#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 -0.40 0.26 12.58 2.01 -1.26 -0.60 115.64 128.23 1iru s THR 2 Ca 0.00 0.09 0.11 0.00 0.31 0.00 0.00 61.69 62.20 1iru s THR 2 Cb 0.00 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 1iru s THR 2 CO 0.00 -0.03 -0.17 0.27 -0.69 0.00 0.00 174.62 174.00 1iru s ILE 3 N 2.39 2.67 -0.14 1.82 -4.36 -0.72 -2.70 121.20 120.16 1iru s ILE 3 Ca 0.05 -2.22 -0.30 0.00 -0.26 0.00 0.00 60.65 57.92 1iru s ILE 3 Cb -0.14 -2.38 0.10 0.00 1.25 0.00 0.00 42.46 41.29 1iru s ILE 3 CO -0.11 -0.33 0.87 -0.32 0.24 0.00 0.00 174.94 175.29 1iru s MET 4 N -3.37 0.77 -0.08 0.37 1.75 0.16 -1.45 119.30 117.44 1iru s MET 4 Ca 0.28 0.29 -0.07 0.00 -1.25 0.00 0.00 55.69 54.94 1iru s MET 4 Cb -0.06 0.36 0.02 0.00 2.84 0.00 0.00 34.83 37.99 1iru s MET 4 CO 0.15 -0.22 0.21 0.00 -0.65 0.00 0.00 175.02 174.52 1iru s ALA 5 N -0.89 -0.53 0.02 4.11 0.00 -0.08 -0.56 121.76 123.83 1iru s ALA 5 Ca -0.04 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.56 1iru s ALA 5 Cb -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1iru s ALA 5 CO 0.04 -0.10 -0.11 0.08 0.00 0.00 0.00 175.76 175.66 1iru s VAL 6 N 0.10 0.89 -0.19 0.00 1.01 -0.42 -0.33 120.40 121.47 1iru s VAL 6 Ca -0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 1iru s VAL 6 Cb -0.02 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 1iru s VAL 6 CO 0.00 0.05 0.11 -1.58 0.00 0.00 0.00 175.10 173.69 1iru s GLN 7 N -0.78 4.05 0.08 2.72 0.74 -0.22 -1.00 119.66 125.25 1iru s GLN 7 Ca 0.01 -0.24 0.04 0.00 0.05 0.00 0.00 55.36 55.23 1iru s GLN 7 Cb -0.06 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 30.67 1iru s GLN 7 CO 0.00 0.35 -0.12 -0.59 -0.55 0.00 0.00 175.29 174.38 1iru s PHE 8 N 0.20 1.11 0.00 1.67 -0.12 -0.79 -4.90 117.98 115.14 1iru s PHE 8 Ca 0.08 -0.52 0.00 0.00 -0.05 0.00 0.00 56.93 56.43 1iru s PHE 8 Cb -0.11 -0.62 0.00 0.00 -0.63 0.00 0.00 43.02 41.66 1iru s PHE 8 CO -0.01 0.03 0.00 -3.47 -0.05 0.00 0.00 175.22 171.72 1iru n ASP 9 N 1.06 0.00 -0.77 1.98 -0.08 -1.26 -0.88 116.55 116.61 1iru n ASP 9 Ca -0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 1iru n ASP 9 Cb 0.55 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.06 1iru n ASP 9 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1iru n GLY 10 N 0.00 1.81 0.00 0.27 0.00 -1.26 -3.99 105.19 102.01 1iru n GLY 10 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1iru n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iru n GLY 11 N 0.12 -0.62 3.18 -0.02 0.00 -0.05 -3.55 105.19 104.24 1iru n GLY 11 Ca 0.04 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 1iru n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1iru s VAL 12 N -3.26 0.14 0.00 1.61 -7.23 0.18 -1.88 120.40 109.96 1iru s VAL 12 Ca 0.00 -1.13 0.08 0.00 -1.81 0.00 0.00 61.98 59.12 1iru s VAL 12 Cb 0.00 -1.16 -0.02 0.00 0.56 0.00 0.00 36.38 35.75 1iru s VAL 12 CO 0.00 -0.62 -0.24 -0.69 -0.31 0.00 0.00 175.10 173.23 1iru s VAL 13 N -3.30 2.25 -0.03 1.32 1.01 -0.17 -0.02 120.40 121.46 1iru s VAL 13 Ca 0.01 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 60.85 1iru s VAL 13 Cb 0.03 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.58 1iru s VAL 13 CO -0.08 0.50 -0.07 -0.76 0.00 0.00 0.00 175.10 174.69 1iru s LEU 14 N -0.88 1.66 0.02 3.92 1.43 0.10 -1.30 118.68 123.64 1iru s LEU 14 Ca 0.11 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1iru s LEU 14 Cb -0.10 -0.46 -0.02 0.00 0.03 0.00 0.00 46.19 45.64 1iru s LEU 14 CO 0.01 0.02 -0.03 -0.83 0.23 0.00 0.00 176.35 175.74 1iru s GLY 15 N 0.40 0.27 0.12 -3.19 0.00 0.28 -1.82 107.32 103.38 1iru s GLY 15 Ca -0.06 -0.63 -0.23 0.00 0.00 0.00 0.00 44.72 43.81 1iru s GLY 15 CO 0.00 -0.70 0.58 0.00 0.00 0.00 0.00 173.10 172.99 1iru s ALA 16 N -1.55 -1.53 0.71 3.20 0.00 -1.04 -0.67 121.76 120.88 1iru s ALA 16 Ca -0.15 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 1iru s ALA 16 Cb -0.09 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.80 1iru s ALA 16 CO -0.01 -0.69 0.26 -0.40 0.00 0.00 0.00 175.76 174.91 1iru n ASP 17 N -0.16 0.18 -0.03 0.00 5.75 -1.10 -1.51 116.55 119.67 1iru n ASP 17 Ca -0.17 -1.19 0.02 0.00 -0.01 0.00 0.00 54.79 53.44 1iru n ASP 17 Cb 0.64 -0.18 0.03 0.00 -1.03 0.00 0.00 41.12 40.57 1iru n ASP 17 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1iru n SER 18 N -3.08 1.80 -4.72 -1.12 3.41 -0.88 -4.49 113.62 104.53 1iru n SER 18 Ca 0.04 -2.10 -0.40 0.00 -0.26 0.00 0.00 58.87 56.15 1iru n SER 18 Cb 0.13 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 1iru n SER 18 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1iru s ARG 19 N -1.22 4.43 -0.13 4.33 3.52 -1.05 -0.95 118.95 127.88 1iru s ARG 19 Ca 0.06 0.88 -0.04 0.00 -0.13 0.00 0.00 55.73 56.51 1iru s ARG 19 Cb 0.05 -3.43 0.05 0.00 -1.56 0.00 0.00 34.95 30.06 1iru s ARG 19 CO 0.01 0.12 0.06 0.95 -0.81 0.00 0.00 175.30 175.63 1iru s THR 20 N 0.62 0.07 0.33 4.11 -4.23 -0.81 -4.60 115.64 111.12 1iru s THR 20 Ca 0.37 -0.06 0.09 0.00 -1.18 0.00 0.00 61.69 60.90 1iru s THR 20 Cb -0.18 -0.55 -0.04 0.00 1.34 0.00 0.00 72.50 73.07 1iru s THR 20 CO 0.18 -0.10 0.10 0.42 -0.54 0.00 0.00 174.62 174.68 1iru s THR 21 N 2.08 3.00 -0.33 3.99 -4.23 -1.26 -1.64 115.64 117.25 1iru s THR 21 Ca 0.03 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 58.75 1iru s THR 21 Cb -0.15 -2.93 0.11 0.00 1.34 0.00 0.00 72.50 70.87 1iru s THR 21 CO -0.07 -0.21 0.13 0.42 -0.54 0.00 0.00 174.62 174.35 1iru s THR 22 N -2.43 0.78 0.00 3.99 -4.23 -0.53 -4.89 115.64 108.32 1iru s THR 22 Ca 0.36 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 1iru s THR 22 Cb -0.02 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 72.23 1iru s THR 22 CO 0.22 -0.73 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 1iru n GLY 23 N 4.67 1.95 0.15 3.99 0.00 -1.26 -2.70 105.19 111.99 1iru n GLY 23 Ca -0.00 -0.50 0.01 0.00 0.00 0.00 0.00 46.02 45.53 1iru n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iru n SER 24 N 8.15 2.03 -4.68 1.61 7.64 -1.26 -4.98 113.62 122.13 1iru n SER 24 Ca 0.00 -1.83 -0.36 0.00 1.01 0.00 0.00 58.87 57.70 1iru n SER 24 Cb 0.00 -0.05 -0.09 0.00 -1.01 0.00 0.00 64.21 63.07 1iru n SER 24 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1iru s TYR 25 N -0.85 3.35 -0.61 1.43 5.04 -1.10 -5.05 117.35 119.56 1iru s TYR 25 Ca 0.05 0.25 -0.28 0.00 -2.44 0.00 0.00 57.07 54.65 1iru s TYR 25 Cb 0.03 -2.22 0.03 0.00 0.35 0.00 0.00 41.96 40.15 1iru s TYR 25 CO 0.04 0.15 1.21 0.42 -1.34 0.00 0.00 175.55 176.03 1iru s ILE 26 N 0.76 3.96 -0.73 3.14 1.01 -1.26 -1.46 121.20 126.62 1iru s ILE 26 Ca 0.07 0.80 0.26 0.00 0.00 0.00 0.00 60.65 61.79 1iru s ILE 26 Cb -0.12 -4.77 0.28 0.00 0.01 0.00 0.00 42.46 37.86 1iru s ILE 26 CO 0.02 -1.45 1.78 0.00 0.00 0.00 0.00 174.94 175.29 1iru n ALA 27 N 8.63 2.21 -3.48 9.38 0.00 -0.65 -4.68 120.51 131.92 1iru n ALA 27 Ca 0.07 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.50 1iru n ALA 27 Cb 0.49 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 1iru n ALA 27 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1iru s ASN 28 N -4.33 -1.14 0.00 0.00 3.84 -1.16 -5.01 114.94 107.14 1iru s ASN 28 Ca 0.10 1.28 0.23 0.00 0.21 0.00 0.00 52.86 54.68 1iru s ASN 28 Cb 0.13 2.18 0.40 0.00 -0.55 0.00 0.00 41.25 43.41 1iru s ASN 28 CO 0.56 -0.22 1.38 -2.11 -2.79 0.00 0.00 177.10 173.93 1iru n ARG 29 N 5.40 2.49 -0.30 0.43 1.85 -1.26 -1.93 116.66 123.34 1iru n ARG 29 Ca -0.09 -2.26 0.05 0.00 -1.00 0.00 0.00 57.85 54.56 1iru n ARG 29 Cb 0.50 -1.51 0.08 0.00 -1.05 0.00 0.00 32.46 30.48 1iru n ARG 29 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1iru n VAL 30 N 1.48 1.01 -1.51 8.89 0.31 -1.13 -4.11 118.33 123.27 1iru n VAL 30 Ca 0.19 -1.24 -0.38 0.00 -0.01 0.00 0.00 64.34 62.90 1iru n VAL 30 Cb 0.61 0.12 0.04 0.00 -0.91 0.00 0.00 33.84 33.70 1iru n VAL 30 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1iru n THR 31 N -0.75 2.73 -3.60 2.52 -1.04 -0.12 -4.95 114.28 109.08 1iru n THR 31 Ca 0.09 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.20 1iru n THR 31 Cb 0.68 -0.82 -0.08 0.00 -1.82 0.00 0.00 70.33 68.29 1iru n THR 31 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1iru s ASP 32 N -1.21 5.66 0.00 8.00 -1.08 -1.26 -4.46 116.67 122.33 1iru s ASP 32 Ca 0.71 -2.30 0.17 0.00 -0.52 0.00 0.00 52.55 50.61 1iru s ASP 32 Cb -0.43 -1.97 0.65 0.00 -1.46 0.00 0.00 42.92 39.70 1iru s ASP 32 CO 0.52 -0.57 1.47 0.29 0.52 0.00 0.00 175.17 177.40 1iru n LYS 33 N 4.34 1.64 -3.73 4.34 5.02 -1.26 -4.67 118.16 123.83 1iru n LYS 33 Ca 0.00 -0.97 -0.38 0.00 -2.02 0.00 0.00 58.31 54.95 1iru n LYS 33 Cb 0.41 -1.34 -0.12 0.00 -0.02 0.00 0.00 35.03 33.96 1iru n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1iru s LEU 34 N -1.41 4.32 -0.17 -0.35 1.43 -1.26 -2.08 118.68 119.17 1iru s LEU 34 Ca 0.28 -1.08 -0.06 0.00 -1.03 0.00 0.00 54.13 52.25 1iru s LEU 34 Cb 0.15 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1iru s LEU 34 CO 0.22 -0.32 0.03 -0.89 0.23 0.00 0.00 176.35 175.62 1iru s THR 35 N 1.43 4.48 -0.07 5.49 2.01 -0.45 -4.95 115.64 123.58 1iru s THR 35 Ca -0.01 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 1iru s THR 35 Cb -0.19 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 1iru s THR 35 CO 0.03 0.48 1.25 -2.84 -0.69 0.00 0.00 174.62 172.85 1iru s PRO 36 N 0.30 4.32 -0.21 4.92 0.02 -1.26 -1.77 135.00 141.32 1iru s PRO 36 Ca 0.01 1.73 0.11 0.00 0.02 0.00 0.00 61.00 62.87 1iru s PRO 36 Cb -0.13 -3.60 -0.22 0.00 0.02 0.00 0.00 34.50 30.56 1iru s PRO 36 CO 0.01 -0.52 0.01 -0.89 -0.33 0.00 0.00 177.00 175.28 1iru n ILE 37 N 4.78 1.45 -3.60 2.83 2.08 0.08 -4.98 119.36 121.99 1iru n ILE 37 Ca 0.12 -0.75 -0.09 0.00 0.56 0.00 0.00 62.75 62.59 1iru n ILE 37 Cb 0.45 -0.86 -0.02 0.00 -0.75 0.00 0.00 39.64 38.47 1iru n ILE 37 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1iru s HIS 38 N -2.51 -0.36 0.10 1.39 2.46 -0.95 -4.58 115.29 110.85 1iru s HIS 38 Ca -0.19 0.07 -0.02 0.00 0.47 0.00 0.00 55.06 55.40 1iru s HIS 38 Cb 0.07 0.61 0.19 0.00 -0.13 0.00 0.00 32.58 33.32 1iru s HIS 38 CO 0.75 -0.92 0.57 -0.25 -2.47 0.00 0.00 174.74 172.42 1iru n ASP 39 N -0.40 -0.11 -0.86 9.88 8.00 -1.26 -0.75 116.55 131.05 1iru n ASP 39 Ca -0.11 0.63 0.05 0.00 0.71 0.00 0.00 54.79 56.07 1iru n ASP 39 Cb 0.62 -0.20 0.12 0.00 -0.02 0.00 0.00 41.12 41.64 1iru n ASP 39 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1iru n ARG 40 N -4.54 0.87 -4.65 -1.24 1.74 -1.26 -4.81 116.66 102.76 1iru n ARG 40 Ca 0.06 -2.59 -0.24 0.00 -0.77 0.00 0.00 57.85 54.31 1iru n ARG 40 Cb 0.20 -0.95 -0.16 0.00 -1.02 0.00 0.00 32.46 30.54 1iru n ARG 40 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1iru s ILE 41 N -1.80 1.19 0.21 0.55 1.01 0.07 -1.35 121.20 121.07 1iru s ILE 41 Ca 0.33 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.47 1iru s ILE 41 Cb 0.34 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.70 1iru s ILE 41 CO -0.09 0.36 -0.04 -0.36 0.00 0.00 0.00 174.94 174.81 1iru s PHE 42 N 0.33 1.53 0.02 3.97 0.40 -0.42 -0.74 117.98 123.07 1iru s PHE 42 Ca -0.08 -0.84 0.00 0.00 -0.60 0.00 0.00 56.93 55.41 1iru s PHE 42 Cb -0.13 -0.85 -0.02 0.00 0.51 0.00 0.00 43.02 42.53 1iru s PHE 42 CO 0.03 0.04 -0.03 0.00 0.70 0.00 0.00 175.22 175.96 1iru s ARG 45 N -1.12 2.12 0.00 0.00 0.52 -0.88 -2.55 118.95 117.04 1iru s ARG 45 Ca 0.16 -0.93 -0.07 0.00 -0.52 0.00 0.00 55.73 54.37 1iru s ARG 45 Cb -0.11 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.25 1iru s ARG 45 CO 0.05 0.56 0.14 -1.54 0.02 0.00 0.00 175.30 174.53 1iru s SER 46 N -0.84 0.03 0.00 0.23 1.04 -0.83 -4.93 113.70 108.41 1iru s SER 46 Ca 0.11 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1iru s SER 46 Cb -0.10 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1iru s SER 46 CO 0.00 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1iru n GLY 47 N 1.43 0.21 3.65 7.32 0.00 -1.26 -0.58 105.19 115.96 1iru n GLY 47 Ca -0.23 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 1iru n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iru s SER 48 N -4.00 6.54 0.14 1.61 0.15 0.67 -4.89 113.70 113.91 1iru s SER 48 Ca 0.00 2.13 -0.20 0.00 0.70 0.00 0.00 55.95 58.59 1iru s SER 48 Cb 0.00 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 1iru s SER 48 CO 0.00 -1.05 1.69 0.00 1.20 0.00 0.00 173.24 175.08 1iru h ALA 49 N 10.10 0.12 -0.80 5.45 0.00 -1.93 0.21 119.26 132.41 1iru h ALA 49 Ca -0.39 0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.67 1iru h ALA 49 Cb 1.18 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 1iru h ALA 49 CO 0.96 -0.50 0.48 0.00 0.00 0.00 0.00 179.25 180.20 1iru h ALA 50 N 1.17 1.09 -0.01 0.00 0.00 -1.98 0.10 119.26 119.64 1iru h ALA 50 Ca 0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1iru h ALA 50 Cb 0.23 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1iru h ALA 50 CO -0.27 0.21 -0.00 -0.44 0.00 0.00 0.00 179.25 178.75 1iru h ASP 51 N 0.89 0.02 -0.18 0.00 3.32 -1.61 -1.10 116.42 117.75 1iru h ASP 51 Ca 0.35 -0.36 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1iru h ASP 51 Cb 0.17 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1iru h ASP 51 CO -0.17 0.38 -0.11 0.71 -1.72 0.00 0.00 179.24 178.32 1iru h THR 52 N -0.33 1.23 0.25 0.35 1.35 -0.33 0.05 112.91 115.48 1iru h THR 52 Ca 0.00 -1.02 -0.01 0.00 -0.55 0.00 0.00 66.41 64.83 1iru h THR 52 Cb 0.37 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1iru h THR 52 CO 0.00 0.34 -0.12 1.56 -0.25 0.00 0.00 175.52 177.05 1iru h GLN 53 N 0.50 -0.33 -0.70 4.72 4.20 -0.78 -1.29 115.11 121.44 1iru h GLN 53 Ca 0.09 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.93 