#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iru h GLN 5 N 0.00 0.00 -0.30 3.52 3.07 -2.05 -1.61 115.11 117.73 1iru h GLN 5 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1iru h GLN 5 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1iru h GLN 5 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 1iru n TYR 6 N -2.84 1.04 0.04 0.06 4.02 -1.26 -4.68 117.16 113.53 1iru n TYR 6 Ca -0.02 -0.83 0.08 0.00 -0.01 0.00 0.00 57.90 57.12 1iru n TYR 6 Cb 0.22 -0.32 -0.12 0.00 -0.02 0.00 0.00 39.34 39.10 1iru n TYR 6 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1iru n ASP 7 N -0.30 1.23 0.00 7.72 8.00 -0.61 -4.43 116.55 128.16 1iru n ASP 7 Ca 0.21 -0.06 0.11 0.00 0.71 0.00 0.00 54.79 55.76 1iru n ASP 7 Cb 0.89 1.70 -0.02 0.00 -0.02 0.00 0.00 41.12 43.68 1iru n ASP 7 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1iru n ASN 8 N -2.02 0.85 -4.00 -2.24 3.02 -1.26 -4.22 115.26 105.39 1iru n ASN 8 Ca -0.03 -0.78 -0.24 0.00 -0.03 0.00 0.00 54.58 53.50 1iru n ASN 8 Cb 0.42 0.80 -0.17 0.00 -0.61 0.00 0.00 39.78 40.22 1iru n ASN 8 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1iru s ASP 9 N -3.03 1.67 0.00 6.41 1.01 -1.26 -5.00 116.67 116.48 1iru s ASP 9 Ca 0.09 -0.27 0.10 0.00 0.71 0.00 0.00 52.55 53.17 1iru s ASP 9 Cb 0.16 -0.77 0.47 0.00 1.01 0.00 0.00 42.92 43.79 1iru s ASP 9 CO 0.82 0.01 1.21 1.33 0.21 0.00 0.00 175.17 178.76 1iru n VAL 10 N 3.90 0.88 1.36 -1.27 0.24 -1.26 -1.64 118.33 120.54 1iru n VAL 10 Ca -0.23 0.22 0.13 0.00 -2.04 0.00 0.00 64.34 62.43 1iru n VAL 10 Cb 0.51 -1.06 0.42 0.00 -1.47 0.00 0.00 33.84 32.24 1iru n VAL 10 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1iru n THR 11 N -1.32 0.00 -3.54 3.34 -2.24 -1.26 -4.69 114.28 104.56 1iru n THR 11 Ca 0.04 -0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 61.17 1iru n THR 11 Cb 0.08 0.60 -0.11 0.00 -2.10 0.00 0.00 70.33 68.81 1iru n THR 11 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1iru s VAL 12 N -2.16 4.98 0.44 2.28 1.01 -0.65 -5.07 120.40 121.23 1iru s VAL 12 Ca 0.32 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 1iru s VAL 12 Cb 0.20 -3.70 -0.11 0.00 0.00 0.00 0.00 36.38 32.78 1iru s VAL 12 CO 0.39 -0.17 0.95 0.26 0.00 0.00 0.00 175.10 176.53 1iru s TRP 13 N 1.64 3.33 0.46 5.22 0.52 -1.26 -4.69 118.94 124.16 1iru s TRP 13 Ca 0.04 1.58 0.00 0.00 0.02 0.00 0.00 56.10 57.75 1iru s TRP 13 Cb -0.18 -2.84 -0.00 0.00 -1.15 0.00 0.00 33.47 29.30 1iru s TRP 13 CO 0.09 -0.13 0.68 -1.54 0.02 0.00 0.00 176.95 176.07 1iru s SER 14 N -2.28 5.79 0.00 2.95 1.04 -0.19 -4.93 113.70 116.08 1iru s SER 14 Ca 0.61 0.27 0.04 0.00 0.48 0.00 0.00 55.95 57.36 1iru s SER 14 Cb -0.09 -1.49 0.25 0.00 0.10 0.00 0.00 66.02 64.79 1iru s SER 14 CO 0.15 -0.74 0.75 -2.65 0.98 0.00 0.00 173.24 171.74 1iru n PRO 15 N -2.10 0.13 -0.12 4.02 -0.02 -1.26 -1.23 135.00 134.41 1iru n PRO 15 Ca 0.02 0.02 0.06 0.00 -2.02 0.00 0.00 63.50 61.58 1iru n PRO 15 Cb 0.58 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.68 1iru n PRO 15 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1iru n GLN 16 N -1.03 2.06 -2.72 -0.52 6.02 -1.26 -4.98 117.38 114.96 1iru n GLN 16 Ca 0.03 -1.77 -0.07 0.00 -0.01 0.00 0.00 57.00 55.18 1iru n GLN 16 Cb 0.02 -1.26 0.03 0.00 1.02 0.00 0.00 30.24 30.04 1iru n GLN 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1iru n GLY 17 N 0.61 0.30 3.20 1.08 0.00 -0.37 -5.06 105.19 104.96 1iru n GLY 17 Ca 0.10 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 1iru n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iru s ARG 18 N -5.02 0.92 -0.40 1.61 0.52 -1.26 -4.94 118.95 110.38 1iru s ARG 18 Ca 0.11 -1.39 0.02 0.00 -0.52 0.00 0.00 55.73 53.95 1iru s ARG 18 Cb -0.05 -0.29 0.12 0.00 0.52 0.00 0.00 34.95 35.25 1iru s ARG 18 CO 0.26 -0.02 0.18 0.42 0.02 0.00 0.00 175.30 176.16 1iru s ILE 19 N -3.58 1.49 0.30 1.52 1.01 -1.26 -1.03 121.20 119.66 1iru s ILE 19 Ca 0.15 -2.31 0.06 0.00 0.00 0.00 0.00 60.65 58.54 1iru s ILE 19 Cb 0.05 -2.07 0.30 0.00 0.01 0.00 0.00 42.46 40.75 1iru s ILE 19 CO -0.02 -0.79 1.68 0.45 0.00 0.00 0.00 174.94 176.26 1iru h HIS 20 N 7.17 0.67 -0.80 3.97 3.86 -1.84 0.27 115.15 128.44 1iru h HIS 20 Ca -0.05 0.04 0.09 0.00 -1.16 0.00 0.00 60.37 59.29 1iru h HIS 20 Cb 0.96 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 29.21 1iru h HIS 20 CO 0.45 -0.09 0.45 1.96 0.86 0.00 0.00 177.93 181.56 1iru h GLN 21 N 0.37 0.75 -0.05 2.45 1.08 -1.86 0.51 115.11 118.36 1iru h GLN 21 Ca 0.59 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.75 1iru h GLN 21 Cb 1.18 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 28.44 1iru h GLN 21 CO -0.56 0.49 0.02 0.82 -0.95 0.00 0.00 178.83 178.66 1iru h ILE 22 N 0.77 1.10 -0.33 2.54 2.04 -1.35 -1.37 117.51 120.91 1iru h ILE 22 Ca 0.38 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1iru h ILE 22 Cb 0.34 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 1iru h ILE 22 CO -0.24 0.08 0.10 -0.33 0.00 0.00 0.00 178.15 177.76 1iru h GLU 23 N -0.04 0.23 -0.63 2.37 5.08 -0.73 -1.51 114.58 119.35 1iru h GLU 23 Ca 0.02 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1iru h GLU 23 Cb 0.11 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 1iru h GLU 23 CO -0.00 0.15 0.27 1.88 -1.00 0.00 0.00 179.01 180.31 1iru h TYR 24 N 0.23 0.48 -0.76 4.33 0.99 0.15 -0.20 116.97 122.19 1iru h TYR 24 Ca 0.15 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.92 1iru h TYR 24 Cb 0.14 -0.12 -0.04 0.00 1.00 0.00 0.00 36.73 37.71 1iru h TYR 24 CO -0.15 0.15 0.50 0.00 -0.00 0.00 0.00 178.16 178.67 1iru h ALA 25 N 1.41 1.45 -0.41 3.88 0.00 -0.51 0.94 119.26 126.01 1iru h ALA 25 Ca 0.31 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1iru h ALA 25 Cb 0.35 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1iru h ALA 25 CO -0.28 0.51 0.28 0.52 0.00 0.00 0.00 179.25 180.28 1iru h MET 26 N 1.04 0.40 0.00 0.00 2.86 -0.07 0.36 114.93 119.52 1iru h MET 26 Ca 0.28 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.88 1iru h MET 26 Cb -0.12 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.45 1iru h MET 26 CO -0.06 0.26 -0.08 0.93 1.06 0.00 0.00 176.91 179.02 1iru h GLU 27 N 0.41 0.00 -0.43 1.72 4.39 -0.22 -1.56 114.58 118.89 1iru h GLU 27 Ca 0.17 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 1iru h GLU 27 Cb 0.18 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1iru h GLU 27 CO -0.04 0.08 0.15 0.00 -1.16 0.00 0.00 179.01 178.04 1iru h ALA 28 N 1.92 1.46 0.26 3.43 0.00 -0.84 -2.62 119.26 122.88 1iru h ALA 28 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1iru h ALA 28 Cb 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1iru h ALA 28 CO 0.01 0.41 -0.13 0.28 0.00 0.00 0.00 179.25 179.82 1iru h VAL 29 N 0.61 0.78 -1.00 0.00 2.07 -1.34 -3.02 116.25 114.34 1iru h VAL 29 Ca 0.15 -0.53 0.24 0.00 0.82 0.00 0.00 66.70 67.38 1iru h VAL 29 Cb 0.16 1.