 -0.80 -0.96 114.58 117.92 1iru h GLU 139 Ca -0.04 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.32 1iru h GLU 139 Cb 0.84 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 1iru h GLU 139 CO -0.16 0.00 -1.86 0.22 -1.16 0.00 0.00 179.01 176.05 1iru h ASP 140 N 0.00 0.35 -1.72 1.42 3.58 -0.70 -3.41 116.42 115.94 1iru h ASP 140 Ca 0.32 -0.72 -0.54 0.00 0.42 0.00 0.00 57.03 56.51 1iru h ASP 140 Cb 1.35 -0.12 -0.41 0.00 1.72 0.00 0.00 39.33 41.87 1iru h ASP 140 CO -0.00 1.64 -0.85 0.29 -2.88 0.00 0.00 179.24 177.44 1iru n LYS 141 N -3.40 2.66 -5.10 0.28 5.02 0.47 -5.06 118.16 113.02 1iru n LYS 141 Ca -0.26 -4.25 -0.32 0.00 -2.02 0.00 0.00 58.31 51.46 1iru n LYS 141 Cb 1.05 -2.00 -0.15 0.00 -0.02 0.00 0.00 35.03 33.91 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 2.53 0.01 2.13 5.36 -0.43 -4.80 117.98 119.47 1iru s PHE 142 Ca 0.44 -0.39 0.01 0.00 -0.96 0.00 0.00 56.93 56.03 1iru s PHE 142 Cb 0.37 -1.59 -0.01 0.00 -0.34 0.00 0.00 43.02 41.45 1iru s PHE 142 CO -0.12 0.01 -0.04 1.03 -1.46 0.00 0.00 175.22 174.64 1iru s ARG 143 N -0.52 0.34 0.43 10.12 0.52 -1.26 -5.04 118.95 123.53 1iru s ARG 143 Ca 0.07 -0.31 -0.22 0.00 -0.52 0.00 0.00 55.73 54.75 1iru s ARG 143 Cb -0.11 -0.23 -0.10 0.00 0.52 0.00 0.00 34.95 35.03 1iru s ARG 143 CO 0.01 0.06 0.99 -1.25 0.02 0.00 0.00 175.30 175.13 1iru s PRO 144 N -0.55 4.13 -1.46 3.54 0.04 -1.26 -3.75 135.00 135.68 1iru s PRO 144 Ca -0.03 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1iru s PRO 144 Cb -0.04 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1iru s PRO 144 CO -0.00 -0.14 0.00 -0.25 0.04 0.00 0.00 177.00 176.65 1iru n ASP 145 N -0.51 -4.70 -4.44 6.66 8.00 -1.26 -4.91 116.55 115.38 1iru n ASP 145 Ca 0.07 0.20 -0.32 0.00 0.71 0.00 0.00 54.79 55.44 1iru n ASP 145 Cb 0.52 -3.67 0.15 0.00 -0.02 0.00 0.00 41.12 38.11 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 -2.51 -0.78 -2.44 -1.24 2.81 -1.25 -3.97 117.12 107.74 1iru n MET 146 Ca -0.16 -0.19 -0.28 0.00 -1.81 0.00 0.00 57.70 55.26 1iru n MET 146 Cb 0.56 -1.96 0.01 0.00 -0.71 0.00 0.00 33.22 31.12 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 -3.87 3.47 0.15 0.03 0.41 -1.26 -2.23 118.70 115.40 1iru s GLU 147 Ca 0.60 0.29 -0.31 0.00 -0.41 0.00 0.00 54.97 55.14 1iru s GLU 147 Cb -0.20 -2.30 -0.06 0.00 -1.78 0.00 0.00 34.13 29.79 1iru s GLU 147 CO 0.65 -0.35 1.55 1.49 -0.49 0.00 0.00 175.26 178.11 1iru h GLU 148 N 0.05 -0.21 -0.06 1.61 4.81 -1.99 0.84 114.58 119.63 1iru h GLU 148 Ca -0.46 0.01 -0.03 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 0.09 0.00 1.92 4.39 -1.96 0.79 114.58 119.60 1iru h GLU 149 Ca 0.13 -0.02 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 0.22 0.00 1.49 -1.16 0.00 0.00 179.01 178.81 1iru h GLU 150 N 0.09 0.00 0.00 2.33 4.81 -1.25 -3.04 114.58 117.51 1iru h GLU 150 Ca 0.02 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.91 