#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iru s TYR 3 N 0.00 2.70 -2.32 7.33 5.04 -1.26 -4.91 117.35 123.92 1iru s TYR 3 Ca 0.00 0.82 0.20 0.00 -2.44 0.00 0.00 57.07 55.64 1iru s TYR 3 Cb 0.00 -4.13 0.23 0.00 0.35 0.00 0.00 41.96 38.40 1iru s TYR 3 CO 0.00 -1.55 1.18 -0.25 -1.34 0.00 0.00 175.55 173.60 1iru n ASP 4 N 7.92 2.82 -4.50 4.32 8.00 -1.26 -3.54 116.55 130.32 1iru n ASP 4 Ca 0.14 -1.85 -0.41 0.00 0.71 0.00 0.00 54.79 53.38 1iru n ASP 4 Cb 0.48 -0.07 0.02 0.00 -0.02 0.00 0.00 41.12 41.52 1iru n ASP 4 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1iru n ARG 5 N 1.14 0.76 -3.03 -1.24 3.00 -1.26 -4.13 116.66 111.90 1iru n ARG 5 Ca 0.13 0.28 -0.42 0.00 -0.00 0.00 0.00 57.85 57.84 1iru n ARG 5 Cb 0.51 -1.69 -0.06 0.00 0.00 0.00 0.00 32.46 31.21 1iru n ARG 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1iru s ALA 6 N -1.46 3.41 -0.10 5.13 0.00 -1.26 0.65 121.76 128.13 1iru s ALA 6 Ca 0.65 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 51.59 1iru s ALA 6 Cb -0.56 -3.30 -0.28 0.00 0.00 0.00 0.00 23.12 18.98 1iru s ALA 6 CO 0.57 -1.53 0.63 0.82 0.00 0.00 0.00 175.76 176.25 1iru h ILE 7 N 5.77 1.17 -3.68 0.00 1.08 -1.82 -3.44 117.51 116.59 1iru h ILE 7 Ca -0.25 -2.42 -0.66 0.00 -0.39 0.00 0.00 64.86 61.13 1iru h ILE 7 Cb 1.10 2.84 -0.22 0.00 -3.07 0.00 0.00 36.82 37.47 1iru h ILE 7 CO 0.89 0.68 -0.57 -0.89 -0.69 0.00 0.00 178.15 177.57 1iru s THR 8 N -2.45 4.59 0.13 -0.27 2.01 -1.26 -4.82 115.64 113.58 1iru s THR 8 Ca -0.19 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.57 1iru s THR 8 Cb 0.03 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 1iru s THR 8 CO 0.77 0.18 -0.05 0.68 -0.69 0.00 0.00 174.62 175.51 1iru s VAL 9 N 1.63 0.79 0.53 3.82 -7.23 -1.26 -4.84 120.40 113.84 1iru s VAL 9 Ca 0.05 -1.98 -0.17 0.00 -1.81 0.00 0.00 61.98 58.07 1iru s VAL 9 Cb -0.16 -1.85 -0.07 0.00 0.56 0.00 0.00 36.38 34.86 1iru s VAL 9 CO 0.06 -0.73 1.02 -0.36 -0.31 0.00 0.00 175.10 174.78 1iru s PHE 10 N -3.57 3.16 0.38 2.82 0.40 -1.26 -4.30 117.98 115.62 1iru s PHE 10 Ca 0.16 1.52 0.08 0.00 -0.60 0.00 0.00 56.93 58.09 1iru s PHE 10 Cb 0.05 -2.94 -0.06 0.00 0.51 0.00 0.00 43.02 40.58 1iru s PHE 10 CO -0.01 -0.73 0.07 -1.12 0.70 0.00 0.00 175.22 174.13 1iru s SER 11 N -2.64 4.19 0.23 1.36 0.01 -0.12 -4.90 113.70 111.82 1iru s SER 11 Ca 0.63 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1iru s SER 11 Cb -0.14 -0.48 0.53 0.00 0.21 0.00 0.00 66.02 66.15 1iru s SER 11 CO 0.29 -0.40 1.15 -2.65 0.41 0.00 0.00 173.24 172.04 1iru n PRO 12 N -1.06 -0.06 -0.10 12.44 -0.02 -1.26 0.51 135.00 145.46 1iru n PRO 12 Ca -0.03 1.11 0.11 0.00 -2.02 0.00 0.00 63.50 62.67 1iru n PRO 12 Cb 0.64 -1.75 0.33 0.00 -0.02 0.00 0.00 33.50 32.70 1iru n PRO 12 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1iru n ASP 13 N -5.05 2.16 -0.08 2.55 3.85 -1.26 -4.93 116.55 113.80 1iru n ASP 13 Ca 0.17 -1.78 0.00 0.00 -0.71 0.00 0.00 54.79 52.46 1iru n ASP 13 Cb 0.54 -0.13 0.00 0.00 -1.35 0.00 0.00 41.12 40.18 1iru n ASP 13 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iru n GLY 14 N 1.23 1.23 3.69 6.12 0.00 0.18 -5.10 105.19 112.54 1iru n GLY 14 Ca 0.17 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 1iru n GLY 14 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1iru s HIS 15 N -2.15 2.91 -0.84 1.61 3.76 -1.24 -4.80 115.29 114.53 1iru s HIS 15 Ca 0.00 -0.11 0.01 0.00 -0.15 0.00 0.00 55.06 54.81 1iru s HIS 15 Cb 0.00 -1.42 0.21 0.00 1.11 0.00 0.00 32.58 32.48 1iru s HIS 15 CO 0.00 0.51 0.70 1.28 -0.85 0.00 0.00 174.74 176.38 1iru n LEU 16 N -0.06 3.84 -0.26 0.89 4.77 -1.26 -0.94 117.00 123.97 1iru n LEU 16 Ca -0.10 -5.17 0.07 0.00 -0.03 0.00 0.00 56.01 50.79 1iru n LEU 16 Cb 0.55 -0.98 0.19 0.00 -2.33 0.00 0.00 43.42 40.84 1iru n LEU 16 CO 0.39 1.64 0.87 -0.26 -1.33 0.00 0.00 177.39 178.70 1iru h PHE 17 N 5.75 0.11 -0.18 -1.77 -1.00 -1.97 0.28 116.94 118.16 1iru h PHE 17 Ca 0.16 0.05 0.05 0.00 2.81 0.00 0.00 57.97 61.04 1iru h PHE 17 Cb 0.79 0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.41 1iru h PHE 17 CO 0.71 -0.20 0.23 1.96 -1.61 0.00 0.00 178.31 179.40 1iru h GLN 18 N 0.16 0.00 0.08 1.51 1.08 -1.88 0.86 115.11 116.92 1iru h GLN 18 Ca 0.44 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.46 1iru h GLN 18 Cb 0.81 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1iru h GLN 18 CO -0.63 0.00 -0.93 0.28 -0.95 0.00 0.00 178.83 176.60 1iru h VAL 19 N 0.00 1.30 -0.15 -0.54 2.07 -0.89 -2.62 116.25 115.41 1iru h VAL 19 Ca 0.09 -2.38 -0.01 0.00 0.82 0.00 0.00 66.70 65.21 1iru h VAL 19 Cb 0.55 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1iru h VAL 19 CO -0.00 0.62 0.03 -0.33 0.02 0.00 0.00 177.57 177.91 1iru h GLU 20 N -0.59 0.21 -0.15 1.57 5.08 -0.16 0.20 114.58 120.73 1iru h GLU 20 Ca -0.21 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 57.91 1iru h GLU 20 Cb 1.48 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.70 1iru h GLU 20 CO 0.02 0.20 -0.77 1.88 -1.00 0.00 0.00 179.01 179.35 1iru h TYR 21 N 0.21 1.02 -0.36 4.33 0.99 0.57 -1.99 116.97 121.74 1iru h TYR 21 Ca 0.05 -0.45 0.00 0.00 2.00 0.00 0.00 58.73 60.34 1iru h TYR 21 Cb 0.10 -0.16 -0.02 0.00 1.00 0.00 0.00 36.73 37.65 1iru h TYR 21 CO 0.00 1.27 0.24 0.00 -0.00 0.00 0.00 178.16 179.67 1iru h ALA 22 N 0.61 0.46 -0.25 3.88 0.00 -0.79 -0.36 119.26 122.80 1iru h ALA 22 Ca -0.05 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1iru h ALA 22 Cb 1.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1iru h ALA 22 CO 0.16 -0.08 0.18 1.96 0.00 0.00 0.00 179.25 181.47 1iru h GLN 23 N 0.49 0.01 -0.34 0.00 4.20 -0.53 -0.25 115.11 118.68 1iru h GLN 23 Ca 0.13 -0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.69 1iru h GLN 23 Cb -0.05 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 1iru h GLN 23 CO -0.03 0.01 -0.40 0.93 -0.67 0.00 0.00 178.83 178.67 1iru h GLU 24 N 0.01 0.87 -0.33 1.46 4.39 -0.31 -2.52 114.58 118.15 1iru h GLU 24 Ca 0.12 -0.48 -0.02 0.00 0.34 0.00 0.00 59.36 59.32 1iru h GLU 24 Cb 0.47 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1iru h GLU 24 CO -0.00 1.12 0.11 0.00 -1.16 0.00 0.00 179.01 179.08 1iru h ALA 25 N 0.73 1.59 -0.58 3.43 0.00 -0.25 -0.91 119.26 123.26 1iru h ALA 25 Ca 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1iru h ALA 25 Cb 0.99 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1iru h ALA 25 CO 0.10 0.32 0.23 0.28 0.00 0.00 0.00 179.25 180.18 1iru h VAL 26 N 0.46 1.23 -0.63 0.00 2.07 -1.17 -2.77 116.25 115.44 1iru h VAL 26 Ca 0.11 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 66.96 1iru h VAL 26 Cb 0.13 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1iru h VAL 26 CO -0.01 0.27 0.38 0.11 0.02 0.00 0.00 177.57 178.35 1iru h LYS 27 N 0.81 0.72 -0.46 1.57 1.57 -0.76 -1.19 116.57 118.83 1iru h LYS 27 Ca 0.19 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1iru h LYS 27 Cb 0.20 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1iru h LYS 27 CO -0.02 0.48 0.00 1.63 -0.57 0.00 0.00 179.45 180.97 1iru n LYS 28 N -4.73 0.67 -4.09 3.15 5.02 -0.81 -1.90 118.16 115.48 1iru n LYS 28 Ca 0.06 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.13 1iru n LYS 28 Cb 0.10 -1.23 -0.04 0.00 -0.02 0.00 0.00 35.03 33.84 1iru n LYS 28 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1iru s GLY 29 N -0.64 1.40 0.00 0.72 0.00 -0.45 -4.87 107.32 103.48 1iru s GLY 29 Ca 0.00 -1.37 -0.33 0.00 0.00 0.00 0.00 44.72 43.02 1iru s GLY 29 CO 0.00 -1.41 1.86 1.44 0.00 0.00 0.00 173.10 175.00 1iru n SER 30 N -1.16 3.67 -4.28 1.64 7.64 -1.26 0.16 113.62 120.03 1iru n SER 30 Ca -0.08 0.97 -0.36 0.00 1.01 0.00 0.00 58.87 60.41 1iru n SER 30 Cb 0.57 -1.44 0.05 0.00 -1.01 0.00 0.00 64.21 62.39 1iru n SER 30 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1iru n THR 31 N 4.96 0.65 -3.66 0.44 -1.04 -1.26 -4.58 114.28 109.80 1iru n THR 31 Ca 0.21 -0.42 -0.06 0.00 -2.04 0.00 0.00 64.05 61.73 1iru n THR 31 Cb 0.33 -0.35 -0.08 0.00 -1.82 0.00 0.00 70.33 68.42 1iru n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iru s ALA 32 N -2.02 -1.55 0.24 2.41 0.00 0.30 -0.65 121.76 120.48 1iru s ALA 32 Ca 0.55 1.97 0.11 0.00 0.00 0.00 0.00 51.96 54.59 1iru s ALA 32 Cb -0.32 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.36 1iru s ALA 32 CO 0.68 -0.61 -0.21 0.14 0.00 0.00 0.00 175.76 175.76 