#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 2.68 -2.26 7.33 5.04 -1.26 -4.92 117.35 123.95 1iru s TYR 3 Ca 0.00 0.79 0.20 0.00 -2.44 0.00 0.00 57.07 55.61 1iru s TYR 3 Cb 0.00 -4.19 0.28 0.00 0.35 0.00 0.00 41.96 38.39 1iru s TYR 3 CO 0.00 -1.57 1.23 -0.25 -1.34 0.00 0.00 175.55 173.62 1iru n ASP 4 N 8.03 2.97 -4.54 4.32 8.00 -1.26 -3.45 116.55 130.62 1iru n ASP 4 Ca 0.14 -1.89 -0.41 0.00 0.71 0.00 0.00 54.79 53.35 1iru n ASP 4 Cb 0.48 -0.12 0.02 0.00 -0.02 0.00 0.00 41.12 41.47 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 1.19 0.91 -2.99 -1.24 3.00 -1.26 -4.14 116.66 112.12 1iru n ARG 5 Ca 0.14 0.33 -0.42 0.00 -0.00 0.00 0.00 57.85 57.90 1iru n ARG 5 Cb 0.52 -1.82 -0.06 0.00 0.00 0.00 0.00 32.46 31.11 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 -1.42 3.38 -0.11 5.13 0.00 -1.26 0.79 121.76 128.27 1iru s ALA 6 Ca 0.65 -0.84 -0.20 0.00 0.00 0.00 0.00 51.96 51.57 1iru s ALA 6 Cb -0.55 -3.37 -0.27 0.00 0.00 0.00 0.00 23.12 18.93 1iru s ALA 6 CO 0.56 -1.64 0.63 0.82 0.00 0.00 0.00 175.76 176.13 1iru h ILE 7 N 5.83 1.23 -3.72 0.00 1.08 -1.82 -3.44 117.51 116.66 1iru h ILE 7 Ca -0.25 -2.40 -0.66 0.00 -0.39 0.00 0.00 64.86 61.15 1iru h ILE 7 Cb 1.09 2.86 -0.20 0.00 -3.07 0.00 0.00 36.82 37.50 1iru h ILE 7 CO 0.92 0.65 -0.54 -0.89 -0.69 0.00 0.00 178.15 177.60 1iru s THR 8 N -2.42 4.88 0.13 -0.27 2.01 -1.26 -4.81 115.64 113.90 1iru s THR 8 Ca -0.19 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 61.64 1iru s THR 8 Cb 0.03 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1iru s THR 8 CO 0.75 0.13 -0.06 0.68 -0.69 0.00 0.00 174.62 175.44 1iru s VAL 9 N 1.67 0.84 0.54 3.82 -7.23 -1.26 -4.84 120.40 113.94 1iru s VAL 9 Ca 0.06 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 58.07 1iru s VAL 9 Cb -0.17 -1.85 -0.06 0.00 0.56 0.00 0.00 36.38 34.86 1iru s VAL 9 CO 0.08 -0.73 1.02 -0.36 -0.31 0.00 0.00 175.10 174.81 1iru s PHE 10 N -3.54 3.17 0.39 2.82 0.40 -1.26 -4.31 117.98 115.65 1iru s PHE 10 Ca 0.17 1.51 0.08 0.00 -0.60 0.00 0.00 56.93 58.09 1iru s PHE 10 Cb 0.05 -2.93 -0.06 0.00 0.51 0.00 0.00 43.02 40.59 1iru s PHE 10 CO -0.01 -0.75 0.10 -1.12 0.70 0.00 0.00 175.22 174.14 1iru s SER 11 N -2.71 4.27 0.24 1.36 0.01 -0.06 -4.90 113.70 111.90 1iru s SER 11 Ca 0.62 -1.08 0.02 0.00 1.31 0.00 0.00 55.95 56.82 1iru s SER 11 Cb -0.14 -0.50 0.60 0.00 0.21 0.00 0.00 66.02 66.19 1iru s SER 11 CO 0.31 -0.42 1.21 -2.65 0.41 0.00 0.00 173.24 172.10 1iru n PRO 12 N -1.10 -0.06 -0.09 12.44 -0.02 -1.26 0.23 135.00 145.14 1iru n PRO 12 Ca -0.03 1.16 0.11 0.00 -2.02 0.00 0.00 63.50 62.73 1iru n PRO 12 Cb 0.64 -1.85 0.33 0.00 -0.02 0.00 0.00 33.50 32.60 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 -5.09 2.20 -0.07 2.55 3.85 -1.26 -4.93 116.55 113.81 1iru n ASP 13 Ca 0.18 -1.78 0.00 0.00 -0.71 0.00 0.00 54.79 52.48 1iru n ASP 13 Cb 0.60 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 40.25 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 1.25 1.27 3.67 6.12 0.00 0.14 -5.10 105.19 112.54 1iru n GLY 14 Ca 0.17 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.13 2.89 -0.84 1.61 3.76 -1.24 -4.81 115.29 114.52 1iru s HIS 15 Ca 0.00 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.80 1iru s HIS 15 Cb 0.00 -1.41 0.20 0.00 1.11 0.00 0.00 32.58 32.48 1iru s HIS 15 CO 0.00 0.51 0.70 -0.51 -0.85 0.00 0.00 174.74 174.58 1iru s LEU 16 N -2.83 5.33 0.25 0.89 1.43 -1.26 -0.89 118.68 121.60 1iru s LEU 16 Ca 0.27 -3.78 -0.06 0.00 -1.03 0.00 0.00 54.13 49.53 1iru s LEU 16 Cb -0.10 -1.83 0.45 0.00 0.03 0.00 0.00 46.19 44.75 1iru s LEU 16 CO 0.19 -0.15 1.64 -0.26 0.23 0.00 0.00 176.35 178.00 1iru h PHE 17 N 5.81 -0.00 -0.20 0.29 -1.00 -1.97 0.25 116.94 120.12 1iru h PHE 17 Ca 0.16 0.05 0.06 0.00 2.81 0.00 0.00 57.97 61.05 1iru h PHE 17 Cb 0.79 0.12 -0.01 0.00 3.61 0.00 0.00 35.95 40.47 1iru h PHE 17 CO 0.71 -0.23 0.26 1.96 -1.61 0.00 0.00 178.31 179.40 1iru h GLN 18 N 0.12 0.00 0.09 1.51 1.08 -1.88 1.03 115.11 117.06 1iru h GLN 18 Ca 0.42 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.41 1iru h GLN 18 Cb 0.75 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1iru h GLN 18 CO -0.65 0.00 -1.08 0.28 -0.95 0.00 0.00 178.83 176.43 1iru h VAL 19 N 0.00 1.22 -0.15 -0.54 2.07 -0.96 -2.60 116.25 115.29 1iru h VAL 19 Ca 0.09 -2.39 -0.03 0.00 0.82 0.00 0.00 66.70 65.20 1iru h VAL 19 Cb 0.62 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 1iru h VAL 19 CO -0.00 0.64 -0.02 -0.33 0.02 0.00 0.00 177.57 177.88 1iru h GLU 20 N -0.51 0.21 -0.20 1.57 5.08 -0.03 0.12 114.58 120.83 1iru h GLU 20 Ca -0.24 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 57.90 1iru h GLU 20 Cb 1.57 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.79 1iru h GLU 20 CO 0.03 0.26 -0.62 1.88 -1.00 0.00 0.00 179.01 179.56 1iru h TYR 21 N 0.21 1.00 -0.41 4.33 0.99 0.91 -1.96 116.97 122.05 1iru h TYR 21 Ca 0.05 -0.40 0.02 0.00 2.00 0.00 0.00 58.73 60.40 1iru h TYR 21 Cb 0.19 -0.17 -0.03 0.00 1.00 0.00 0.00 36.73 37.72 1iru h TYR 21 CO 0.00 1.22 0.22 0.00 -0.00 0.00 0.00 178.16 179.61 1iru h ALA 22 N 0.59 0.51 -0.18 3.88 0.00 -0.85 0.34 119.26 123.54 1iru h ALA 22 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1iru h ALA 22 Cb 1.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1iru h ALA 22 CO 0.13 -0.12 0.14 1.96 0.00 0.00 0.00 179.25 181.35 1iru h GLN 23 N 0.45 0.00 -0.28 0.00 4.20 -0.66 -0.71 115.11 118.10 1iru h GLN 23 Ca 0.17 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.75 1iru h GLN 23 Cb 0.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1iru h GLN 23 CO -0.10 0.00 -0.33 0.93 -0.67 0.00 0.00 178.83 178.66 1iru h GLU 24 N 0.00 0.72 -0.32 1.46 4.39 -0.16 -2.50 114.58 118.17 1iru h GLU 24 Ca 0.09 -0.40 -0.01 0.00 0.34 0.00 0.00 59.36 59.38 1iru h GLU 24 Cb 0.36 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1iru h GLU 24 CO -0.00 1.02 0.17 0.00 -1.16 0.00 0.00 179.01 179.04 1iru h ALA 25 N 0.69 1.70 -0.58 3.43 0.00 -0.28 -0.47 119.26 123.74 1iru h ALA 25 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1iru h ALA 25 Cb 0.91 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1iru h ALA 25 CO 0.08 0.26 0.21 0.28 0.00 0.00 0.00 179.25 180.08 1iru h VAL 26 N 0.44 1.23 -0.51 0.00 2.07 -1.17 -2.83 116.25 115.49 1iru h VAL 26 Ca 0.12 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.91 1iru h VAL 26 Cb 0.02 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1iru h VAL 26 CO -0.02 0.29 0.27 0.11 0.02 0.00 0.00 177.57 178.24 1iru h LYS 27 N 0.81 0.52 -0.41 1.57 1.57 -0.66 -1.14 116.57 118.83 1iru h LYS 27 Ca 0.19 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1iru h LYS 27 Cb 0.24 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1iru h LYS 27 CO -0.01 0.34 0.00 1.63 -0.57 0.00 0.00 179.45 180.84 1iru n LYS 28 N -4.86 0.61 -4.09 3.15 5.02 -0.79 -1.75 118.16 115.44 1iru n LYS 28 Ca 0.04 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.11 1iru n LYS 28 Cb 0.12 -1.21 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 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 -0.71 1.39 0.01 0.72 0.00 -0.43 -4.87 107.32 103.42 1iru s GLY 29 Ca 0.00 -1.39 -0.33 0.00 0.00 0.00 0.00 44.72 43.01 1iru s GLY 29 CO 0.00 -1.42 1.86 1.44 0.00 0.00 0.00 173.10 174.97 1iru n SER 30 N -1.19 3.66 -4.28 1.64 7.64 -1.26 0.17 113.62 120.00 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 0.58 -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 4.93 0.64 -3.66 0.44 -1.04 -1.26 -4.57 114.28 109.76 1iru n THR 31 Ca 0.21 -0.43 -0.07 0.00 -2.04 0.00 0.00 64.05 61.72 1iru n THR 31 Cb 0.33 -0.34 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 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 -2.01 -1.50 0.25 2.41 0.00 0.33 -0.68 121.76 120.54 1iru s ALA 32 Ca 0.55 1.92 0.11 0.00 0.00 0.00 0.00 51.96 54.54 1iru s ALA 32 Cb -0.32 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.39 1iru s ALA 32 CO 0.68 -0.59 -0.21 0.14 0.00 0.00 0.00 175.76 175.78 1iru s VAL 33 N 2.17 2.36 -0.12 0.00 -7.23 -0.92 -0.39 120.40 116.27 1iru s VAL 33 Ca -0.07 -2.27 -0.11 0.00 -1.81 0.00 0.00 61.98 57.72 1iru s VAL 33 Cb -0.10 -2.21 0.03 0.00 0.56 0.00 0.00 36.38 34.66 1iru s VAL 33 CO -0.16 -0.34 0.32 -0.83 -0.31 0.00 0.00 175.10 173.78 1iru s GLY 34 N -3.23 -0.24 -0.02 2.32 0.00 0.12 -2.33 107.32 103.95 1iru s GLY 34 Ca 0.26 0.89 0.03 0.00 0.00 0.00 0.00 44.72 45.90 1iru s GLY 34 CO 0.13 0.76 -0.12 -1.34 0.00 0.00 0.00 173.10 172.53 1iru s VAL 35 N 0.14 0.97 -0.39 1.40 -7.23 -0.77 -0.07 120.40 114.44 1iru s VAL 35 Ca -0.00 -0.50 -0.14 0.00 -1.81 0.00 0.00 61.98 59.53 1iru s VAL 35 Cb -0.02 -0.82 0.02 0.00 0.56 0.00 0.00 36.38 36.11 1iru s VAL 35 CO 0.00 0.28 0.27 -0.60 -0.31 0.00 0.00 175.10 174.74 1iru s ARG 36 N -0.11 2.98 0.00 4.82 3.52 -0.33 -1.99 118.95 127.85 1iru s ARG 36 Ca 0.01 -1.00 0.00 0.00 -0.13 0.00 0.00 55.73 54.61 1iru s ARG 36 Cb -0.07 -3.89 0.00 0.00 -1.56 0.00 0.00 34.95 29.43 1iru s ARG 36 CO 0.00 -0.71 0.00 0.41 -0.81 0.00 0.00 175.30 174.20 1iru n GLY 37 N 5.11 1.42 0.00 8.12 0.00 -1.23 -4.95 105.19 113.65 1iru n GLY 37 Ca -0.11 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 3.03 0.00 1.61 1.74 -1.26 -4.81 116.66 116.97 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 -0.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 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 -0.77 1.16 -3.61 0.55 8.00 -1.26 -4.85 116.55 115.77 1iru n ASP 39 Ca 0.00 -0.17 -0.02 0.00 0.71 0.00 0.00 54.79 55.31 1iru n ASP 39 Cb 0.00 0.57 -0.05 0.00 -0.02 0.00 0.00 41.12 41.61 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 -0.80 -0.52 -0.03 0.53 -1.09 -1.26 -2.69 121.20 115.34 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 0.30 -0.69 -1.23 0.00 0.00 174.94 173.32 1iru s VAL 41 N 2.29 5.23 0.25 2.92 1.01 -1.20 -3.56 120.40 127.35 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 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1iru s VAL 41 CO -0.19 0.54 -0.21 0.54 0.00 0.00 0.00 175.10 175.78 1iru s VAL 42 N -1.12 2.43 -0.15 2.92 0.11 -0.84 -2.99 120.40 120.77 1iru s VAL 42 Ca 0.22 -2.29 -0.15 0.00 -2.93 0.00 0.00 61.98 56.83 1iru s VAL 42 Cb -0.14 -2.24 0.04 0.00 -1.53 0.00 0.00 36.38 32.50 1iru s VAL 42 CO 0.11 -0.31 0.43 -0.76 -3.33 0.00 0.00 175.10 171.24 1iru s LEU 43 N -3.25 0.35 -0.02 2.54 1.02 -0.98 -1.85 118.68 116.51 1iru s LEU 43 Ca 0.27 0.82 -0.01 0.00 0.02 0.00 0.00 54.13 55.23 1iru s LEU 43 Cb -0.06 1.50 0.01 0.00 0.02 0.00 0.00 46.19 47.66 1iru s LEU 43 CO 0.13 -0.18 0.04 -0.83 0.02 0.00 0.00 176.35 175.53 1iru s GLY 44 N 0.10 -0.02 -0.35 -3.19 0.00 -0.98 -1.96 107.32 100.91 1iru s GLY 44 Ca -0.01 0.13 -0.11 0.00 0.00 0.00 0.00 44.72 44.73 1iru s GLY 44 CO 0.01 0.16 0.19 0.54 0.00 0.00 0.00 173.10 174.00 1iru s VAL 45 N 0.14 4.63 0.00 1.40 0.11 -1.24 -2.16 120.40 123.28 1iru s VAL 45 Ca -0.01 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 1iru s VAL 45 Cb -0.02 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.33 1iru s VAL 45 CO -0.00 -0.12 0.00 -1.84 -3.33 0.00 0.00 175.10 169.80 1iru n GLU 46 N 5.00 1.64 0.00 1.54 0.00 0.14 -3.47 120.64 125.48 1iru n GLU 46 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.04 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 0.87 -3.54 -1.58 5.02 -0.16 -4.79 118.16 113.97 1iru n LYS 48 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1iru n LYS 48 Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 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 -0.26 -1.18 -4.48 4.39 3.41 -1.26 -4.62 113.62 109.61 1iru n SER 49 Ca 0.00 -0.34 -0.15 0.00 -0.26 0.00 0.00 58.87 58.13 1iru n SER 49 Cb 0.09 -0.43 -0.11 0.00 -0.26 0.00 0.00 64.21 63.49 1iru n SER 49 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1iru n VAL 50 N -1.79 0.00 1.11 -3.33 0.24 -1.26 -4.68 118.33 108.62 1iru n VAL 50 Ca -0.05 -0.03 0.08 0.00 -2.04 0.00 0.00 64.34 62.30 1iru n VAL 50 Cb 0.16 -1.87 0.48 0.00 -1.47 0.00 0.00 33.84 31.15 1iru n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1iru n ALA 51 N 18.49 2.15 0.00 2.33 0.00 -1.26 -4.85 120.51 137.37 1iru n ALA 51 Ca 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1iru n ALA 51 Cb 0.47 -1.26 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 -0.96 0.00 0.00 0.00 4.76 -1.26 -4.00 118.16 116.70 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 0.39 0.00 -1.84 0.00 0.00 35.03 33.38 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 -4.64 117.00 118.74 1iru n LEU 53 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 56.01 56.27 1iru n LEU 53 Cb 0.00 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.04 1iru n LEU 53 CO 0.00 -0.13 0.00 0.00 -1.51 0.00 0.00 177.39 175.75 1iru n GLN 54 N -1.27 3.21 -2.95 3.23 -0.00 -1.26 -5.09 117.38 113.26 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 -0.88 0.00 2.61 -1.08 -1.26 -5.09 116.67 109.63 1iru s ASP 55 Ca 0.00 -0.48 0.00 0.00 -0.52 0.00 0.00 52.55 51.55 1iru s ASP 55 Cb 0.00 1.12 0.00 0.00 -1.46 0.00 0.00 42.92 42.58 1iru s ASP 55 CO 0.00 -0.09 0.01 -1.84 0.52 0.00 0.00 175.17 173.76 1iru n GLU 56 N 3.94 0.00 -0.32 4.34 -0.00 -1.26 -1.54 120.64 125.79 1iru n GLU 56 Ca 0.08 0.01 -0.06 0.00 -0.00 0.00 0.00 57.16 57.19 1iru n GLU 56 Cb 0.60 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.44 32.02 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 58.84 1iru h ARG 57 Cb 0.00 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 29.97 1iru h ARG 57 CO 0.00 -0.05 0.03 0.25 -3.11 0.00 0.00 179.97 177.08 1iru n THR 58 N -5.40 1.15 0.00 0.20 -2.24 -0.59 -3.20 114.28 104.20 1iru n THR 58 Ca 0.05 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1iru n THR 58 Cb 0.35 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 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 2.15 0.00 -2.16 2.28 3.14 -1.10 -4.97 118.33 117.67 1iru n VAL 59 Ca 0.08 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.03 1iru n VAL 59 Cb 0.32 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.07 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 3.92 0.00 1.45 0.52 -1.19 -4.84 118.95 118.81 1iru s ARG 60 Ca 0.00 1.71 0.00 0.00 -0.52 0.00 0.00 55.73 56.92 1iru s ARG 60 Cb 0.00 -3.98 0.00 0.00 0.52 0.00 0.00 34.95 31.49 1iru s ARG 60 CO 0.00 -1.14 0.26 0.36 0.02 0.00 0.00 175.30 174.81 1iru n LYS 61 N 7.42 0.40 -4.94 3.54 -0.00 -1.26 -4.59 118.16 118.73 1iru n LYS 61 Ca 0.18 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.20 1iru n LYS 61 Cb 0.45 -1.23 -0.17 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 -0.49 1.61 0.04 0.58 1.09 -1.26 -3.21 121.20 119.57 1iru s ILE 62 Ca 0.00 -0.79 -0.06 0.00 -1.10 0.00 0.00 60.65 58.70 1iru s ILE 62 Cb 0.00 -1.40 -0.01 0.00 -1.06 0.00 0.00 42.46 39.99 1iru s ILE 62 CO 0.00 0.46 0.12 0.00 -0.10 0.00 0.00 174.94 175.42 1iru s ALA 64 N -2.83 3.52 -0.23 0.00 0.00 -1.26 0.68 121.76 121.64 1iru s ALA 64 Ca -0.03 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 1iru s ALA 64 Cb 0.00 -1.66 -0.13 0.00 0.00 0.00 0.00 23.12 21.34 1iru s ALA 64 CO -0.06 0.61 -0.24 1.28 0.00 0.00 0.00 