1iru h GLU 150 Cb 0.28 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 1iru h GLU 150 CO 0.02 0.00 -2.14 0.00 -0.73 0.00 0.00 179.01 176.16 1iru n ALA 151 N -1.85 1.68 0.31 2.92 0.00 -0.43 -3.95 120.51 119.18 1iru n ALA 151 Ca 0.03 -0.81 0.03 0.00 0.00 0.00 0.00 53.44 52.69 1iru n ALA 151 Cb 0.32 0.23 0.18 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.70 0.00 0.00 0.00 3.64 0.53 0.78 116.57 120.82 1iru h LYS 152 Ca -0.52 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1iru h LYS 152 Cb 1.46 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1iru h LYS 152 CO -0.30 0.00 -1.46 0.27 -2.27 0.00 0.00 179.45 175.69 1iru n ASN 153 N -2.48 2.77 -0.02 4.20 2.04 -1.15 -3.85 115.26 116.77 1iru n ASN 153 Ca -0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 54.58 54.08 1iru n ASN 153 Cb 0.82 1.39 0.16 0.00 -2.53 0.00 0.00 39.78 39.62 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 0.60 -0.24 -4.53 5.85 0.39 -0.99 115.31 116.37 1iru h LEU 154 Ca -0.02 -0.21 -0.21 0.00 0.84 0.00 0.00 57.88 58.28 1iru h LEU 154 Cb 0.53 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.40 1iru h LEU 154 CO 0.00 0.83 -0.75 0.58 -0.34 0.00 0.00 178.44 178.77 1iru h VAL 155 N 0.52 1.30 0.00 1.05 2.07 -1.41 -1.75 116.25 118.04 1iru h VAL 155 Ca 0.07 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.60 1iru h VAL 155 Cb 0.70 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1iru h VAL 155 CO 0.05 0.63 0.00 0.77 0.02 0.00 0.00 177.57 179.04 1iru h SER 156 N 0.48 0.00 0.65 0.57 4.64 -1.61 -0.64 113.55 117.64 1iru h SER 156 Ca -0.04 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.01 1iru h SER 156 Cb 1.36 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.42 1iru h SER 156 CO 0.15 0.00 -1.39 -0.08 -0.87 0.00 0.00 176.83 174.64 1iru h GLU 157 N 0.00 0.11 0.16 4.77 4.81 -0.97 -2.70 114.58 120.76 1iru h GLU 157 Ca 0.00 -0.18 -0.29 0.00 -0.13 0.00 0.00 59.36 58.76 1iru h GLU 157 Cb 0.57 0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.03 1iru h GLU 157 CO 0.00 0.93 -1.31 0.00 -0.73 0.00 0.00 179.01 177.90 1iru h ALA 158 N 0.79 0.03 0.00 2.92 0.00 -1.03 -1.65 119.26 120.32 1iru h ALA 158 Ca -0.17 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1iru h ALA 158 Cb 1.93 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1iru h ALA 158 CO 0.13 0.91 0.00 0.82 0.00 0.00 0.00 179.25 181.11 1iru h ILE 159 N 0.09 0.00 0.11 0.00 1.08 -1.22 -2.37 117.51 115.20 1iru h ILE 159 Ca -0.17 -0.56 -0.15 0.00 -0.39 0.00 0.00 64.86 63.60 1iru h ILE 159 Cb 2.02 1.55 0.02 0.00 -3.07 0.00 0.00 36.82 37.35 1iru h ILE 159 CO 0.22 0.00 -0.65 0.00 -0.69 0.00 0.00 178.15 177.03 1iru h ALA 160 N 2.00 -0.07 -0.82 1.87 0.00 -1.38 -2.15 119.26 118.71 1iru h ALA 160 Ca 0.00 -0.65 0.14 0.00 0.00 0.00 0.00 54.91 54.40 1iru h ALA 160 Cb 0.56 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 