1iru s VAL 33 N 2.20 2.34 -0.11 0.00 -7.23 -0.93 -0.35 120.40 116.31 1iru s VAL 33 Ca -0.07 -2.24 -0.10 0.00 -1.81 0.00 0.00 61.98 57.77 1iru s VAL 33 Cb -0.10 -2.19 0.03 0.00 0.56 0.00 0.00 36.38 34.68 1iru s VAL 33 CO -0.16 -0.31 0.30 -0.83 -0.31 0.00 0.00 175.10 173.78 1iru s GLY 34 N -3.16 -0.22 -0.02 2.32 0.00 0.13 -2.31 107.32 104.06 1iru s GLY 34 Ca 0.25 0.87 0.04 0.00 0.00 0.00 0.00 44.72 45.88 1iru s GLY 34 CO 0.12 0.77 -0.13 -1.34 0.00 0.00 0.00 173.10 172.52 1iru s VAL 35 N 0.23 1.04 -0.39 1.40 -7.23 -0.75 0.00 120.40 114.69 1iru s VAL 35 Ca -0.01 -0.53 -0.14 0.00 -1.81 0.00 0.00 61.98 59.50 1iru s VAL 35 Cb -0.03 -0.89 0.02 0.00 0.56 0.00 0.00 36.38 36.04 1iru s VAL 35 CO -0.00 0.30 0.27 -0.60 -0.31 0.00 0.00 175.10 174.76 1iru s ARG 36 N -0.07 3.03 0.00 4.82 3.52 -0.36 -2.00 118.95 127.89 1iru s ARG 36 Ca 0.01 -0.97 0.00 0.00 -0.13 0.00 0.00 55.73 54.63 1iru s ARG 36 Cb -0.08 -3.91 0.00 0.00 -1.56 0.00 0.00 34.95 29.41 1iru s ARG 36 CO 0.00 -0.69 0.00 0.41 -0.81 0.00 0.00 175.30 174.21 1iru n GLY 37 N 5.12 1.45 0.00 8.12 0.00 -1.23 -4.95 105.19 113.70 1iru n GLY 37 Ca -0.11 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1iru n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iru n ARG 38 N 0.00 2.77 0.00 1.61 1.74 -1.26 -4.80 116.66 116.72 1iru n ARG 38 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1iru n ARG 38 Cb 0.00 -0.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 1iru n ARG 38 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1iru n ASP 39 N -0.87 1.30 -3.62 0.55 8.00 -1.26 -4.84 116.55 115.80 1iru n ASP 39 Ca 0.00 -0.16 -0.03 0.00 0.71 0.00 0.00 54.79 55.31 1iru n ASP 39 Cb 0.00 0.59 -0.05 0.00 -0.02 0.00 0.00 41.12 41.63 1iru n ASP 39 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1iru s ILE 40 N -0.85 -0.50 -0.05 0.53 -1.09 -1.26 -2.68 121.20 115.30 1iru s ILE 40 Ca 0.00 0.00 -0.11 0.00 -2.23 0.00 0.00 60.65 58.31 1iru s ILE 40 Cb 0.00 -1.00 -0.05 0.00 -1.58 0.00 0.00 42.46 39.83 1iru s ILE 40 CO 0.00 0.00 0.28 -0.69 -1.23 0.00 0.00 174.94 173.30 1iru s VAL 41 N 2.27 5.26 0.25 2.92 1.01 -1.20 -3.54 120.40 127.36 1iru s VAL 41 Ca -0.07 0.51 0.12 0.00 0.00 0.00 0.00 61.98 62.54 1iru s VAL 41 Cb -0.08 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1iru s VAL 41 CO -0.19 0.57 -0.21 0.54 0.00 0.00 0.00 175.10 175.82 1iru s VAL 42 N -1.08 2.47 -0.14 2.92 0.11 -0.85 -2.95 120.40 120.87 1iru s VAL 42 Ca 0.21 -2.27 -0.15 0.00 -2.93 0.00 0.00 61.98 56.83 1iru s VAL 42 Cb -0.14 -2.26 0.04 0.00 -1.53 0.00 0.00 36.38 32.49 1iru s VAL 42 CO 0.10 -0.30 0.42 -0.76 -3.33 0.00 0.00 175.10 171.23 1iru s LEU 43 N -3.23 0.38 -0.02 2.54 1.02 -0.98 -1.82 118.68 116.57 1iru s LEU 43 Ca 0.27 0.78 -0.02 0.00 0.02 0.00 0.00 54.13 55.19 1iru s LEU 43 Cb -0.06 1.48 0.01 0.00 0.02 0.00 0.00 46.19 47.64 1iru s LEU 43 CO 0.13 -0.19 0.05 -0.83 0.02 0.00 0.00 176.35 175.53 1iru s GLY 44 N 0.03 -0.03 -0.34 -3.19 0.00 -0.98 -1.96 107.32 100.85 1iru s GLY 44 Ca -0.02 0.16 -0.10 0.00 0.00 0.00 0.00 44.72 44.76 1iru s GLY 44 CO 0.01 0.17 0.18 0.54 0.00 0.00 0.00 173.10 174.00 1iru s VAL 45 N 0.12 4.56 0.00 1.40 0.11 -1.24 -2.20 120.40 123.16 1iru s VAL 45 Ca -0.01 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.38 1iru s VAL 45 Cb -0.01 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.39 1iru s VAL 45 CO -0.00 -0.09 0.00 -1.84 -3.33 0.00 0.00 175.10 169.84 1iru n GLU 46 N 4.99 1.62 0.00 1.54 0.00 0.17 -3.47 120.64 125.49 1iru n GLU 46 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.03 1iru n GLU 46 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.91 1iru n GLU 46 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1iru n LYS 47 N 0.00 0.00 0.00 3.44 0.00 -1.25 -4.65 118.16 115.69 1iru n LYS 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1iru n LYS 47 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1iru n LYS 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1iru n LYS 48 N 0.00 0.86 -3.58 -1.58 5.02 -0.19 -4.79 118.16 113.90 1iru n LYS 48 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1iru n LYS 48 Cb 0.00 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1iru n LYS 48 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1iru n SER 49 N -0.29 -1.30 -4.50 4.39 3.41 -1.26 -4.62 113.62 109.45 1iru n SER 49 Ca 0.00 -0.37 -0.14 0.00 -0.26 0.00 0.00 58.87 58.09 1iru n SER 49 Cb 0.08 -0.48 -0.11 0.00 -0.26 0.00 0.00 64.21 63.44 1iru n SER 49 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1iru n VAL 50 N -1.90 0.00 1.13 -3.33 0.31 -1.26 -4.68 118.33 108.61 1iru n VAL 50 Ca -0.05 -0.03 0.08 0.00 -0.01 0.00 0.00 64.34 64.33 1iru n VAL 50 Cb 0.18 -1.88 0.49 0.00 -0.91 0.00 0.00 33.84 31.72 1iru n VAL 50 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1iru n ALA 51 N 18.72 2.17 0.00 3.52 0.00 -1.26 -4.85 120.51 138.81 1iru n ALA 51 Ca 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1iru n ALA 51 Cb 0.47 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1iru n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1iru n LYS 52 N -0.95 0.00 0.00 0.00 4.76 -1.26 -3.98 118.16 116.72 1iru n LYS 52 Ca 0.12 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.64 1iru n LYS 52 Cb 0.06 -0.26 0.40 0.00 -1.84 0.00 0.00 35.03 33.39 1iru n LYS 52 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1iru n LEU 53 N 0.00 0.00 0.00 -0.35 7.99 -1.26 -4.63 117.00 118.75 1iru n LEU 53 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 56.01 56.25 1iru n LEU 53 Cb 0.00 -0.25 0.00 0.00 -0.11 0.00 0.00 43.42 43.06 1iru n LEU 53 CO 0.00 -0.12 0.00 0.00 -1.51 0.00 0.00 177.39 175.76 1iru n GLN 54 N -1.25 3.24 -2.93 3.23 -0.00 -1.26 -5.09 117.38 113.32 1iru n GLN 54 Ca 0.08 0.00 0.01 0.00 -0.00 0.00 0.00 57.00 57.09 1iru n GLN 54 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.36 1iru n GLN 54 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1iru s ASP 55 N -1.34 -0.84 0.00 2.61 -1.08 -1.26 -5.09 116.67 109.66 1iru s ASP 55 Ca 0.00 -0.50 0.00 0.00 -0.52 0.00 0.00 52.55 51.53 1iru s ASP 55 Cb 0.00 1.08 0.00 0.00 -1.46 0.00 0.00 42.92 42.54 1iru s ASP 55 CO 0.00 -0.09 0.00 -1.84 0.52 0.00 0.00 175.17 173.76 1iru n GLU 56 N 3.85 0.00 -0.30 4.34 -0.00 -1.26 -1.51 120.64 125.76 1iru n GLU 56 Ca 0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 57.16 57.20 1iru n GLU 56 Cb 0.61 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 32.05 1iru n GLU 56 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1iru h ARG 57 N 0.00 -0.08 -2.20 3.44 1.12 -2.01 -2.91 114.38 111.74 1iru h ARG 57 Ca 0.00 0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.83 1iru h ARG 57 Cb 0.00 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 29.96 1iru h ARG 57 CO 0.00 -0.06 0.01 0.25 -3.11 0.00 0.00 179.97 177.07 1iru n THR 58 N -5.43 1.30 0.00 0.20 -2.24 -0.57 -3.25 114.28 104.29 1iru n THR 58 Ca 0.06 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1iru n THR 58 Cb 0.37 -1.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 1iru n THR 58 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1iru n VAL 59 N 2.17 0.00 -2.22 2.28 3.14 -1.10 -4.97 118.33 117.63 1iru n VAL 59 Ca 0.10 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.05 1iru n VAL 59 Cb 0.36 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.12 1iru n VAL 59 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1iru s ARG 60 N 0.00 4.04 0.00 1.45 0.52 -1.20 -4.84 118.95 118.92 1iru s ARG 60 Ca 0.00 1.73 0.00 0.00 -0.52 0.00 0.00 55.73 56.94 1iru s ARG 60 Cb 0.00 -3.92 0.00 0.00 0.52 0.00 0.00 34.95 31.55 1iru s ARG 60 CO 0.00 -0.99 0.28 0.36 0.02 0.00 0.00 175.30 174.98 1iru n LYS 61 N 7.17 0.44 -4.93 3.54 -0.00 -1.26 -4.60 118.16 118.53 1iru n LYS 61 Ca 0.16 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.20 1iru n LYS 61 Cb 0.45 -1.24 -0.16 0.00 -0.00 0.00 0.00 35.03 34.08 1iru n LYS 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1iru s ILE 62 N -0.54 1.59 0.05 0.58 1.09 -1.26 -3.20 121.20 119.51 1iru s ILE 62 Ca 0.00 -0.78 -0.07 0.00 -1.10 0.00 0.00 60.65 58.70 1iru s ILE 62 Cb 0.00 -1.38 -0.01 0.00 -1.06 0.00 0.00 42.46 40.01 1iru s ILE 62 CO 0.00 0.45 0.14 0.00 -0.10 0.00 0.00 174.94 175.43 1iru s ALA 64 N -2.82 3.54 -0.23 0.00 0.00 -1.26 0.95 121.76 121.94 1iru s ALA 64 Ca -0.03 