1iru h GLN 53 Cb 0.49 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 28.27 1iru h GLN 53 CO 0.03 0.01 0.32 0.00 -0.67 0.00 0.00 178.83 178.52 1iru h ALA 54 N -0.12 0.96 -0.37 3.87 0.00 -1.04 -1.03 119.26 121.54 1iru h ALA 54 Ca -0.03 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1iru h ALA 54 Cb 0.49 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1iru h ALA 54 CO 0.06 -0.10 0.03 0.28 0.00 0.00 0.00 179.25 179.51 1iru h VAL 55 N 0.54 1.25 -0.50 0.00 2.07 -0.97 -2.43 116.25 116.21 1iru h VAL 55 Ca 0.35 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1iru h VAL 55 Cb 0.42 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1iru h VAL 55 CO -0.30 0.31 0.26 0.00 0.02 0.00 0.00 177.57 177.86 1iru h ALA 56 N 0.89 0.64 -0.90 1.67 0.00 -0.62 -0.52 119.26 120.43 1iru h ALA 56 Ca 0.11 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1iru h ALA 56 Cb 0.42 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1iru h ALA 56 CO 0.01 0.18 0.58 -0.44 0.00 0.00 0.00 179.25 179.59 1iru h ASP 57 N 0.66 0.98 -0.68 0.00 3.32 -1.15 -0.18 116.42 119.36 1iru h ASP 57 Ca 0.17 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1iru h ASP 57 Cb 0.08 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1iru h ASP 57 CO -0.03 0.68 0.42 0.00 -1.72 0.00 0.00 179.24 178.59 1iru h ALA 58 N 1.36 0.87 -0.31 3.45 0.00 -0.88 -0.68 119.26 123.08 1iru h ALA 58 Ca 0.35 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 1iru h ALA 58 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1iru h ALA 58 CO -0.11 0.34 -0.42 0.28 0.00 0.00 0.00 179.25 179.34 1iru h VAL 59 N 0.93 1.29 -0.76 0.00 2.07 -0.45 -0.93 116.25 118.40 1iru h VAL 59 Ca 0.25 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 1iru h VAL 59 Cb -0.04 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1iru h VAL 59 CO -0.05 0.52 0.45 0.74 0.02 0.00 0.00 177.57 179.26 1iru h THR 60 N 0.63 1.22 -0.16 2.57 2.02 -0.73 0.41 112.91 118.86 1iru h THR 60 Ca 0.05 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1iru h THR 60 Cb 0.98 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1iru h THR 60 CO 0.09 0.23 0.04 0.22 0.37 0.00 0.00 175.52 176.47 1iru h TYR 61 N 1.04 0.28 -0.29 3.16 3.20 -0.95 -0.03 116.97 123.38 1iru h TYR 61 Ca 0.27 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.11 1iru h TYR 61 Cb -0.03 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 1iru h TYR 61 CO -0.01 0.40 0.18 1.96 -1.64 0.00 0.00 178.16 179.06 1iru h GLN 62 N 0.07 0.36 -0.33 1.82 4.20 -0.61 -2.89 115.11 117.73 1iru h GLN 62 Ca 0.05 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.60 1iru h GLN 62 Cb 0.27 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1iru h GLN 62 CO 0.00 0.24 -0.34 1.25 -0.67 0.00 0.00 178.83 179.31 1iru h LEU 63 N 0.37 0.88 -1.31 1.46 5.85 -0.15 -2.48 115.31 119.93 1iru h LEU 63 Ca 0.11 -0.47 0.05 0.00 0.84 0.00 0.00 57.88 58.41 1iru h LEU 63 Cb -0.03 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 1iru h LEU 63 CO -0.03 1.17 0.50 1.23 -0.34 0.00 0.00 178.44 180.96 1iru h GLY 64 N 0.60 1.04 0.89 3.75 0.00 -0.93 -1.80 103.07 106.61 1iru h GLY 64 Ca 0.05 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 1iru h GLY 64 CO 0.08 0.27 -0.48 -2.75 0.00 0.00 0.00 176.54 173.66 1iru h PHE 65 N 0.86 0.71 -0.56 5.60 3.57 -1.47 -2.99 116.94 122.66 1iru h PHE 65 Ca 0.31 -0.30 0.07 0.00 3.53 0.00 0.00 57.97 61.58 1iru h PHE 65 Cb 0.16 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.72 1iru h PHE 65 CO -0.00 1.08 0.25 1.25 -2.23 0.00 0.00 178.31 178.65 1iru h HIS 66 N 0.15 0.44 -0.35 0.41 2.76 -0.95 -1.53 115.15 116.08 1iru h HIS 66 Ca -0.03 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.02 1iru h HIS 66 Cb 1.12 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 1iru h HIS 66 CO 0.11 0.17 -0.36 0.77 -1.30 0.00 0.00 177.93 177.32 1iru h SER 67 N 0.46 0.93 -0.57 3.26 0.02 -1.40 -1.92 113.55 114.32 1iru h SER 67 Ca 0.27 -0.47 -0.08 0.00 -0.84 0.00 0.00 61.79 60.66 1iru h SER 67 Cb 0.25 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1iru h SER 67 CO -0.23 1.21 0.03 0.40 -1.14 0.00 0.00 176.83 177.10 1iru h ILE 68 N 0.67 1.26 -0.19 3.27 2.04 -1.45 1.65 117.51 124.77 1iru h ILE 68 Ca 0.06 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.81 1iru h ILE 68 Cb 0.95 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1iru h ILE 68 CO 0.09 0.39 0.01 -0.08 0.00 0.00 0.00 178.15 178.56 1iru h GLU 69 N 0.88 0.27 0.00 2.37 4.81 -1.20 -2.32 114.58 119.39 1iru h GLU 69 Ca 0.17 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1iru h GLU 69 Cb 0.50 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1iru h GLU 69 CO 0.02 0.29 -1.45 1.28 -0.73 0.00 0.00 179.01 178.42 1iru n LEU 70 N -4.39 0.54 -3.49 1.64 4.77 -0.73 -5.00 117.00 110.34 1iru n LEU 70 Ca -0.00 -0.26 -0.22 0.00 -0.03 0.00 0.00 56.01 55.50 1iru n LEU 70 Cb 0.17 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.30 1iru n LEU 70 CO 0.36 0.13 0.01 -3.20 -1.33 0.00 0.00 177.39 173.36 1iru n ASN 71 N -1.86 -6.03 -3.51 -1.43 2.85 0.56 -4.99 115.26 100.85 1iru n ASN 71 Ca 0.00 -0.78 -0.10 0.00 -0.11 0.00 0.00 54.58 53.60 1iru n ASN 71 Cb 0.44 -3.94 -0.03 0.00 1.24 0.00 0.00 39.78 37.49 1iru n ASN 71 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1iru s GLU 72 N -4.99 0.84 0.13 1.20 2.12 -0.80 -5.03 118.70 112.17 1iru s GLU 72 Ca 0.34 -0.15 -0.31 0.00 0.36 0.00 0.00 54.97 55.21 1iru s GLU 72 Cb -0.10 0.39 -0.08 0.00 0.26 0.00 0.00 34.13 34.60 1iru s GLU 72 CO 0.82 -0.33 1.31 -2.14 -0.54 0.00 0.00 175.26 174.37 1iru s PRO 73 N -2.51 4.38 0.52 4.30 0.02 -1.26 -4.65 135.00 135.80 1iru s PRO 73 Ca 0.01 1.98 -0.20 0.00 0.02 0.00 0.00 61.00 62.82 1iru s PRO 73 Cb -0.01 -3.25 -0.07 0.00 0.02 0.00 0.00 34.50 31.19 1iru s PRO 73 CO -0.05 -0.31 1.10 -1.25 -0.33 0.00 0.00 177.00 176.16 1iru s PRO 74 N 0.64 3.51 0.49 5.54 0.04 -1.26 -4.95 135.00 139.01 1iru s PRO 74 Ca 0.60 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 62.98 1iru s PRO 74 Cb -0.35 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.06 1iru s PRO 74 CO 0.33 -0.70 1.04 -0.51 0.04 0.00 0.00 177.00 177.19 1iru s LEU 75 N -3.67 3.84 0.21 -3.56 1.43 -1.26 -4.87 118.68 110.80 1iru s LEU 75 Ca 0.71 1.92 -0.01 0.00 -1.03 0.00 0.00 54.13 55.72 1iru s LEU 75 Cb -0.22 -4.56 0.18 0.00 0.03 0.00 0.00 46.19 41.62 1iru s LEU 75 CO 0.25 -0.78 1.54 0.58 0.23 0.00 0.00 176.35 178.17 1iru h VAL 76 N 1.53 1.33 -0.22 -1.59 2.07 -1.94 -2.63 116.25 114.79 1iru h VAL 76 Ca -0.49 -1.77 -0.04 0.00 0.82 0.00 0.00 66.70 65.21 1iru h VAL 76 Cb 1.22 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1iru h VAL 76 CO 0.59 0.55 -0.04 -0.74 0.02 0.00 0.00 177.57 177.94 1iru h HIS 77 N 0.37 0.35 0.07 1.57 6.17 -1.98 -1.59 115.15 120.11 1iru h HIS 