1iru h ALA 160 CO 0.00 0.30 0.41 0.00 0.00 0.00 0.00 179.25 179.96 1iru h ALA 161 N 0.08 1.21 0.65 0.00 0.00 -1.05 -1.71 119.26 118.44 1iru h ALA 161 Ca -0.11 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1iru h ALA 161 Cb 1.50 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.30 1iru h ALA 161 CO 0.12 -0.10 -0.31 0.78 0.00 0.00 0.00 179.25 179.74 1iru h GLY 162 N 0.59 -0.91 -0.95 0.00 0.00 -1.46 -2.16 103.07 98.18 1iru h GLY 162 Ca 0.44 0.34 0.24 0.00 0.00 0.00 0.00 47.33 48.35 1iru h GLY 162 CO -0.36 -0.33 -0.07 -2.22 0.00 0.00 0.00 176.54 173.57 1iru h ILE 163 N -1.08 0.03 0.15 2.60 2.04 -0.67 -0.36 117.51 120.20 1iru h ILE 163 Ca -0.09 -0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.44 1iru h ILE 163 Cb 0.71 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1iru h ILE 163 CO 0.15 0.00 -1.63 -0.26 0.00 0.00 0.00 178.15 176.40 1iru h PHE 164 N 0.01 0.57 -0.00 1.37 -1.00 -1.36 -3.37 116.94 113.15 1iru h PHE 164 Ca 0.55 -0.42 0.00 0.00 2.81 0.00 0.00 57.97 60.92 1iru h PHE 164 Cb 1.04 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.58 1iru h PHE 164 CO -0.58 1.51 -0.23 0.09 -1.61 0.00 0.00 178.31 177.49 1iru n ASN 165 N -3.51 0.35 -4.01 2.17 3.02 -0.81 -4.77 115.26 107.71 1iru n ASN 165 Ca -0.20 -0.12 -0.31 0.00 -0.03 0.00 0.00 54.58 53.93 1iru n ASN 165 Cb 1.06 -0.08 -0.16 0.00 -0.61 0.00 0.00 39.78 39.99 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 -2.85 3.26 0.19 6.41 2.15 -0.19 -4.98 116.67 120.66 1iru s ASP 166 Ca 0.17 -0.81 0.12 0.00 0.43 0.00 0.00 52.55 52.46 1iru s ASP 166 Cb 0.19 -1.24 0.63 0.00 -0.30 0.00 0.00 42.92 42.20 1iru s ASP 166 CO 0.58 -0.12 1.32 0.18 -0.17 0.00 0.00 175.17 176.95 1iru n LEU 167 N 4.69 0.30 -0.26 -1.34 4.77 -1.26 -0.27 117.00 123.63 1iru n LEU 167 Ca -0.15 0.60 0.14 0.00 -0.03 0.00 0.00 56.01 56.57 1iru n LEU 167 Cb 0.47 -0.63 0.49 0.00 -2.33 0.00 0.00 43.42 41.43 1iru n LEU 167 CO 0.21 -0.71 0.78 0.61 -1.33 0.00 0.00 177.39 176.95 1iru n GLY 168 N -1.35 -0.56 3.20 -0.72 0.00 -1.26 -4.86 105.19 99.64 1iru n GLY 168 Ca -0.01 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.35 2.02 0.00 1.61 0.01 0.63 -0.34 113.70 115.28 1iru s SER 169 Ca 0.30 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1iru s SER 169 Cb 0.20 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1iru s SER 169 CO 0.46 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.76 1iru n GLY 170 N 1.58 0.61 7.00 3.44 0.00 -1.26 -4.60 105.19 111.97 1iru n GLY 170 Ca -0.19 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.09 0.00 -4.86 1.61 7.64 -1.26 -2.82 113.62 113.83 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 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 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 4.98 -0.26 6.43 0.01 -1.26 -4.53 114.94 116.30 1iru s ASN 172 Ca 0.00 1.13 -0.03 0.00 -0.71 0.00 0.00 52.86 53.25 1iru s ASN 172 Cb 0.00 -1.86 0.02 0.00 0.41 0.00 0.00 41.25 39.82 1iru s ASN 172 CO 0.00 -1.64 -0.02 -0.63 -1.51 0.00 0.00 177.10 173.30 1iru s ILE 173 N -3.33 3.18 0.17 0.60 1.01 -1.09 -2.28 121.20 119.47 1iru s ILE 173 Ca 0.60 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 60.32 1iru s ILE 173 Cb -0.12 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1iru s ILE 173 CO 0.52 0.15 0.32 -1.81 0.00 0.00 0.00 174.94 174.12 1iru s ASP 174 N 1.37 6.35 0.20 3.58 1.01 -0.23 -1.49 116.67 127.44 1iru s ASP 174 Ca 0.01 0.21 0.01 0.00 0.71 0.00 0.00 52.55 53.49 1iru s ASP 174 Cb -0.17 -1.93 -0.05 0.00 1.01 0.00 0.00 42.92 41.79 1iru s ASP 174 CO -0.02 0.01 0.04 -0.76 0.21 0.00 0.00 175.17 174.65 1iru s LEU 175 N -3.36 1.89 -0.22 1.23 1.43 -0.05 -2.69 118.68 116.91 1iru s LEU 175 Ca 0.35 -1.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.13 1iru s LEU 175 Cb -0.11 0.02 0.10 0.00 0.03 0.00 0.00 46.19 46.23 1iru s LEU 175 CO 0.29 -0.64 0.46 0.00 0.23 0.00 0.00 176.35 176.69 1iru s VAL 177 N 2.67 3.27 -0.13 0.00 1.01 0.23 -0.39 120.40 127.05 1iru s VAL 177 Ca -0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1iru s VAL 177 Cb -0.12 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 33.91 1iru s VAL 177 CO -0.14 0.52 -0.03 -0.63 0.00 0.00 0.00 175.10 174.82 1iru s ILE 178 N 0.28 0.83 0.31 2.22 1.01 0.45 -0.26 121.20 126.04 1iru s ILE 178 Ca -0.08 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.27 1iru s ILE 178 Cb -0.15 -1.02 -0.06 0.00 0.01 0.00 0.00 42.46 41.24 1iru s ILE 178 CO 0.05 0.17 -0.02 -0.94 0.00 0.00 0.00 174.94 174.20 1iru s SER 179 N 1.76 2.79 0.01 3.58 1.04 0.27 -0.02 113.70 123.14 1iru s SER 179 Ca 0.03 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1iru s SER 179 Cb -0.14 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.82 1iru s SER 179 CO -0.07 -0.42 0.66 2.29 0.98 0.00 0.00 173.24 176.67 1iru n LYS 180 N -0.65 0.00 0.00 4.02 0.00 -1.17 -1.66 118.16 118.69 1iru n LYS 180 Ca -0.05 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 1iru n LYS 180 Cb 0.65 -1.87 0.00 0.00 -0.00 0.00 0.00 35.03 33.81 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 -4.11 -5.58 0.23 -1.26 -5.13 115.26 98.24 1iru n ASN 181 Ca -0.00 -1.00 -0.11 0.00 -0.53 0.00 0.00 54.58 52.94 1iru n ASN 181 Cb 0.36 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.96 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 0.68 -0.34 -3.83 2.20 -0.67 -5.11 119.74 112.67 1iru s LYS 182 Ca 0.00 -1.10 0.01 0.00 -0.36 0.00 0.00 55.97 54.52 1iru s LYS 182 Cb 0.00 -0.15 0.14 0.00 -1.51 0.00 0.00 37.83 36.31 1iru s LYS 182 CO 0.00 -0.01 0.28 -1.17 -0.36 0.00 0.00 175.35 174.09 1iru s LEU 183 N -2.49 0.32 -0.53 5.43 2.96 -1.26 -0.57 118.68 122.55 1iru s LEU 183 Ca 0.03 -1.62 -0.17 0.00 -0.22 0.00 0.00 54.13 52.15 1iru s LEU 183 Cb 0.00 0.13 