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 1iru s ALA 64 Cb 0.00 -1.68 -0.13 0.00 0.00 0.00 0.00 23.12 21.32 1iru s ALA 64 CO -0.05 0.61 -0.26 1.28 0.00 0.00 0.00 175.76 177.34 1iru n LEU 65 N 2.01 2.35 0.00 0.00 4.77 -0.91 -4.91 117.00 120.31 1iru n LEU 65 Ca -0.19 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1iru n LEU 65 Cb 0.54 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1iru n LEU 65 CO 0.30 0.70 0.00 -0.67 -1.33 0.00 0.00 177.39 176.39 1iru n ASP 66 N -3.62 0.67 -0.42 -1.43 4.64 -1.04 -4.59 116.55 110.76 1iru n ASP 66 Ca -0.44 -0.27 0.12 0.00 -1.38 0.00 0.00 54.79 52.82 1iru n ASP 66 Cb 0.88 0.00 0.19 0.00 -1.04 0.00 0.00 41.12 41.16 1iru n ASP 66 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1iru n ASP 67 N -0.62 1.64 0.00 1.67 8.00 -1.26 -4.08 116.55 121.89 1iru n ASP 67 Ca 0.00 -1.28 0.00 0.00 0.71 0.00 0.00 54.79 54.22 1iru n ASP 67 Cb 0.00 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1iru n ASP 67 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1iru n ASN 68 N -0.19 0.73 -3.99 -2.24 5.03 -1.26 -4.91 115.26 108.42 1iru n ASN 68 Ca 0.11 -0.98 -0.08 0.00 0.87 0.00 0.00 54.58 54.51 1iru n ASN 68 Cb 0.42 0.03 -0.09 0.00 -1.02 0.00 0.00 39.78 39.12 1iru n ASN 68 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1iru s VAL 69 N -0.03 0.17 0.31 2.41 1.01 -1.26 -3.96 120.40 119.05 1iru s VAL 69 Ca 0.00 -1.42 -0.19 0.00 0.00 0.00 0.00 61.98 60.36 1iru s VAL 69 Cb 0.00 -1.21 0.03 0.00 0.00 0.00 0.00 36.38 35.20 1iru s VAL 69 CO 0.00 -0.79 0.73 0.00 0.00 0.00 0.00 175.10 175.05 1iru s MET 71 N -3.50 1.34 0.12 0.00 0.00 0.27 -0.67 119.30 116.86 1iru s MET 71 Ca 0.13 -0.81 0.06 0.00 0.00 0.00 0.00 55.69 55.07 1iru s MET 71 Cb -0.06 0.52 -0.04 0.00 0.00 0.00 0.00 34.83 35.26 1iru s MET 71 CO 0.08 -0.56 -0.14 0.00 0.00 0.00 0.00 175.02 174.40 1iru s ALA 72 N -3.85 1.48 0.21 3.16 0.00 0.33 -0.67 121.76 122.41 1iru s ALA 72 Ca 0.08 -1.29 -0.02 0.00 0.00 0.00 0.00 51.96 50.73 1iru s ALA 72 Cb -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 1iru s ALA 72 CO -0.05 0.10 0.17 -0.59 0.00 0.00 0.00 175.76 175.39 1iru s PHE 73 N -2.16 1.12 -0.15 0.00 -0.12 -1.19 -0.35 117.98 115.13 1iru s PHE 73 Ca 0.09 -1.34 -0.06 0.00 -0.05 0.00 0.00 56.93 55.57 1iru s PHE 73 Cb -0.05 -0.50 0.07 0.00 -0.63 0.00 0.00 43.02 41.91 1iru s PHE 73 CO 0.03 -0.69 0.32 0.00 -0.05 0.00 0.00 175.22 174.83 1iru s ALA 74 N -4.10 -0.76 0.00 1.99 0.00 -0.99 -4.86 121.76 113.04 1iru s ALA 74 Ca 0.38 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1iru s ALA 74 Cb 0.06 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 22.08 1iru s ALA 74 CO 0.13 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1iru n GLY 75 N 5.30 0.43 3.64 0.00 0.00 -1.26 -2.27 105.19 111.03 1iru n GLY 75 Ca -0.08 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 1iru n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iru n LEU 76 N 0.00 3.85 0.05 0.99 4.77 0.03 -4.85 117.00 121.84 1iru n LEU 76 Ca 0.00 0.64 -0.12 0.00 -0.03 0.00 0.00 56.01 56.50 1iru n LEU 76 Cb 0.00 -1.54 -0.05 0.00 -2.33 0.00 0.00 43.42 39.50 1iru n LEU 76 CO 0.00 -0.12 0.65 0.00 -1.33 0.00 0.00 177.39 176.59 1iru h THR 77 N 6.19 0.29 -0.74 -5.08 1.03 -1.97 -2.80 112.91 109.84 1iru h THR 77 Ca -0.47 0.00 0.11 0.00 -0.01 0.00 0.00 66.41 66.04 1iru h THR 77 Cb 1.24 0.29 -0.08 0.00 -1.07 0.00 0.00 68.15 68.54 1iru h THR 77 CO 0.95 0.00 0.36 0.00 -0.01 0.00 0.00 175.52 176.81 1iru h ALA 78 N 0.26 1.04 0.05 0.00 0.00 -1.99 -2.40 119.26 116.22 1iru h ALA 78 Ca 0.06 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1iru h ALA 78 Cb 0.56 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1iru h ALA 78 CO -0.28 -0.08 -0.11 -0.44 0.00 0.00 0.00 179.25 178.34 1iru h ASP 79 N 0.58 -0.32 -0.70 0.00 3.45 -1.89 -2.57 116.42 114.97 1iru h ASP 79 Ca 0.38 0.04 0.15 0.00 0.43 0.00 0.00 57.03 58.03 1iru h ASP 79 Cb 0.45 0.13 -0.13 0.00 -0.56 0.00 0.00 39.33 39.23 1iru h ASP 79 CO -0.31 -0.17 -0.07 0.00 -1.57 0.00 0.00 179.24 177.13 1iru h ALA 80 N 0.71 0.61 -0.11 3.45 0.00 -1.19 -0.72 119.26 122.01 1iru h ALA 80 Ca 0.03 0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1iru h ALA 80 Cb 0.24 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1iru h ALA 80 CO -0.08 -0.42 -0.48 -0.09 0.00 0.00 0.00 179.25 178.19 1iru h ARG 81 N 0.06 -0.53 -0.35 0.00 2.43 -1.17 0.76 114.38 115.57 1iru h ARG 81 Ca 0.36 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.64 1iru h ARG 81 Cb 0.59 0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 30.18 1iru h ARG 81 CO -0.65 -0.36 -0.32 0.82 -1.51 0.00 0.00 179.97 177.95 1iru h ILE 82 N -0.55 0.24 -0.64 1.20 1.08 -1.00 -0.32 117.51 117.52 1iru h ILE 82 Ca 0.05 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.49 1iru h ILE 82 Cb 0.66 0.24 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 1iru h ILE 82 CO -0.40 0.00 0.26 0.58 -0.69 0.00 0.00 178.15 177.89 1iru h VAL 83 N -0.28 1.22 0.90 1.67 2.07 -0.51 -1.99 116.25 119.33 1iru h VAL 83 Ca 0.16 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 1iru h VAL 83 Cb 0.54 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1iru h VAL 83 CO -0.51 0.28 -0.47 0.40 0.02 0.00 0.00 177.57 177.29 1iru h ILE 84 N 0.92 0.00 0.00 4.57 5.03 0.18 -2.15 117.51 126.06 1iru h ILE 84 Ca 0.22 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.96 1iru h ILE 84 Cb 0.18 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 33.97 1iru h ILE 84 CO -0.02 0.00 0.00 0.59 -0.68 0.00 0.00 178.15 178.04 1iru n ASN 85 N -5.51 0.00 0.01 1.72 3.02 -0.26 -1.28 115.26 112.96 1iru n ASN 85 Ca -0.16 0.30 -0.18 0.00 -0.03 0.00 0.00 54.58 54.52 1iru n ASN 85 Cb 0.51 -0.36 -0.14 0.00 -0.61 0.00 0.00 39.78 39.17 1iru n ASN 85 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1iru h ARG 86 N 0.00 0.20 -0.21 3.52 3.08 -0.96 -3.11 114.38 116.90 1iru h ARG 86 Ca 0.00 -0.35 -0.14 0.00 0.07 0.00 0.00 59.98 59.56 1iru h ARG 86 Cb 0.09 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1iru h ARG 86 CO 0.00 1.03 -0.46 0.00 -1.07 0.00 0.00 179.97 179.47 1iru h ALA 87 N 0.36 0.82 -0.37 0.04 0.00 -0.67 -1.09 119.26 118.35 1iru h ALA 87 Ca -0.36 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.12 1iru h ALA 87 Cb 2.03 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.68 1iru h ALA 87 CO 0.10 0.66 0.14 0.00 0.00 0.00 0.00 179.25 180.15 1iru h ARG 88 N 0.42 0.29 -0.11 0.00 3.08 -1.29 0.70 114.38 117.47 1iru h ARG 88 Ca 0.03 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1iru h ARG 88 Cb 0.96 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 1iru h ARG 88 CO 0.09 0.19 0.05 0.28 -1.07 0.00 0.00 179.97 179.51 1iru h VAL 89 N 0.30 1.13 -0.28 2.04 2.07 -1.43 -2.19 116.25 117.88 1iru h VAL 89 Ca 0.17 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1iru h VAL 89 Cb 0.14 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1iru h VAL 89 CO -0.17 0.11 0.19 -0.08 0.02 0.00 0.00 177.57 177.65 1iru h GLU 90 N 0.04 0.17 -0.11 1.57 4.57 -0.82 -1.11 114.58 118.89 1iru h GLU 90 Ca 0.04 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1iru h GLU 90 Cb 0.14 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1iru h GLU 90 CO -0.00 0.11 0.06 0.00 -1.18 0.00 0.00 179.01 178.00 1iru h GLN 92 N 0.09 0.03 0.00 0.00 1.08 -1.23 -3.02 115.11 112.06 1iru h GLN 92 Ca 0.04 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1iru h GLN 92 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1iru h GLN 92 CO -0.01 0.61 0.00 0.77 -0.95 0.00 0.00 178.83 179.26 1iru h SER 93 N 0.02 0.00 1.11 1.46 0.02 -0.96 -2.58 113.55 112.62 1iru h SER 93 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1iru h SER 93 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1iru h SER 93 CO 0.08 0.00 0.00 1.57 -1.14 0.00 0.00 176.83 177.34 1iru n HIS 94 N -3.08 0.72 0.05 3.45 -0.00 -0.30 -2.48 115.22 113.58 1iru n HIS 94 Ca 0.03 0.24 0.09 0.00 -0.00 0.00 0.00 57.72 58.07 1iru n HIS 94 Cb 0.45 -0.89 -0.08 0.00 -0.00 0.00 0.00 29.99 29.48 1iru n HIS 94 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1iru n ARG 95 N -2.12 0.63 0.05 1.57 1.74 -0.98 -2.83 116.66 114.72 1iru n ARG 95 Ca 0.04 0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 56.99 1iru n ARG 95 Cb 0.34 -1.70 -0.14 0.00 -1.02 0.00 0.00 32.46 29.93 1iru n ARG 95 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1iru