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.92 1iru h VAL 29 CO -0.01 0.11 0.65 0.11 0.02 0.00 0.00 177.57 178.45 1iru h LYS 30 N -0.64 0.43 -0.42 1.57 1.57 -1.45 -0.30 116.57 117.33 1iru h LYS 30 Ca -0.04 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1iru h LYS 30 Cb 0.45 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1iru h LYS 30 CO 0.06 0.29 0.03 1.96 -0.57 0.00 0.00 179.45 181.22 1iru h GLN 31 N 0.44 0.71 -6.75 3.15 1.08 -1.37 -1.14 115.11 111.24 1iru h GLN 31 Ca 0.56 -0.21 -0.56 0.00 -1.45 0.00 0.00 58.65 56.99 1iru h GLN 31 Cb 1.35 -0.07 0.18 0.00 -0.05 0.00 0.00 27.48 28.89 1iru h GLN 31 CO -0.28 0.78 -0.23 0.41 -0.95 0.00 0.00 178.83 178.55 1iru n GLY 32 N -0.43 -1.17 3.75 3.46 0.00 -0.12 -4.52 105.19 106.14 1iru n GLY 32 Ca -0.00 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 1iru n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iru s SER 33 N -1.53 4.92 0.63 1.61 1.04 -1.26 -0.99 113.70 118.13 1iru s SER 33 Ca 0.68 2.40 -0.18 0.00 0.48 0.00 0.00 55.95 59.33 1iru s SER 33 Cb -0.35 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.16 1iru s SER 33 CO 0.55 -1.77 1.19 0.00 0.98 0.00 0.00 173.24 174.19 1iru s ALA 34 N -1.67 2.45 0.03 5.32 0.00 -1.26 -4.48 121.76 122.16 1iru s ALA 34 Ca 0.77 0.92 -0.08 0.00 0.00 0.00 0.00 51.96 53.57 1iru s ALA 34 Cb -0.31 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.38 1iru s ALA 34 CO 0.37 -1.31 0.15 -0.08 0.00 0.00 0.00 175.76 174.88 1iru s THR 35 N -1.77 0.12 0.05 0.00 -1.32 -0.33 -2.44 115.64 109.94 1iru s THR 35 Ca 0.75 -0.95 0.03 0.00 -1.21 0.00 0.00 61.69 60.32 1iru s THR 35 Cb -0.29 -0.85 -0.03 0.00 -1.51 0.00 0.00 72.50 69.83 1iru s THR 35 CO 0.36 -0.52 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.45 1iru s VAL 36 N -2.44 0.79 -0.02 5.08 1.01 0.19 -2.11 120.40 122.91 1iru s VAL 36 Ca -0.06 -1.16 -0.03 0.00 0.00 0.00 0.00 61.98 60.73 1iru s VAL 36 Cb -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1iru s VAL 36 CO -0.03 -0.30 0.06 -0.83 0.00 0.00 0.00 175.10 174.00 1iru s GLY 37 N -1.62 -0.01 -0.01 4.51 0.00 0.26 -0.19 107.32 110.27 1iru s GLY 37 Ca -0.06 0.07 -0.28 0.00 0.00 0.00 0.00 44.72 44.45 1iru s GLY 37 CO 0.01 0.03 0.76 0.48 0.00 0.00 0.00 173.10 174.39 1iru s LEU 38 N -0.27 -0.52 0.04 0.66 0.05 -0.40 0.12 118.68 118.35 1iru s LEU 38 Ca -0.03 0.31 0.03 0.00 0.05 0.00 0.00 54.13 54.49 1iru s LEU 38 Cb -0.02 2.31 -0.02 0.00 -2.05 0.00 0.00 46.19 46.41 1iru s LEU 38 CO 0.00 -0.66 -0.10 -1.59 -0.55 0.00 0.00 176.35 173.46 1iru s LYS 39 N -2.27 0.65 0.00 1.48 -2.85 -1.22 0.12 119.74 115.65 1iru s LYS 39 Ca -0.03 -0.70 0.00 0.00 -1.00 0.00 0.00 55.97 54.25 1iru s LYS 39 Cb -0.01 -0.54 0.00 0.00 -2.06 0.00 0.00 37.83 35.23 1iru s LYS 39 CO -0.02 0.12 0.00 -1.13 0.10 0.00 0.00 175.35 174.42 1iru n SER 40 N 1.77 0.00 -0.22 0.03 3.41 0.53 -4.20 113.62 114.94 1iru n SER 40 Ca -0.20 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.44 1iru n SER 40 Cb 0.55 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.53 1iru n SER 40 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1iru n LYS 41 N 0.00 -0.03 0.00 4.33 2.85 -1.07 -4.61 118.16 119.63 1iru n LYS 41 Ca 0.00 -0.89 0.00 0.00 -1.05 0.00 0.00 58.31 56.37 1iru n LYS 41 Cb 0.00 -1.10 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 1iru n LYS 41 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1iru n THR 42 N 0.28 0.00 -3.90 0.58 -2.24 -1.26 -4.60 114.28 103.14 1iru n THR 42 Ca 0.03 -0.10 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 1iru n THR 42 Cb 0.15 1.11 -0.11 0.00 -2.10 0.00 0.00 70.33 69.38 1iru n THR 42 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1iru s HIS 43 N -0.17 0.08 -0.09 4.78 3.76 -1.26 -1.65 115.29 120.75 1iru s HIS 43 Ca 0.00 -0.18 0.03 0.00 -0.15 0.00 0.00 55.06 54.76 1iru s HIS 43 Cb 0.00 -0.08 -0.02 0.00 1.11 0.00 0.00 32.58 33.60 1iru s HIS 43 CO 0.00 -0.18 -0.17 0.00 -0.85 0.00 0.00 174.74 173.54 1iru s ALA 44 N -1.01 2.49 -0.03 -1.40 0.00 0.50 -0.35 121.76 121.96 1iru s ALA 44 Ca -0.11 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 50.91 1iru s ALA 44 Cb -0.06 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.09 1iru s ALA 44 CO 0.00 0.39 -0.07 0.08 0.00 0.00 0.00 175.76 176.15 1iru s VAL 45 N -0.10 0.69 -0.07 0.00 1.01 0.12 -2.13 120.40 119.92 1iru s VAL 45 Ca -0.03 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1iru s VAL 45 Cb -0.14 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 1iru s VAL 45 CO 0.04 0.23 -0.16 -0.76 0.00 0.00 0.00 175.10 174.45 1iru s LEU 46 N 0.37 2.61 -0.01 3.92 1.43 0.13 -1.28 118.68 125.85 1iru s LEU 46 Ca -0.05 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1iru s LEU 46 Cb -0.10 -1.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 1iru s LEU 46 CO 0.00 0.29 -0.06 -0.69 0.23 0.00 0.00 176.35 176.13 1iru s VAL 47 N -0.39 0.45 0.03 -1.59 1.01 0.73 0.65 120.40 121.29 1iru s VAL 47 Ca 0.04 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 1iru s VAL 47 Cb -0.12 -0.38 0.03 0.00 0.00 0.00 0.00 36.38 35.91 1iru s VAL 47 CO 0.02 0.13 0.39 0.00 0.00 0.00 0.00 175.10 175.64 1iru s ALA 48 N -0.09 -0.96 -0.24 5.51 0.00 0.02 0.57 121.76 126.56 1iru s ALA 48 Ca 0.02 0.33 -0.08 0.00 0.00 0.00 0.00 51.96 52.23 1iru s ALA 48 Cb -0.03 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 1iru s ALA 48 CO -0.00 -0.40 0.10 -1.17 0.00 0.00 0.00 175.76 174.28 1iru s LEU 49 N -1.82 3.70 0.04 0.00 2.96 -1.02 -1.53 118.68 121.01 1iru s LEU 49 Ca -0.07 -0.07 -0.10 0.00 -0.22 0.00 0.00 54.13 53.67 1iru s LEU 49 Cb -0.02 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 1iru s LEU 49 CO -0.00 0.03 0.36 -0.54 -1.32 0.00 0.00 176.35 174.88 1iru s LYS 50 N 1.27 3.74 0.16 1.98 1.02 0.44 -4.61 119.74 123.73 1iru s LYS 50 Ca 0.05 0.15 0.06 0.00 0.02 0.00 0.00 55.97 56.26 1iru s LYS 50 Cb -0.14 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.06 1iru s LYS 50 CO 0.04 0.61 0.03 1.03 -0.92 0.00 0.00 175.35 176.15 1iru s ARG 51 N -1.69 2.54 -0.09 1.68 0.52 -1.26 -4.75 118.95 115.89 1iru s ARG 51 Ca 0.29 -1.01 0.03 0.00 -0.52 0.00 0.00 55.73 54.53 1iru s ARG 51 Cb -0.14 -2.45 0.01 0.00 0.52 0.00 0.00 34.95 32.88 1iru s ARG 51 CO 0.16 0.48 -0.18 0.00 0.02 0.00 0.00 175.30 175.78 1iru s ALA 52 N -1.66 1.76 0.05 2.13 0.00 -1.26 -1.24 121.76 121.54 1iru s ALA 52 Ca 0.28 -0.73 -0.17 0.00 0.00 0.00 0.00 51.96 51.34 1iru s ALA 52 Cb -0.10 -0.73 -0.07 0.00 0.00 0.00 0.00 23.12 22.22 1iru s ALA 52 CO 0.20 0.16 1.27 1.96 0.00 0.00 0.00 175.76 179.35 1iru h GLN 53 N 6.93 -0.39 -5.12 0.00 4.20 -1.87 -3.45 115.11 115.41 1iru h GLN 53 Ca -0.26 0.03 -0.67 0.00 0.06 0.00 0.00 58.65 57.81 1iru h GLN 53 Cb 1.21 0.09 -0.13 0.00 0.30 0.00 0.00 27.48 28.95 1iru h GLN 53 CO 0.48 -0.26 -0.50 -1.54 -0.67 0.00 0.00 178.83 176.34 1iru s SER 54 N -3.44 3.95 0.49 1.46 1.04 -1.26 -5.04 113.70 110.89 1iru s SER 54 Ca -0.08 -1.70 0.28 0.00 0.48 0.00 0.00 55.95 54.93 1iru s SER 54 Cb 0.03 0.63 0.96 0.00 0.10 0.00 0.00 66.02 67.74 1iru s SER 54 CO 0.29 -0.92 1.83 1.05 0.98 0.00 0.00 173.24 176.48 1iru h GLU 55 N 1.37 0.00 -0.01 4.02 4.11 -2.00 -2.98 114.58 119.08 1iru h GLU 55 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 1iru h GLU 55 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1iru h GLU 55 CO 0.70 0.07 -0.05 1.28 0.07 0.00 0.00 179.01 181.08 1iru n LEU 56 N -3.17 1.47 -4.88 3.06 4.77 -1.26 -4.90 117.00 112.09 1iru n LEU 56 Ca 0.01 -0.47 -0.24 0.00 -0.03 0.00 0.00 56.01 55.28 1iru n LEU 56 Cb 0.41 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 1iru n LEU 56 CO 0.31 0.25 -0.13 0.00 -1.33 0.00 0.00 177.39 176.49 1iru s ALA 57 N -2.10 3.77 0.74 -1.18 0.00 -1.13 -5.11 121.76 116.74 1iru s ALA 57 Ca 0.35 -1.22 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 1iru s ALA 57 Cb 0.21 -1.55 0.05 0.00 0.00 0.00 0.00 23.12 21.83 1iru s ALA 57 CO 0.37 0.39 1.09 0.00 0.00 0.00 0.00 175.76 177.61 1iru s ALA 58 N -1.90 2.89 0.20 0.00 0.00 -1.26 -4.79 121.76 116.90 1iru s ALA 58 Ca 0.33 -0.62 -0.23 0.00 0.00 0.00 0.00 51.96 51.44 1iru s ALA 58 Cb -0.09 -2.87 -0.08 0.00 0.00 0.00 0.00 23.12 20.07 1iru s ALA 58 CO 0.26 -1.36 0.77 -1.01 0.00 0.00 0.00 175.76 174.42 1iru s HIS 59 N -3.39 3.77 0.48 0.00 3.76 -1.26 -4.49 115.29 114.18 1iru s HIS 59 Ca 0.60 1.54 -0.24 0.00 -0.15 0.00 0.00 55.06 56.81 1iru s HIS 59 Cb -0.11 -2.71 -0.07 0.00 1.11 0.00 0.00 32.58 30.80 1iru s HIS 59 CO 0.48 0.41 1.37 -0.65 -0.85 0.00 0.00 174.74 175.50 1iru s GLN 60 N -1.59 3.50 0.48 1.40 -1.52 -0.37 -4.91 119.66 116.65 1iru s GLN 60 Ca 0.40 2.27 -0.22 0.00 -1.95 0.00 0.00 55.36 55.85 1iru s GLN 60 Cb -0.20 -2.49 -0.07 0.00 -0.22 0.00 0.00 33.01 30.04 1iru s GLN 60 CO 0.24 -0.91 1.18 0.15 -0.25 0.00 0.00 175.29 175.70 1iru s LYS 61 N -2.63 3.65 0.00 2.91 1.02 -1.26 -4.61 119.74 118.82 1iru s LYS 61 Ca 0.65 1.82 0.00 0.00 0.02 0.00 0.00 55.97 58.46 1iru s LYS 61 Cb -0.41 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 1iru s LYS 61 CO 0.50 -0.65 0.00 1.63 -0.92 0.00 0.00 175.35 175.91 1iru n LYS 62 N -0.61 3.75 -5.16 1.68 4.76 -1.26 -4.93 118.16 116.39 1iru n LYS 62 Ca 0.08 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.21 1iru n LYS 62 Cb 0.48 -0.43 -0.17 0.00 -1.84 0.00 0.00 35.03 33.07 1iru n LYS 62 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1iru s ILE 63 N -0.31 1.95 0.04 -0.18 1.01 -1.26 -0.44 121.20 122.02 1iru s ILE 63 Ca 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.72 1iru s ILE 63 Cb 0.00 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 1iru s ILE 63 CO 0.00 0.54 -0.12 -0.76 0.00 0.00 0.00 174.94 174.60 1iru s LEU 64 N 0.25 2.19 -0.15 2.97 1.43 0.17 -4.96 118.68 120.58 1iru s LEU 64 Ca -0.15 -0.47 -0.24 0.00 -1.03 0.00 0.00 54.13 52.25 1iru s LEU 64 Cb -0.17 -0.46 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 1iru s LEU 64 CO 0.07 -0.03 0.75 -2.28 0.23 0.00 0.00 176.35 175.09 1iru s HIS 65 N -0.96 3.45 -0.21 0.29 5.65 -1.26 -0.61 115.29 121.63 1iru s HIS 65 Ca -0.01 1.18 -0.16 0.00 0.25 0.00 0.00 55.06 56.32 1iru s HIS 65 Cb -0.08 -2.92 -0.09 0.00 -1.18 0.00 0.00 32.58 28.32 1iru s HIS 65 CO 0.01 -0.14 -0.29 0.28 -0.65 0.00 0.00 174.74 173.95 1iru n VAL 66 N 4.49 1.50 -3.90 0.89 0.31 -0.42 -4.96 118.33 116.24 1iru n VAL 66 Ca 0.02 -0.04 -0.08 0.00 -0.01 0.00 0.00 64.34 64.22 1iru n VAL 66 Cb 0.50 -2.17 -0.04 0.00 -0.91 0.00 0.00 33.84 31.21 1iru n VAL 66 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1iru s ASP 67 N -6.50 -0.18 0.51 4.52 2.15 -0.50 -4.66 116.67 112.01 1iru s ASP 67 Ca -0.31 -0.73 0.36 0.00 0.43 0.00 0.00 52.55 52.30 1iru s ASP 67 Cb 0.08 0.64 1.51 0.00 -0.30 0.00 0.00 42.92 44.84 1iru s ASP 67 CO 0.44 -1.20 1.73 0.78 -0.17 0.00 0.00 175.17 176.75 1iru h ASN 68 N 2.15 0.10 -0.38 -0.34 2.35 -1.98 0.17 115.58 117.66 1iru h ASN 68 Ca -0.24 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1iru h ASN 68 Cb 1.25 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.64 1iru h ASN 68 CO 0.31 -0.01 0.00 0.00 -1.65 0.00 0.00 177.43 176.08 1iru n HIS 69 N -4.27 0.50 -3.81 1.19 1.44 -1.26 -1.04 115.22 107.98 1iru n HIS 69 Ca 0.31 -0.46 -0.13 0.00 -2.01 0.00 0.00 57.72 55.43 1iru n HIS 69 Cb 1.36 -0.02 -0.12 0.00 0.12 0.00 0.00 29.99 31.33 1iru n HIS 69 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1iru s ILE 70 N -1.01 0.00 0.14 0.61 1.01 0.59 -1.60 121.20 120.95 1iru s ILE 70 Ca 0.26 -0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.80 1iru s ILE 70 Cb 0.14 -0.28 -0.00 0.00 0.01 0.00 0.00 42.46 42.32 1iru s ILE 70 CO 0.18 -0.01 0.27 -0.83 0.00 0.00 0.00 174.94 174.55 1iru s GLY 71 N 0.06 0.32 0.10 6.18 0.00 -0.67 -1.30 107.32 112.01 1iru s GLY 71 Ca -0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 44.72 43.91 1iru s GLY 71 CO 0.00 -0.78 0.12 -0.26 0.00 0.00 0.00 173.10 172.18 1iru s ILE 72 N -3.93 0.14 0.05 0.90 -4.36 0.21 -1.65 121.20 112.56 1iru s ILE 72 Ca 0.13 -1.53 0.09 0.00 -0.26 0.00 0.00 60.65 59.07 1iru s ILE 72 Cb 0.03 -1.63 -0.03 0.00 1.25 0.00 0.00 42.46 42.09 1iru s ILE 72 CO -0.04 -0.63 -0.24 -0.94 0.24 0.00 0.00 174.94 173.33 1iru s SER 73 N -2.94 2.93 0.23 4.36 1.04 -0.73 0.43 113.70 119.02 1iru s SER 73 Ca 0.12 -0.57 0.11 0.00 0.48 0.00 0.00 55.95 56.09 1iru s SER 73 Cb 0.06 -0.26 -0.05 0.00 0.10 0.00 0.00 66.02 65.87 1iru s SER 73 CO -0.06 0.22 -0.20 0.27 0.98 0.00 0.00 173.24 174.45 1iru s ILE 74 N -0.81 2.26 -0.20 -1.02 -4.36 0.42 -2.18 121.20 115.32 1iru s ILE 74 Ca 0.10 -2.22 -0.07 0.00 -0.26 0.00 0.00 60.65 58.20 1iru s ILE 74 Cb -0.10 -2.16 0.09 0.00 1.25 0.00 0.00 42.46 41.54 1iru s ILE 74 CO 0.02 -0.34 0.43 0.00 0.24 0.00 0.00 174.94 175.29 1iru s ALA 75 N -2.29 -1.18 0.00 2.27 0.00 -1.18 -4.90 121.76 114.49 1iru s ALA 75 Ca 0.25 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1iru s ALA 75 Cb -0.05 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.78 1iru s ALA 75 CO 0.11 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.59 1iru n GLY 76 N 5.23 0.60 3.69 0.00 0.00 -1.25 -0.62 105.19 112.83 1iru n GLY 76 Ca -0.11 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 1iru n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iru n LEU 77 N 0.00 3.96 -0.19 0.99 4.77 0.88 -4.89 117.00 122.51 1iru n LEU 77 Ca 0.00 0.99 -0.08 0.00 -0.03 0.00 0.00 56.01 56.88 1iru n LEU 77 Cb 0.00 -1.52 0.02 0.00 -2.33 0.00 0.00 43.42 39.58 1iru n LEU 77 CO 0.00 0.14 0.93 0.71 -1.33 0.00 0.00 177.39 177.84 1iru h THR 78 N 4.72 1.24 -0.67 -5.08 1.35 -1.96 -2.17 112.91 110.33 1iru h THR 78 Ca -0.47 -0.80 0.07 0.00 -0.55 0.00 0.00 66.41 64.66 1iru h THR 78 Cb 1.23 0.72 -0.04 0.00 -1.73 0.00 0.00 68.15 68.33 1iru h THR 78 CO 0.94 0.30 0.45 0.00 -0.25 0.00 0.00 175.52 176.96 1iru h ALA 79 N 