175.76 177.35 1iru n LEU 65 N 1.99 2.44 0.00 0.00 4.77 -0.89 -4.91 117.00 120.40 1iru n LEU 65 Ca -0.19 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1iru n LEU 65 Cb 0.54 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1iru n LEU 65 CO 0.30 0.72 0.00 -0.67 -1.33 0.00 0.00 177.39 176.41 1iru n ASP 66 N -3.53 0.59 -0.47 -1.43 4.64 -1.03 -4.58 116.55 110.73 1iru n ASP 66 Ca -0.42 -0.31 0.12 0.00 -1.38 0.00 0.00 54.79 52.80 1iru n ASP 66 Cb 0.88 0.00 0.23 0.00 -1.04 0.00 0.00 41.12 41.19 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 -0.75 1.73 0.00 1.67 8.00 -1.26 -4.07 116.55 121.87 1iru n ASP 67 Ca 0.00 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.14 1iru n ASP 67 Cb 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 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 -0.01 0.67 -3.99 -2.24 5.03 -1.26 -4.91 115.26 108.55 1iru n ASN 68 Ca 0.12 -0.96 -0.08 0.00 0.87 0.00 0.00 54.58 54.53 1iru n ASN 68 Cb 0.43 0.04 -0.09 0.00 -1.02 0.00 0.00 39.78 39.13 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 -0.04 0.17 0.29 2.41 1.01 -1.26 -3.95 120.40 119.03 1iru s VAL 69 Ca 0.00 -1.38 -0.20 0.00 0.00 0.00 0.00 61.98 60.40 1iru s VAL 69 Cb 0.00 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.24 1iru s VAL 69 CO 0.00 -0.76 0.73 0.00 0.00 0.00 0.00 175.10 175.07 1iru s MET 71 N -3.69 1.32 0.11 0.00 0.00 0.22 -0.67 119.30 116.59 1iru s MET 71 Ca 0.12 -0.85 0.06 0.00 0.00 0.00 0.00 55.69 55.01 1iru s MET 71 Cb -0.06 0.51 -0.04 0.00 0.00 0.00 0.00 34.83 35.24 1iru s MET 71 CO 0.08 -0.55 -0.14 0.00 0.00 0.00 0.00 175.02 174.41 1iru s ALA 72 N -3.87 1.42 0.20 3.16 0.00 0.37 -0.73 121.76 122.32 1iru s ALA 72 Ca 0.09 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 1iru s ALA 72 Cb -0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 1iru s ALA 72 CO -0.04 0.09 0.14 -0.59 0.00 0.00 0.00 175.76 175.36 1iru s PHE 73 N -2.09 1.16 -0.15 0.00 -0.12 -1.20 -0.36 117.98 115.22 1iru s PHE 73 Ca 0.07 -1.37 -0.05 0.00 -0.05 0.00 0.00 56.93 55.53 1iru s PHE 73 Cb -0.05 -0.55 0.07 0.00 -0.63 0.00 0.00 43.02 41.86 1iru s PHE 73 CO 0.03 -0.65 0.30 0.00 -0.05 0.00 0.00 175.22 174.84 1iru s ALA 74 N -4.14 -0.69 0.00 1.99 0.00 -0.99 -4.86 121.76 113.07 1iru s ALA 74 Ca 0.39 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1iru s ALA 74 Cb 0.07 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 22.08 1iru s ALA 74 CO 0.12 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1iru n GLY 75 N 5.36 0.41 3.63 0.00 0.00 -1.26 -2.31 105.19 111.02 1iru n GLY 75 Ca -0.07 -1.43 -0.44 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 3.62 0.03 0.99 4.77 -0.17 -4.86 117.00 121.38 1iru n LEU 76 Ca 0.00 0.60 -0.11 0.00 -0.03 0.00 0.00 56.01 56.47 1iru n LEU 76 Cb 0.00 -1.51 -0.05 0.00 -2.33 0.00 0.00 43.42 39.54 1iru n LEU 76 CO 0.00 -0.23 0.64 0.00 -1.33 0.00 0.00 177.39 176.47 1iru h THR 77 N 6.31 0.28 -0.70 -5.08 1.03 -1.97 -2.78 112.91 110.01 1iru h THR 77 Ca -0.45 0.00 0.10 0.00 -0.01 0.00 0.00 66.41 66.05 1iru h THR 77 Cb 1.25 0.28 -0.08 0.00 -1.07 0.00 0.00 68.15 68.53 1iru h THR 77 CO 0.95 0.00 0.32 0.00 -0.01 0.00 0.00 175.52 176.78 1iru h ALA 78 N 0.33 0.96 0.06 0.00 0.00 -1.99 -2.34 119.26 116.27 1iru h ALA 78 Ca 0.08 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1iru h ALA 78 Cb 0.56 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1iru h ALA 78 CO -0.32 -0.11 -0.14 -0.44 0.00 0.00 0.00 179.25 178.25 1iru h ASP 79 N 0.53 -0.38 -0.75 0.00 3.45 -1.90 -2.59 116.42 114.79 1iru h ASP 79 Ca 0.35 0.05 0.17 0.00 0.43 0.00 0.00 57.03 58.03 1iru h ASP 79 Cb 0.42 0.15 -0.13 0.00 -0.56 0.00 0.00 39.33 39.21 1iru h ASP 79 CO -0.30 -0.20 -0.00 0.00 -1.57 0.00 0.00 179.24 177.17 1iru h ALA 80 N 0.64 0.77 -0.00 3.45 0.00 -1.16 -0.65 119.26 122.31 1iru h ALA 80 Ca 0.03 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1iru h ALA 80 Cb 0.29 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1iru h ALA 80 CO -0.09 -0.42 -0.50 -0.09 0.00 0.00 0.00 179.25 178.14 1iru h ARG 81 N 0.10 -0.62 -0.42 0.00 2.43 -1.19 0.72 114.38 115.40 1iru h ARG 81 Ca 0.41 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.71 1iru h ARG 81 Cb 0.72 0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 30.31 1iru h ARG 81 CO -0.67 -0.42 -0.29 0.82 -1.51 0.00 0.00 179.97 177.91 1iru h ILE 82 N -0.65 0.27 -0.72 1.20 1.08 -0.99 -0.28 117.51 117.43 1iru h ILE 82 Ca 0.02 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.46 1iru h ILE 82 Cb 0.71 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 1iru h ILE 82 CO -0.35 0.00 0.30 0.58 -0.69 0.00 0.00 178.15 177.99 1iru h VAL 83 N -0.21 1.24 0.90 1.67 2.07 -0.64 -1.96 116.25 119.32 1iru h VAL 83 Ca 0.19 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 1iru h VAL 83 Cb 0.51 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1iru h VAL 83 CO -0.54 0.30 -0.45 0.40 0.02 0.00 0.00 177.57 177.30 1iru h ILE 84 N 1.03 0.08 0.00 4.57 5.03 0.18 -2.22 117.51 126.18 1iru h ILE 84 Ca 0.24 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.98 1iru h ILE 84 Cb 0.17 0.08 0.00 0.00 -3.03 0.00 0.00 36.82 34.04 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 -5.63 0.00 0.01 1.72 3.02 -0.25 -1.35 115.26 112.79 1iru n ASN 85 Ca -0.16 0.30 -0.16 0.00 -0.03 0.00 0.00 54.58 54.54 1iru n ASN 85 Cb 0.49 -0.38 -0.14 0.00 -0.61 0.00 0.00 39.78 39.15 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 0.17 -0.15 3.52 3.08 -0.95 -3.11 114.38 116.94 1iru h ARG 86 Ca 0.00 -0.29 -0.15 0.00 0.07 0.00 0.00 59.98 59.60 1iru h ARG 86 Cb 0.11 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1iru h ARG 86 CO 0.00 0.95 -0.56 0.00 -1.07 0.00 0.00 179.97 179.29 1iru h ALA 87 N 0.49 0.75 -0.30 0.04 0.00 -0.73 -1.30 119.26 118.22 1iru h ALA 87 Ca -0.33 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.09 1iru h ALA 87 Cb 2.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 1iru h ALA 87 CO 0.10 0.69 0.13 0.00 0.00 0.00 0.00 179.25 180.17 1iru h ARG 88 N 0.36 0.27 -0.09 0.00 3.08 -1.31 0.42 114.38 117.10 1iru h ARG 88 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1iru h ARG 88 Cb 1.08 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 1iru h ARG 88 CO 0.10 0.18 0.05 0.28 -1.07 0.00 0.00 179.97 179.50 1iru h VAL 89 N 0.27 1.09 -0.37 2.04 2.07 -1.44 -2.24 116.25 117.68 1iru h VAL 89 Ca 0.13 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.44 1iru h VAL 89 Cb 0.07 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1iru h VAL 89 CO -0.11 0.08 0.25 -0.08 0.02 0.00 0.00 177.57 177.73 1iru h GLU 90 N 0.04 0.23 -0.25 1.57 4.57 -0.91 -1.20 114.58 118.63 1iru h GLU 90 Ca 0.03 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1iru h GLU 90 Cb 0.09 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1iru h GLU 90 CO -0.00 0.15 0.15 0.00 -1.18 0.00 0.00 179.01 178.13 1iru h GLN 92 N 0.31 0.13 0.00 0.00 1.08 -1.23 -3.08 115.11 112.31 1iru h GLN 92 Ca 0.09 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1iru h GLN 92 Cb 0.04 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1iru h GLN 92 CO -0.02 0.74 0.00 0.77 -0.95 0.00 0.00 178.83 179.38 1iru h SER 93 N 0.09 0.00 1.07 1.46 0.02 -0.96 -2.27 113.55 112.97 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 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1iru h SER 93 CO 0.10 0.00 0.00 1.57 -1.14 0.00 0.00 176.83 177.36 1iru n HIS 94 N -3.09 0.56 0.04 3.45 -0.00 -0.26 -2.46 115.22 113.46 1iru n HIS 94 Ca 0.02 0.18 0.09 0.00 -0.00 0.00 0.00 57.72 58.01 1iru n HIS 94 Cb 0.42 -0.80 -0.09 0.00 -0.00 0.00 0.00 29.99 29.53 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 -1.98 0.63 0.05 1.57 1.74 -0.87 -2.87 116.66 114.94 1iru n ARG 95 Ca 0.05 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.97 1iru n ARG 95 Cb 0.33 -1.69 -0.14 0.00 -1.02 0.00 0.00 32.46 29.94 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 0.32 0.04 0.55 3.38 -1.35 -3.35 115.31 114.90 1iru h LEU 96 Ca -0.05 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 1iru h LEU 96 Cb 1.14 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1iru h LEU 96 CO 0.01 1.39 -0.02 0.71 0.09 0.00 0.00 178.44 180.62 1iru h THR 97 N 0.06 1.24 -1.00 0.22 1.35 -1.66 -3.45 112.91 109.66 1iru h THR 97 Ca -0.25 -1.70 -0.49 0.00 -0.55 0.00 0.00 66.41 63.42 1iru h THR 97 Cb 2.00 2.25 0.01 0.00 -1.73 0.00 0.00 68.15 70.67 1iru h THR 97 CO 0.14 0.38 -0.21 -0.69 -0.25 0.00 0.00 175.52 174.90 1iru s VAL 98 N -2.64 2.33 -0.16 6.82 1.01 -1.14 -5.06 120.40 121.57 1iru s VAL 98 Ca -0.14 -1.13 0.07 0.00 0.00 0.00 0.00 61.98 60.78 1iru s VAL 98 Cb -0.01 -2.46 -0.14 0.00 0.00 0.00 0.00 36.38 33.76 1iru s VAL 98 CO 0.53 0.00 -0.05 1.21 0.00 0.00 0.00 175.10 176.78 1iru n GLU 99 N -1.98 1.09 -0.86 2.72 2.13 -1.26 -4.10 120.64 118.39 1iru n GLU 99 Ca 0.09 0.05 -0.29 0.00 0.66 0.00 0.00 57.16 57.67 1iru n GLU 99 Cb 0.61 -1.35 0.19 0.00 0.27 0.00 0.00 31.44 31.16 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 -5.21 2.33 1.01 4.31 1.01 -1.26 -4.83 116.67 114.02 1iru s ASP 100 Ca -0.15 1.60 -0.03 0.00 0.71 0.00 0.00 52.55 54.68 1iru s ASP 100 Cb 0.05 -2.27 0.04 0.00 1.01 0.00 0.00 42.92 41.76 1iru s ASP 100 CO 0.49 -3.38 0.24 -0.81 0.21 0.00 0.00 175.17 171.92 1iru n PRO 101 N -4.38 -0.43 -3.24 8.23 -0.04 -1.26 -4.36 135.00 129.52 1iru n PRO 101 Ca 0.06 -0.37 -0.39 0.00 -0.04 0.00 0.00 63.50 62.76 1iru n PRO 101 Cb 0.54 -0.26 -0.06 0.00 -0.04 0.00 0.00 33.50 33.69 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 -1.51 4.82 0.83 0.52 1.01 -1.26 -4.94 120.40 119.88 1iru s VAL 102 Ca 0.14 1.23 -0.12 0.00 0.00 0.00 0.00 61.98 63.23 1iru s VAL 102 Cb -0.01 -3.92 0.11 0.00 0.00 0.00 0.00 36.38 32.57 1iru s VAL 102 CO 0.10 0.49 1.19 0.42 0.00 0.00 0.00 175.10 177.29 1iru s THR 103 N -0.64 2.05 0.01 3.92 -4.23 -1.26 -4.96 115.64 110.53 1iru s THR 103 Ca 0.30 -0.06 -0.26 0.00 -1.18 0.00 0.00 61.69 60.48 1iru s THR 103 Cb -0.19 -2.98 -0.15 0.00 1.34 0.00 0.00 72.50 70.51 1iru s THR 103 CO 0.18 0.00 1.18 0.58 -0.54 0.00 0.00 174.62 176.02 1iru h VAL 104 N -1.13 0.26 0.28 2.29 2.07 -1.94 -3.27 116.25 114.80 1iru h VAL 104 Ca -0.45 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1iru h VAL 104 Cb 1.30 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1iru h VAL 104 CO 0.57 0.04 -0.13 -0.08 0.02 0.00 0.00 177.57 177.98 1iru h GLU 105 N -1.06 -0.36 -0.63 1.57 4.81 -1.99 -3.27 114.58 113.66 1iru h GLU 105 Ca -0.08 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1iru h GLU 105 Cb 0.65 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.03 1iru h GLU 105 CO 0.13 -0.02 -0.36 0.98 -0.73 0.00 0.00 179.01 179.02 1iru n TYR 106 N -5.04 -0.24 -0.13 0.92 9.36 -1.26 0.94 117.16 121.70 1iru n TYR 106 Ca -0.08 0.78 0.01 0.00 3.32 0.00 0.00 57.90 61.93 1iru n TYR 106 Cb 0.26 -0.57 0.29 0.00 -0.63 0.00 0.00 39.34 38.69 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 1.17 -0.23 2.97 6.09 -1.69 0.74 117.51 126.57 1iru h ILE 107 Ca 0.11 -0.39 -0.05 0.00 -1.37 0.00 0.00 64.86 63.17 1iru h ILE 107 Cb 0.27 0.32 -0.01 0.00 0.47 0.00 0.00 36.82 37.87 1iru h ILE 107 CO -0.59 0.18 -0.05 0.74 -3.07 0.00 0.00 178.15 175.36 1iru h THR 108 N 0.83 1.28 -0.45 2.19 2.02 0.52 -1.92 112.91 117.39 1iru h THR 108 Ca 0.22 -1.03 0.05 0.00 0.77 0.00 0.00 66.41 66.42 1iru h THR 108 Cb -0.03 1.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 1iru h THR 108 CO -0.04 0.32 0.18 -0.09 0.37 0.00 0.00 175.52 176.26 1iru h ARG 109 N 0.17 0.36 -0.59 6.66 2.43 -0.10 -0.15 114.38 123.15 1iru h ARG 109 Ca 0.06 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.31 1iru h ARG 109 Cb 0.50 -0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.89 1iru h ARG 109 CO 0.02 0.24 0.14 -0.92 -1.51 0.00 0.00 179.97 177.93 1iru h TYR 110 N 0.37 0.22 -0.65 2.20 3.20 -0.60 0.27 116.97 121.97 1iru h TYR 110 Ca 0.21 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 1iru h TYR 110 Cb 0.18 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1iru h TYR 110 CO -0.14 -0.01 0.07 0.82 -1.64 0.00 0.00 178.16 177.26 1iru h ILE 111 N 0.28 1.27 -0.47 1.81 2.04 -0.50 -1.14 117.51 120.79 1iru h ILE 111 Ca 0.31 -1.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1iru h ILE 111 Cb 0.44 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1iru h ILE 111 CO -0.38 0.40 0.17 0.00 0.00 0.00 0.00 178.15 178.34 1iru h ALA 112 N 1.04 0.62 -0.64 1.87 0.00 0.05 -1.48 119.26 120.71 1iru h ALA 112 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1iru h ALA 112 Cb 0.49 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1iru h ALA 112 CO 0.02 0.25 0.35 1.03 0.00 0.00 0.00 179.25 180.90 1iru h SER 113 N 0.62 0.78 -0.03 0.00 0.87 -0.22 0.19 113.55 115.76 1iru h SER 113 Ca 0.15 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1iru h SER 113 Cb 0.23 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1iru h SER 113 CO -0.01 0.63 0.01 0.25 -0.53 0.00 0.00 176.83 177.18 1iru h LEU 114 N 0.88 0.05 -0.22 2.23 5.85 -0.77 -1.43 115.31 121.91 1iru h LEU 114 Ca 0.23 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1iru h LEU 114 Cb 0.02 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1iru h LEU 114 CO -0.04 0.26 0.11 0.11 -0.34 0.00 0.00 178.44 178.54 1iru h LYS 115 N -0.17 0.31 -0.29 1.25 1.57 -0.71 -2.09 116.57 116.44 1iru h LYS 115 Ca 0.01 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1iru h LYS 115 Cb 0.23 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 1iru h LYS 115 CO 0.00 0.32 -0.03 0.37 -0.57 0.00 0.00 179.45 179.54 1iru h GLN 116 N 0.22 0.05 -0.47 3.15 -0.00 -0.62 -1.66 115.11 115.78 1iru h GLN 116 Ca 0.07 -0.00 0.09 0.00 -0.00 0.00 0.00 58.65 58.81 1iru h GLN 116 Cb 0.11 -0.01 -0.08 0.00 0.00 0.00 0.00 27.48 27.50 1iru h GLN 116 CO -0.01 0.03 -0.04 0.00 0.00 0.00 0.00 178.83 178.82 1iru h ARG 117 N 0.05 0.07 0.00 1.69 3.08 -1.07 0.19 114.38 118.39 1iru h ARG 117 Ca 0.14 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1iru h ARG 117 Cb 0.20 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1iru h ARG 117 CO -0.26 0.05 0.00 0.66 -1.07 0.00 0.00 179.97 179.35 1iru n TYR 118 N -5.26 0.00 0.04 3.04 4.02 -0.63 -0.71 117.16 117.65 1iru n TYR 118 Ca 0.04 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.95 1iru n TYR 118 Cb 0.25 0.00 0.03 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 -0.51 0.51 -2.04 -0.72 -2.24 0.05 -3.45 114.28 105.87 1iru n THR 119 Ca 0.00 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1iru n THR 119 Cb 0.00 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.01 0.00 -5.20 -0.78 7.27 0.11 -4.66 117.38 114.11 1iru n GLN 120 Ca 0.03 -0.98 -0.31 0.00 0.07 0.00 0.00 57.00 55.81 1iru n GLN 120 Cb 0.19 -0.39 -0.16 0.00 2.41 0.00 0.00 30.24 32.28 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 -0.98 2.94 0.77 1.69 0.01 -1.07 -5.06 113.70 112.00 1iru s SER 121 Ca 0.03 -0.49 -0.14 0.00 1.31 0.00 0.00 55.95 56.65 1iru s SER 121 Cb 0.03 -0.87 0.05 0.00 0.21 0.00 0.00 66.02 65.45 1iru s SER 121 CO -0.01 0.22 1.16 0.59 0.41 0.00 0.00 173.24 175.61 1iru n ASN 122 N 3.04 1.03 0.00 2.44 3.02 -1.26 -2.99 115.26 120.53 1iru n ASN 122 Ca -0.18 0.63 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 1iru n ASN 122 Cb 0.52 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.20 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 0.73 2.16 3.70 7.41 0.00 0.24 -4.88 105.19 114.54 1iru n GLY 123 Ca 0.14 0.00 -0.27 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 2.55 0.13 1.61 0.52 -1.16 -4.99 118.95 117.61 1iru s ARG 124 Ca 0.00 -1.00 0.05 0.00 -0.52 0.00 0.00 55.73 54.26 1iru s ARG 124 Cb 0.00 -2.