h LEU 96 N 0.00 0.30 0.03 0.55 3.38 -1.39 -3.35 115.31 114.83 1iru h LEU 96 Ca -0.05 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 1iru h LEU 96 Cb 1.13 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1iru h LEU 96 CO 0.01 1.37 -0.01 0.71 0.09 0.00 0.00 178.44 180.60 1iru h THR 97 N 0.05 1.35 -0.97 0.22 1.35 -1.66 -3.45 112.91 109.80 1iru h THR 97 Ca -0.24 -1.82 -0.50 0.00 -0.55 0.00 0.00 66.41 63.31 1iru h THR 97 Cb 1.99 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 70.87 1iru h THR 97 CO 0.14 0.42 -0.22 -0.69 -0.25 0.00 0.00 175.52 174.93 1iru s VAL 98 N -2.58 2.27 -0.15 6.82 1.01 -1.13 -5.06 120.40 121.58 1iru s VAL 98 Ca -0.15 -1.16 0.07 0.00 0.00 0.00 0.00 61.98 60.74 1iru s VAL 98 Cb -0.01 -2.43 -0.14 0.00 0.00 0.00 0.00 36.38 33.79 1iru s VAL 98 CO 0.56 0.00 -0.04 1.21 0.00 0.00 0.00 175.10 176.83 1iru n GLU 99 N -1.96 1.19 -0.88 2.72 2.13 -1.26 -4.10 120.64 118.49 1iru n GLU 99 Ca 0.09 0.04 -0.29 0.00 0.66 0.00 0.00 57.16 57.65 1iru n GLU 99 Cb 0.62 -1.34 0.19 0.00 0.27 0.00 0.00 31.44 31.17 1iru n GLU 99 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1iru s ASP 100 N -5.11 2.43 1.01 4.31 1.01 -1.26 -4.83 116.67 114.23 1iru s ASP 100 Ca -0.14 1.60 -0.03 0.00 0.71 0.00 0.00 52.55 54.69 1iru s ASP 100 Cb 0.05 -2.26 0.04 0.00 1.01 0.00 0.00 42.92 41.76 1iru s ASP 100 CO 0.48 -3.31 0.23 -0.81 0.21 0.00 0.00 175.17 171.97 1iru n PRO 101 N -4.33 -0.38 -3.23 8.23 -0.04 -1.26 -4.36 135.00 129.63 1iru n PRO 101 Ca 0.06 -0.36 -0.39 0.00 -0.04 0.00 0.00 63.50 62.78 1iru n PRO 101 Cb 0.54 -0.25 -0.06 0.00 -0.04 0.00 0.00 33.50 33.70 1iru n PRO 101 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1iru s VAL 102 N -1.49 4.83 0.84 0.52 1.01 -1.26 -4.93 120.40 119.92 1iru s VAL 102 Ca 0.13 1.24 -0.12 0.00 0.00 0.00 0.00 61.98 63.23 1iru s VAL 102 Cb -0.00 -3.92 0.12 0.00 0.00 0.00 0.00 36.38 32.57 1iru s VAL 102 CO 0.09 0.47 1.20 0.42 0.00 0.00 0.00 175.10 177.29 1iru s THR 103 N -0.57 2.03 0.01 3.92 -4.23 -1.26 -4.95 115.64 110.58 1iru s THR 103 Ca 0.30 -0.04 -0.26 0.00 -1.18 0.00 0.00 61.69 60.52 1iru s THR 103 Cb -0.19 -2.99 -0.15 0.00 1.34 0.00 0.00 72.50 70.51 1iru s THR 103 CO 0.18 0.00 1.15 0.58 -0.54 0.00 0.00 174.62 175.99 1iru h VAL 104 N -1.18 0.28 0.28 2.29 2.07 -1.94 -3.28 116.25 114.76 1iru h VAL 104 Ca -0.45 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1iru h VAL 104 Cb 1.30 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1iru h VAL 104 CO 0.56 0.04 -0.13 -0.08 0.02 0.00 0.00 177.57 177.98 1iru h GLU 105 N -1.05 -0.36 -0.57 1.57 4.81 -1.98 -3.27 114.58 113.73 1iru h GLU 105 Ca -0.07 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1iru h GLU 105 Cb 0.63 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.02 1iru h GLU 105 CO 0.12 -0.02 -0.34 0.98 -0.73 0.00 0.00 179.01 179.02 1iru n TYR 106 N -5.05 -0.25 -0.11 0.92 9.36 -1.26 0.11 117.16 120.88 1iru n TYR 106 Ca -0.08 0.71 0.03 0.00 3.32 0.00 0.00 57.90 61.89 1iru n TYR 106 Cb 0.26 -0.53 0.35 0.00 -0.63 0.00 0.00 39.34 38.79 1iru n TYR 106 CO 0.00 0.00 0.00 0.97 0.22 0.00 0.00 176.86 178.05 1iru h ILE 107 N 0.00 1.11 -0.25 2.97 6.09 -1.70 0.11 117.51 125.84 1iru h ILE 107 Ca 0.09 -0.26 -0.08 0.00 -1.37 0.00 0.00 64.86 63.25 1iru h ILE 107 Cb 0.23 0.30 -0.01 0.00 0.47 0.00 0.00 36.82 37.81 1iru h ILE 107 CO -0.54 0.14 -0.14 0.74 -3.07 0.00 0.00 178.15 175.28 1iru h THR 108 N 0.75 1.30 -0.39 2.19 2.02 0.68 -1.97 112.91 117.49 1iru h THR 108 Ca 0.23 -1.23 0.04 0.00 0.77 0.00 0.00 66.41 66.22 1iru h THR 108 Cb -0.00 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 1iru h THR 108 CO -0.06 0.38 0.17 -0.09 0.37 0.00 0.00 175.52 176.30 1iru h ARG 109 N 0.26 0.34 -0.53 6.66 2.43 0.14 -0.14 114.38 123.55 1iru h ARG 109 Ca 0.05 -0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.30 1iru h ARG 109 Cb 0.65 -0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 30.04 1iru h ARG 109 CO 0.04 0.23 0.05 -0.92 -1.51 0.00 0.00 179.97 177.85 1iru h TYR 110 N 0.35 0.06 -0.65 2.20 3.20 -0.58 0.24 116.97 121.79 1iru h TYR 110 Ca 0.17 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 1iru h TYR 110 Cb 0.12 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1iru h TYR 110 CO -0.12 -0.08 0.13 0.82 -1.64 0.00 0.00 178.16 177.27 1iru h ILE 111 N 0.17 1.26 -0.40 1.81 2.04 -0.54 -1.12 117.51 120.73 1iru h ILE 111 Ca 0.27 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1iru h ILE 111 Cb 0.40 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1iru h ILE 111 CO -0.40 0.37 0.13 0.00 0.00 0.00 0.00 178.15 178.24 1iru h ALA 112 N 1.15 0.52 -0.66 1.87 0.00 0.18 -1.39 119.26 120.93 1iru h ALA 112 Ca 0.20 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1iru h ALA 112 Cb 0.39 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1iru h ALA 112 CO 0.01 0.16 0.43 1.03 0.00 0.00 0.00 179.25 180.88 1iru h SER 113 N 0.50 0.76 -0.07 0.00 0.87 -0.22 0.18 113.55 115.57 1iru h SER 113 Ca 0.13 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1iru h SER 113 Cb 0.25 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1iru h SER 113 CO -0.01 0.55 0.01 0.25 -0.53 0.00 0.00 176.83 177.11 1iru h LEU 114 N 0.89 0.11 -0.28 2.23 5.85 -0.73 -1.54 115.31 121.83 1iru h LEU 114 Ca 0.24 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1iru h LEU 114 Cb -0.09 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1iru h LEU 114 CO -0.05 0.34 0.11 0.11 -0.34 0.00 0.00 178.44 178.61 1iru h LYS 115 N -0.12 0.42 -0.24 1.25 1.57 -0.54 -2.24 116.57 116.67 1iru h LYS 115 Ca 0.02 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1iru h LYS 115 Cb 0.27 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1iru h LYS 115 CO 0.00 0.44 -0.01 0.37 -0.57 0.00 0.00 179.45 179.69 1iru h GLN 116 N 0.31 0.06 -0.36 3.15 -0.00 -0.67 -2.09 115.11 115.51 1iru h GLN 116 Ca 0.09 -0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.82 1iru h GLN 116 Cb 0.18 -0.01 -0.08 0.00 0.00 0.00 0.00 27.48 27.57 1iru h GLN 116 CO -0.01 0.04 -0.17 0.00 0.00 0.00 0.00 178.83 178.70 1iru h ARG 117 N 0.06 -0.10 -0.02 1.69 3.08 -1.13 0.01 114.38 117.98 1iru h ARG 117 Ca 0.11 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1iru h ARG 117 Cb 0.15 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1iru h ARG 117 CO -0.19 -0.07 0.00 0.66 -1.07 0.00 0.00 179.97 179.30 1iru n TYR 118 N -5.35 0.00 0.02 3.04 4.02 -0.79 -0.54 117.16 117.56 1iru n TYR 118 Ca 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.92 1iru n TYR 118 Cb 0.26 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.60 1iru n TYR 118 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1iru n THR 119 N -0.43 0.54 -2.08 -0.72 -2.24 -0.01 -3.43 114.28 105.90 1iru n THR 119 Ca 0.00 -0.77 0.01 0.00 -2.27 0.00 0.00 64.05 61.02 1iru n THR 119 Cb 0.00 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1iru n THR 119 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1iru n GLN 120 N -0.12 0.00 -5.12 -0.78 7.27 0.30 -4.66 117.38 114.27 1iru n GLN 120 Ca 0.02 -1.07 -0.30 0.00 0.07 0.00 0.00 57.00 55.72 1iru n GLN 120 Cb 0.17 -0.34 -0.16 0.00 2.41 0.00 0.00 30.24 32.32 1iru n GLN 120 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1iru s SER 121 N -1.07 2.77 0.77 1.69 0.01 -1.08 -5.06 113.70 111.74 1iru s SER 121 Ca 0.06 -0.46 -0.14 0.00 1.31 0.00 0.00 55.95 56.71 1iru s SER 121 Cb 0.07 -0.80 0.06 0.00 0.21 0.00 0.00 66.02 65.55 1iru s SER 121 CO -0.03 0.21 1.22 0.59 0.41 0.00 0.00 173.24 175.64 1iru n ASN 122 N 3.05 1.25 0.00 2.44 3.02 -1.26 -2.94 115.26 120.82 1iru n ASN 122 Ca -0.18 0.64 0.00 0.00 -0.03 0.00 0.00 54.58 55.02 1iru n ASN 122 Cb 0.52 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.18 1iru n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iru n GLY 123 N 0.65 2.37 3.69 7.41 0.00 0.21 -4.88 105.19 114.63 1iru n GLY 123 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1iru n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iru s ARG 124 N 0.00 2.51 0.13 1.61 0.52 -1.15 -4.99 118.95 117.57 1iru s ARG 124 Ca 0.00 -0.99 0.04 0.00 -0.52 0.00 0.00 55.73 54.26 1iru s ARG 124 Cb 0.00 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.98 1iru s ARG 124 CO 0.00 0.49 0.11 0.50 0.02 0.00 0.00 175.30 176.41 1iru s ARG 125 N -2.75 2.88 0.88 3.54 3.52 -1.26 -4.48 118.95 