1.03 1.77 0.00 6.62 0.00 -1.98 0.30 119.26 127.00 1iru h ALA 79 Ca 0.18 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1iru h ALA 79 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1iru h ALA 79 CO -0.01 0.12 -0.70 -0.44 0.00 0.00 0.00 179.25 178.23 1iru h ASP 80 N 0.67 0.00 -0.20 0.00 5.19 -1.86 -2.41 116.42 117.80 1iru h ASP 80 Ca 0.29 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.67 1iru h ASP 80 Cb 0.29 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 1iru h ASP 80 CO -0.09 0.70 -0.01 0.00 -3.12 0.00 0.00 179.24 176.71 1iru h ALA 81 N 1.30 0.28 -0.74 3.45 0.00 -0.35 -1.94 119.26 121.26 1iru h ALA 81 Ca -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1iru h ALA 81 Cb 1.28 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1iru h ALA 81 CO 0.09 0.01 0.44 0.00 0.00 0.00 0.00 179.25 179.79 1iru h ARG 82 N 0.12 1.00 0.45 0.00 3.08 -1.12 0.37 114.38 118.28 1iru h ARG 82 Ca 0.06 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1iru h ARG 82 Cb 0.43 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1iru h ARG 82 CO 0.01 0.71 -0.21 -0.07 -1.07 0.00 0.00 179.97 179.33 1iru h LEU 83 N 1.02 -0.51 -0.97 3.04 3.38 -1.27 -0.82 115.31 119.18 1iru h LEU 83 Ca 0.27 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1iru h LEU 83 Cb -0.03 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1iru h LEU 83 CO -0.05 -0.29 0.52 -0.07 0.09 0.00 0.00 178.44 178.64 1iru h LEU 84 N -0.70 1.10 -0.25 1.67 3.38 -1.12 -1.23 115.31 118.15 1iru h LEU 84 Ca -0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1iru h LEU 84 Cb 0.51 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1iru h LEU 84 CO 0.10 0.86 0.14 0.00 0.09 0.00 0.00 178.44 179.62 1iru h ASN 86 N 0.29 0.21 -0.10 0.00 2.35 -0.84 0.30 115.58 117.79 1iru h ASN 86 Ca 0.09 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1iru h ASN 86 Cb 0.07 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1iru h ASN 86 CO -0.01 0.39 -0.04 0.15 -1.65 0.00 0.00 177.43 176.27 1iru h PHE 87 N 0.21 0.23 -0.97 1.19 3.57 -0.85 -1.01 116.94 119.31 1iru h PHE 87 Ca 0.04 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1iru h PHE 87 Cb 0.41 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 1iru h PHE 87 CO 0.01 0.53 0.63 0.52 -2.23 0.00 0.00 178.31 177.77 1iru h MET 88 N -0.14 1.16 -0.34 1.11 2.86 -0.03 0.17 114.93 119.72 1iru h MET 88 Ca 0.02 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 1iru h MET 88 Cb 0.47 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1iru h MET 88 CO 0.01 0.77 -0.07 0.00 1.06 0.00 0.00 176.91 178.68 1iru h ARG 89 N 1.20 0.66 0.15 1.72 3.08 -0.32 -2.46 114.38 118.41 1iru h ARG 89 Ca 0.39 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1iru h ARG 89 Cb 0.05 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1iru h ARG 89 CO -0.13 0.82 -0.07 0.37 -1.07 0.00 0.00 179.97 179.88 1iru h GLN 90 N 0.45 -0.20 -0.97 0.04 5.75 -0.64 -0.86 115.11 118.69 1iru h GLN 90 Ca 0.09 0.01 0.15 0.00 -0.15 0.00 0.00 58.65 58.75 1iru h GLN 90 Cb 0.56 0.04 -0.08 0.00 1.07 0.00 0.00 27.48 29.08 1iru h GLN 90 CO 0.03 -0.04 0.61 0.93 -2.65 0.00 0.00 178.83 177.72 1iru h GLU 91 N -0.32 0.80 -0.12 1.69 4.39 -0.98 -0.80 114.58 119.24 1iru h GLU 91 Ca -0.02 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1iru h GLU 91 Cb 0.25 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1iru h GLU 91 CO 0.03 0.53 -0.10 0.00 -1.16 0.00 0.00 179.01 178.31 1iru h LEU 93 N -0.10 0.66 -0.51 0.00 3.38 -0.20 -1.07 115.31 117.46 1iru h LEU 93 Ca 0.02 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1iru h LEU 93 Cb 0.61 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1iru h LEU 93 CO 0.03 0.37 0.12 0.44 0.09 0.00 0.00 178.44 179.48 1iru h ASP 94 N 0.72 0.79 -0.09 -0.43 3.32 -1.07 -1.44 116.42 118.22 1iru h ASP 94 Ca 0.40 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 57.23 1iru h ASP 94 Cb 0.56 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1iru h ASP 94 CO -0.17 0.83 -0.01 -1.28 -1.72 0.00 0.00 179.24 176.89 1iru h SER 95 N 0.72 -0.05 -0.82 6.45 0.87 -0.85 -0.16 113.55 119.71 1iru h SER 95 Ca 0.16 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1iru h SER 95 Cb 0.35 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.31 1iru h SER 95 CO 0.00 -0.01 0.44 0.03 -0.53 0.00 0.00 176.83 176.76 1iru h ARG 96 N 0.02 1.15 0.39 2.24 3.08 -1.31 0.27 114.38 120.23 1iru h ARG 96 Ca 0.04 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1iru h ARG 96 Cb 0.05 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1iru h ARG 96 CO -0.08 0.85 -0.19 0.35 -1.07 0.00 0.00 179.97 179.84 1iru h PHE 97 N 1.16 -0.49 0.04 3.04 3.57 -0.66 0.37 116.94 123.97 1iru h PHE 97 Ca 0.29 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 1iru h PHE 97 Cb 0.05 0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1iru h PHE 97 CO 0.01 -0.25 -0.02 0.28 -2.23 0.00 0.00 178.31 176.10 1iru h VAL 98 N -0.62 1.33 -0.01 1.41 2.07 -0.96 -3.38 116.25 116.09 1iru h VAL 98 Ca -0.05 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1iru h VAL 98 Cb 0.46 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1iru h VAL 98 CO 0.09 0.38 -0.79 0.49 0.02 0.00 0.00 177.57 177.75 1iru n PHE 99 N -4.78 0.00 -3.23 1.57 3.01 0.92 -4.99 117.46 109.97 1iru n PHE 99 Ca -0.08 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.14 1iru n PHE 99 Cb 0.33 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.82 1iru n PHE 99 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1iru n ASP 100 N -0.92 -5.42 -3.83 4.37 2.03 0.13 -4.96 116.55 107.95 1iru n ASP 100 Ca 0.06 -0.37 -0.11 0.00 0.52 0.00 0.00 54.79 54.89 1iru n ASP 100 Cb 0.38 -4.38 -0.09 0.00 -0.72 0.00 0.00 41.12 36.31 1iru n ASP 100 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iru s ARG 101 N -5.91 0.65 0.33 -0.67 1.70 -1.26 -4.98 118.95 108.81 1iru s ARG 101 Ca 0.38 -0.49 -0.28 0.00 -0.47 0.00 0.00 55.73 54.87 1iru s ARG 101 Cb -0.18 0.27 -0.09 0.00 -0.57 0.00 0.00 34.95 34.38 1iru s ARG 101 CO 0.47 -0.18 1.15 -1.25 -1.08 0.00 0.00 175.30 174.40 1iru s PRO 102 N -2.08 4.42 -0.07 3.89 0.04 -1.26 -3.47 135.00 136.47 1iru s PRO 102 Ca -0.09 1.86 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 1iru s PRO 102 Cb -0.03 -3.00 -0.06 0.00 0.04 0.00 0.00 34.50 31.45 1iru s PRO 102 CO -0.01 -0.00 1.90 -1.17 0.04 0.00 0.00 177.00 177.75 1iru s LEU 103 N -1.84 4.14 -0.16 -3.56 2.96 -1.26 -4.88 118.68 114.07 1iru s LEU 103 Ca 0.49 2.27 -0.38 0.00 -0.22 0.00 0.00 54.13 56.30 1iru s LEU 103 Cb -0.32 -3.53 -0.14 0.00 0.50 0.00 0.00 46.19 42.70 1iru s LEU 103 CO 0.41 -1.24 1.74 -2.65 -1.32 0.00 0.00 176.35 173.29 1iru n PRO 104 N 7.72 1.52 -0.31 0.98 -0.02 -1.26 -4.79 135.00 138.83 1iru n PRO 104 Ca 0.21 0.55 0.16 0.00 -2.02 0.00 0.00 63.50 62.40 1iru n PRO 104 Cb 0.43 -2.29 0.34 0.00 -0.02 0.00 0.00 33.50 31.96 