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 1iru s ARG 124 CO 0.00 0.48 0.07 0.50 0.02 0.00 0.00 175.30 176.37 1iru s ARG 125 N -2.84 2.73 0.90 3.54 3.52 -1.26 -4.47 118.95 121.06 1iru s ARG 125 Ca 0.28 -0.87 -0.12 0.00 -0.13 0.00 0.00 55.73 54.88 1iru s ARG 125 Cb -0.10 -2.58 0.13 0.00 -1.56 0.00 0.00 34.95 30.84 1iru s ARG 125 CO 0.20 0.51 1.13 -2.14 -0.81 0.00 0.00 175.30 174.18 1iru s PRO 126 N -2.77 1.24 -0.08 5.12 0.02 -1.22 -4.85 135.00 132.46 1iru s PRO 126 Ca 0.29 0.33 -0.26 0.00 0.02 0.00 0.00 61.00 61.38 1iru s PRO 126 Cb -0.11 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 1iru s PRO 126 CO 0.21 -2.14 0.81 -0.06 -0.33 0.00 0.00 177.00 175.49 1iru s PHE 127 N -3.26 3.56 -1.31 6.54 0.40 -1.26 -4.97 117.98 117.67 1iru s PHE 127 Ca 0.63 1.37 -0.06 0.00 -0.60 0.00 0.00 56.93 58.28 1iru s PHE 127 Cb -0.15 -2.94 0.13 0.00 0.51 0.00 0.00 43.02 40.57 1iru s PHE 127 CO 0.53 -0.03 2.32 0.41 0.70 0.00 0.00 175.22 179.16 1iru n GLY 128 N 3.14 5.20 3.40 4.36 0.00 -1.26 -4.47 105.19 115.56 1iru n GLY 128 Ca 0.02 -2.07 -0.16 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.11 0.02 0.25 -0.61 -4.36 -1.26 -1.00 121.20 113.13 1iru s ILE 129 Ca 0.52 -0.19 0.09 0.00 -0.26 0.00 0.00 60.65 60.81 1iru s ILE 129 Cb 0.18 -0.82 -0.04 0.00 1.25 0.00 0.00 42.46 43.03 1iru s ILE 129 CO -0.09 -0.11 0.04 -0.44 0.24 0.00 0.00 174.94 174.58 1iru s SER 130 N -1.09 4.76 0.00 4.36 0.01 -0.98 -3.71 113.70 117.06 1iru s SER 130 Ca -0.11 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.62 1iru s SER 130 Cb -0.03 -0.98 -0.00 0.00 0.21 0.00 0.00 66.02 65.22 1iru s SER 130 CO 0.07 0.01 -0.02 0.00 0.41 0.00 0.00 173.24 173.71 1iru s ALA 131 N -2.20 0.12 -0.36 1.44 0.00 0.70 -2.33 121.76 119.12 1iru s ALA 131 Ca 0.31 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.10 1iru s ALA 131 Cb -0.07 -0.01 0.07 0.00 0.00 0.00 0.00 23.12 23.11 1iru s ALA 131 CO 0.21 0.01 0.14 -0.51 0.00 0.00 0.00 175.76 175.60 1iru s LEU 132 N -0.20 4.63 -0.17 0.00 1.43 0.51 -0.22 118.68 124.67 1iru s LEU 132 Ca -0.01 -1.46 -0.10 0.00 -1.03 0.00 0.00 54.13 51.52 1iru s LEU 132 Cb -0.02 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 1iru s LEU 132 CO -0.00 -0.41 0.17 -0.63 0.23 0.00 0.00 176.35 175.71 1iru s ILE 133 N 1.31 5.40 0.15 -0.59 1.01 0.12 -0.48 121.20 128.13 1iru s ILE 133 Ca 0.01 0.29 0.09 0.00 0.00 0.00 0.00 60.65 61.04 1iru s ILE 133 Cb -0.21 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1iru s ILE 133 CO 0.00 0.47 -0.20 -0.69 0.00 0.00 0.00 174.94 174.52 1iru s VAL 134 N 0.04 1.88 0.00 2.92 1.01 0.16 -1.23 120.40 125.17 1iru s VAL 134 Ca 0.12 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.27 1iru s VAL 134 Cb -0.12 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1iru s VAL 134 CO 0.01 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.52 1iru n GLY 135 N 0.53 3.26 3.78 4.51 0.00 -1.12 -1.78 105.19 114.36 1iru n GLY 135 Ca -0.15 -0.70 -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 3.47 -0.99 1.61 0.40 -1.25 -0.78 117.98 118.43 1iru s PHE 136 Ca 0.00 0.39 -0.23 0.00 -0.60 0.00 0.00 56.93 56.49 1iru s PHE 136 Cb 0.00 -2.06 -0.12 0.00 0.51 0.00 0.00 43.02 41.35 1iru s PHE 136 CO 0.00 0.46 1.92 -0.25 0.70 0.00 0.00 175.22 178.05 1iru n ASP 137 N 2.89 2.82 -0.46 1.36 8.00 0.31 -4.87 116.55 126.59 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 -1.46 -0.01 0.00 -0.02 0.00 0.00 41.12 40.16 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 11.47 0.14 -2.69 1.24 3.01 -1.26 0.72 117.46 130.08 1iru n PHE 138 Ca 0.47 0.11 -0.10 0.00 1.01 0.00 0.00 57.45 58.94 1iru n PHE 138 Cb 0.44 -0.22 0.02 0.00 -0.01 0.00 0.00 39.48 39.71 1iru n PHE 138 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1iru n ASP 139 N 0.31 -3.68 -0.31 4.37 3.85 -1.26 -4.95 116.55 114.89 1iru n ASP 139 Ca 0.03 -0.16 0.00 0.00 -0.71 0.00 0.00 54.79 53.95 1iru n ASP 139 Cb -0.00 -2.50 0.00 0.00 -1.35 0.00 0.00 41.12 37.27 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 -1.11 0.94 3.85 6.12 0.00 0.22 -5.17 105.19 110.04 1iru n GLY 140 Ca -0.04 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.16 2.42 -0.19 2.61 -4.23 -1.26 -4.46 115.64 108.37 1iru s THR 141 Ca 0.00 0.14 -0.18 0.00 -1.18 0.00 0.00 61.69 60.47 1iru s THR 141 Cb 0.00 -3.02 -0.03 0.00 1.34 0.00 0.00 72.50 70.79 1iru s THR 141 CO 0.00 -0.18 0.49 -2.16 -0.54 0.00 0.00 174.62 172.23 1iru s PRO 142 N -5.38 4.20 0.29 3.99 0.04 -1.26 0.11 135.00 136.98 1iru s PRO 142 Ca 0.62 0.38 0.09 0.00 0.04 0.00 0.00 61.00 62.13 1iru s PRO 142 Cb -0.13 -3.55 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 1iru s PRO 142 CO 0.52 -0.10 0.02 1.03 0.04 0.00 0.00 177.00 178.51 1iru s ARG 143 N 1.48 2.29 -0.03 4.56 0.52 0.04 -4.87 118.95 122.94 1iru s ARG 143 Ca 0.23 -1.47 0.01 0.00 -0.52 0.00 0.00 55.73 53.98 1iru s ARG 143 Cb -0.15 -2.14 0.02 0.00 0.52 0.00 0.00 34.95 33.19 1iru s ARG 143 CO 0.09 0.30 -0.02 -1.17 0.02 0.00 0.00 175.30 174.53 1iru s LEU 144 N -3.71 1.32 0.11 2.53 2.96 -1.26 -2.81 118.68 117.82 1iru s LEU 144 Ca 0.33 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.21 1iru s LEU 144 Cb -0.05 -0.28 -0.04 0.00 0.50 0.00 0.00 46.19 46.32 1iru s LEU 144 CO 0.20 -0.07 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.77 1iru s TYR 145 N 0.84 1.02 0.03 5.38 1.51 -0.37 -1.48 117.35 124.28 1iru s TYR 145 Ca -0.09 -0.82 0.02 0.00 -1.01 0.00 0.00 57.07 55.17 1iru s TYR 145 Cb -0.12 -0.56 -0.02 0.00 -0.11 0.00 0.00 41.96 41.15 1iru s TYR 145 CO -0.01 -0.06 -0.06 1.14 -1.11 0.00 0.00 175.55 175.45 1iru s GLN 146 N -3.58 0.46 0.02 -0.62 0.00 -0.59 0.16 119.66 115.50 1iru s GLN 146 Ca 0.12 -0.66 0.02 0.00 -0.00 0.00 0.00 55.36 54.83 1iru s GLN 146 Cb 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 33.01 32.82 1iru s GLN 146 CO -0.02 0.03 -0.06 0.95 0.00 0.00 0.00 175.29 176.19 1iru s THR 147 N -1.27 0.40 0.34 3.63 -4.23 0.69 -2.70 115.64 112.51 1iru s THR 147 Ca -0.10 -0.71 0.06 0.00 -1.18 0.00 0.00 61.69 59.76 1iru s THR 147 Cb -0.09 -0.43 -0.07 0.00 1.34 0.00 0.00 72.50 73.25 1iru s THR 147 CO 0.00 -0.22 -0.01 1.51 -0.54 0.00 0.00 174.62 175.36 1iru s ASP 148 N -1.00 3.11 0.45 3.99 -4.77 -1.19 -0.22 116.67 117.05 1iru s ASP 148 Ca -0.06 -1.29 0.22 0.00 -3.30 0.00 0.00 52.55 48.11 1iru s ASP 148 Cb -0.07 -0.24 1.20 0.00 -1.09 0.00 0.00 42.92 42.73 1iru s ASP 148 CO -0.00 -0.43 1.84 -0.65 0.70 0.00 0.00 175.17 176.64 1iru h PRO 149 N 2.05 0.28 -0.65 2.11 0.11 -1.78 -1.04 132.00 133.08 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 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1iru h PRO 149 CO 0.72 0.19 0.53 0.66 -0.21 0.00 0.00 178.00 179.89 1iru h SER 150 N 0.29 0.00 0.00 -2.05 4.64 -1.91 -3.39 113.55 111.13 1iru h SER 150 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1iru h SER 150 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1iru h SER 150 CO -0.15 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.42 1iru n GLY 151 N -1.62 0.56 3.84 -0.77 0.00 -0.39 -4.30 105.19 102.50 1iru