77 Ca 0.01 -0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.06 1iru h HIS 77 Cb 1.04 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 30.87 1iru h HIS 77 CO 0.04 0.39 -0.04 1.15 0.71 0.00 0.00 177.93 180.18 1iru h THR 78 N 0.33 1.14 -0.97 6.26 2.02 -1.86 -1.07 112.91 118.76 1iru h THR 78 Ca 0.07 -0.78 0.12 0.00 0.77 0.00 0.00 66.41 66.60 1iru h THR 78 Cb 0.29 1.64 -0.08 0.00 -1.74 0.00 0.00 68.15 68.27 1iru h THR 78 CO 0.01 0.19 0.62 0.00 0.37 0.00 0.00 175.52 176.71 1iru h ALA 79 N 0.44 1.60 -0.27 6.16 0.00 -1.21 0.36 119.26 126.33 1iru h ALA 79 Ca -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1iru h ALA 79 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1iru h ALA 79 CO 0.02 0.17 0.08 0.00 0.00 0.00 0.00 179.25 179.51 1iru h ALA 80 N 1.55 0.36 -0.94 0.00 0.00 -1.13 -2.86 119.26 116.23 1iru h ALA 80 Ca 0.48 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.33 1iru h ALA 80 Cb 0.52 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1iru h ALA 80 CO -0.24 0.00 0.58 0.77 0.00 0.00 0.00 179.25 180.36 1iru h SER 81 N 0.28 0.88 0.37 0.00 0.02 0.38 0.05 113.55 115.54 1iru h SER 81 Ca 0.09 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1iru h SER 81 Cb 0.25 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1iru h SER 81 CO -0.00 0.52 -0.29 -0.07 -1.14 0.00 0.00 176.83 175.85 1iru h LEU 82 N 0.99 0.00 0.02 5.07 3.38 -1.12 0.28 115.31 123.93 1iru h LEU 82 Ca 0.44 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.36 1iru h LEU 82 Cb 0.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1iru h LEU 82 CO -0.23 0.29 -0.23 -0.26 0.09 0.00 0.00 178.44 178.10 1iru h PHE 83 N 0.00 0.18 -1.01 1.13 -1.00 -1.09 -3.11 116.94 112.05 1iru h PHE 83 Ca -0.00 -0.12 0.07 0.00 2.81 0.00 0.00 57.97 60.73 1iru h PHE 83 Cb 0.55 -0.01 -0.07 0.00 3.61 0.00 0.00 35.95 40.03 1iru h PHE 83 CO 0.00 1.01 0.65 -0.22 -1.61 0.00 0.00 178.31 178.14 1iru h LYS 84 N -0.69 1.14 -0.01 1.51 3.11 -0.71 0.33 116.57 121.25 1iru h LYS 84 Ca -0.04 -0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 57.74 1iru h LYS 84 Cb 1.09 -0.26 -0.00 0.00 -1.00 0.00 0.00 32.23 32.06 1iru h LYS 84 CO 0.04 0.75 0.00 0.93 -2.81 0.00 0.00 179.45 178.37 1iru h GLU 85 N 1.17 0.01 -0.44 1.90 4.39 -0.54 0.90 114.58 121.96 1iru h GLU 85 Ca 0.44 -0.00 -0.13 0.00 0.34 0.00 0.00 59.36 60.01 1iru h GLU 85 Cb 0.18 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1iru h GLU 85 CO -0.18 0.12 -0.22 0.52 -1.16 0.00 0.00 179.01 178.09 1iru h MET 86 N -0.10 0.91 0.00 2.33 2.86 -1.35 -0.94 114.93 118.63 1iru h MET 86 Ca 0.00 -0.38 -0.06 0.00 -2.06 0.00 0.00 59.70 57.20 1iru h MET 86 Cb 0.11 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1iru h MET 86 CO -0.00 1.03 -0.31 0.00 1.06 0.00 0.00 176.91 178.69 1iru h TYR 88 N 0.00 0.00 -0.79 0.00 3.20 -0.75 -2.75 116.97 115.89 1iru h TYR 88 Ca -0.00 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.96 1iru h TYR 88 Cb 0.90 -0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.10 1iru h TYR 88 CO 0.00 1.19 0.43 -0.09 -1.64 0.00 0.00 178.16 178.05 1iru h ARG 89 N -1.00 0.70 -0.45 1.82 2.43 -1.18 -2.55 114.38 114.14 1iru h ARG 89 Ca -0.14 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 58.78 1iru h ARG 89 Cb 1.12 -0.16 -0.13 0.00 -0.42 0.00 0.00 29.97 30.38 1iru h ARG 89 CO -0.08 0.46 0.05 0.66 -1.51 0.00 0.00 179.97 179.55 1iru n TYR 90 N -4.79 1.41 -0.13 2.20 4.02 -0.50 -4.74 117.16 114.63 1iru n TYR 90 Ca 0.13 -1.57 0.27 0.00 -0.01 0.00 0.00 57.90 56.72 1iru n TYR 90 Cb 0.28 -0.55 0.72 0.00 -0.02 0.00 0.00 39.34 39.77 1iru n TYR 90 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1iru h ARG 91 N 1.11 0.00 0.00 -0.72 0.11 -1.13 0.18 114.38 113.93 1iru h ARG 91 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 1iru h ARG 91 Cb 1.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.92 1iru h ARG 91 CO 0.49 0.00 0.00 0.93 0.10 0.00 0.00 179.97 181.49 1iru h GLU 92 N 0.00 0.00 -0.09 0.08 4.39 -1.85 -3.30 114.58 113.81 1iru h GLU 92 Ca 0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1iru h GLU 92 Cb 1.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.26 1iru h GLU 92 CO -0.00 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.60 1iru n ASP 93 N -2.53 2.07 -4.35 1.42 8.00 0.58 -5.02 116.55 116.71 1iru n ASP 93 Ca 0.05 -1.81 -0.22 0.00 0.71 0.00 0.00 54.79 53.52 1iru n ASP 93 Cb 0.46 -0.06 -0.11 0.00 -0.02 0.00 0.00 41.12 41.39 1iru n ASP 93 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1iru s LEU 94 N -0.84 2.45 -0.48 0.64 1.43 -0.76 -5.07 118.68 116.06 1iru s LEU 94 Ca 0.07 -0.88 0.04 0.00 -1.03 0.00 0.00 54.13 52.32 1iru s LEU 94 Cb 0.04 -0.89 0.17 0.00 0.03 0.00 0.00 46.19 45.53 1iru s LEU 94 CO 0.05 -0.01 0.36 -0.04 0.23 0.00 0.00 176.35 176.94 1iru s MET 95 N -2.86 1.26 -0.06 1.70 -1.94 -1.26 -4.88 119.30 111.25 1iru s MET 95 Ca 0.18 -2.34 0.02 0.00 -1.71 0.00 0.00 55.69 51.84 1iru s MET 95 Cb -0.06 -1.91 0.02 0.00 2.01 0.00 0.00 34.83 34.89 1iru s MET 95 CO 0.08 -1.34 -0.11 0.00 -0.01 0.00 0.00 175.02 173.64 1iru s ALA 96 N -0.21 1.16 -0.33 3.03 0.00 -1.26 -0.24 121.76 123.90 1iru s ALA 96 Ca 0.29 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.91 1iru s ALA 96 Cb -0.01 -0.56 0.09 0.00 0.00 0.00 0.00 23.12 22.64 1iru s ALA 96 CO -0.17 0.07 0.05 0.20 0.00 0.00 0.00 175.76 175.91 1iru s GLY 97 N 0.76 1.87 0.06 0.00 0.00 0.26 -3.51 107.32 106.74 1iru s GLY 97 Ca -0.13 -2.27 0.07 0.00 0.00 0.00 0.00 44.72 42.38 1iru s GLY 97 CO 0.03 0.86 -0.15 -0.42 0.00 0.00 0.00 173.10 173.42 1iru s ILE 98 N 1.05 3.05 -0.07 0.90 -1.09 -0.53 -1.96 121.20 122.55 1iru s ILE 98 Ca 0.04 -1.18 0.02 0.00 -2.23 0.00 0.00 60.65 57.31 1iru s ILE 98 Cb -0.20 -2.34 0.01 0.00 -1.58 0.00 0.00 42.46 38.35 1iru s ILE 98 CO -0.06 0.27 -0.14 -0.63 -1.23 0.00 0.00 174.94 173.15 1iru s ILE 99 N -1.02 1.32 -0.17 2.92 1.01 -1.06 -0.56 121.20 123.64 1iru s ILE 99 Ca 0.17 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1iru s ILE 99 Cb -0.11 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 41.18 1iru s ILE 99 CO 0.08 0.40 -0.16 -0.63 0.00 0.00 0.00 174.94 174.63 1iru s ILE 100 N 0.64 2.55 0.04 2.92 1.09 0.61 -0.58 121.20 128.46 1iru s ILE 100 Ca -0.15 -0.80 0.02 0.00 -1.10 0.00 0.00 60.65 58.63 1iru s ILE 100 Cb -0.16 -2.08 -0.02 0.00 -1.06 0.00 0.00 42.46 39.14 1iru s ILE 100 CO 0.04 0.51 -0.07 0.00 -0.10 0.00 0.00 174.94 175.32 1iru s ALA 101 N 1.00 0.55 0.00 9.38 0.00 -0.73 0.76 121.76 132.73 1iru s ALA 101 Ca -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1iru s ALA 101 Cb -0.15 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1iru s ALA 101 CO -0.03 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1iru n GLY 102 N 1.64 -1.30 3.55 0.00 0.00 -0.78 -1.30 105.19 107.00 1iru n GLY 102 Ca -0.22 