121.28 1iru s ARG 125 Ca 0.27 -0.80 -0.12 0.00 -0.13 0.00 0.00 55.73 54.95 1iru s ARG 125 Cb -0.10 -2.67 0.12 0.00 -1.56 0.00 0.00 34.95 30.74 1iru s ARG 125 CO 0.19 0.52 1.14 -2.14 -0.81 0.00 0.00 175.30 174.20 1iru s PRO 126 N -2.79 1.35 -0.09 5.12 0.02 -1.22 -4.85 135.00 132.55 1iru s PRO 126 Ca 0.30 0.28 -0.26 0.00 0.02 0.00 0.00 61.00 61.34 1iru s PRO 126 Cb -0.11 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 1iru s PRO 126 CO 0.23 -2.05 0.85 -0.06 -0.33 0.00 0.00 177.00 175.64 1iru s PHE 127 N -3.32 3.54 -1.31 6.54 0.40 -1.26 -4.97 117.98 117.59 1iru s PHE 127 Ca 0.63 1.41 -0.06 0.00 -0.60 0.00 0.00 56.93 58.31 1iru s PHE 127 Cb -0.14 -3.00 0.13 0.00 0.51 0.00 0.00 43.02 40.52 1iru s PHE 127 CO 0.53 -0.08 2.32 0.41 0.70 0.00 0.00 175.22 179.09 1iru n GLY 128 N 3.16 5.18 3.41 4.36 0.00 -1.26 -4.46 105.19 115.59 1iru n GLY 128 Ca 0.04 -2.07 -0.16 0.00 0.00 0.00 0.00 46.02 43.83 1iru n GLY 128 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iru s ILE 129 N -1.03 0.02 0.25 -0.61 -4.36 -1.26 -0.79 121.20 113.41 1iru s ILE 129 Ca 0.52 -0.17 0.08 0.00 -0.26 0.00 0.00 60.65 60.83 1iru s ILE 129 Cb 0.17 -0.83 -0.04 0.00 1.25 0.00 0.00 42.46 43.01 1iru s ILE 129 CO -0.08 -0.09 0.05 -0.44 0.24 0.00 0.00 174.94 174.61 1iru s SER 130 N -1.00 4.84 0.00 4.36 0.01 -0.96 -3.70 113.70 117.25 1iru s SER 130 Ca -0.10 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.67 1iru s SER 130 Cb -0.02 -1.02 -0.01 0.00 0.21 0.00 0.00 66.02 65.18 1iru s SER 130 CO 0.07 0.01 -0.03 0.00 0.41 0.00 0.00 173.24 173.69 1iru s ALA 131 N -2.17 0.27 -0.36 1.44 0.00 0.85 -2.35 121.76 119.44 1iru s ALA 131 Ca 0.31 -0.22 -0.05 0.00 0.00 0.00 0.00 51.96 52.00 1iru s ALA 131 Cb -0.07 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.07 1iru s ALA 131 CO 0.21 0.04 0.13 -0.51 0.00 0.00 0.00 175.76 175.63 1iru s LEU 132 N -0.31 4.59 -0.17 0.00 1.43 0.52 -0.20 118.68 124.53 1iru s LEU 132 Ca -0.01 -1.43 -0.10 0.00 -1.03 0.00 0.00 54.13 51.56 1iru s LEU 132 Cb -0.03 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 1iru s LEU 132 CO -0.00 -0.40 0.16 -0.63 0.23 0.00 0.00 176.35 175.71 1iru s ILE 133 N 1.32 5.41 0.14 -0.59 1.01 0.11 -0.51 121.20 128.09 1iru s ILE 133 Ca 0.01 0.25 0.09 0.00 0.00 0.00 0.00 60.65 60.99 1iru s ILE 133 Cb -0.21 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1iru s ILE 133 CO 0.00 0.48 -0.20 -0.69 0.00 0.00 0.00 174.94 174.53 1iru s VAL 134 N 0.01 1.85 0.00 2.92 1.01 0.15 -1.30 120.40 125.04 1iru s VAL 134 Ca 0.11 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.29 1iru s VAL 134 Cb -0.12 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.49 1iru s VAL 134 CO 0.00 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.52 1iru n GLY 135 N 0.58 3.28 3.79 4.51 0.00 -1.13 -1.71 105.19 114.52 1iru n GLY 135 Ca -0.15 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 1iru n GLY 135 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iru s PHE 136 N -2.00 3.49 -1.01 1.61 0.40 -1.25 -0.72 117.98 118.49 1iru s PHE 136 Ca 0.00 0.41 -0.23 0.00 -0.60 0.00 0.00 56.93 56.52 1iru s PHE 136 Cb 0.00 -2.07 -0.12 0.00 0.51 0.00 0.00 43.02 41.34 1iru s PHE 136 CO 0.00 0.48 1.92 -0.25 0.70 0.00 0.00 175.22 178.07 1iru n ASP 137 N 2.87 2.83 -0.47 1.36 8.00 0.30 -4.87 116.55 126.58 1iru n ASP 137 Ca -0.18 -2.69 -0.06 0.00 0.71 0.00 0.00 54.79 52.57 1iru n ASP 137 Cb 0.53 -1.48 -0.01 0.00 -0.02 0.00 0.00 41.12 40.15 1iru n ASP 137 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1iru n PHE 138 N 11.65 0.14 -2.66 1.24 0.99 -1.26 0.77 117.46 128.32 1iru n PHE 138 Ca 0.47 0.11 -0.10 0.00 -0.00 0.00 0.00 57.45 57.93 1iru n PHE 138 Cb 0.44 -0.22 0.02 0.00 -1.00 0.00 0.00 39.48 38.72 1iru n PHE 138 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1iru n ASP 139 N 0.31 -3.64 -0.33 4.37 3.85 -1.26 -4.95 116.55 114.91 1iru n ASP 139 Ca 0.03 -0.15 0.00 0.00 -0.71 0.00 0.00 54.79 53.96 1iru n ASP 139 Cb -0.00 -2.48 0.00 0.00 -1.35 0.00 0.00 41.12 37.29 1iru n ASP 139 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iru n GLY 140 N -1.10 0.99 3.84 6.12 0.00 0.23 -5.17 105.19 110.09 1iru n GLY 140 Ca -0.04 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1iru n GLY 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iru s THR 141 N -2.19 2.32 -0.21 2.61 -4.23 -1.26 -4.46 115.64 108.23 1iru s THR 141 Ca 0.00 0.10 -0.18 0.00 -1.18 0.00 0.00 61.69 60.43 1iru s THR 141 Cb 0.00 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.84 1iru s THR 141 CO 0.00 -0.14 0.50 -2.16 -0.54 0.00 0.00 174.62 172.28 1iru s PRO 142 N -5.38 4.17 0.28 3.99 0.04 -1.26 0.11 135.00 136.95 1iru s PRO 142 Ca 0.62 0.37 0.09 0.00 0.04 0.00 0.00 61.00 62.12 1iru s PRO 142 Cb -0.13 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 1iru s PRO 142 CO 0.52 -0.15 0.05 1.03 0.04 0.00 0.00 177.00 178.48 1iru s ARG 143 N 1.66 2.38 -0.03 4.56 0.52 0.10 -4.87 118.95 123.26 1iru s ARG 143 Ca 0.23 -1.42 0.01 0.00 -0.52 0.00 0.00 55.73 54.03 1iru s ARG 143 Cb -0.15 -2.20 0.02 0.00 0.52 0.00 0.00 34.95 33.14 1iru s ARG 143 CO 0.09 0.31 -0.01 -1.17 0.02 0.00 0.00 175.30 174.54 1iru s LEU 144 N -3.73 1.30 0.12 2.53 2.96 -1.26 -2.82 118.68 117.76 1iru s LEU 144 Ca 0.33 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.22 1iru s LEU 144 Cb -0.06 -0.26 -0.04 0.00 0.50 0.00 0.00 46.19 46.33 1iru s LEU 144 CO 0.21 -0.07 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.77 1iru s TYR 145 N 0.87 1.06 0.03 5.38 1.51 -0.42 -1.44 117.35 124.35 1iru s TYR 145 Ca -0.09 -0.80 0.02 0.00 -1.01 0.00 0.00 57.07 55.18 1iru s TYR 145 Cb -0.13 -0.57 -0.02 0.00 -0.11 0.00 0.00 41.96 41.13 1iru s TYR 145 CO -0.01 -0.03 -0.06 1.14 -1.11 0.00 0.00 175.55 175.47 1iru s GLN 146 N -3.59 0.47 0.02 -0.62 0.00 -0.55 0.08 119.66 115.46 1iru s GLN 146 Ca 0.12 -0.70 0.01 0.00 -0.00 0.00 0.00 55.36 54.80 1iru s GLN 146 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 33.01 32.83 1iru s GLN 146 CO -0.02 0.03 -0.05 0.95 0.00 0.00 0.00 175.29 176.20 1iru s THR 147 N -1.35 0.32 0.34 3.63 -4.23 0.72 -2.65 115.64 112.40 1iru s THR 147 Ca -0.11 -0.60 0.07 0.00 -1.18 0.00 0.00 61.69 59.87 1iru s THR 147 Cb -0.10 -0.35 -0.07 0.00 1.34 0.00 0.00 72.50 73.33 1iru s THR 147 CO 0.00 -0.19 -0.02 1.51 -0.54 0.00 0.00 174.62 175.37 1iru s ASP 148 N -0.85 3.16 0.44 3.99 -4.77 -1.19 -0.10 116.67 117.35 1iru s ASP 148 Ca -0.06 -1.28 0.21 0.00 -3.30 0.00 0.00 52.55 48.13 1iru s ASP 148 Cb -0.06 -0.25 1.18 0.00 -1.09 0.00 0.00 42.92 42.71 1iru s ASP 148 CO -0.00 -0.40 1.83 -0.65 0.70 0.00 0.00 175.17 176.66 1iru h PRO 149 N 2.06 0.30 -0.66 2.11 0.11 -1.78 -0.53 132.00 133.62 1iru h PRO 149 Ca -0.42 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 65.87 1iru h PRO 149 Cb 1.24 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1iru h PRO 149 CO 0.72 0.20 0.54 0.66 -0.21 0.00 0.00 178.00 179.91 1iru h SER 150 N 0.31 0.00 0.00 -2.05 4.64 -1.90 -3.39 113.55 111.16 1iru h SER 150 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1iru h SER 150 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1iru h SER 150 CO -0.17 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.40 1iru n GLY 151 N -1.62 0.57 3.84 -0.77 0.00 -0.21 -4.30 105.19 102.70 1iru n GLY 151 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1iru n GLY 151 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iru s THR 152 N -2.00 4.62 -0.04 2.61 -4.23 -1.26 -4.51 115.64 110.83 1iru s THR 152 Ca 0.00 1.05 -0.10 0.00 -1.18 0.00 0.00 61.69 61.46 1iru s THR 152 Cb 0.00 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 70.25 1iru s THR 152 CO 0.00 -0.22 0.24 -0.72 -0.54 0.00 0.00 174.62 173.37 1iru s TYR 153 N -2.04 -0.15 0.07 3.99 -0.85 -1.26 -3.17 117.35 113.93 1iru s TYR 153 Ca 0.56 0.30 -0.05 0.00 -0.52 0.00 0.00 57.07 57.36 1iru s TYR 153 Cb -0.10 0.05 -0.02 0.00 0.38 0.00 0.00 41.96 42.27 1iru s TYR 153 CO 0.17 -0.26 0.08 -1.01 -1.52 0.00 0.00 175.55 173.01 1iru s HIS 154 N -0.79 0.32 -0.15 -3.49 3.76 -1.09 -4.99 115.29 108.86 1iru s HIS 154 Ca -0.09 -0.80 -0.17 0.00 -0.15 0.00 0.00 55.06 53.86 1iru s HIS 154 Cb -0.05 -0.21 -0.04 0.00 1.11 0.00 0.00 32.58 33.39 1iru s HIS 154 CO 0.02 -0.46 0.42 0.00 -0.85 0.00 0.00 174.74 173.87 1iru s ALA 155 N -3.79 3.53 0.19 -1.40 0.00 -1.26 -1.49 121.76 117.54 1iru s ALA 155 Ca 0.05 -0.34 0.09 