n GLY 151 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 4.60 -0.04 2.61 -4.23 -1.26 -4.50 115.64 110.81 1iru s THR 152 Ca 0.00 1.09 -0.11 0.00 -1.18 0.00 0.00 61.69 61.49 1iru s THR 152 Cb 0.00 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.24 1iru s THR 152 CO 0.00 -0.26 0.25 -0.72 -0.54 0.00 0.00 174.62 173.35 1iru s TYR 153 N -2.08 -0.17 0.06 3.99 -0.85 -1.26 -3.20 117.35 113.85 1iru s TYR 153 Ca 0.56 0.34 -0.05 0.00 -0.52 0.00 0.00 57.07 57.40 1iru s TYR 153 Cb -0.10 0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.29 1iru s TYR 153 CO 0.17 -0.27 0.10 -1.01 -1.52 0.00 0.00 175.55 173.02 1iru s HIS 154 N -0.78 0.28 -0.14 -3.49 3.76 -1.10 -5.00 115.29 108.82 1iru s HIS 154 Ca -0.09 -0.72 -0.17 0.00 -0.15 0.00 0.00 55.06 53.93 1iru s HIS 154 Cb -0.05 -0.19 -0.04 0.00 1.11 0.00 0.00 32.58 33.42 1iru s HIS 154 CO 0.02 -0.45 0.45 0.00 -0.85 0.00 0.00 174.74 173.91 1iru s ALA 155 N -3.58 3.51 0.19 -1.40 0.00 -1.26 -1.55 121.76 117.67 1iru s ALA 155 Ca 0.03 -0.29 0.09 0.00 0.00 0.00 0.00 51.96 51.79 1iru s ALA 155 Cb 0.04 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 1iru s ALA 155 CO -0.09 -0.08 -0.07 -1.58 0.00 0.00 0.00 175.76 173.94 1iru s TRP 156 N 0.82 2.68 0.02 0.00 0.52 -0.55 -4.98 118.94 117.44 1iru s TRP 156 Ca 0.24 -0.21 0.10 0.00 0.02 0.00 0.00 56.10 56.25 1iru s TRP 156 Cb -0.15 -1.29 -0.16 0.00 -1.15 0.00 0.00 33.47 30.72 1iru s TRP 156 CO 0.09 0.53 1.14 1.57 0.02 0.00 0.00 176.95 180.30 1iru h LYS 157 N 2.73 0.00 -1.49 4.98 -0.00 -1.93 -3.39 116.57 117.47 1iru h LYS 157 Ca -0.46 0.00 0.22 0.00 -0.00 0.00 0.00 60.65 60.41 1iru h LYS 157 Cb 1.21 0.00 -0.20 0.00 -0.00 0.00 0.00 32.23 33.24 1iru h LYS 157 CO 0.56 0.75 0.78 0.00 -0.00 0.00 0.00 179.45 181.53 1iru s ALA 158 N -2.75 -2.04 0.02 0.07 0.00 -1.26 -1.18 121.76 114.61 1iru s ALA 158 Ca 0.00 1.59 -0.29 0.00 0.00 0.00 0.00 51.96 53.26 1iru s ALA 158 Cb 0.09 -0.33 0.11 0.00 0.00 0.00 0.00 23.12 22.99 1iru s ALA 158 CO 0.81 -0.52 1.23 -0.80 0.00 0.00 0.00 175.76 176.47 1iru s ASN 159 N -1.93 -0.07 -0.02 0.00 0.02 0.90 -4.97 114.94 108.87 1iru s ASN 159 Ca 0.08 -0.19 -0.06 0.00 -1.02 0.00 0.00 52.86 51.67 1iru s ASN 159 Cb -0.01 0.22 0.01 0.00 0.02 0.00 0.00 41.25 41.49 1iru s ASN 159 CO -0.05 -0.41 0.13 0.00 0.02 0.00 0.00 177.10 176.80 1iru s ALA 160 N -2.55 -0.32 0.04 0.60 0.00 -1.26 0.15 121.76 118.41 1iru s ALA 160 Ca 0.14 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1iru s ALA 160 Cb 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 1iru s ALA 160 CO -0.03 -0.14 -0.05 0.96 0.00 0.00 0.00 175.76 176.51 1iru s ILE 161 N -0.68 0.31 0.00 0.00 -4.36 0.48 -4.81 121.20 112.14 1iru s ILE 161 Ca -0.08 -1.12 0.00 0.00 -0.26 0.00 0.00 60.65 59.19 1iru s ILE 161 Cb -0.05 -0.60 0.00 0.00 1.25 0.00 0.00 42.46 43.07 1iru s ILE 161 CO 0.01 -0.53 0.00 0.61 0.24 0.00 0.00 174.94 175.27 1iru n GLY 162 N 1.30 -0.67 3.68 6.27 0.00 -1.26 -0.52 105.19 113.99 1iru n GLY 162 Ca -0.22 -2.01 -0.48 0.00 0.00 0.00 0.00 46.02 43.31 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 2.12 -1.20 1.61 0.00 0.45 -1.75 116.66 117.88 1iru n ARG 163 Ca 0.00 0.77 -0.09 0.00 -0.00 0.00 0.00 57.85 58.53 1iru n ARG 163 Cb 0.00 -2.59 -0.04 0.00 -0.00 0.00 0.00 32.46 29.83 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 4.07 0.86 0.42 2.89 0.00 -1.26 -4.35 105.19 107.82 1iru n GLY 164 Ca 0.21 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.45 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 0.11 2.27 -0.39 4.61 0.00 -1.63 0.44 119.26 124.67 1iru h ALA 165 Ca -0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1iru h ALA 165 Cb 1.05 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1iru h ALA 165 CO 0.27 -0.88 0.22 0.87 0.00 0.00 0.00 179.25 179.73 1iru h LYS 166 N 0.00 0.55 0.32 0.00 1.57 -1.87 0.82 116.57 117.97 1iru h LYS 166 Ca 0.25 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1iru h LYS 166 Cb 1.46 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1iru h LYS 166 CO -0.00 0.44 -0.16 0.77 -0.57 0.00 0.00 179.45 179.93 1iru h SER 167 N 0.51 -0.37 -1.33 0.86 0.02 -0.50 0.12 113.55 112.87 1iru h SER 167 Ca 0.14 0.01 0.38 0.00 -0.84 0.00 0.00 61.79 61.49 1iru h SER 167 Cb 0.05 0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.62 1iru h SER 167 CO -0.02 -0.25 0.94 0.58 -1.14 0.00 0.00 176.83 176.94 1iru h VAL 168 N -0.47 0.32 -0.10 2.27 2.07 -1.50 0.83 116.25 119.67 1iru h VAL 168 Ca -0.04 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 1iru h VAL 168 Cb 0.33 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1iru h VAL 168 CO 0.07 0.01 -0.25 0.03 0.02 0.00 0.00 177.57 177.45 1iru h ARG 169 N 0.06 0.35 -0.98 1.57 3.08 -0.49 0.21 114.38 118.18 1iru h ARG 169 Ca 0.66 -0.24 0.06 0.00 0.07 0.00 0.00 59.98 60.52 1iru h ARG 169 Cb 2.48 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 32.50 1iru h ARG 169 CO -0.08 0.85 0.64 1.05 -1.07 0.00 0.00 179.97 181.36 1iru h GLU 170 N -0.09 1.14 0.54 0.04 9.09 0.26 -1.28 114.58 124.29 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 -0.26 0.01 0.00 -1.65 0.00 0.00 28.75 27.70 1iru h GLU 170 CO 0.05 0.76 -0.26 0.35 0.05 0.00 0.00 179.01 179.96 1iru h PHE 171 N 1.18 -0.68 -1.04 2.06 3.57 -0.67 -3.16 116.94 118.20 1iru h PHE 171 Ca 0.41 -0.02 0.34 0.00 3.53 0.00 0.00 57.97 62.23 1iru h PHE 171 Cb 0.12 0.22 -0.15 0.00 2.79 0.00 0.00 35.95 38.94 1iru h PHE 171 CO -0.00 -0.42 0.60 -0.07 -2.23 0.00 0.00 178.31 176.19 1iru h LEU 172 N -0.94 0.48 -1.43 0.59 3.38 -0.38 1.35 115.31 118.35 1iru h LEU 172 Ca -0.07 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1iru h LEU 172 Cb 0.56 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1iru h LEU 172 CO 0.12 -0.14 0.00 -0.33 0.09 0.00 0.00 178.44 178.18 1iru h GLU 173 N 0.29 0.00 -0.24 1.13 5.08 -1.20 -2.42 114.58 117.21 1iru h GLU 173 Ca 0.74 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 59.00 1iru h GLU 173 Cb 1.79 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.98 1iru h GLU 173 CO -0.58 0.00 -0.13 1.63 -1.00 0.00 0.00 179.01 178.93 1iru n LYS 174 N -2.47 1.92 0.00 2.33 5.02 0.46 -4.57 118.16 120.86 1iru n LYS 174 Ca -0.00 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.20 1iru n LYS 174 Cb 0.13 -1.76 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 -1.05 0.00 -4.62 4.39 3.02 -0.94 -5.06 115.26 111.00 1iru n ASN 175 Ca 0.27 -0.13 -0.41 0.00 -0.03 0.00 0.00 54.58 54.28 1iru n ASN 175 Cb 0.91 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 40.03 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 3.26 0.04 3.10 5.04 -1.07 -4.69 117.35 123.03 1iru s TYR 176 Ca 0.00 0.83 -0.23 0.00 -2.44 0.00 0.00 57.07 55.23 1iru s TYR 176 Cb 0.00 -2.99 0.05 0.00 0.35 0.00 0.00 41.96 39.38 1iru s TYR 176 CO 0.00 -0.42 0.53 0.95 -1.34 0.00 0.00 175.55 175.28 1iru s THR 177 N 2.68 0.03 0.30 4.34 -4.23 -1.26 -4.97 115.64 112.53 1iru s THR 177 Ca 0.29 -0.22 0.04 0.00 -1.18 0.00 0.00 61.69 60.62 1iru s THR 177 Cb -0.15 -0.96 0.33 0.00 1.34 0.00 0.00 72.50 73.06 1iru s THR 177 CO 0.10 -0.12 1.63 0.44 -0.54 0.00 0.00 174.62 176.12 1iru h ASP 178 N 2.83 -0.05 0.27 3.99 3.32 -1.95 -0.01 116.42 124.81 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 0.30 0.00 0.00 0.22 0.00 0.00 39.33 41.06 1iru h ASP 178 CO 0.41 -0.22 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.25 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 0.59 0.02 -0.63 0.00 -1.00 0.00 0.00 59.36 58.34 1iru h GLU 179 Cb 1.24 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 