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 1iru n GLY 102 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1iru s TRP 103 N -2.29 2.85 -0.14 1.61 -0.00 -0.46 -1.76 118.94 118.75 1iru s TRP 103 Ca 0.00 -0.05 0.01 0.00 -0.00 0.00 0.00 56.10 56.06 1iru s TRP 103 Cb 0.00 -1.66 0.02 0.00 -0.00 0.00 0.00 33.47 31.83 1iru s TRP 103 CO 0.00 0.29 -0.15 0.34 -0.00 0.00 0.00 176.95 177.44 1iru s ASP 104 N -0.90 2.64 0.66 5.86 -1.08 0.29 -4.77 116.67 119.37 1iru s ASP 104 Ca 0.13 -0.48 0.39 0.00 -0.52 0.00 0.00 52.55 52.07 1iru s ASP 104 Cb -0.11 -1.17 2.15 0.00 -1.46 0.00 0.00 42.92 42.33 1iru s ASP 104 CO 0.02 -0.03 2.24 -0.65 0.52 0.00 0.00 175.17 177.27 1iru h PRO 105 N 7.86 0.00 0.00 4.34 0.11 -1.89 1.07 132.00 143.50 1iru h PRO 105 Ca -0.36 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.39 1iru h PRO 105 Cb 1.15 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 1iru h PRO 105 CO 0.52 0.00 -2.33 0.94 -0.21 0.00 0.00 178.00 176.93 1iru n GLN 106 N -3.15 0.68 0.00 1.05 7.27 -1.26 -4.61 117.38 117.36 1iru n GLN 106 Ca -0.02 0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1iru n GLN 106 Cb 0.17 -1.54 0.00 0.00 2.41 0.00 0.00 30.24 31.27 1iru n GLN 106 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1iru n GLU 107 N -2.77 3.39 0.00 3.69 -0.58 -0.98 -5.11 120.64 118.27 1iru n GLU 107 Ca -0.31 -0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.23 1iru n GLU 107 Cb 1.14 -0.67 0.00 0.00 -0.57 0.00 0.00 31.44 31.34 1iru n GLU 107 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iru n GLY 108 N 0.54 0.40 3.74 0.62 0.00 0.37 -4.79 105.19 106.07 1iru n GLY 108 Ca 0.00 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 1iru n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iru s GLY 109 N -0.03 2.74 0.00 -0.02 0.00 -1.26 0.11 107.32 108.87 1iru s GLY 109 Ca 0.00 0.24 -0.14 0.00 0.00 0.00 0.00 44.72 44.82 1iru s GLY 109 CO 0.00 1.13 0.30 -0.86 0.00 0.00 0.00 173.10 173.67 1iru s GLN 110 N 0.21 0.70 -0.07 2.90 -2.07 -0.72 -4.89 119.66 115.71 1iru s GLN 110 Ca 0.39 -0.29 0.00 0.00 -1.82 0.00 0.00 55.36 53.64 1iru s GLN 110 Cb -0.20 0.31 0.02 0.00 -1.09 0.00 0.00 33.01 32.05 1iru s GLN 110 CO 0.22 -0.20 -0.05 0.08 -1.32 0.00 0.00 175.29 174.01 1iru s VAL 111 N -1.67 0.72 0.02 3.63 1.01 -1.26 -1.86 120.40 120.99 1iru s VAL 111 Ca -0.11 -0.17 0.09 0.00 0.00 0.00 0.00 61.98 61.79 1iru s VAL 111 Cb -0.04 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 1iru s VAL 111 CO 0.02 0.29 -0.26 -0.31 0.00 0.00 0.00 175.10 174.84 1iru s TYR 112 N 1.30 2.34 -0.11 5.22 1.51 0.23 -1.22 117.35 126.63 1iru s TYR 112 Ca -0.04 -0.41 -0.02 0.00 -1.01 0.00 0.00 57.07 55.59 1iru s TYR 112 Cb -0.14 -1.45 -0.03 0.00 -0.11 0.00 0.00 41.96 40.24 1iru s TYR 112 CO -0.02 0.06 -0.03 -1.12 -1.11 0.00 0.00 175.55 173.32 1iru s SER 113 N -0.97 4.89 -0.46 2.29 0.01 0.53 -0.28 113.70 119.71 1iru s SER 113 Ca 0.11 -0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.39 1iru s SER 113 Cb -0.10 -1.52 0.16 0.00 0.21 0.00 0.00 66.02 64.77 1iru s SER 113 CO 0.01 0.29 0.33 -0.69 0.41 0.00 0.00 173.24 173.58 1iru s VAL 114 N -0.33 0.95 0.97 3.43 1.01 0.28 -1.59 120.40 125.12 1iru s VAL 114 Ca 0.06 -2.75 -0.16 0.00 0.00 0.00 0.00 61.98 59.12 1iru s VAL 114 Cb -0.12 -1.65 0.23 0.00 0.00 0.00 0.00 36.38 34.83 1iru s VAL 114 CO 0.02 -1.09 1.11 -0.81 0.00 0.00 0.00 175.10 174.33 1iru n PRO 115 N 3.03 -1.88 -0.29 2.72 -0.04 -1.25 -1.45 135.00 135.84 1iru n PRO 115 Ca 0.21 -1.74 -0.08 0.00 -0.04 0.00 0.00 63.50 61.85 1iru n PRO 115 Cb 0.41 -1.33 -0.07 0.00 -0.04 0.00 0.00 33.50 32.47 1iru n PRO 115 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1iru n MET 116 N -3.93 -0.30 -0.30 0.54 2.81 -1.23 -1.35 117.12 113.36 1iru n MET 116 Ca 0.14 1.05 0.24 0.00 -1.81 0.00 0.00 57.70 57.32 1iru n MET 116 Cb 0.52 -1.54 0.56 0.00 -0.71 0.00 0.00 33.22 32.05 1iru n MET 116 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1iru h GLY 117 N 0.00 0.89 0.00 3.03 0.00 -1.91 -3.45 103.07 101.64 1iru h GLY 117 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1iru h GLY 117 CO -0.64 -0.08 0.00 0.61 0.00 0.00 0.00 176.54 176.43 1iru n GLY 118 N -1.54 0.94 3.76 4.60 0.00 -0.46 -4.55 105.19 107.95 1iru n GLY 118 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1iru n GLY 118 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1iru s MET 119 N -0.34 1.84 -0.02 1.61 0.23 -1.26 -4.39 119.30 116.98 1iru s MET 119 Ca 0.00 0.82 0.00 0.00 -1.03 0.00 0.00 55.69 55.48 1iru s MET 119 Cb 0.00 -1.88 0.02 0.00 -1.53 0.00 0.00 34.83 31.45 1iru s MET 119 CO 0.00 -1.83 0.02 1.41 -2.03 0.00 0.00 175.02 172.58 1iru s MET 120 N -5.02 0.06 -0.07 3.16 1.75 -1.26 -3.81 119.30 114.12 1iru s MET 120 Ca 0.62 0.12 -0.09 0.00 -1.25 0.00 0.00 55.69 55.09 1iru s MET 120 Cb -0.16 -0.27 0.02 0.00 2.84 0.00 0.00 34.83 37.26 1iru s MET 120 CO 0.56 -0.13 0.23 0.54 -0.65 0.00 0.00 175.02 175.57 1iru s VAL 121 N 0.85 0.02 0.07 10.11 0.11 -0.62 -4.98 120.40 125.96 1iru s VAL 121 Ca -0.08 -0.16 -0.17 0.00 -2.93 0.00 0.00 61.98 58.65 1iru s VAL 121 Cb -0.11 -0.38 -0.06 0.00 -1.53 0.00 0.00 36.38 34.30 1iru s VAL 121 CO -0.02 -0.09 0.51 -0.60 -3.33 0.00 0.00 175.10 171.57 1iru s ARG 122 N -0.26 4.06 0.05 1.54 3.52 -1.26 -0.35 118.95 126.24 1iru s ARG 122 Ca -0.04 0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 56.10 1iru s ARG 122 Cb -0.03 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.18 1iru s ARG 122 CO 0.01 0.62 0.05 -0.65 -0.81 0.00 0.00 175.30 174.51 1iru s GLN 123 N -1.31 0.62 0.15 5.12 -0.21 -0.35 -4.96 119.66 118.71 1iru s GLN 123 Ca 0.29 -0.99 -0.16 0.00 0.02 0.00 0.00 55.36 54.53 1iru s GLN 123 Cb -0.18 0.23 0.01 0.00 1.00 0.00 0.00 33.01 34.08 1iru s GLN 123 CO 0.17 -0.14 1.77 0.77 -2.12 0.00 0.00 175.29 175.74 1iru h SER 124 N 3.35 0.49 -4.72 5.90 0.02 -1.95 -3.36 113.55 113.29 1iru h SER 124 Ca -0.33 -0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.44 1iru h SER 124 Cb 1.17 -0.12 -0.21 0.00 0.14 0.00 0.00 62.40 63.38 1iru h SER 124 CO 0.58 0.41 -0.21 0.72 -1.14 0.00 0.00 176.83 177.19 1iru s PHE 125 N -5.97 -0.31 0.11 3.45 -0.12 -1.26 -1.06 117.98 112.83 1iru s PHE 125 Ca -0.13 0.58 0.06 0.00 -0.05 0.00 0.00 56.93 57.38 1iru s PHE 125 Cb 0.11 0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.61 1iru s PHE 125 CO 0.73 -0.37 -0.14 0.00 -0.05 0.00 0.00 175.22 175.39 1iru s ALA 126 N -0.93 1.43 0.01 1.99 0.00 0.55 -4.97 121.76 119.84 1iru s ALA 126 Ca -0.10 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.63 1iru s ALA 126 Cb -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1iru s ALA 126 CO 0.04 0.11 -0.05 0.96 0.00 0.00 0.00 175.76 176.82 1iru s ILE 127 N -2.01 0.38 0.34 0.00 -4.36 -1.26 -0.90 121.20 113.38 1iru s ILE 127 Ca 0.07 -0.37 -0.01 0.00 -0.26 0.00 0.00 60.65 60.08 