0.10 0.00 0.50 0.00 0.00 46.19 46.93 1iru s LEU 183 CO -0.04 -0.32 0.52 -1.81 -1.32 0.00 0.00 176.35 173.39 1iru s ASP 184 N 1.53 6.18 -1.14 3.68 1.11 0.64 -4.95 116.67 123.72 1iru s ASP 184 Ca 0.15 -1.52 -0.13 0.00 0.18 0.00 0.00 52.55 51.23 1iru s ASP 184 Cb -0.18 -2.23 0.19 0.00 1.07 0.00 0.00 42.92 41.77 1iru s ASP 184 CO -0.10 -0.86 1.31 0.12 1.18 0.00 0.00 175.17 176.82 1iru s PHE 185 N 1.91 3.62 -0.80 4.23 5.36 -1.26 -0.60 117.98 130.45 1iru s PHE 185 Ca 0.06 -2.16 -0.26 0.00 -0.96 0.00 0.00 56.93 53.62 1iru s PHE 185 Cb -0.26 -4.20 0.01 0.00 -0.34 0.00 0.00 43.02 38.23 1iru s PHE 185 CO 0.05 -1.30 1.60 -0.51 -1.46 0.00 0.00 175.22 173.60 1iru s LEU 186 N 1.08 3.27 0.00 6.12 1.43 -0.90 -4.95 118.68 124.73 1iru s LEU 186 Ca 0.38 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1iru s LEU 186 Cb -0.05 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.62 1iru s LEU 186 CO -0.03 -2.08 0.00 -1.14 0.23 0.00 0.00 176.35 173.33 1iru n ARG 187 N 9.12 0.00 -1.66 1.70 3.00 -1.26 -0.87 116.66 126.69 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 2.12 -0.11 -0.14 -0.02 -1.26 -3.88 135.00 131.71 1iru n PRO 188 Ca 0.00 0.75 -0.14 0.00 -2.02 0.00 0.00 63.50 62.09 1iru n PRO 188 Cb 0.00 -2.70 -0.12 0.00 -0.02 0.00 0.00 33.50 30.67 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 7.38 0.00 -3.98 6.00 9.36 -0.56 -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 61.39 1iru n TYR 189 Cb 0.31 -0.89 -0.09 0.00 -0.63 0.00 0.00 39.34 38.05 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 -2.45 0.18 -0.45 2.97 2.01 -1.10 -5.03 115.64 111.77 1iru s THR 190 Ca -0.26 -1.49 0.07 0.00 0.31 0.00 0.00 61.69 60.32 1iru s THR 190 Cb 0.07 -1.41 0.23 0.00 0.01 0.00 0.00 72.50 71.40 1iru s THR 190 CO 0.58 -0.82 0.67 0.52 -0.69 0.00 0.00 174.62 174.87 1iru n VAL 191 N 0.05 -0.40 1.33 3.82 0.31 -1.26 -2.67 118.33 119.51 1iru n VAL 191 Ca -0.15 -2.52 0.00 0.00 -0.01 0.00 0.00 64.34 61.66 1iru n VAL 191 Cb 0.62 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 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 1.93 0.95 -3.79 5.55 -0.04 -1.26 -4.72 135.00 133.61 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 -1.28 -0.17 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.45 1.25 0.02 3.54 0.01 -1.26 -5.06 114.94 112.99 1iru s ASN 193 Ca 0.00 -0.04 0.06 0.00 -0.71 0.00 0.00 52.86 52.18 1iru s ASN 193 Cb 0.00 -0.33 -0.02 0.00 0.41 0.00 0.00 41.25 41.31 1iru s ASN 193 CO 0.00 -0.18 -0.19 -0.75 -1.51 0.00 0.00 177.10 174.47 1iru s LYS 194 N 1.80 1.32 0.03 -0.60 2.47 -1.26 -4.92 119.74 118.58 1iru s LYS 194 Ca 0.02 -0.81 -0.30 0.00 -1.56 0.00 0.00 55.97 53.32 1iru s LYS 194 Cb -0.13 -1.36 -0.05 0.00 -1.46 0.00 0.00 37.83 34.83 1iru s LYS 194 CO -0.04 0.36 1.30 0.21 0.16 0.00 0.00 175.35 177.34 1iru s LYS 195 N -0.92 4.35 0.28 4.03 2.20 -1.26 -4.94 119.74 123.48 1iru s LYS 