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 -2.53 1.37 -2.75 3.43 0.00 -0.02 -1.66 120.51 118.37 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 7.23 -6.68 0.46 0.00 -0.00 -1.26 -4.22 119.36 114.88 1iru n ILE 181 Ca 0.34 -0.93 0.10 0.00 -0.00 0.00 0.00 62.75 62.26 1iru n ILE 181 Cb 0.33 -5.45 0.26 0.00 -0.00 0.00 0.00 39.64 34.79 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 -2.74 2.23 -3.74 6.28 4.71 -0.66 -4.39 120.64 122.33 1iru n GLU 182 Ca -0.06 -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 29.47 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 -1.42 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 71.22 1iru s THR 183 CO 0.27 -0.03 1.55 0.47 -2.21 0.00 0.00 174.62 174.67 1iru n ASP 184 N 2.63 0.13 -0.17 8.08 9.92 -1.26 0.12 116.55 136.00 1iru n ASP 184 Ca -0.14 1.23 -0.10 0.00 -0.53 0.00 0.00 54.79 55.24 1iru n ASP 184 Cb 0.57 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 40.45 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 0.94 0.97 -2.24 5.19 -1.97 -2.97 116.42 116.34 1iru h ASP 185 Ca 0.90 -0.34 -0.10 0.00 -0.62 0.00 0.00 57.03 56.86 1iru h ASP 185 Cb 3.19 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 42.42 1iru h ASP 185 CO -0.29 1.06 -1.09 0.25 -3.12 0.00 0.00 179.24 176.06 1iru h LEU 186 N 0.80 0.00 0.73 1.55 5.85 0.53 -3.33 115.31 121.43 1iru h LEU 186 Ca 0.13 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1iru h LEU 186 Cb 0.63 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.67 1iru h LEU 186 CO 0.04 0.37 -0.35 0.00 -0.34 0.00 0.00 178.44 178.17 1iru h THR 187 N 0.00 0.27 0.00 1.05 1.03 -0.48 -0.64 112.91 114.14 1iru h THR 187 Ca -0.09 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.28 1iru h THR 187 Cb 1.36 0.28 0.00 0.00 -1.07 0.00 0.00 68.15 68.72 1iru h THR 187 CO 0.03 0.00 0.00 -0.38 -0.01 0.00 0.00 175.52 175.17 1iru n ILE 188 N -5.50 1.28 -0.06 0.00 -0.00 -1.13 -2.37 119.36 111.58 1iru n ILE 188 Ca -0.14 0.32 -0.07 0.00 -0.00 0.00 0.00 62.75 62.86 1iru n ILE 188 Cb 0.40 -1.32 -0.05 0.00 -0.00 0.00 0.00 39.64 38.66 1iru n ILE 188 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.55 176.62 1iru h LYS 189 N 0.00 0.00 -0.98 0.38 2.10 -1.23 -3.14 116.57 113.71 1iru h LYS 189 Ca 0.00 0.00 0.25 0.00 -2.00 0.00 0.00 60.65 58.90 1iru h LYS 189 Cb 0.00 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.20 1iru h LYS 189 CO 0.00 0.40 0.54 1.25 -2.00 0.00 0.00 179.45 179.64 1iru h LEU 190 N -1.00 0.56 0.05 7.07 5.85 -1.15 0.49 115.31 127.19 1iru h LEU 190 Ca -0.03 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1iru h LEU 190 Cb 0.48 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1iru h LEU 190 CO -0.02 0.04 -0.03 0.58 -0.34 0.00 0.00 178.44 178.68 1iru h VAL 191 N 0.50 1.05 -0.80 1.05 2.07 -1.71 0.33 116.25 118.74 1iru h VAL 191 Ca 0.64 -0.33 0.15 0.00 0.82 0.00 0.00 66.70 67.97 1iru h VAL 191 Cb 1.25 1.27 -0.10 0.00 -1.52 0.00 0.00 31.29 32.19 1iru h VAL 191 CO -0.51 0.08 0.35 0.40 0.02 0.00 0.00 177.57 177.92 1iru h ILE 192 N -0.22 0.66 0.06 4.57 5.03 -0.16 0.31 117.51 127.77 1iru h ILE 192 Ca -0.01 -0.17 -0.00 0.00 -0.12 0.00 0.00 64.86 64.56 1iru h ILE 192 Cb 0.19 0.12 0.00 0.00 -3.03 0.00 0.00 36.82 34.11 1iru h ILE 192 CO 0.01 0.09 -0.03 0.07 -0.68 0.00 0.00 178.15 177.61 1iru h LYS 193 N 0.50 -0.08 -0.13 2.37 2.10 -0.21 -2.30 116.57 118.82 1iru h LYS 193 Ca 0.44 0.01 0.05 0.00 -2.00 0.00 0.00 60.65 59.14 1iru h LYS 193 Cb 0.67 0.02 -0.06 0.00 -0.90 0.00 0.00 32.23 31.96 1iru h LYS 193 CO -0.40 0.35 -0.27 0.00 -2.00 0.00 0.00 179.45 177.13 1iru h ALA 194 N 0.34 -0.28 0.07 0.07 0.00 0.40 0.63 119.26 120.50 1iru h ALA 194 Ca -0.01 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1iru h ALA 194 Cb 0.47 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1iru h ALA 194 CO 0.01 -0.74 -0.44 -0.07 0.00 0.00 0.00 179.25 178.02 1iru h LEU 195 N -0.34 -1.31 -1.65 0.00 4.07 -0.48 -1.34 115.31 114.27 1iru h LEU 195 Ca 0.10 0.15 0.09 0.00 0.08 0.00 0.00 57.88 58.30 1iru h LEU 195 Cb 0.49 0.50 -0.03 0.00 1.08 0.00 0.00 40.66 42.70 1iru h LEU 195 CO -0.32 -0.49 0.38 -0.07 -1.08 0.00 0.00 178.44 176.87 1iru h LEU 196 N -0.63 0.36 -1.26 1.67 4.07 -0.87 0.84 115.31 119.49 1iru h LEU 196 Ca 0.03 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.00 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 -0.28 0.22 0.00 -1.84 -1.08 0.00 0.00 178.44 175.46 1iru n GLU 197 N -4.47 0.24 0.00 1.13 0.28 0.22 -2.09 120.64 115.95 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 32.03 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 -2.44 3.84 3.14 -0.94 -4.80 118.33 117.63 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 0.08 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.83 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 4.14 0.66 1.55 -7.23 0.29 -4.99 120.40 114.82 1iru s VAL 199 Ca 0.00 1.52 -0.17 0.00 -1.81 0.00 0.00 61.98 61.52 1iru s VAL 199 Cb 0.00 -3.98 -0.10 0.00 0.56 0.00 0.00 36.38 32.87 1iru s VAL 199 CO 0.00 0.08 0.13 1.67 -0.31 0.00 0.00 175.10 176.67 1iru n GLN 200 N 4.37 0.20 -2.09 4.82 7.27 -1.26 -4.76 117.38 125.93 1iru n GLN 200 Ca 0.10 0.09 -0.40 0.00 0.07 0.00 0.00 57.00 56.85 1iru n GLN 200 Cb 0.46 -1.42 -0.01 0.00 2.41 0.00 0.00 30.24 31.68 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 -1.20 6.58 0.00 1.69 0.01 -1.26 -4.19 113.70 115.33 1iru s SER 201 Ca 0.60 2.67 0.00 0.00 1.31 0.00 0.00 55.95 60.53 1iru s SER 201 Cb -0.39 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.19 1iru s SER 201 CO 0.63 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1iru n GLY 202 N 0.73 4.38 4.18 3.44 0.00 -1.26 -4.83 105.19 111.83 1iru n GLY 202 Ca 0.02 -0.85 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 0.22 -0.02 0.00 -1.26 -4.65 105.19 101.82 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 -1.31 1.13 0.00 1.61 -0.00 -1.26 -2.34 118.16 115.98 1iru n LYS 204 Ca 0.00 -0.16 0.07 0.00 -0.00 0.00 0.00 58.31 58.22 1iru n LYS 204 Cb 0.00 -1.18 0.01 0.00 -0.00 0.00 0.00 35.03 33.86 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 -0.26 1.57 -4.91 -5.58 3.02 -1.26 -4.28 115.26 103.57 1iru n ASN 205 Ca 0.01 -1.29 -0.20 0.00 -0.03 0.00 0.00 54.58 53.08 1iru n ASN 205 Cb 0.11 0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 39.67 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 -1.64 3.15 -0.46 2.41 -1.09 -0.99 -0.99 121.20 121.59 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 -3.10 0.27 0.00 -1.58 0.00 0.00 42.46 38.16 1iru s ILE 206 CO 0.33 -0.07 1.02 -0.62 -1.23 0.00 0.00 174.94 174.37 1iru n GLU 207 N -1.56 0.75 -1.54 2.79 1.02 -1.23 -4.95 120.64 115.93 1iru n GLU 207 Ca 0.02 -1.63 -0.30 0.00 -0.02 0.00 0.00 57.16 55.23 1iru n GLU 207 Cb 0.60 -1.14 0.22 0.00 -0.02 0.00 0.00 31.44 31.10 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 -1.15 1.75 0.00 -4.62 2.01 -1.26 -3.61 118.68 111.79 1iru s LEU 208 Ca 0.28 0.35 0.00 0.00 0.01 0.00 0.00 54.13 54.76 1iru s LEU 208 Cb 0.25 -2.17 0.00 0.00 0.01 0.00 0.00 46.19 44.28 1iru s LEU 208 CO -0.17 -3.52 0.00 0.00 1.01 0.00 0.00 176.35 173.67 1iru n ALA 209 N -4.31 0.00 -2.76 4.21 0.00 -0.83 -3.63 120.51 113.19 1iru n ALA 209 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 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 -0.81 -2.31 120.40 108.04 1iru s VAL 210 Ca 0.00 -1.67 0.04 0.00 -1.81 0.00 0.00 61.98 58.54 1iru s VAL 210 Cb 0.00 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.50 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 -3.74 1.10 