0.00 0.00 0.00 0.00 51.96 51.76 1iru s ALA 155 Cb 0.06 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 1iru s ALA 155 CO -0.10 -0.08 -0.06 -1.58 0.00 0.00 0.00 175.76 173.94 1iru s TRP 156 N 0.81 2.69 -0.01 0.00 0.52 -0.52 -4.98 118.94 117.45 1iru s TRP 156 Ca 0.22 -0.20 0.11 0.00 0.02 0.00 0.00 56.10 56.25 1iru s TRP 156 Cb -0.14 -1.29 -0.14 0.00 -1.15 0.00 0.00 33.47 30.74 1iru s TRP 156 CO 0.08 0.53 1.12 1.57 0.02 0.00 0.00 176.95 180.27 1iru h LYS 157 N 2.69 0.00 -1.41 4.98 -0.00 -1.93 -3.39 116.57 117.51 1iru h LYS 157 Ca -0.46 0.00 0.23 0.00 -0.00 0.00 0.00 60.65 60.42 1iru h LYS 157 Cb 1.21 0.00 -0.21 0.00 -0.00 0.00 0.00 32.23 33.23 1iru h LYS 157 CO 0.56 0.68 0.81 0.00 -0.00 0.00 0.00 179.45 181.50 1iru s ALA 158 N -2.77 -2.06 0.02 0.07 0.00 -1.26 -1.23 121.76 114.53 1iru s ALA 158 Ca -0.00 1.65 -0.29 0.00 0.00 0.00 0.00 51.96 53.32 1iru s ALA 158 Cb 0.09 -0.46 0.11 0.00 0.00 0.00 0.00 23.12 22.86 1iru s ALA 158 CO 0.80 -0.49 1.21 -0.80 0.00 0.00 0.00 175.76 176.48 1iru s ASN 159 N -1.83 -0.09 -0.01 0.00 0.02 0.10 -4.96 114.94 108.16 1iru s ASN 159 Ca 0.08 -0.19 -0.04 0.00 -1.02 0.00 0.00 52.86 51.68 1iru s ASN 159 Cb -0.01 0.24 0.00 0.00 0.02 0.00 0.00 41.25 41.50 1iru s ASN 159 CO -0.05 -0.44 0.09 0.00 0.02 0.00 0.00 177.10 176.72 1iru s ALA 160 N -2.63 -0.20 0.03 0.60 0.00 -1.26 0.23 121.76 118.52 1iru s ALA 160 Ca 0.14 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.07 1iru s ALA 160 Cb 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 1iru s ALA 160 CO -0.02 -0.12 -0.04 0.96 0.00 0.00 0.00 175.76 176.53 1iru s ILE 161 N -0.72 0.24 0.00 0.00 -4.36 0.52 -4.81 121.20 112.07 1iru s ILE 161 Ca -0.08 -0.98 0.00 0.00 -0.26 0.00 0.00 60.65 59.33 1iru s ILE 161 Cb -0.05 -0.39 0.00 0.00 1.25 0.00 0.00 42.46 43.27 1iru s ILE 161 CO 0.00 -0.47 0.00 0.61 0.24 0.00 0.00 174.94 175.32 1iru n GLY 162 N 1.53 -0.51 3.68 6.27 0.00 -1.26 -0.54 105.19 114.36 1iru n GLY 162 Ca -0.23 -2.04 -0.47 0.00 0.00 0.00 0.00 46.02 43.28 1iru n GLY 162 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1iru n ARG 163 N 0.00 2.18 -1.17 1.61 0.00 0.43 -1.71 116.66 118.00 1iru n ARG 163 Ca 0.00 0.79 -0.09 0.00 -0.00 0.00 0.00 57.85 58.56 1iru n ARG 163 Cb 0.00 -2.61 -0.04 0.00 -0.00 0.00 0.00 32.46 29.81 1iru n ARG 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1iru n GLY 164 N 4.01 0.81 0.41 2.89 0.00 -1.26 -4.37 105.19 107.69 1iru n GLY 164 Ca 0.20 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.43 1iru n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iru h ALA 165 N 0.15 2.22 -0.35 4.61 0.00 -1.62 0.40 119.26 124.66 1iru h ALA 165 Ca -0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1iru h ALA 165 Cb 1.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1iru h ALA 165 CO 0.26 -0.86 0.18 0.87 0.00 0.00 0.00 179.25 179.70 1iru h LYS 166 N 0.00 0.49 0.29 0.00 1.57 -1.87 0.60 116.57 117.66 1iru h LYS 166 Ca 0.23 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1iru h LYS 166 Cb 1.44 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1iru h LYS 166 CO -0.00 0.42 -0.14 0.77 -0.57 0.00 0.00 179.45 179.93 1iru h SER 167 N 0.43 -0.33 -1.37 0.86 0.02 -0.58 0.11 113.55 112.69 1iru h SER 167 Ca 0.12 0.01 0.40 0.00 -0.84 0.00 0.00 61.79 61.48 1iru h SER 167 Cb 0.08 0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.64 1iru h SER 167 CO -0.02 -0.23 0.97 0.58 -1.14 0.00 0.00 176.83 176.99 1iru h VAL 168 N -0.41 0.30 -0.09 2.27 2.07 -1.51 0.83 116.25 119.71 1iru h VAL 168 Ca -0.04 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 1iru h VAL 168 Cb 0.30 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1iru h VAL 168 CO 0.07 0.01 -0.24 0.03 0.02 0.00 0.00 177.57 177.45 1iru h ARG 169 N 0.04 0.32 -0.98 1.57 3.08 -0.52 0.19 114.38 118.09 1iru h ARG 169 Ca 0.67 -0.23 0.06 0.00 0.07 0.00 0.00 59.98 60.56 1iru h ARG 169 Cb 2.57 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 32.59 1iru h ARG 169 CO -0.07 0.84 0.63 1.05 -1.07 0.00 0.00 179.97 181.36 1iru h GLU 170 N -0.14 1.12 0.57 0.04 9.09 0.26 -1.17 114.58 124.36 1iru h GLU 170 Ca -0.00 -0.07 -0.03 0.00 0.05 0.00 0.00 59.36 59.31 1iru h GLU 170 Cb 0.85 -0.25 0.01 0.00 -1.65 0.00 0.00 28.75 27.71 1iru h GLU 170 CO 0.05 0.74 -0.28 0.35 0.05 0.00 0.00 179.01 179.93 1iru h PHE 171 N 1.16 -0.71 -1.04 2.06 3.57 -0.71 -3.17 116.94 118.10 1iru h PHE 171 Ca 0.41 -0.02 0.32 0.00 3.53 0.00 0.00 57.97 62.22 1iru h PHE 171 Cb 0.14 0.24 -0.14 0.00 2.79 0.00 0.00 35.95 38.97 1iru h PHE 171 CO -0.00 -0.44 0.61 -0.07 -2.23 0.00 0.00 178.31 176.17 1iru h LEU 172 N -1.01 0.50 -1.40 0.59 3.38 -0.41 1.31 115.31 118.27 1iru h LEU 172 Ca -0.08 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1iru h LEU 172 Cb 0.59 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1iru h LEU 172 CO 0.13 -0.11 0.00 -0.33 0.09 0.00 0.00 178.44 178.22 1iru h GLU 173 N 0.33 0.00 -0.23 1.13 5.08 -1.19 -2.47 114.58 117.22 1iru h GLU 173 Ca 0.73 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.99 1iru h GLU 173 Cb 1.72 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.91 1iru h GLU 173 CO -0.55 0.00 -0.13 1.63 -1.00 0.00 0.00 179.01 178.95 1iru n LYS 174 N -2.44 1.91 0.00 2.33 5.02 0.45 -4.57 118.16 120.86 1iru n LYS 174 Ca -0.00 -3.08 0.00 0.00 -2.02 0.00 0.00 58.31 53.20 1iru n LYS 174 Cb 0.13 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 1iru n LYS 174 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1iru n ASN 175 N -1.06 0.00 -4.62 4.39 3.02 -0.95 -5.06 115.26 110.98 1iru n ASN 175 Ca 0.27 -0.18 -0.41 0.00 -0.03 0.00 0.00 54.58 54.23 1iru n ASN 175 Cb 0.91 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 40.02 1iru n ASN 175 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1iru s TYR 176 N 0.00 3.27 0.04 3.10 5.04 -1.07 -4.69 117.35 123.03 1iru s TYR 176 Ca 0.00 0.84 -0.24 0.00 -2.44 0.00 0.00 57.07 55.23 1iru s TYR 176 Cb 0.00 -2.94 0.06 0.00 0.35 0.00 0.00 41.96 39.43 1iru s TYR 176 CO 0.00 -0.38 0.54 0.95 -1.34 0.00 0.00 175.55 175.32 1iru s THR 177 N 2.62 0.02 0.30 4.34 -4.23 -1.26 -4.97 115.64 112.46 1iru s THR 177 Ca 0.28 -0.19 0.03 0.00 -1.18 0.00 0.00 61.69 60.63 1iru s THR 177 Cb -0.15 -0.97 0.33 0.00 1.34 0.00 0.00 72.50 73.05 1iru s THR 177 CO 0.09 -0.11 1.63 0.44 -0.54 0.00 0.00 174.62 176.13 1iru h ASP 178 N 2.79 -0.07 0.26 3.99 3.32 -1.95 -0.10 116.42 124.65 1iru h ASP 178 Ca -0.30 0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1iru h ASP 178 Cb 1.21 0.31 0.00 0.00 0.22 0.00 0.00 39.33 41.07 1iru h ASP 178 CO 0.41 -0.21 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.26 1iru h GLU 179 N 0.16 -0.34 -6.02 3.56 5.08 -1.97 -3.33 114.58 111.71 1iru h GLU 179 Ca 0.58 0.02 -0.63 0.00 -1.00 0.00 0.00 59.36 58.33 1iru h GLU 179 Cb 1.20 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1iru h GLU 179 CO -0.71 0.01 1.42 0.00 -1.00 0.00 0.00 179.01 178.73 1iru n ALA 180 N -2.52 1.38 -2.77 3.43 0.00 -0.05 -1.63 120.51 118.35 1iru n ALA 180 Ca -0.09 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.14 1iru n ALA 180 Cb 0.26 -2.71 0.05 0.00 0.00 0.00 0.00 19.45 17.06 1iru n ALA 180 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1iru n ILE 181 N 7.22 -6.87 0.45 0.00 -0.00 -1.26 -4.20 119.36 114.70 1iru n ILE 181 Ca 0.34 -0.97 0.10 0.00 -0.00 0.00 0.00 62.75 62.23 1iru n ILE 181 Cb 0.33 -5.53 0.26 0.00 -0.00 0.00 0.00 39.64 34.71 1iru n ILE 181 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1iru n GLU 182 N -2.76 2.23 -3.74 6.28 4.71 -0.64 -4.39 120.64 122.33 1iru n GLU 182 Ca -0.05 -1.88 -0.13 0.00 -0.01 0.00 0.00 57.16 55.08 1iru n GLU 182 Cb 0.59 -1.44 -0.10 0.00 -1.01 0.00 0.00 31.44 29.48 1iru n GLU 182 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 1iru s THR 183 N -1.41 0.01 0.48 2.62 -1.32 -1.26 -5.03 115.64 109.71 1iru s THR 183 Ca 0.36 -0.06 0.39 0.00 -1.21 0.00 0.00 61.69 61.18 1iru s THR 183 Cb 0.20 -0.56 0.59 0.00 -1.51 0.00 0.00 72.50 71.21 1iru s THR 183 CO 0.27 -0.03 1.54 0.47 -2.21 0.00 0.00 174.62 174.65 1iru n ASP 184 N 2.65 0.13 -0.18 8.08 9.92 -1.26 0.12 116.55 136.00 1iru n ASP 184 Ca -0.14 1.22 -0.10 0.00 -0.53 0.00 0.00 54.79 55.23 1iru n ASP 184 Cb 0.57 -0.60 0.01 0.00 -0.64 0.00 0.00 41.12 40.46 1iru n ASP 184 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1iru h ASP 185 N 0.00 0.97 0.97 -2.24 