1iru n PRO 104 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1iru h VAL 105 N 5.01 0.36 -0.29 -1.45 2.07 -1.94 0.18 116.25 120.21 1iru h VAL 105 Ca -0.47 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 1iru h VAL 105 Cb 1.30 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1iru h VAL 105 CO 0.93 0.05 -0.14 0.77 0.02 0.00 0.00 177.57 179.21 1iru h SER 106 N 0.30 0.48 0.13 0.57 4.64 -2.00 -1.66 113.55 116.00 1iru h SER 106 Ca 0.60 -0.13 -0.13 0.00 -0.47 0.00 0.00 61.79 61.66 1iru h SER 106 Cb 1.23 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1iru h SER 106 CO -0.61 0.65 -0.45 0.03 -0.87 0.00 0.00 176.83 175.58 1iru h ARG 107 N 0.45 0.39 -0.66 4.77 3.08 -1.02 -2.02 114.38 119.38 1iru h ARG 107 Ca 0.08 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.84 1iru h ARG 107 Cb 0.51 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 1iru h ARG 107 CO 0.03 0.77 0.11 1.25 -1.07 0.00 0.00 179.97 181.07 1iru h LEU 108 N 0.32 1.04 -1.07 3.04 5.85 -0.92 -2.61 115.31 120.96 1iru h LEU 108 Ca 0.02 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 1iru h LEU 108 Cb 0.92 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1iru h LEU 108 CO 0.08 1.04 0.19 0.58 -0.34 0.00 0.00 178.44 179.99 1iru h VAL 109 N 1.01 1.22 -0.08 1.05 2.07 -0.96 -1.69 116.25 118.87 1iru h VAL 109 Ca 0.20 -0.73 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1iru h VAL 109 Cb 0.43 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1iru h VAL 109 CO 0.01 0.28 -0.22 0.28 0.02 0.00 0.00 177.57 177.94 1iru h SER 110 N 0.84 0.13 -0.17 0.57 0.02 -1.05 -0.88 113.55 113.00 1iru h SER 110 Ca 0.19 -0.03 -0.20 0.00 -0.84 0.00 0.00 61.79 60.91 1iru h SER 110 Cb 0.22 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1iru h SER 110 CO -0.01 0.36 -0.66 -0.07 -1.14 0.00 0.00 176.83 175.30 1iru h LEU 111 N 0.12 0.91 -0.57 5.07 3.38 -0.97 -1.00 115.31 122.25 1iru h LEU 111 Ca 0.02 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 1iru h LEU 111 Cb 0.47 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1iru h LEU 111 CO 0.03 1.34 0.23 0.40 0.09 0.00 0.00 178.44 180.53 1iru h ILE 112 N 0.57 1.22 -0.38 1.22 2.04 -0.98 0.26 117.51 121.48 1iru h ILE 112 Ca -0.02 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.19 1iru h ILE 112 Cb 1.28 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 1iru h ILE 112 CO 0.14 0.27 0.14 1.23 0.00 0.00 0.00 178.15 179.93 1iru h GLY 113 N 0.78 0.49 1.01 5.37 0.00 -1.00 0.98 103.07 110.70 1iru h GLY 113 Ca 0.19 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.32 1iru h GLY 113 CO -0.02 0.04 -0.26 1.76 0.00 0.00 0.00 176.54 178.06 1iru h SER 114 N 0.30 0.81 -0.38 0.19 0.02 -0.77 -2.70 113.55 111.01 1iru h SER 114 Ca 0.17 -0.45 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 1iru h SER 114 Cb 0.14 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1iru h SER 114 CO -0.17 1.09 0.11 0.50 -1.14 0.00 0.00 176.83 177.22 1iru h LYS 115 N 0.55 0.60 0.00 3.45 3.64 -0.17 -2.83 116.57 121.81 1iru h LYS 115 Ca 0.06 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1iru h LYS 115 Cb 0.83 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1iru h LYS 115 CO 0.07 0.62 0.00 0.25 -2.27 0.00 0.00 179.45 178.12 1iru n THR 116 N -4.60 0.09 0.05 1.00 -2.24 0.31 -3.49 114.28 105.40 1iru n THR 116 Ca -0.01 0.02 -0.21 0.00 -2.27 0.00 0.00 64.05 61.59 1iru n THR 116 Cb 0.19 -0.56 -0.15 0.00 -2.10 0.00 0.00 70.33 67.71 1iru n THR 116 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1iru h GLN 117 N 0.00 0.31 -0.79 -0.78 -0.00 -1.22 -3.39 115.11 109.24 1iru h GLN 117 Ca 0.00 -0.52 0.07 0.00 -0.00 0.00 0.00 58.65 58.20 1iru h GLN 117 Cb 0.29 0.20 -0.09 0.00 0.00 0.00 0.00 27.48 27.87 1iru h GLN 117 CO 0.00 1.25 -0.47 0.82 0.00 0.00 0.00 178.83 180.43 1iru h ILE 118 N -0.33 0.00 -0.01 2.39 2.04 -1.58 0.28 117.51 120.30 1iru h ILE 118 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1iru h ILE 118 Cb 1.70 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1iru h ILE 118 CO 0.14 0.00 0.09 1.55 0.00 0.00 0.00 178.15 179.94 1iru h PRO 119 N -0.00 0.00 0.00 2.37 0.13 -1.77 -1.12 132.00 131.61 1iru h PRO 119 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1iru h PRO 119 Cb 0.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 1iru h PRO 119 CO -0.74 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 177.28 1iru n THR 120 N -3.10 0.29 0.44 1.56 -2.24 0.08 -3.46 114.28 107.85 1iru n THR 120 Ca -0.03 0.06 0.05 0.00 -2.27 0.00 0.00 64.05 61.86 1iru n THR 120 Cb 0.16 -0.64 -0.01 0.00 -2.10 0.00 0.00 70.33 67.74 1iru n THR 120 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1iru n GLN 121 N -1.54 2.43 -4.52 -0.78 7.27 -0.43 -4.54 117.38 115.28 1iru n GLN 121 Ca 0.06 -0.49 -0.34 0.00 0.07 0.00 0.00 57.00 56.30 1iru n GLN 121 Cb 0.30 -1.05 -0.12 0.00 2.41 0.00 0.00 30.24 31.78 1iru n GLN 121 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1iru s ARG 122 N -1.44 3.17 0.23 3.69 0.52 -1.21 -4.83 118.95 119.07 1iru s ARG 122 Ca 0.07 -0.53 -0.32 0.00 -0.52 0.00 0.00 55.73 54.44 1iru s ARG 122 Cb 0.08 -2.74 -0.13 0.00 0.52 0.00 0.00 34.95 32.68 1iru s ARG 122 CO 0.27 0.48 1.57 0.98 0.02 0.00 0.00 175.30 178.62 1iru n TYR 123 N 2.79 2.49 0.00 -0.53 9.36 -1.26 -1.85 117.16 128.16 1iru n TYR 123 Ca -0.18 0.26 0.00 0.00 3.32 0.00 0.00 57.90 61.30 1iru n TYR 123 Cb 0.53 -2.56 0.00 0.00 -0.63 0.00 0.00 39.34 36.68 1iru n TYR 123 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1iru n GLY 124 N 2.87 2.06 3.95 2.98 0.00 -1.26 -5.04 105.19 110.76 1iru n GLY 124 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1iru n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iru s ARG 125 N -0.45 3.30 0.13 1.61 1.81 -0.77 -5.10 118.95 119.48 1iru s ARG 125 Ca 0.00 -0.46 0.07 0.00 -1.72 0.00 0.00 55.73 53.61 1iru s ARG 125 Cb 0.00 -2.65 -0.04 0.00 -0.45 0.00 0.00 34.95 31.82 1iru s ARG 125 CO 0.00 -0.00 -0.16 -0.98 -0.68 0.00 0.00 175.30 173.48 1iru s ARG 126 N -4.38 1.09 0.71 3.54 1.70 -1.26 -4.54 118.95 115.80 1iru s ARG 126 Ca 0.43 -1.27 -0.14 0.00 -0.47 0.00 0.00 55.73 54.28 1iru s ARG 126 Cb -0.10 -1.04 0.03 0.00 -0.57 0.00 0.00 34.95 33.27 1iru s ARG 126 CO 0.36 0.21 1.13 -2.14 -1.08 0.00 0.00 175.30 173.78 1iru s PRO 127 N -2.62 2.46 0.31 3.89 0.02 -1.26 -4.66 135.00 133.13 1iru s PRO 127 Ca 0.10 1.46 -0.29 0.00 0.02 0.00 0.00 61.00 62.30 1iru s PRO 127 Cb -0.06 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 1iru s PRO 127 CO 0.04 -1.53 1.28 0.71 -0.33 0.00 0.00 177.00 177.17 1iru s TYR 128 N -2.34 3.14 -0.90 6.54 1.51 -1.26 -4.92 117.35 119.12 1iru s TYR 128 Ca 0.68 1.42 -0.01 0.00 -1.01 0.00 0.00 57.07 58.15 1iru s TYR 128 Cb -0.22 -3.62 0.34 0.00 -0.11 0.00 0.00 41.96 38.34 1iru s TYR 128 CO 0.45 -1.71 1.87 0.41 -1.11 0.00 0.00 175.55 175.47 1iru n GLY 129 N 1.05 5.80 3.37 0.71 0.00 -1.26 -4.36 105.19 110.50 1iru n GLY 129 Ca 0.01 -2.54 -0.14 0.00 0.00 0.00 0.00 46.02 43.34 1iru n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iru s VAL 130 N -4.78 0.02 0.32 1.61 0.11 -1.26 -0.09 120.40 116.33 1iru s VAL 130 Ca 0.46 -0.14 0.07 0.00 -2.93 0.00 0.00 61.98 59.44 1iru s VAL 130 Cb 0.33 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 1iru s VAL 130 CO -0.28 -0.08 0.32 -0.83 -3.33 0.00 0.00 175.10 170.90 1iru s GLY 131 N -0.51 1.66 -0.10 6.54 0.00 0.21 -3.73 107.32 111.39 1iru s GLY 131 Ca -0.06 -1.56 -0.11 0.00 0.00 0.00 0.00 44.72 43.00 1iru s GLY 131 CO 0.04 -1.50 0.30 1.08 0.00 0.00 0.00 173.10 173.01 1iru s LEU 132 N -4.02 0.87 -0.16 0.66 1.43 -0.56 -3.08 118.68 113.82 1iru s LEU 132 Ca 0.40 0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 54.05 1iru s LEU 132 Cb -0.07 1.03 -0.01 0.00 0.03 0.00 0.00 46.19 47.17 1iru s LEU 132 CO 0.28 -0.13 -0.10 -0.76 0.23 0.00 0.00 176.35 175.87 1iru s LEU 133 N 0.05 2.80 -0.17 1.79 1.43 -0.93 -1.50 118.68 122.16 1iru s LEU 133 Ca -0.01 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1iru s LEU 133 Cb -0.02 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 1iru s LEU 133 CO 0.01 0.10 -0.11 -0.63 0.23 0.00 0.00 176.35 175.94 1iru s ILE 134 N 0.77 2.96 -0.19 -0.59 1.01 0.68 -1.78 121.20 124.05 1iru s ILE 134 Ca -0.04 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 1iru s ILE 134 Cb -0.15 -2.28 -0.00 0.00 0.01 0.00 0.00 42.46 40.04 1iru s ILE 134 CO 0.01 0.49 -0.10 0.00 0.00 0.00 0.00 174.94 175.34 1iru s ALA 135 N 0.93 2.64 0.29 9.38 0.00 -0.66 -0.90 121.76 133.45 1iru s ALA 135 Ca -0.02 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 1iru s ALA 135 Cb -0.15 -1.47 -0.00 0.00 0.00 0.00 0.00 23.12 21.50 1iru s ALA 135 CO -0.01 -0.28 0.46 0.20 0.00 0.00 0.00 175.76 176.13 1iru s GLY 136 N 1.21 1.01 -0.20 0.00 0.00 -0.81 -1.67 107.32 106.86 1iru s GLY 136 Ca 0.02 -1.22 -0.04 0.00 0.00 0.00 0.00 44.72 43.49 1iru s GLY 136 CO -0.04 -0.84 0.21 -0.47 0.00 0.00 0.00 173.10 171.96 1iru s TYR 137 N -3.54 -0.23 0.11 1.90 5.04 -0.63 -0.75 117.35 119.26 1iru s TYR 137 Ca 0.27 0.18 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 1iru s TYR 137 Cb -0.00 -0.39 -0.00 0.00 0.35 0.00 0.00 41.96 41.92 1iru s TYR 137 CO 0.14 -0.58 0.01 -0.40 -1.34 0.00 0.00 175.55 173.37 1iru n ASP 138 N 5.32 2.09 -0.30 4.32 5.68 -0.81 -4.85 116.55 127.99 1iru n ASP 138 Ca -0.06 -1.49 0.00 0.00 -0.50 0.00 0.00 54.79 52.75 1iru n ASP 138 Cb 0.49 0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1iru n ASP 138 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1iru n ASP 139 N -1.21 0.20 -0.06 -1.12 5.68 -1.26 0.04 116.55 118.82 1iru n ASP 139 Ca -0.04 -0.66 0.03 0.00 -0.50 0.00 0.00 54.79 53.62 1iru n ASP 139 Cb 0.14 -0.10 0.04 0.00 -1.14 0.00 0.00 41.12 40.06 1iru n ASP 139 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1iru n MET 140 N 0.01 1.86 0.00 0.11 2.81 -1.26 -5.12 117.12 115.53 1iru n MET 140 Ca 0.00 -1.64 0.00 0.00 -1.81 0.00 0.00 57.70 54.25 1iru n MET 140 Cb 0.05 -1.04 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 1iru n MET 140 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iru n GLY 141 N -0.67 -1.75 3.76 3.03 0.00 0.11 -4.95 105.19 104.72 1iru n GLY 141 Ca 0.05 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 1iru n GLY 141 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1iru s PRO 142 N 0.00 2.67 -0.07 1.61 0.02 -1.26 -1.93 135.00 136.04 1iru s PRO 142 Ca 0.00 1.43 -0.16 0.00 0.02 0.00 0.00 61.00 62.29 1iru s PRO 142 Cb 0.00 -1.93 0.03 0.00 0.02 0.00 0.00 34.50 32.62 1iru s PRO 142 CO 0.00 -1.36 0.38 -1.01 -0.33 0.00 0.00 177.00 174.68 1iru s HIS 143 N -2.32 -0.33 -0.18 6.54 3.76 0.07 -4.94 115.29 117.90 1iru s HIS 143 Ca 0.68 0.66 -0.03 0.00 -0.15 0.00 0.00 55.06 56.22 1iru s HIS 143 Cb -0.21 0.14 0.06 0.00 1.11 0.00 0.00 32.58 33.68 1iru s HIS 143 CO 0.43 -0.34 0.04 0.42 -0.85 0.00 0.00 174.74 174.44 1iru s ILE 144 N -0.69 0.45 0.30 0.60 -1.09 -1.24 -1.93 121.20 117.59 1iru s ILE 144 Ca -0.08 -0.47 0.09 0.00 -2.23 0.00 0.00 60.65 57.96 1iru s ILE 144 Cb -0.04 -0.95 -0.04 0.00 -1.58 0.00 0.00 42.46 39.85 1iru s ILE 144 CO 0.03 -0.18 0.07 -0.36 -1.23 0.00 0.00 174.94 173.27 1iru s PHE 145 N 1.90 2.73 -0.00 3.97 0.40 -0.08 0.07 117.98 126.96 1iru s PHE 145 Ca -0.00 -0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.07 1iru s PHE 145 Cb -0.17 -1.41 -0.01 0.00 0.51 0.00 0.00 43.02 41.95 1iru s PHE 145 CO -0.08 0.49 -0.09 -1.14 0.70 0.00 0.00 175.22 175.10 1iru s GLN 146 N -3.76 0.74 -0.01 0.44 0.74 -0.14 -0.23 119.66 117.43 1iru s GLN 146 Ca 0.34 -0.35 0.02 0.00 0.05 0.00 0.00 55.36 55.42 1iru s GLN 146 Cb -0.05 -0.71 -0.00 0.00 1.10 0.00 0.00 33.01 33.35 1iru s GLN 146 CO 0.21 0.19 -0.06 0.95 -0.55 0.00 0.00 175.29 176.03 1iru s THR 147 N -0.26 0.54 0.32 -0.34 -4.23 -0.56 0.48 115.64 111.59 1iru s THR 147 Ca 0.03 -0.26 0.10 0.00 -1.18 0.00 0.00 61.69 60.37 1iru s THR 147 Cb -0.04 -0.48 -0.06 0.00 1.34 0.00 0.00 72.50 73.26 1iru s THR 147 CO -0.00 0.17 -0.12 0.00 -0.54 0.00 0.00 174.62 174.13 1iru h PRO 149 N 2.13 0.00 -6.28 0.00 0.11 -1.76 -3.33 132.00 122.88 1iru h PRO 149 Ca -0.41 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.15 1iru h PRO 149 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1iru h PRO 149 CO 0.67 0.00 0.19 -1.54 -0.21 0.00 0.00 178.00 177.12 1iru s SER 150 N -5.20 7.21 0.00 -2.05 1.04 -1.26 -4.24 113.70 109.20 1iru s SER 150 Ca -0.05 1.45 0.00 0.00 0.48 0.00 0.00 55.95 57.83 1iru s SER 150 Cb 0.22 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.86 1iru s SER 150 CO 0.79 -0.06 0.07 0.00 0.98 0.00 0.00 173.24 175.02 1iru n ALA 151 N 3.20 0.67 -1.79 5.32 0.00 -1.25 -4.69 120.51 121.98 1iru n ALA 151 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1iru n ALA 151 Cb 0.50 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 1iru n ALA 151 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1iru s ASN 152 N -1.07 6.22 0.06 0.00 3.84 -1.26 -4.53 114.94 118.20 1iru s ASN 152 Ca 0.00 2.05 -0.05 0.00 0.21 0.00 0.00 52.86 55.07 1iru s ASN 152 Cb 0.00 -2.57 -0.02 0.00 -0.55 0.00 0.00 41.25 38.11 1iru s ASN 152 CO 0.00 -0.87 0.07 -0.72 -2.79 0.00 0.00 177.10 172.79 1iru s TYR 153 N -1.83 0.33 0.01 0.43 -0.85 -1.26 -1.88 117.35 112.30 1iru s TYR 153 Ca 0.67 -0.80 0.01 0.00 -0.52 0.00 0.00 57.07 56.43 1iru s TYR 153 Cb -0.20 -0.22 -0.01 0.00 0.38 0.00 0.00 41.96 41.90 1iru s TYR 153 CO 0.24 -0.44 -0.05 -0.06 -1.52 0.00 0.00 175.55 173.72 1iru s PHE 154 N -3.72 0.43 -0.28 -3.49 0.40 0.18 -4.95 117.98 106.56 1iru s PHE 154 Ca 0.05 -0.24 -0.15 0.00 -0.60 0.00 0.00 56.93 55.99 1iru s PHE 154 Cb 0.05 -0.27 -0.03 0.00 0.51 0.00 0.00 43.02 43.28 1iru s PHE 154 CO -0.10 -0.05 0.38 0.34 0.70 0.00 0.00 175.22 176.49 1iru s ASP 155 N -0.67 6.25 0.23 1.36 2.15 -1.26 -0.96 