1iru s ILE 127 Cb -0.06 -0.35 -0.00 0.00 1.25 0.00 0.00 42.46 43.29 1iru s ILE 127 CO 0.03 -0.00 0.43 -0.83 0.24 0.00 0.00 174.94 174.80 1iru s GLY 128 N -0.41 1.65 0.00 6.27 0.00 -0.53 -4.98 107.32 109.32 1iru s GLY 128 Ca -0.01 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.08 1iru s GLY 128 CO -0.00 -1.10 0.00 0.61 0.00 0.00 0.00 173.10 172.61 1iru n GLY 129 N -0.57 -1.61 0.37 0.20 0.00 -1.26 -1.76 105.19 100.57 1iru n GLY 129 Ca 0.02 -1.55 -0.05 0.00 0.00 0.00 0.00 46.02 44.44 1iru n GLY 129 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iru h SER 130 N 0.00 -1.37 0.05 1.61 4.64 -1.81 -0.44 113.55 116.22 1iru h SER 130 Ca 0.00 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1iru h SER 130 Cb 0.00 0.67 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1iru h SER 130 CO 0.00 -0.31 0.00 1.23 -0.87 0.00 0.00 176.83 176.88 1iru h GLY 131 N -0.13 0.00 0.80 -0.77 0.00 -1.12 -3.09 103.07 98.76 1iru h GLY 131 Ca 0.24 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.71 1iru h GLY 131 CO -0.78 0.00 0.47 1.48 0.00 0.00 0.00 176.54 177.71 1iru h SER 132 N 0.00 0.34 -0.22 0.19 4.64 -1.20 -1.77 113.55 115.53 1iru h SER 132 Ca 0.00 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.40 1iru h SER 132 Cb 0.03 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1iru h SER 132 CO 0.00 0.19 0.16 0.28 -0.87 0.00 0.00 176.83 176.58 1iru h SER 133 N 0.37 0.00 0.81 4.97 0.02 -1.72 -1.68 113.55 116.32 1iru h SER 133 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1iru h SER 133 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1iru h SER 133 CO -0.09 0.00 -0.15 -1.22 -1.14 0.00 0.00 176.83 174.23 1iru n TYR 134 N -4.44 0.00 -1.16 3.45 4.02 -0.66 -3.92 117.16 114.43 1iru n TYR 134 Ca 0.02 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.99 1iru n TYR 134 Cb 0.30 -0.40 0.18 0.00 -0.02 0.00 0.00 39.34 39.40 1iru n TYR 134 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 1iru n ILE 135 N -1.46 2.08 0.19 -0.72 -5.35 -0.64 -4.74 119.36 108.74 1iru n ILE 135 Ca 0.07 -2.36 -0.09 0.00 -0.27 0.00 0.00 62.75 60.10 1iru n ILE 135 Cb 0.33 -0.25 -0.04 0.00 -1.74 0.00 0.00 39.64 37.94 1iru n ILE 135 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1iru h TYR 136 N 0.64 -0.52 -0.72 4.28 -1.99 -1.67 -1.89 116.97 115.10 1iru h TYR 136 Ca 0.02 -0.01 0.16 0.00 2.00 0.00 0.00 58.73 60.90 1iru h TYR 136 Cb 1.16 0.17 -0.11 0.00 2.00 0.00 0.00 36.73 39.95 1iru h TYR 136 CO 0.31 -0.32 0.12 0.78 -0.00 0.00 0.00 178.16 179.05 1iru h GLY 137 N -1.13 0.94 0.12 3.88 0.00 -1.87 0.32 103.07 105.34 1iru h GLY 137 Ca -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1iru h GLY 137 CO 0.09 -0.22 -0.16 -1.82 0.00 0.00 0.00 176.54 174.43 1iru h TYR 138 N 0.21 -0.45 -1.03 5.60 3.20 -1.85 -1.13 116.97 121.52 1iru h TYR 138 Ca 0.40 0.01 0.27 0.00 3.14 0.00 0.00 58.73 62.55 1iru h TYR 138 Cb 0.69 0.18 -0.07 0.00 1.54 0.00 0.00 36.73 39.07 1iru h TYR 138 CO -0.30 -0.20 0.69 0.28 -1.64 0.00 0.00 178.16 176.98 1iru h VAL 139 N -0.29 0.52 -0.03 1.81 2.07 -0.75 0.76 116.25 120.34 1iru h VAL 139 Ca -0.02 -0.09 -0.18 0.00 0.82 0.00 0.00 66.70 67.23 1iru h VAL 139 Cb 0.26 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1iru h VAL 139 CO -0.04 0.05 -0.78 0.44 0.02 0.00 0.00 177.57 177.26 1iru h ASP 140 N 0.27 0.29 0.76 0.57 3.32 0.05 -1.78 116.42 119.90 1iru h ASP 140 Ca 0.55 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1iru h ASP 140 Cb 1.64 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.10 1iru h ASP 140 CO -0.19 0.96 -0.59 0.00 -1.72 0.00 0.00 179.24 177.70 1iru n ALA 141 N -2.47 3.08 -0.11 3.45 0.00 -0.18 -4.37 120.51 119.91 1iru n ALA 141 Ca -0.03 -0.28 -0.16 0.00 0.00 0.00 0.00 53.44 52.98 1iru n ALA 141 Cb 0.74 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.92 1iru n ALA 141 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1iru n THR 142 N -1.93 1.29 -1.60 0.00 -1.04 0.08 -4.98 114.28 106.10 1iru n THR 142 Ca 0.04 -0.50 -0.52 0.00 -2.04 0.00 0.00 64.05 61.03 1iru n THR 142 Cb 0.41 -1.29 -0.06 0.00 -1.82 0.00 0.00 70.33 67.57 1iru n THR 142 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iru n TYR 143 N -3.15 1.60 -4.94 -1.42 9.36 -0.67 -4.96 117.16 112.97 1iru n TYR 143 Ca -0.40 0.60 -0.27 0.00 3.32 0.00 0.00 57.90 61.16 1iru n TYR 143 Cb 0.93 -2.35 -0.16 0.00 -0.63 0.00 0.00 39.34 37.12 1iru n TYR 143 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 1iru s ARG 144 N 0.65 1.70 0.06 2.98 3.52 -1.26 -5.01 118.95 121.59 1iru s ARG 144 Ca 0.85 -0.69 -0.29 0.00 -0.13 0.00 0.00 55.73 55.47 1iru s ARG 144 Cb -0.94 -1.58 -0.05 0.00 -1.56 0.00 0.00 34.95 30.83 1iru s ARG 144 CO 0.47 0.37 0.94 -2.00 -0.81 0.00 0.00 175.30 174.26 1iru s GLU 145 N -0.30 4.62 0.00 5.12 2.12 -1.26 -3.73 118.70 125.27 1iru s GLU 145 Ca 0.04 1.38 0.00 0.00 0.36 0.00 0.00 54.97 56.75 1iru s GLU 145 Cb -0.09 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.89 1iru s GLU 145 CO 0.00 0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.26 1iru n GLY 146 N 2.51 1.00 3.77 -1.50 0.00 -1.26 -5.09 105.19 104.61 1iru n GLY 146 Ca 0.03 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1iru n GLY 146 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iru s MET 147 N -0.33 1.85 0.24 1.61 -1.94 -1.24 -5.05 119.30 114.43 1iru s MET 147 Ca 0.00 0.81 0.06 0.00 -1.71 0.00 0.00 55.69 54.85 1iru s MET 147 Cb 0.00 -1.88 -0.03 0.00 2.01 0.00 0.00 34.83 34.93 1iru s MET 147 CO 0.00 -1.83 0.29 0.95 -0.01 0.00 0.00 175.02 174.42 1iru s THR 148 N -3.02 4.94 0.19 2.05 -4.23 -1.26 -4.62 115.64 109.69 1iru s THR 148 Ca 0.62 -1.13 0.11 0.00 -1.18 0.00 0.00 61.69 60.10 1iru s THR 148 Cb -0.16 -3.67 0.11 0.00 1.34 0.00 0.00 72.50 70.12 1iru s THR 148 CO 0.56 -0.32 1.21 0.50 -0.54 0.00 0.00 174.62 176.03 1iru h LYS 149 N 1.36 0.00 0.00 3.99 3.64 -1.96 0.33 116.57 123.93 1iru h LYS 149 Ca -0.50 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 58.60 1iru h LYS 149 Cb 1.23 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 1iru h LYS 149 CO 0.61 0.00 -1.66 0.39 -2.27 0.00 0.00 179.45 176.52 1iru n GLU 150 N -2.08 0.56 -0.07 1.90 -0.58 -1.26 -2.93 120.64 116.17 1iru n GLU 150 Ca -0.01 0.40 -0.07 0.00 -0.42 0.00 0.00 57.16 57.06 1iru n GLU 150 Cb 0.46 -1.60 -0.01 0.00 -0.57 0.00 0.00 31.44 29.73 1iru n GLU 150 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1iru h GLU 151 N -1.00 0.06 0.42 3.49 5.08 -1.23 -0.77 114.58 120.63 1iru h GLU 151 Ca -0.41 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1iru h GLU 151 Cb 1.30 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1iru h GLU 151 CO -0.25 0.04 -0.33 0.00 -1.00 0.00 0.00 179.01 177.48 1iru h LEU 153 N -0.74 0.00 0.07 0.00 5.85 -1.36 0.19 115.31 119.32 1iru h LEU 153 Ca -0.04 