195 Ca 0.06 1.87 -0.29 0.00 -0.36 0.00 0.00 55.97 57.25 1iru s LYS 195 Cb -0.08 -3.45 -0.14 0.00 -1.51 0.00 0.00 37.83 32.65 1iru s LYS 195 CO 0.01 -0.43 1.13 0.41 -0.36 0.00 0.00 175.35 176.10 1iru n GLY 196 N 3.44 0.05 3.62 5.54 0.00 -1.26 -4.84 105.19 111.75 1iru n GLY 196 Ca 0.11 0.37 -0.43 0.00 0.00 0.00 0.00 46.02 46.07 1iru n GLY 196 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iru s THR 197 N -0.85 3.04 -0.43 2.61 -4.23 -1.26 -4.87 115.64 109.64 1iru s THR 197 Ca 0.61 0.04 -0.43 0.00 -1.18 0.00 0.00 61.69 60.73 1iru s THR 197 Cb -0.69 -3.04 -0.18 0.00 1.34 0.00 0.00 72.50 69.94 1iru s THR 197 CO 0.58 -0.02 1.87 -1.14 -0.54 0.00 0.00 174.62 175.37 1iru n ARG 198 N 8.33 0.40 -0.13 3.99 0.63 -1.26 -4.86 116.66 123.77 1iru n ARG 198 Ca 0.26 0.13 0.10 0.00 -0.92 0.00 0.00 57.85 57.43 1iru n ARG 198 Cb 0.44 -1.76 0.30 0.00 0.45 0.00 0.00 32.46 31.89 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 6.08 2.26 0.00 6.15 4.32 -1.26 -4.96 117.00 129.59 1iru n LEU 199 Ca 0.38 -0.98 -0.17 0.00 -0.02 0.00 0.00 56.01 55.23 1iru n LEU 199 Cb 0.02 -0.17 -0.05 0.00 -1.62 0.00 0.00 43.42 41.60 1iru n LEU 199 CO 0.86 0.49 0.05 0.61 -1.22 0.00 0.00 177.39 178.17 1iru n GLY 200 N 1.24 2.50 3.23 -0.72 0.00 -1.26 -5.16 105.19 105.02 1iru n GLY 200 Ca 0.17 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.03 1.95 0.00 1.61 0.52 -1.26 -4.99 118.95 113.74 1iru s ARG 201 Ca 0.33 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 1iru s ARG 201 Cb 0.00 -1.79 0.00 0.00 0.52 0.00 0.00 34.95 33.68 1iru s ARG 201 CO 0.24 0.42 0.00 0.66 0.02 0.00 0.00 175.30 176.64 1iru n TYR 202 N 2.72 0.00 -1.45 -0.53 4.02 -1.26 -5.09 117.16 115.57 1iru n TYR 202 Ca -0.16 0.00 -0.57 0.00 -0.01 0.00 0.00 57.90 57.16 1iru n TYR 202 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.76 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 -2.58 -0.72 0.63 -1.26 -4.79 116.66 107.94 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 0.21 -1.31 -0.02 0.00 0.45 0.00 0.00 32.46 31.79 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 3.80 4.56 0.02 0.00 0.41 -1.26 -4.96 118.70 121.27 1iru s GLU 205 Ca 0.48 1.29 -0.32 0.00 -0.41 0.00 0.00 54.97 56.01 1iru s GLU 205 Cb -0.13 -3.43 -0.16 0.00 -1.78 0.00 0.00 34.13 28.62 1iru s GLU 205 CO 0.18 0.06 0.83 0.36 -0.49 0.00 0.00 175.26 176.20 1iru n LYS 206 N 3.53 0.00 0.00 1.61 2.85 -1.26 -1.46 118.16 123.43 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 -1.19 0.00 0.00 -0.65 0.00 0.00 35.03 33.69 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 1.30 3.02 0.25 2.58 0.00 -1.26 -4.93 105.19 106.14 1iru n GLY 207 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 0.74 -3.51 2.61 1.03 -1.64 -3.41 112.91 108.73 1iru h THR 208 Ca 0.00 -0.67 -0.69 0.00 -0.01 0.00 0.00 66.41 65.04 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 0.16 -0.11 -0.89 -0.01 0.00 0.00 175.52 174.68 1iru s THR 209 N -4.23 5.01 0.07 0.00 2.01 -1.26 -5.04 115.64 112.20 1iru s THR 209 Ca -0.03 -0.29 -0.31 0.00 0.31 0.00 0.00 61.69 61.38 1iru s THR 209 Cb 0.13 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.45 1iru s THR 209 CO 0.62 -0.51 1.73 0.00 -0.69 0.00 0.00 174.62 175.77 1iru s ALA 210 N 2.33 3.69 0.08 7.40 0.00 -1.26 -4.99 121.76 129.01 1iru s ALA 210 Ca 0.14 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.38 1iru s ALA 210 Cb -0.17 -3.73 -0.04 0.00 0.00 0.00 0.00 23.12 19.18 1iru s ALA 210 CO 0.14 -1.21 0.15 0.08 0.00 0.00 0.00 175.76 174.93 1iru s VAL 211 N 2.97 4.95 -0.04 0.00 1.01 -1.26 -5.03 120.40 123.01 1iru s VAL 211 Ca 0.77 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 62.19 1iru s VAL 211 Cb -0.41 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.45 1iru s VAL 211 CO 0.34 0.10 0.16 0.18 0.00 0.00 0.00 175.10 175.87 1iru n LEU 212 N 0.25 0.03 -3.63 3.92 4.77 -1.26 -5.04 117.00 116.04 1iru n LEU 212 Ca -0.07 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.72 1iru n LEU 212 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 1iru n LEU 212 CO 0.48 0.01 0.38 -0.89 -1.33 0.00 0.00 177.39 176.03 1iru s THR 213 N -2.37 0.00 0.11 -5.08 2.01 -1.26 -5.17 115.64 103.88 1iru s THR 213 Ca -0.02 -0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.01 1iru s THR 213 Cb 0.04 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 1iru s THR 213 CO 0.27 -0.00 -0.10 -1.61 -0.69 0.00 0.00 174.62 172.49 1iru s GLU 214 N 0.19 0.91 -0.30 4.92 0.41 -1.26 -5.15 118.70 118.43 1iru s GLU 214 Ca -0.01 -1.28 -0.16 0.00 -0.41 0.00 0.00 54.97 53.11 1iru s GLU 214 Cb -0.04 -0.51 0.17 0.00 -1.78 0.00 0.00 34.13 31.97 1iru s GLU 214 CO 0.02 0.06 1.05 0.21 -0.49 0.00 0.00 175.26 176.11 1iru s LYS 215 N -3.25 0.26 0.37 1.61 2.36 -1.26 -5.18 119.74 114.65 1iru s LYS 215 Ca 0.10 0.55 0.08 0.00 -2.55 0.00 0.00 55.97 54.15 1iru s LYS 215 Cb 0.00 0.21 -0.04 0.00 -1.05 0.00 0.00 37.83 36.95 1iru s LYS 215 CO -0.01 -0.07 0.19 0.42 1.55 0.00 0.00 175.35 177.43 1iru s ILE 216 N 1.82 2.77 -0.28 5.43 -1.09 -1.26 -5.13 121.20 123.46 1iru s ILE 216 Ca -0.05 -1.64 -0.07 0.00 -2.23 0.00 0.00 60.65 56.66 1iru s ILE 216 Cb -0.04 -2.99 0.14 0.00 -1.58 0.00 0.00 42.46 37.99 1iru s ILE 216 CO -0.15 -0.10 0.58 -0.89 -1.23 0.00 0.00 174.94 173.15 1iru s THR 217 N -2.48 -0.92 0.14 2.92 2.01 -1.26 -5.15 115.64 110.90 1iru s THR 217 Ca 0.40 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.13 1iru s THR 217 Cb -0.01 -0.93 -0.07 0.00 0.01 0.00 0.00 72.50 71.50 1iru s THR 217 CO 0.23 0.00 0.94 -2.84 -0.69 0.00 0.00 174.62 172.27 1iru s PRO 218 N 2.82 4.73 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 0.00 177.00 178.07 1iru n LEU 219 N 2.43 0.00 0.00 -5.54 4.77 -1.26 -5.38 117.00 112.02 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