3.32 -1.97 -2.99 116.42 114.47 1iru h ASP 185 Ca 0.89 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 57.49 1iru h ASP 185 Cb 3.16 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 42.43 1iru h ASP 185 CO -0.29 1.08 -1.09 0.25 -1.72 0.00 0.00 179.24 177.47 1iru h LEU 186 N 0.83 0.00 0.69 1.55 5.85 0.51 -3.33 115.31 121.41 1iru h LEU 186 Ca 0.14 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1iru h LEU 186 Cb 0.64 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.67 1iru h LEU 186 CO 0.04 0.38 -0.33 0.00 -0.34 0.00 0.00 178.44 178.19 1iru h THR 187 N 0.00 0.31 0.00 1.05 1.03 -0.53 -0.66 112.91 114.10 1iru h THR 187 Ca -0.09 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1iru h THR 187 Cb 1.37 0.33 0.00 0.00 -1.07 0.00 0.00 68.15 68.77 1iru h THR 187 CO 0.03 0.01 0.00 -0.38 -0.01 0.00 0.00 175.52 175.17 1iru n ILE 188 N -5.47 1.39 -0.06 0.00 -0.00 -1.13 -2.37 119.36 111.71 1iru n ILE 188 Ca -0.14 0.35 -0.07 0.00 -0.00 0.00 0.00 62.75 62.89 1iru n ILE 188 Cb 0.38 -1.35 -0.05 0.00 -0.00 0.00 0.00 39.64 38.62 1iru n ILE 188 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 1iru h LYS 189 N 0.00 0.00 -0.97 0.38 1.57 -1.23 -3.13 116.57 113.19 1iru h LYS 189 Ca 0.00 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.03 1iru h LYS 189 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.18 1iru h LYS 189 CO 0.00 0.41 0.52 1.25 -0.57 0.00 0.00 179.45 181.06 1iru h LEU 190 N -1.00 0.52 0.09 2.94 5.85 -1.16 0.53 115.31 123.09 1iru h LEU 190 Ca -0.02 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1iru h LEU 190 Cb 0.48 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1iru h LEU 190 CO -0.01 0.02 -0.05 0.58 -0.34 0.00 0.00 178.44 178.64 1iru h VAL 191 N 0.47 0.99 -0.83 1.05 2.07 -1.71 0.34 116.25 118.63 1iru h VAL 191 Ca 0.63 -0.32 0.16 0.00 0.82 0.00 0.00 66.70 68.00 1iru h VAL 191 Cb 1.25 1.20 -0.10 0.00 -1.52 0.00 0.00 31.29 32.12 1iru h VAL 191 CO -0.52 0.08 0.38 0.40 0.02 0.00 0.00 177.57 177.93 1iru h ILE 192 N -0.27 0.65 0.07 4.57 5.03 -0.05 0.30 117.51 127.81 1iru h ILE 192 Ca -0.01 -0.18 -0.00 0.00 -0.12 0.00 0.00 64.86 64.55 1iru h ILE 192 Cb 0.23 0.09 0.00 0.00 -3.03 0.00 0.00 36.82 34.10 1iru h ILE 192 CO 0.02 0.09 -0.03 0.07 -0.68 0.00 0.00 178.15 177.62 1iru h LYS 193 N 0.52 -0.09 -0.15 2.37 2.10 -0.21 -2.30 116.57 118.82 1iru h LYS 193 Ca 0.47 0.01 0.05 0.00 -2.00 0.00 0.00 60.65 59.17 1iru h LYS 193 Cb 0.73 0.02 -0.06 0.00 -0.90 0.00 0.00 32.23 32.02 1iru h LYS 193 CO -0.41 0.35 -0.26 0.00 -2.00 0.00 0.00 179.45 177.13 1iru h ALA 194 N 0.30 -0.24 0.08 0.07 0.00 0.47 0.64 119.26 120.58 1iru h ALA 194 Ca -0.01 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1iru h ALA 194 Cb 0.48 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1iru h ALA 194 CO 0.02 -0.72 -0.43 -0.07 0.00 0.00 0.00 179.25 178.04 1iru h LEU 195 N -0.32 -1.30 -1.66 0.00 4.07 -0.50 -1.34 115.31 114.26 1iru h LEU 195 Ca 0.11 0.15 0.09 0.00 0.08 0.00 0.00 57.88 58.30 1iru h LEU 195 Cb 0.48 0.49 -0.03 0.00 1.08 0.00 0.00 40.66 42.68 1iru h LEU 195 CO -0.33 -0.49 0.37 -0.07 -1.08 0.00 0.00 178.44 176.84 1iru h LEU 196 N -0.64 0.35 -1.26 1.67 4.07 -0.83 0.80 115.31 119.47 1iru h LEU 196 Ca 0.03 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1iru h LEU 196 Cb 0.68 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1iru h LEU 196 CO -0.27 0.22 0.00 -1.84 -1.08 0.00 0.00 178.44 175.46 1iru n GLU 197 N -4.47 0.23 0.00 1.13 0.28 0.22 -2.11 120.64 115.92 1iru n GLU 197 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1iru n GLU 197 Cb 0.34 -1.19 0.00 0.00 1.43 0.00 0.00 31.44 32.02 1iru n GLU 197 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1iru n VAL 198 N 0.51 0.00 -2.46 3.84 3.14 -0.95 -4.80 118.33 117.62 1iru n VAL 198 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 1iru n VAL 198 Cb 0.07 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.82 1iru n VAL 198 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1iru s VAL 199 N 0.00 4.17 0.66 1.55 -7.23 0.27 -4.99 120.40 114.83 1iru s VAL 199 Ca 0.00 1.54 -0.17 0.00 -1.81 0.00 0.00 61.98 61.54 1iru s VAL 199 Cb 0.00 -3.99 -0.10 0.00 0.56 0.00 0.00 36.38 32.85 1iru s VAL 199 CO 0.00 0.09 0.14 1.67 -0.31 0.00 0.00 175.10 176.69 1iru n GLN 200 N 4.29 0.20 -2.07 4.82 7.27 -1.26 -4.75 117.38 125.87 1iru n GLN 200 Ca 0.09 0.09 -0.40 0.00 0.07 0.00 0.00 57.00 56.85 1iru n GLN 200 Cb 0.47 -1.43 -0.02 0.00 2.41 0.00 0.00 30.24 31.67 1iru n GLN 200 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1iru s SER 201 N -1.21 6.63 0.00 1.69 0.01 -1.26 -4.19 113.70 115.37 1iru s SER 201 Ca 0.60 2.71 0.00 0.00 1.31 0.00 0.00 55.95 60.57 1iru s SER 201 Cb -0.39 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.19 1iru s SER 201 CO 0.63 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 174.26 1iru n GLY 202 N 0.73 4.40 4.18 3.44 0.00 -1.26 -4.83 105.19 111.85 1iru n GLY 202 Ca 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1iru n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iru n GLY 203 N 0.00 2.35 0.25 -0.02 0.00 -1.26 -4.65 105.19 101.86 1iru n GLY 203 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1iru n GLY 203 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1iru n LYS 204 N -1.30 1.15 0.00 1.61 -0.00 -1.26 -2.32 118.16 116.04 1iru n LYS 204 Ca 0.00 -0.17 0.07 0.00 -0.00 0.00 0.00 58.31 58.20 1iru n LYS 204 Cb 0.00 -1.21 0.01 0.00 -0.00 0.00 0.00 35.03 33.83 1iru n LYS 204 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1iru n ASN 205 N -0.23 1.56 -4.91 -5.58 3.02 -1.26 -4.27 115.26 103.60 1iru n ASN 205 Ca 0.02 -1.28 -0.20 0.00 -0.03 0.00 0.00 54.58 53.08 1iru n ASN 205 Cb 0.13 0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 39.66 1iru n ASN 205 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1iru s ILE 206 N -1.55 3.16 -0.46 2.41 -1.09 -0.98 -1.02 121.20 121.67 1iru s ILE 206 Ca 0.12 -1.25 0.05 0.00 -2.23 0.00 0.00 60.65 57.34 1iru s ILE 206 Cb 0.11 -3.11 0.27 0.00 -1.58 0.00 0.00 42.46 38.15 1iru s ILE 206 CO 0.30 -0.07 1.01 -0.62 -1.23 0.00 0.00 174.94 174.33 1iru n GLU 207 N -1.56 0.75 -1.57 2.79 1.02 -1.23 -4.95 120.64 115.90 1iru n GLU 207 Ca 0.02 -1.64 -0.30 0.00 -0.02 0.00 0.00 57.16 55.22 1iru n GLU 207 Cb 0.60 -1.17 0.23 0.00 -0.02 0.00 0.00 31.44 31.08 1iru n GLU 207 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1iru s LEU 208 N -1.10 1.81 0.00 -4.62 2.01 -1.26 -3.62 118.68 111.91 1iru s LEU 208 Ca 0.28 0.31 0.00 0.00 0.01 0.00 0.00 54.13 54.74 1iru s LEU 208 Cb 0.25 -2.13 0.00 0.00 0.01 0.00 0.00 46.19 44.31 1iru s LEU 208 CO -0.18 -3.50 0.00 0.00 1.01 0.00 0.00 176.35 173.68 1iru n ALA 209 N -4.29 0.00 -2.80 4.21 0.00 -0.83 -3.62 120.51 113.18 1iru n ALA 209 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.48 1iru n ALA 209 Cb 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 1iru n ALA 209 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1iru s VAL 210 N -2.00 0.00 -0.01 0.00 -7.23 -0.79 -2.33 120.40 108.04 1iru s VAL 210 Ca 0.00 -1.65 0.04 0.00 -1.81 0.00 0.00 61.98 58.56 1iru s VAL 210 Cb 0.00 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 1iru s VAL 210 CO 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 175.10 174.66 1iru s MET 211 N -3.76 1.11 0.29 4.82 0.00 -1.15 -1.13 119.30 119.48 1iru s MET 211 Ca 0.30 -0.46 -0.14 0.00 0.00 0.00 0.00 55.69 55.38 1iru s MET 211 Cb 0.02 -1.06 -0.09 0.00 0.00 0.00 0.00 34.83 33.70 1iru s MET 211 CO 0.14 0.26 0.69 1.03 0.00 0.00 0.00 175.02 177.14 1iru s ARG 212 N -0.23 3.98 0.00 3.16 0.52 -1.24 -3.22 118.95 121.91 1iru s ARG 212 Ca 0.04 0.60 0.00 0.00 -0.52 0.00 0.00 55.73 55.85 1iru s ARG 212 Cb -0.06 -2.52 0.00 0.00 0.52 0.00 0.00 34.95 32.89 1iru s ARG 212 CO -0.00 0.22 0.00 0.54 0.02 0.00 0.00 175.30 176.07 1iru n ARG 213 N -0.21 0.00 0.00 3.54 5.12 -1.09 -2.79 116.66 121.24 1iru n ARG 213 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1iru n ARG 213 Cb 0.53 -0.93 0.00 0.00 -1.16 0.00 0.00 32.46 30.90 1iru n ARG 213 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1iru n ASP 214 N 0.43 0.00 -4.90 0.55 -0.08 -1.26 -5.03 116.55 106.26 1iru n ASP 214 Ca 0.00 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.99 1iru n ASP 214 Cb 0.00 0.00 0.08 0.00 2.34 0.00 0.00 41.12 43.54 1iru n ASP 214 