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.34 1iru h LEU 153 Cb 0.64 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1iru h LEU 153 CO -0.01 0.00 -1.92 1.67 -0.34 0.00 0.00 178.44 177.85 1iru n GLN 154 N -3.59 0.71 -0.33 1.25 -0.06 -0.32 -3.55 117.38 111.49 1iru n GLN 154 Ca 0.06 0.27 -0.03 0.00 -2.00 0.00 0.00 57.00 55.30 1iru n GLN 154 Cb 0.59 -1.73 0.12 0.00 -4.06 0.00 0.00 30.24 25.16 1iru n GLN 154 CO 0.00 0.00 0.00 0.35 -0.20 0.00 0.00 177.06 177.21 1iru h PHE 155 N 0.04 1.20 0.00 3.69 3.57 0.30 -1.52 116.94 124.23 1iru h PHE 155 Ca -0.38 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 60.93 1iru h PHE 155 Cb 2.03 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 40.35 1iru h PHE 155 CO 0.05 0.80 -0.86 1.79 -2.23 0.00 0.00 178.31 177.86 1iru h THR 156 N 1.26 1.58 -0.61 4.41 1.35 -1.31 -2.59 112.91 117.00 1iru h THR 156 Ca 0.33 -2.84 -0.01 0.00 -0.55 0.00 0.00 66.41 63.34 1iru h THR 156 Cb -0.04 2.55 -0.03 0.00 -1.73 0.00 0.00 68.15 68.90 1iru h THR 156 CO -0.06 0.81 0.32 0.00 -0.25 0.00 0.00 175.52 176.35 1iru h ALA 157 N 1.11 1.43 -0.01 6.62 0.00 -1.41 0.30 119.26 127.29 1iru h ALA 157 Ca -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1iru h ALA 157 Cb 1.50 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1iru h ALA 157 CO 0.12 0.47 -0.04 -0.91 0.00 0.00 0.00 179.25 178.89 1iru h ASN 158 N 0.85 0.05 -0.43 0.00 2.35 -1.24 -1.65 115.58 115.51 1iru h ASN 158 Ca 0.21 -0.67 0.06 0.00 -0.55 0.00 0.00 56.30 55.35 1iru h ASN 158 Cb 0.04 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.34 1iru h ASN 158 CO -0.03 0.71 0.14 0.00 -1.65 0.00 0.00 177.43 176.60 1iru h ALA 159 N 0.34 0.51 -0.17 -0.83 0.00 -1.14 0.20 119.26 118.17 1iru h ALA 159 Ca -0.00 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1iru h ALA 159 Cb 0.71 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1iru h ALA 159 CO 0.01 -0.25 -0.28 -0.07 0.00 0.00 0.00 179.25 178.66 1iru h LEU 160 N 0.31 0.32 0.01 0.00 3.38 -0.48 -1.50 115.31 117.36 1iru h LEU 160 Ca 0.20 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1iru h LEU 160 Cb 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1iru h LEU 160 CO -0.21 0.61 -0.01 0.00 0.09 0.00 0.00 178.44 178.92 1iru h ALA 161 N 1.42 -0.02 0.27 1.53 0.00 -0.20 -0.55 119.26 121.72 1iru h ALA 161 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1iru h ALA 161 Cb 0.65 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1iru h ALA 161 CO 0.05 -0.37 -0.29 -0.07 0.00 0.00 0.00 179.25 178.56 1iru h LEU 162 N -0.29 -0.79 -0.60 0.00 3.38 -0.52 -2.24 115.31 114.24 1iru h LEU 162 Ca -0.00 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.13 1iru h LEU 162 Cb 0.28 0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 1iru h LEU 162 CO 0.00 -0.42 0.25 0.00 0.09 0.00 0.00 178.44 178.36 1iru h ALA 163 N -0.01 0.78 0.00 1.53 0.00 -1.26 -0.77 119.26 119.53 1iru h ALA 163 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1iru h ALA 163 Cb 0.56 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1iru h ALA 163 CO -0.07 -0.16 -0.03 0.52 0.00 0.00 0.00 179.25 179.52 1iru h MET 164 N 0.45 0.00 -0.28 0.00 2.86 -0.87 -0.81 114.93 116.26 1iru h MET 164 Ca 0.30 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.84 1iru h MET 164 Cb 0.33 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1iru h MET 164 CO -0.28 0.03 -0.19 1.49 1.06 0.00 0.00 176.91 179.02 1iru h GLU 165 N 0.00 0.63 0.00 1.72 4.57 -0.53 -3.35 114.58 117.62 1iru h GLU 165 Ca -0.00 -0.30 -0.20 0.00 -1.18 0.00 0.00 59.36 57.67 1iru h GLU 165 Cb 0.05 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 1iru h GLU 165 CO 0.00 0.89 -1.65 0.54 -1.18 0.00 0.00 179.01 177.62 1iru n ARG 166 N -4.36 0.64 -3.43 1.92 5.12 -0.96 -4.90 116.66 110.68 1iru n ARG 166 Ca -0.04 0.17 -0.38 0.00 -1.93 0.00 0.00 57.85 55.67 1iru n ARG 166 Cb 0.41 -1.74 -0.08 0.00 -1.16 0.00 0.00 32.46 29.88 1iru n ARG 166 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1iru s ASP 167 N -5.69 6.31 0.35 0.55 2.15 -0.35 -4.94 116.67 115.06 1iru s ASP 167 Ca -0.05 0.36 0.07 0.00 0.43 0.00 0.00 52.55 53.37 1iru s ASP 167 Cb 0.09 -2.20 0.67 0.00 -0.30 0.00 0.00 42.92 41.17 1iru s ASP 167 CO 0.82 -0.10 1.86 1.23 -0.17 0.00 0.00 175.17 178.82 1iru h GLY 168 N 8.03 0.36 0.81 2.66 0.00 -1.89 -1.94 103.07 111.09 1iru h GLY 168 Ca -0.34 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1iru h GLY 168 CO 0.68 0.22 0.00 1.44 0.00 0.00 0.00 176.54 178.87 1iru n SER 169 N -4.23 0.00 -4.13 0.19 7.64 -1.26 -4.73 113.62 107.09 1iru n SER 169 Ca -0.00 -0.93 -0.17 0.00 1.01 0.00 0.00 58.87 58.77 1iru n SER 169 Cb 0.30 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.37 1iru n SER 169 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1iru s SER 170 N -1.85 1.45 0.00 6.43 0.01 -0.73 0.06 113.70 119.07 1iru s SER 170 Ca 0.30 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1iru s SER 170 Cb 0.14 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1iru s SER 170 CO 0.23 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1iru n GLY 171 N 1.52 -0.92 3.73 3.44 0.00 -1.26 -4.72 105.19 106.98 1iru n GLY 171 Ca -0.21 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1iru n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iru n GLY 172 N 0.00 0.63 3.57 -0.02 0.00 -1.26 -2.07 105.19 106.03 1iru n GLY 172 Ca 0.00 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 1iru n GLY 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iru s VAL 173 N 0.00 3.29 -0.29 1.61 0.11 -1.26 -4.87 120.40 118.99 1iru s VAL 173 Ca 0.00 -1.43 -0.17 0.00 -2.93 0.00 0.00 61.98 57.45 1iru s VAL 173 Cb 0.00 -2.58 -0.02 0.00 -1.53 0.00 0.00 36.38 32.25 1iru s VAL 173 CO 0.00 0.02 0.47 -0.63 -3.33 0.00 0.00 175.10 171.63 1iru s ILE 174 N -1.41 5.09 -0.12 7.04 1.01 -1.17 -2.65 121.20 128.99 1iru s ILE 174 Ca 0.23 0.62 -0.08 0.00 0.00 0.00 0.00 60.65 61.42 1iru s ILE 174 Cb -0.10 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1iru s ILE 174 CO 0.14 0.02 0.16 -0.13 0.00 0.00 0.00 174.94 175.13 1iru s ARG 175 N 2.26 3.49 0.32 2.79 0.52 -0.57 -0.99 118.95 126.77 1iru s ARG 175 Ca 0.18 -0.10 0.03 0.00 -0.52 0.00 0.00 55.73 55.33 1iru s ARG 175 Cb -0.16 -3.20 -0.06 0.00 0.52 0.00 0.00 34.95 32.05 1iru s ARG 175 CO 0.11 0.76 0.07 -0.51 0.02 0.00 0.00 175.30 175.74 1iru s LEU 176 N -0.98 2.10 -0.29 2.53 1.43 -0.33 -2.48 118.68 120.66 1iru s LEU 176 Ca 0.15 -1.39 -0.19 0.00 -1.03 0.00 0.00 54.13 51.67 1iru s LEU 176 Cb -0.12 -0.32 0.14 0.00 0.03 0.00 0.00 46.19 45.92 1iru s LEU 176 CO 0.04 -0.64 1.02 0.00 0.23 0.00 0.00 176.35 177.01 1iru s ALA 177 N -3.35 -2.20 -0.06 4.21 0.00 -0.75 -2.45 121.76 117.15 1iru s ALA 177 Ca 0.36 2.08 0.05 0.00 0.00 0.00 0.00 51.96 54.46 1iru s ALA 177 Cb 0.08 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 