0.30 4.82 0.00 -1.16 -1.07 119.30 119.55 1iru s MET 211 Ca 0.31 -0.46 -0.14 0.00 0.00 0.00 0.00 55.69 55.40 1iru s MET 211 Cb 0.02 -1.05 -0.09 0.00 0.00 0.00 0.00 34.83 33.71 1iru s MET 211 CO 0.14 0.26 0.70 1.03 0.00 0.00 0.00 175.02 177.16 1iru s ARG 212 N -0.22 3.98 0.00 3.16 0.52 -1.24 -3.24 118.95 121.90 1iru s ARG 212 Ca 0.03 0.61 0.00 0.00 -0.52 0.00 0.00 55.73 55.85 1iru s ARG 212 Cb -0.06 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 32.93 1iru s ARG 212 CO -0.00 0.19 0.00 0.54 0.02 0.00 0.00 175.30 176.05 1iru n ARG 213 N -0.30 0.00 0.00 3.54 5.12 -1.09 -2.86 116.66 121.07 1iru n ARG 213 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1iru n ARG 213 Cb 0.53 -0.95 0.00 0.00 -1.16 0.00 0.00 32.46 30.88 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 0.41 0.00 -4.88 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 -0.15 2.24 0.00 -0.67 0.74 -1.14 -5.07 119.66 115.62 1iru s GLN 215 Ca 0.00 0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.67 1iru s GLN 215 Cb 0.00 -1.97 0.00 0.00 1.10 0.00 0.00 33.01 32.14 1iru s GLN 215 CO 0.00 -1.43 0.00 0.45 -0.55 0.00 0.00 175.29 173.76 1iru n SER 216 N -3.23 -0.42 -4.94 6.67 2.88 -1.26 -4.12 113.62 109.21 1iru n SER 216 Ca 0.07 -0.03 -0.26 0.00 -1.33 0.00 0.00 58.87 57.32 1iru n SER 216 Cb 0.59 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 4.23 -0.14 2.46 2.96 -1.26 -3.67 118.68 123.26 1iru s LEU 217 Ca 0.00 0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 54.21 1iru s LEU 217 Cb 0.00 -3.11 0.05 0.00 0.50 0.00 0.00 46.19 43.63 1iru s LEU 217 CO 0.00 -0.06 0.07 -1.59 -1.32 0.00 0.00 176.35 173.45 1iru s LYS 218 N -3.49 0.17 -0.53 1.98 -2.85 -0.24 -5.01 119.74 109.77 1iru s LYS 218 Ca 0.37 -0.04 -0.22 0.00 -1.00 0.00 0.00 55.97 55.09 1iru s LYS 218 Cb -0.11 -1.57 0.05 0.00 -2.06 0.00 0.00 37.83 34.14 1iru s LYS 218 CO 0.30 -0.58 0.79 0.42 0.10 0.00 0.00 175.35 176.38 1iru s ILE 219 N 2.09 4.62 0.51 3.79 1.01 -1.26 -1.93 121.20 130.03 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 -4.43 -0.08 0.00 0.01 0.00 0.00 42.46 37.81 1iru s ILE 219 CO -0.07 -0.98 0.98 0.18 0.00 0.00 0.00 174.94 175.05 1iru n LEU 220 N 6.84 3.09 -4.84 2.97 4.77 -1.24 -4.99 117.00 123.61 1iru n LEU 220 Ca -0.03 0.92 -0.34 0.00 -0.03 0.00 0.00 56.01 56.54 1iru n LEU 220 Cb 0.46 -1.37 -0.06 0.00 -2.33 0.00 0.00 43.42 40.12 1iru n LEU 220 CO 0.59 -1.67 0.37 0.54 -1.33 0.00 0.00 177.39 175.89 1iru s ASN 221 N -0.96 6.87 0.46 -1.43 4.22 -1.26 -4.88 114.94 117.96 1iru s ASN 221 Ca 0.69 1.26 0.20 0.00 -2.14 0.00 0.00 52.86 52.87 1iru s ASN 221 Cb -0.48 -2.36 1.10 0.00 1.28 0.00 0.00 41.25 40.78 1iru s ASN 221 CO 0.53 -0.06 1.56 1.55 -2.04 0.00 0.00 177.10 178.64 1iru h PRO 222 N 2.92 0.00 0.25 3.55 0.13 -1.98 -1.27 132.00 135.59 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 32.32 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 -0.32 0.00 0.86 3.07 -2.00 -2.02 114.58 114.16 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 0.60 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1iru h GLU 223 CO 0.00 -0.22 0.08 -0.85 -1.40 0.00 0.00 179.01 176.62 1iru n GLU 224 N -4.57 0.03 -0.01 2.33 0.28 -0.57 -1.41 120.64 116.71 1iru n GLU 224 Ca -0.04 0.47 -0.02 0.00 -0.16 0.00 0.00 57.16 57.41 1iru n GLU 224 Cb 0.13 -1.67 -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 0.08 -0.24 3.84 -2.65 -1.19 -2.82 117.51 114.53 1iru h ILE 225 Ca 0.00 -1.00 0.07 0.00 1.03 0.00 0.00 64.86 64.96 1iru h ILE 225 Cb 0.16 0.15 -0.01 0.00 -2.05 0.00 0.00 36.82 35.07 1iru h ILE 225 CO 0.00 0.03 0.20 -0.33 0.03 0.00 0.00 178.15 178.07 1iru h GLU 226 N -1.02 0.00 0.38 0.16 3.07 -0.48 0.63 114.58 117.33 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 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1iru h GLU 226 CO 0.01 0.00 -0.18 0.87 -1.40 0.00 0.00 179.01 178.31 1iru h LYS 227 N 0.00 -0.50 0.00 2.33 1.57 -1.52 -0.83 116.57 117.62 1iru h LYS 227 Ca 0.11 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1iru h LYS 227 Cb 0.50 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1iru h LYS 227 CO -0.00 -0.19 0.00 2.48 -0.57 0.00 0.00 179.45 181.17 1iru n TYR 228 N -5.15 0.73 1.17 -1.35 -0.00 -0.95 -0.14 117.16 111.47 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 0.37 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 -2.17 0.16 -0.00 -3.48 3.14 0.22 -3.83 118.33 112.37 1iru n VAL 229 Ca 0.02 -0.39 -0.01 0.00 -2.96 0.00 0.00 64.34 61.01 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 0.55 1.98 0.04 1.55 0.00 -0.33 -3.39 120.51 120.91 1iru n ALA 230 Ca 0.17 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.60 1iru n ALA 230 Cb 0.41 0.41 0.13 0.00 0.00 0.00 0.00 19.45 20.40 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 -2.39 0.03 0.00 0.00 1.02 0.80 -1.30 120.64 118.80 1iru n GLU 231 Ca -0.02 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 1iru n GLU 231 Cb 0.52 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 -1.66 0.00 -0.03 -3.67 -5.35 -1.25 -3.84 119.36 103.56 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 0.02 0.21 0.26 0.00 -1.74 0.00 0.00 39.64 38.39 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 0.60 0.00 6.28 3.07 -1.26 0.27 114.58 123.54 1iru h GLU 233 Ca 0.00 -0.13 -0.22 0.00 -0.50 0.00 0.00 59.36 58.50 1iru h GLU 233 Cb 0.08 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 27.86 1iru h GLU 233 CO 0.00 0.62 -1.80 1.63 -1.40 0.00 0.00 179.01 178.06 1iru n LYS 234 N -4.27 0.65 0.17 2.33 4.01 -0.42 -3.71 118.16 116.92 1iru n LYS 234 Ca 0.02 0.12 0.13 0.00 -0.51 0.00 0.00 58.31 58.08 1iru n LYS 234 Cb 0.25 -1.69 0.56 0.00 -0.51 0.00 0.00 35.03 33.64 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 0.20 114.58 118.40 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 1.77 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.89 1iru h GLU 235 CO 0.04 0.00 0.28 0.36 0.07 0.00 0.00 179.01 179.76 1iru n LYS 236 N -2.45 2.46 0.00 1.06 0.00 0.91 -3.48 118.16 116.66 1iru n LYS 236 Ca 0.01 -2.02 0.00 0.00 -0.00 0.00 0.00 58.31 56.30 1iru n LYS 236 Cb 0.23 -1.86 0.00 0.00 -0.00 0.00 0.00 35.03 33.40 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 -0.23 4.71 0.00 -1.58 4.71 -0.01 -4.32 120.64 123.92 1iru n GLU 237 Ca 0.32 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.51 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 -0.02 0.99 0.00 3.49 1.02 -0.81 -0.63 120.64 124.68 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 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 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 -0.64 0.00 0.00 1.62 2.04 -1.26 -4.70 115.26 112.32 1iru n ASN 239 Ca 0.06 -0.75 0.00 0.00 -0.44 0.00 0.00 54.58 53.45 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 4.22 -0.03 -3.83 0.28 -1.20 -4.48 120.64 115.60 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 -0.50 0.00 0.00 1.43 0.00 0.00 31.44 32.56 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 0.73 -1.36 3.44 0.00 0.20 -4.41 118.16 115.94 1iru n LYS 241 Ca 0.00 -0.80 0.01 0.00 -0.00 0.00 0.00 58.31 57.52 1iru n LYS 241 Cb 0.00 -0.64 -0.00 0.00 -0.00 0.00 0.00 35.03 34.39 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 -0.15 0.00 0.00 -1.58 4.01 -0.37 -4.80 118.16 115.28 1iru n LYS 242 Ca 0.00 -1.74 0.00 0.00 -0.51 0.00 0.00 58.31 56.07 1iru n LYS 242 Cb 0.45 0.10 0.00 0.00 -0.51 0.00 0.00 35.03 35.08 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 -4.70 118.16 117.39 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