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1iru s GLN 215 N -0.11 2.24 0.00 -0.67 0.74 -1.12 -5.07 119.66 115.67 1iru s GLN 215 Ca 0.00 0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.61 1iru s GLN 215 Cb 0.00 -1.98 0.00 0.00 1.10 0.00 0.00 33.01 32.13 1iru s GLN 215 CO 0.00 -1.42 0.00 0.45 -0.55 0.00 0.00 175.29 173.77 1iru n SER 216 N -3.21 -0.37 -4.94 6.67 2.88 -1.26 -4.12 113.62 109.27 1iru n SER 216 Ca 0.08 -0.03 -0.26 0.00 -1.33 0.00 0.00 58.87 57.33 1iru n SER 216 Cb 0.60 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.03 1iru n SER 216 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1iru s LEU 217 N 0.00 4.25 -0.14 2.46 2.96 -1.26 -3.66 118.68 123.30 1iru s LEU 217 Ca 0.00 0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 54.18 1iru s LEU 217 Cb 0.00 -3.08 0.05 0.00 0.50 0.00 0.00 46.19 43.66 1iru s LEU 217 CO 0.00 -0.04 0.07 -1.59 -1.32 0.00 0.00 176.35 173.47 1iru s LYS 218 N -3.43 0.17 -0.53 1.98 -2.85 -0.28 -5.01 119.74 109.78 1iru s LYS 218 Ca 0.37 -0.02 -0.21 0.00 -1.00 0.00 0.00 55.97 55.11 1iru s LYS 218 Cb -0.11 -1.51 0.05 0.00 -2.06 0.00 0.00 37.83 34.20 1iru s LYS 218 CO 0.29 -0.56 0.77 0.42 0.10 0.00 0.00 175.35 176.38 1iru s ILE 219 N 2.09 4.65 0.52 3.79 1.01 -1.26 -1.88 121.20 130.11 1iru s ILE 219 Ca 0.02 -0.12 -0.21 0.00 0.00 0.00 0.00 60.65 60.34 1iru s ILE 219 Cb -0.15 -4.41 -0.08 0.00 0.01 0.00 0.00 42.46 37.84 1iru s ILE 219 CO -0.07 -0.95 0.99 0.18 0.00 0.00 0.00 174.94 175.09 1iru n LEU 220 N 6.78 3.19 -4.84 2.97 4.77 -1.24 -4.99 117.00 123.63 1iru n LEU 220 Ca -0.03 0.92 -0.34 0.00 -0.03 0.00 0.00 56.01 56.53 1iru n LEU 220 Cb 0.46 -1.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.12 1iru n LEU 220 CO 0.58 -1.66 0.38 0.54 -1.33 0.00 0.00 177.39 175.90 1iru s ASN 221 N -0.98 6.86 0.47 -1.43 4.22 -1.26 -4.88 114.94 117.94 1iru s ASN 221 Ca 0.69 1.26 0.21 0.00 -2.14 0.00 0.00 52.86 52.89 1iru s ASN 221 Cb -0.48 -2.36 1.17 0.00 1.28 0.00 0.00 41.25 40.86 1iru s ASN 221 CO 0.52 -0.08 1.61 1.55 -2.04 0.00 0.00 177.10 178.66 1iru h PRO 222 N 2.83 0.00 0.25 3.55 0.13 -1.98 -1.50 132.00 135.28 1iru h PRO 222 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1iru h PRO 222 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1iru h PRO 222 CO 0.66 0.00 -0.12 0.93 -0.23 0.00 0.00 178.00 179.24 1iru h GLU 223 N 0.00 -0.33 0.00 0.86 3.07 -2.00 -2.00 114.58 114.18 1iru h GLU 223 Ca 0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1iru h GLU 223 Cb 0.56 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1iru h GLU 223 CO 0.00 -0.22 0.09 -0.85 -1.40 0.00 0.00 179.01 176.63 1iru n GLU 224 N -4.36 0.03 -0.02 2.33 0.28 -0.65 -1.35 120.64 116.90 1iru n GLU 224 Ca -0.04 0.46 -0.01 0.00 -0.16 0.00 0.00 57.16 57.40 1iru n GLU 224 Cb 0.13 -1.68 -0.01 0.00 1.43 0.00 0.00 31.44 31.32 1iru n GLU 224 CO 0.00 0.00 0.00 -0.84 -0.16 0.00 0.00 177.13 176.13 1iru h ILE 225 N 0.00 0.05 -0.25 3.84 -2.65 -1.21 -2.82 117.51 114.47 1iru h ILE 225 Ca 0.00 -0.99 0.07 0.00 1.03 0.00 0.00 64.86 64.97 1iru h ILE 225 Cb 0.19 0.10 -0.01 0.00 -2.05 0.00 0.00 36.82 35.05 1iru h ILE 225 CO 0.00 0.02 0.20 -0.33 0.03 0.00 0.00 178.15 178.07 1iru h GLU 226 N -1.02 0.00 0.39 0.16 3.07 -0.44 0.63 114.58 117.38 1iru h GLU 226 Ca -0.01 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1iru h GLU 226 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1iru h GLU 226 CO 0.01 0.00 -0.19 0.87 -1.40 0.00 0.00 179.01 178.30 1iru h LYS 227 N 0.00 -0.51 0.00 2.33 1.57 -1.51 -0.82 116.57 117.63 1iru h LYS 227 Ca 0.12 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1iru h LYS 227 Cb 0.52 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1iru h LYS 227 CO -0.00 -0.20 0.00 2.48 -0.57 0.00 0.00 179.45 181.15 1iru n TYR 228 N -5.16 0.73 1.12 -1.35 -0.00 -0.93 -0.13 117.16 111.44 1iru n TYR 228 Ca -0.09 0.28 0.12 0.00 -0.00 0.00 0.00 57.90 58.21 1iru n TYR 228 Cb 0.28 -0.96 0.35 0.00 -0.00 0.00 0.00 39.34 39.02 1iru n TYR 228 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.86 178.41 1iru n VAL 229 N -2.16 0.19 -0.00 -3.48 3.14 0.22 -3.83 118.33 112.40 1iru n VAL 229 Ca 0.02 -0.41 -0.00 0.00 -2.96 0.00 0.00 64.34 60.99 1iru n VAL 229 Cb 0.23 0.62 -0.00 0.00 -1.06 0.00 0.00 33.84 33.63 1iru n VAL 229 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1iru n ALA 230 N 0.59 1.99 0.04 1.55 0.00 -0.32 -3.41 120.51 120.94 1iru n ALA 230 Ca 0.17 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.61 1iru n ALA 230 Cb 0.41 0.43 0.12 0.00 0.00 0.00 0.00 19.45 20.41 1iru n ALA 230 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1iru n GLU 231 N -2.38 0.03 0.00 0.00 1.02 0.82 -1.27 120.64 118.86 1iru n GLU 231 Ca -0.01 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 1iru n GLU 231 Cb 0.51 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1iru n GLU 231 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1iru n ILE 232 N -1.65 0.00 -0.05 -3.67 -5.35 -1.25 -3.85 119.36 103.55 1iru n ILE 232 Ca -0.00 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.47 1iru n ILE 232 Cb 0.03 0.19 0.26 0.00 -1.74 0.00 0.00 39.64 38.38 1iru n ILE 232 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1iru h GLU 233 N 0.00 0.63 0.00 6.28 3.07 -1.26 0.28 114.58 123.59 1iru h GLU 233 Ca 0.00 -0.13 -0.22 0.00 -0.50 0.00 0.00 59.36 58.51 1iru h GLU 233 Cb 0.09 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 27.86 1iru h GLU 233 CO 0.00 0.62 -1.78 1.63 -1.40 0.00 0.00 179.01 178.07 1iru n LYS 234 N -4.28 0.64 0.17 2.33 4.01 -0.39 -3.68 118.16 116.96 1iru n LYS 234 Ca 0.02 0.13 0.13 0.00 -0.51 0.00 0.00 58.31 58.08 1iru n LYS 234 Cb 0.23 -1.70 0.56 0.00 -0.51 0.00 0.00 35.03 33.62 1iru n LYS 234 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 1iru h GLU 235 N 0.00 0.00 -0.90 1.97 4.11 -1.55 0.50 114.58 118.71 1iru h GLU 235 Ca -0.27 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 58.94 1iru h GLU 235 Cb 1.76 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.88 1iru h GLU 235 CO 0.04 0.00 0.28 0.36 0.07 0.00 0.00 179.01 179.77 1iru n LYS 236 N -2.45 2.47 0.00 1.06 0.00 0.95 -3.47 118.16 116.72 1iru n LYS 236 Ca 0.01 -2.04 0.00 0.00 -0.00 0.00 0.00 58.31 56.28 1iru n LYS 236 Cb 0.22 -1.87 0.00 0.00 -0.00 0.00 0.00 35.03 33.39 1iru n LYS 236 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1iru n GLU 237 N -0.24 4.84 0.00 -1.58 4.71 0.10 -4.33 120.64 124.15 1iru n GLU 237 Ca 0.32 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.52 1iru n GLU 237 Cb 1.14 -0.41 0.25 0.00 -1.01 0.00 0.00 31.44 31.41 1iru n GLU 237 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1iru n GLU 238 N -0.01 1.00 0.00 3.49 1.02 -0.80 -0.68 120.64 124.66 1iru n GLU 238 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1iru n GLU 238 Cb 0.00 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1iru n GLU 238 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1iru n ASN 239 N -0.63 0.00 0.00 1.62 2.04 -1.26 -4.70 115.26 112.33 1iru n ASN 239 Ca 0.06 -0.77 0.00 0.00 -0.44 0.00 0.00 54.58 53.44 1iru n ASN 239 Cb 0.03 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.28 1iru n ASN 239 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 1iru n GLU 240 N 0.00 4.24 -0.03 -3.83 0.28 -1.20 -4.48 120.64 115.62 1iru n GLU 240 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1iru n GLU 240 Cb 0.19 -0.49 0.00 0.00 1.43 0.00 0.00 31.44 32.57 1iru n GLU 240 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1iru n LYS 241 N -0.83 0.71 -1.35 3.44 0.00 0.15 -4.41 118.16 115.87 1iru n LYS 241 Ca 0.00 -0.80 0.01 0.00 -0.00 0.00 0.00 58.31 57.53 1iru n LYS 241 Cb 0.00 -0.63 -0.00 0.00 -0.00 0.00 0.00 35.03 34.40 1iru n LYS 241 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1iru n LYS 242 N -0.14 0.00 0.00 -1.58 4.01 -0.40 -4.80 118.16 115.25 1iru n LYS 242 Ca 0.00 -1.73 0.00 0.00 -0.51 0.00 0.00 58.31 56.07 1iru n LYS 242 Cb 0.46 0.10 0.00 0.00 -0.51 0.00 0.00 35.03 35.07 1iru n LYS 242 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1iru n LYS 243 N 0.37 0.00 0.00 1.97 2.85 -1.26 -4.70 118.16 117.38 1iru n LYS 243 Ca -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 1iru n LYS 243 Cb 1.03 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.41 1iru n LYS 243 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35