1iru s ALA 177 CO 0.15 -0.30 -0.23 0.00 0.00 0.00 0.00 175.76 175.37 1iru s ALA 178 N 0.97 2.23 -0.06 0.00 0.00 -0.73 0.03 121.76 124.20 1iru s ALA 178 Ca -0.05 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.92 1iru s ALA 178 Cb -0.04 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.35 1iru s ALA 178 CO -0.12 0.41 -0.16 0.42 0.00 0.00 0.00 175.76 176.30 1iru s ILE 179 N -0.15 1.41 0.22 0.00 1.01 0.98 -2.09 121.20 122.58 1iru s ILE 179 Ca -0.04 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.78 1iru s ILE 179 Cb -0.14 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 41.11 1iru s ILE 179 CO 0.04 0.41 0.52 0.00 0.00 0.00 0.00 174.94 175.91 1iru s ALA 180 N 0.32 -0.75 0.23 9.38 0.00 -0.83 0.50 121.76 130.61 1iru s ALA 180 Ca -0.10 -0.44 -0.07 0.00 0.00 0.00 0.00 51.96 51.35 1iru s ALA 180 Cb -0.14 0.90 0.38 0.00 0.00 0.00 0.00 23.12 24.26 1iru s ALA 180 CO 0.04 -0.84 1.31 -1.91 0.00 0.00 0.00 175.76 174.36 1iru n GLU 181 N -0.36 -0.08 -0.26 0.00 2.13 -1.23 0.33 120.64 121.16 1iru n GLU 181 Ca -0.07 1.31 0.23 0.00 0.66 0.00 0.00 57.16 59.29 1iru n GLU 181 Cb 0.62 -1.95 0.56 0.00 0.27 0.00 0.00 31.44 30.93 1iru n GLU 181 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1iru h SER 182 N 0.00 0.33 0.00 4.31 0.02 -1.96 -3.47 113.55 112.77 1iru h SER 182 Ca 0.40 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1iru h SER 182 Cb 0.61 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1iru h SER 182 CO -0.86 0.11 0.00 0.61 -1.14 0.00 0.00 176.83 175.54 1iru n GLY 183 N -1.55 0.25 3.01 -3.77 0.00 0.15 -5.11 105.19 98.17 1iru n GLY 183 Ca 0.21 -1.42 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 1iru n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 184 N -3.36 1.24 -0.20 1.61 1.01 -1.26 -1.97 120.40 117.47 1iru s VAL 184 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1iru s VAL 184 Cb 0.00 -1.16 0.03 0.00 0.00 0.00 0.00 36.38 35.25 1iru s VAL 184 CO 0.00 0.39 -0.18 -1.83 0.00 0.00 0.00 175.10 173.48 1iru s GLU 185 N 1.03 2.87 -0.17 2.72 -1.05 -0.89 -4.99 118.70 118.22 1iru s GLU 185 Ca -0.07 -0.92 -0.05 0.00 -0.15 0.00 0.00 54.97 53.78 1iru s GLU 185 Cb -0.15 -2.64 -0.03 0.00 -0.44 0.00 0.00 34.13 30.88 1iru s GLU 185 CO -0.01 -0.27 -0.01 1.03 0.95 0.00 0.00 175.26 176.95 1iru s ARG 186 N 1.26 3.74 0.35 -4.83 0.52 -1.26 -1.78 118.95 116.95 1iru s ARG 186 Ca 0.03 -0.48 0.04 0.00 -0.52 0.00 0.00 55.73 54.80 1iru s ARG 186 Cb -0.14 -3.02 -0.06 0.00 0.52 0.00 0.00 34.95 32.25 1iru s ARG 186 CO -0.11 0.21 0.06 1.14 0.02 0.00 0.00 175.30 176.62 1iru s GLN 187 N 0.48 1.75 0.05 3.54 -2.07 -1.02 -4.98 119.66 117.40 1iru s GLN 187 Ca -0.01 -1.99 0.04 0.00 -1.82 0.00 0.00 55.36 51.57 1iru s GLN 187 Cb -0.14 -0.95 -0.03 0.00 -1.09 0.00 0.00 33.01 30.81 1iru s GLN 187 CO 0.02 -0.22 -0.11 0.08 -1.32 0.00 0.00 175.29 173.74 1iru s VAL 188 N -3.20 0.82 -0.43 3.63 1.01 -1.26 -1.18 120.40 119.78 1iru s VAL 188 Ca 0.33 -1.13 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1iru s VAL 188 Cb 0.08 -0.82 0.12 0.00 0.00 0.00 0.00 36.38 35.75 1iru s VAL 188 CO 0.15 -0.26 0.17 -0.76 0.00 0.00 0.00 175.10 174.40 1iru s LEU 189 N -1.54 4.64 0.73 3.92 1.43 -0.16 -5.00 118.68 122.69 1iru s LEU 189 Ca -0.05 -2.54 -0.10 0.00 -1.03 0.00 0.00 54.13 50.41 1iru s LEU 189 Cb -0.09 -1.66 0.05 0.00 0.03 0.00 0.00 46.19 44.52 1iru s LEU 189 CO 0.01 -0.33 1.08 -0.76 0.23 0.00 0.00 176.35 176.59 1iru s LEU 190 N 0.37 2.78 0.00 1.79 1.43 -1.26 -3.06 118.68 120.72 1iru s LEU 190 Ca 0.14 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 1iru s LEU 190 Cb -0.22 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1iru s LEU 190 CO -0.04 -1.58 0.00 0.61 0.23 0.00 0.00 176.35 175.57 1iru n GLY 191 N -3.05 0.00 0.33 -3.19 0.00 -1.26 -0.02 105.19 98.00 1iru n GLY 191 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1iru n GLY 191 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iru h ASP 192 N 0.00 0.12 0.12 1.61 3.32 -2.00 -1.17 116.42 118.42 1iru h ASP 192 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1iru h ASP 192 Cb 0.00 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1iru h ASP 192 CO 0.00 0.07 -0.03 1.56 -1.72 0.00 0.00 179.24 179.13 1iru h GLN 193 N 0.13 0.00 -6.25 3.56 4.20 -0.76 -3.42 115.11 112.58 1iru h GLN 193 Ca 0.17 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.33 1iru h GLN 193 Cb 0.52 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1iru h GLN 193 CO -0.02 0.03 0.89 0.42 -0.67 0.00 0.00 178.83 179.48 1iru s ILE 194 N -4.37 4.01 0.49 2.54 1.01 -0.44 -4.91 121.20 119.51 1iru s ILE 194 Ca -0.04 1.28 -0.19 0.00 0.00 0.00 0.00 60.65 61.70 1iru s ILE 194 Cb 0.14 -3.82 -0.13 0.00 0.01 0.00 0.00 42.46 38.65 1iru s ILE 194 CO 0.52 -0.07 0.18 -2.65 0.00 0.00 0.00 174.94 172.91 1iru n PRO 195 N 6.22 0.21 -4.26 2.79 -0.02 -1.26 -4.97 135.00 133.71 1iru n PRO 195 Ca 0.14 0.08 -0.19 0.00 -2.02 0.00 0.00 63.50 61.51 1iru n PRO 195 Cb 0.44 -1.25 -0.11 0.00 -0.02 0.00 0.00 33.50 32.56 1iru n PRO 195 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1iru s LYS 196 N -1.36 1.07 -0.04 -0.52 1.02 -1.26 -4.94 119.74 113.72 1iru s LYS 196 Ca 0.61 -1.27 -0.01 0.00 0.02 0.00 0.00 55.97 55.32 1iru s LYS 196 Cb -0.52 -0.99 0.03 0.00 -0.52 0.00 0.00 37.83 35.83 1iru s LYS 196 CO 0.61 0.19 0.06 -0.06 -0.92 0.00 0.00 175.35 175.24 1iru s PHE 197 N -2.13 0.00 0.18 3.18 0.40 -1.26 -5.13 117.98 113.22 1iru s PHE 197 Ca 0.10 0.25 -0.32 0.00 -0.60 0.00 0.00 56.93 56.36 1iru s PHE 197 Cb -0.05 -0.30 -0.11 0.00 0.51 0.00 0.00 43.02 43.07 1iru s PHE 197 CO 0.04 -0.14 1.70 0.00 0.70 0.00 0.00 175.22 177.51 1iru s ALA 198 N 1.53 3.86 -0.16 5.36 0.00 -1.26 -4.94 121.76 126.15 1iru s ALA 198 Ca -0.04 1.49 -0.29 0.00 0.00 0.00 0.00 51.96 53.13 1iru s ALA 198 Cb -0.12 -3.69 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 1iru s ALA 198 CO -0.04 -0.94 1.46 0.08 0.00 0.00 0.00 175.76 176.32 1iru s VAL 199 N 1.48 3.94 0.11 0.00 1.01 -1.26 -4.93 120.40 120.75 1iru s VAL 199 Ca 0.74 1.11 -0.35 0.00 0.00 0.00 0.00 61.98 63.48 1iru s VAL 199 Cb -0.47 -3.80 -0.18 0.00 0.00 0.00 0.00 36.38 31.93 1iru s VAL 199 CO 0.32 -0.19 1.03 0.00 0.00 0.00 0.00 175.10 176.26 1iru n ALA 200 N 7.29 -2.24 -3.00 5.51 0.00 -1.26 -4.99 120.51 121.81 1iru n ALA 200 Ca 0.16 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1iru n ALA 200 Cb 0.45 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1iru n ALA 200 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iru n THR 201 N 1.33 0.00 1.31 0.00 -2.24 -1.26 -5.33 114.28 108.09 1iru n THR 201 Ca 0.18 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.06 1iru n THR 201 Cb 0.18 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 69.03 1iru n THR 201 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39