116.67 123.77 1iru s ASP 155 Ca -0.04 0.26 0.10 0.00 0.43 0.00 0.00 52.55 53.30 1iru s ASP 155 Cb -0.05 -2.21 -0.04 0.00 -0.30 0.00 0.00 42.92 40.32 1iru s ASP 155 CO -0.00 -0.20 -0.09 0.00 -0.17 0.00 0.00 175.17 174.71 1iru h ARG 157 N 2.43 0.11 -2.09 0.00 2.43 -1.94 -3.36 114.38 111.96 1iru h ARG 157 Ca -0.45 -0.19 0.16 0.00 -0.81 0.00 0.00 59.98 58.69 1iru h ARG 157 Cb 1.23 0.07 -0.15 0.00 -0.42 0.00 0.00 29.97 30.70 1iru h ARG 157 CO 0.57 0.80 0.57 0.00 -1.51 0.00 0.00 179.97 180.40 1iru s ALA 158 N -2.59 -1.87 0.01 2.80 0.00 -1.26 -3.38 121.76 115.48 1iru s ALA 158 Ca -0.11 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.55 1iru s ALA 158 Cb 0.07 0.34 0.11 0.00 0.00 0.00 0.00 23.12 23.64 1iru s ALA 158 CO 0.81 -0.73 1.22 1.41 0.00 0.00 0.00 175.76 178.46 1iru s MET 159 N -2.97 0.55 -0.28 0.00 1.75 0.32 -4.95 119.30 113.71 1iru s MET 159 Ca 0.07 -0.30 -0.20 0.00 -1.25 0.00 0.00 55.69 54.01 1iru s MET 159 Cb -0.01 0.19 0.11 0.00 2.84 0.00 0.00 34.83 37.96 1iru s MET 159 CO -0.06 -0.25 0.86 0.45 -0.65 0.00 0.00 175.02 175.36 1iru s SER 160 N -2.95 -0.67 0.34 1.11 0.15 -1.26 0.89 113.70 111.31 1iru s SER 160 Ca 0.14 1.16 0.06 0.00 0.70 0.00 0.00 55.95 58.00 1iru s SER 160 Cb 0.03 1.23 -0.07 0.00 -1.71 0.00 0.00 66.02 65.51 1iru s SER 160 CO -0.03 -0.19 -0.00 0.27 1.20 0.00 0.00 173.24 174.49 1iru s ILE 161 N 0.97 1.68 0.00 6.45 -4.36 -0.90 -4.81 121.20 120.22 1iru s ILE 161 Ca -0.05 -2.05 0.00 0.00 -0.26 0.00 0.00 60.65 58.29 1iru s ILE 161 Cb -0.05 -2.76 0.00 0.00 1.25 0.00 0.00 42.46 40.91 1iru s ILE 161 CO -0.11 -0.10 0.00 0.61 0.24 0.00 0.00 174.94 175.58 1iru n GLY 162 N -0.76 -0.47 3.70 6.27 0.00 -1.26 -1.19 105.19 111.49 1iru n GLY 162 Ca -0.04 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.34 1iru n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iru s ALA 163 N -2.00 3.48 -1.77 4.61 0.00 -0.16 -2.92 121.76 123.01 1iru s ALA 163 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1iru s ALA 163 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1iru s ALA 163 CO 0.00 -0.67 0.00 0.54 0.00 0.00 0.00 175.76 175.63 1iru n ARG 164 N 4.69 -1.51 0.01 0.00 1.74 -1.26 -4.12 116.66 116.21 1iru n ARG 164 Ca 0.11 1.01 0.10 0.00 -0.77 0.00 0.00 57.85 58.29 1iru n ARG 164 Cb 0.45 -5.52 0.44 0.00 -1.02 0.00 0.00 32.46 26.81 1iru n ARG 164 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1iru n SER 165 N -1.58 0.06 0.02 0.55 3.41 -1.15 -2.92 113.62 112.01 1iru n SER 165 Ca -0.22 0.51 0.03 0.00 -0.26 0.00 0.00 58.87 58.92 1iru n SER 165 Cb 0.67 -0.53 0.38 0.00 -0.26 0.00 0.00 64.21 64.47 1iru n SER 165 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1iru h GLN 166 N 0.00 0.49 0.03 4.33 5.75 -1.88 -0.16 115.11 123.67 1iru h GLN 166 Ca 0.00 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1iru h GLN 166 Cb 0.37 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.82 1iru h GLN 166 CO 0.00 0.42 -0.01 0.77 -2.65 0.00 0.00 178.83 177.35 1iru h SER 167 N 0.49 -0.03 -0.54 -0.69 0.02 -1.85 -2.17 113.55 108.78 1iru h SER 167 Ca 0.12 -0.40 0.05 0.00 -0.84 0.00 0.00 61.79 60.72 1iru h SER 167 Cb 0.11 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.61 1iru h SER 167 CO -0.01 0.39 0.27 0.00 -1.14 0.00 0.00 176.83 176.34 1iru h ALA 168 N 0.49 0.70 -0.22 3.77 0.00 -1.59 -0.16 119.26 122.25 1iru h ALA 168 Ca -0.00 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1iru h ALA 168 Cb 0.43 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1iru h ALA 168 CO 0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 179.25 179.11 1iru h ARG 169 N 0.52 -0.01 -0.47 0.00 3.08 -1.01 -0.08 114.38 116.41 1iru h ARG 169 Ca 0.24 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.36 1iru h ARG 169 Cb 0.17 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 1iru h ARG 169 CO -0.18 -0.01 0.12 1.15 -1.07 0.00 0.00 179.97 179.99 1iru h THR 170 N -0.01 0.79 -0.89 2.04 2.02 -0.63 0.15 112.91 116.38 1iru h THR 170 Ca 0.11 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 1iru h THR 170 Cb 0.18 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1iru h THR 170 CO -0.24 0.05 0.48 0.22 0.37 0.00 0.00 175.52 176.40 1iru h TYR 171 N 0.27 1.23 -0.48 3.16 3.20 -0.38 -2.65 116.97 121.33 1iru h TYR 171 Ca 0.23 -0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.93 1iru h TYR 171 Cb 0.27 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1iru h TYR 171 CO -0.19 0.86 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.90 1iru h LEU 172 N 1.25 1.00 -2.14 2.82 3.38 -0.15 -2.63 115.31 118.85 1iru h LEU 172 Ca 0.31 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1iru h LEU 172 Cb 0.04 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1iru h LEU 172 CO -0.05 1.17 -0.07 -0.08 0.09 0.00 0.00 178.44 179.50 1iru h GLU 173 N 0.84 0.00 0.07 1.13 4.81 -0.46 -1.95 114.58 119.02 1iru h GLU 173 Ca 0.11 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.08 1iru h GLU 173 Cb 0.79 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1iru h GLU 173 CO 0.07 0.07 -1.31 0.00 -0.73 0.00 0.00 179.01 177.10 1iru h ARG 174 N 0.00 0.14 -0.28 1.92 3.08 -1.14 -3.36 114.38 114.74 1iru h ARG 174 Ca -0.00 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 1iru h ARG 174 Cb 0.24 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1iru h ARG 174 CO 0.01 1.02 0.00 0.72 -1.07 0.00 0.00 179.97 180.65 1iru n HIS 175 N -3.38 1.00 0.17 3.04 8.25 -0.98 -4.74 115.22 118.57 1iru n HIS 175 Ca -0.09 -0.97 -0.16 0.00 -0.26 0.00 0.00 57.72 56.24 1iru n HIS 175 Cb 1.01 -0.34 -0.09 0.00 1.12 0.00 0.00 29.99 31.68 1iru n HIS 175 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1iru h MET 176 N 1.72 -0.75 -0.95 -0.41 2.86 -1.53 -1.81 114.93 114.06 1iru h MET 176 Ca 0.03 0.05 0.28 0.00 -2.06 0.00 0.00 59.70 58.00 1iru h MET 176 Cb 1.49 0.17 -0.04 0.00 0.06 0.00 0.00 31.60 33.29 1iru h MET 176 CO 0.26 -0.50 0.93 0.66 1.06 0.00 0.00 176.91 179.32 1iru h SER 177 N -0.78 0.00 0.03 1.22 4.64 -1.89 0.98 113.55 117.74 1iru h SER 177 Ca -0.01 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.10 1iru h SER 177 Cb 0.76 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.86 1iru h SER 177 CO -0.20 0.00 -0.82 -0.33 -0.87 0.00 0.00 176.83 174.61 1iru h GLU 178 N 0.00 0.50 -0.23 4.77 5.08 -1.69 -3.40 114.58 119.62 1iru h GLU 178 Ca 0.45 -0.58 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1iru h GLU 178 Cb 2.31 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 31.71 1iru h GLU 178 CO -0.00 1.21 -0.13 1.19 -1.00 0.00 0.00 179.01 180.27 1iru n PHE 179 N -4.06 -0.10 -0.55 4.33 0.99 0.34 -2.67 117.46 115.74 1iru n PHE 179 Ca -0.11 0.28 0.44 0.00 -0.00 0.00 0.00 57.45 58.06 1iru n PHE 179 Cb 0.78 -0.52 0.71 0.00 -1.00 0.00 0.00 39.48 39.46 1iru n PHE 179 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1iru n MET 180 N -3.50 -0.02 -0.07 -1.08 2.81 -1.26 0.20 117.12 114.20 1iru n MET 180 Ca 0.00 1.15 0.10 0.00 -1.81 0.00 0.00 57.70 57.14 1iru n MET 180 Cb 0.06 -2.41 0.12 0.00 -0.71 0.00 0.00 33.22 30.28 1iru n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1iru n GLU 181 N -4.33 1.90 -1.76 0.03 -0.58 -1.09 -2.59 120.64 112.22 1iru n GLU 181 Ca 0.41 -1.82 -0.34 0.00 -0.42 0.00 0.00 57.16 54.99 1iru n GLU 181 Cb 1.70 -1.39 0.05 0.00 -0.57 0.00 0.00 31.44 31.24 1iru n GLU 181 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iru s ASN 183 N -2.13 6.34 0.00 0.00 4.22 -1.26 -4.82 114.94 117.29 1iru s ASN 183 Ca 0.72 0.34 0.00 0.00 -2.14 0.00 0.00 52.86 51.78 1iru s ASN 183 Cb -0.25 -1.98 0.00 0.00 1.28 0.00 0.00 41.25 40.29 1iru s ASN 183 CO 0.39 -0.12 0.42 -0.11 -2.04 0.00 0.00 177.10 175.65 1iru n LEU 184 N -1.15 0.00 -0.43 3.54 7.94 -1.26 -1.18 117.00 124.45 1iru n LEU 184 Ca -0.06 0.42 0.37 0.00 -1.11 0.00 0.00 56.01 55.64 1iru n LEU 184 Cb 0.55 -0.15 0.70 0.00 0.53 0.00 0.00 43.42 45.05 1iru n LEU 184 CO 0.48 -0.15 1.32 0.78 -1.11 0.00 0.00 177.39 178.71 1iru h ASN 185 N 0.00 0.14 -0.03 1.96 4.21 -1.99 0.51 115.58 120.38 1iru h ASN 185 Ca 0.00 0.05 -0.22 0.00 1.21 0.00 0.00 56.30 57.33 1iru h ASN 185 Cb 0.00 0.03 0.02 0.00 -1.12 0.00 0.00 38.32 37.25 1iru h ASN 185 CO 0.00 -0.03 -0.85 -0.33 -1.29 0.00 0.00 177.43 174.93 1iru h GLU 186 N 0.09 0.63 -0.26 0.81 5.08 -1.53 -2.12 114.58 117.28 1iru h GLU 186 Ca 0.71 -0.64 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1iru h GLU 186 Cb 2.52 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 31.93 1iru h GLU 186 CO -0.16 1.24 0.16 1.25 -1.00 0.00 0.00 179.01 180.50 1iru h LEU 187 N 0.26 0.30 -0.72 1.33 5.85 0.72 -1.28 115.31 121.78 1iru h LEU 187 Ca -0.10 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.59 1iru h LEU 187 Cb 1.52 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.43 1iru h LEU 187 CO 0.17 0.25 0.47 0.58 -0.34 0.00 0.00 178.44 179.58 1iru h VAL 188 N 0.33 1.17 -0.09 1.05 2.07 -0.91 -2.09 116.25 117.78 1iru h VAL 188 Ca 0.09 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1iru h VAL 188 Cb 0.00 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1iru h VAL 188 CO -0.02 0.18 -0.00 0.11 0.02 0.00 0.00 177.57 177.86 1iru h LYS 189 N 0.96 0.03 -1.00 1.57 1.57 -0.95 0.26 116.57 119.01 1iru h LYS 189 Ca 0.27 -0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.22 1iru h LYS 189 Cb -0.09 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.12 1iru h LYS 189 CO -0.07 0.02 0.62 0.45 -0.57 0.00 0.00 179.45 179.90 1iru h HIS 190 N 0.03 1.08 0.54 -1.35 3.86 -0.92 0.75 115.15 119.13 1iru h HIS 190 Ca 0.04 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1iru h HIS 190 Cb 0.05 -0.33 0.01 0.00 1.06 0.00 0.00 27.41 28.20 1iru h HIS 190 CO -0.13 0.29 -0.26 0.78 0.86 0.00 0.00 177.93 179.48 1iru h GLY 191 N 0.82 -0.75 0.49 2.45 0.00 -0.48 -0.66 103.07 104.93 1iru h GLY 191 Ca 0.55 0.28 0.13 0.00 0.00 0.00 0.00 47.33 48.29 1iru h GLY 191 CO -0.34 -0.27 0.62 1.41 0.00 0.00 0.00 176.54 177.95 1iru h LEU 192 N -0.96 0.86 -0.39 3.11 3.38 0.41 -1.15 115.31 120.58 1iru h LEU 192 Ca -0.07 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1iru h LEU 192 Cb 0.63 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1iru h LEU 192 CO 0.12 0.45 0.17 -0.09 0.09 0.00 0.00 178.44 179.18 1iru h ARG 193 N 0.92 0.57 -0.71 1.13 2.43 0.59 -2.15 114.38 117.16 1iru h ARG 193 Ca 0.48 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.50 1iru h ARG 193 Cb 0.54 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1iru h ARG 193 CO -0.25 0.53 0.22 0.00 -1.51 0.00 0.00 179.97 178.96 1iru h ALA 194 N 1.01 0.93 -0.20 2.80 0.00 -0.11 -2.87 119.26 120.82 1iru h ALA 194 Ca 0.13 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1iru h ALA 194 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1iru h ALA 194 CO -0.01 0.60 0.12 1.25 0.00 0.00 0.00 179.25 181.21 1iru h LEU 195 N 1.04 0.19 -1.99 0.00 5.85 -1.10 -1.86 115.31 117.45 1iru h LEU 195 Ca 0.23 0.00 0.19 0.00 0.84 0.00 0.00 57.88 59.14 1iru h LEU 195 Cb 0.30 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1iru h LEU 195 CO -0.01 0.14 0.52 -0.09 -0.34 0.00 0.00 178.44 178.67 1iru h ARG 196 N 0.24 0.00 -0.13 1.25 2.43 -1.17 0.36 114.38 117.35 1iru h ARG 196 Ca 0.08 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1iru h ARG 196 Cb -0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1iru h ARG 196 CO -0.03 0.00 0.08 0.93 -1.51 0.00 0.00 179.97 179.43 1iru h GLU 197 N 0.00 0.17 -0.12 0.20 4.39 -1.18 -2.44 114.58 115.59 1iru h GLU 197 Ca 0.32 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1iru h GLU 197 Cb 1.36 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1iru h GLU 197 CO -0.00 0.12 0.00 0.25 -1.16 0.00 0.00 179.01 178.22 1iru n THR 198 N -4.51 0.16 -4.13 1.13 -2.24 0.11 -4.76 114.28 100.04 1iru n THR 198 Ca -0.01 -0.16 -0.22 0.00 -2.27 0.00 0.00 64.05 61.38 1iru n THR 198 Cb 0.09 0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.34 1iru n THR 198 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1iru s LEU 199 N -1.08 3.75 0.00 3.22 1.43 -0.92 -4.80 118.68 120.27 1iru s LEU 199 Ca 0.11 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 52.63 1iru s LEU 199 Cb 0.06 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 1iru s LEU 199 CO 0.08 -0.03 1.36 -2.84 0.23 0.00 0.00 176.35 175.16 1iru s PRO 200 N -3.77 4.30 0.38 1.29 0.02 -1.26 -4.88 135.00 131.08 1iru s PRO 200 Ca 0.33 1.92 0.30 0.00 0.02 0.00 0.00 61.00 63.56 1iru s PRO 200 Cb -0.08 -3.53 1.25 0.00 0.02 0.00 0.00 34.50 32.16 1iru s PRO 200 CO 0.24 -0.53 1.25 0.00 -0.33 0.00 0.00 177.00 177.64 1iru n ALA 201 N 5.16 1.21 -0.04 -1.55 0.00 -1.26 -1.30 120.51 122.72 1iru n ALA 201 Ca 0.12 0.66 -0.05 0.00 0.00 0.00 0.00 53.44 54.17 1iru n ALA 201 Cb 0.44 -0.87 0.02 0.00 0.00 0.00 0.00 19.45 19.04 1iru n ALA 201 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1iru n GLU 202 N -4.11 1.24 -3.64 0.00 -0.00 -1.26 -4.81 120.64 108.05 1iru n GLU 202 Ca 0.33 -0.51 -0.02 0.00 -0.00 0.00 0.00 57.16 56.97 1iru n GLU 202 Cb 1.35 -1.20 -0.03 0.00 -0.00 0.00 0.00 31.44 31.56 1iru n GLU 202 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 1iru s GLN 203 N -0.57 0.05 0.00 3.44 -2.07 -0.42 -5.20 119.66 114.89 1iru s GLN 203 Ca 0.10 0.00 0.00 0.00 -1.82 0.00 0.00 55.36 53.64 1iru s GLN 203 Cb 0.08 0.03 0.00 0.00 -1.09 0.00 0.00 33.01 32.02 1iru s GLN 203 CO 0.01 -0.02 0.00 -0.40 -1.32 0.00 0.00 175.29 173.56 1iru n ASP 204 N 0.36 0.00 -4.68 12.60 5.75 -1.26 -4.54 116.55 124.77 1iru n ASP 204 Ca 0.01 -0.38 -0.42 0.00 -0.01 0.00 0.00 54.79 53.99 1iru n ASP 204 Cb 0.58 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.64 1iru n ASP 204 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1iru n LEU 205 N 0.00 4.08 -4.59 -2.12 4.77 -1.26 -5.02 117.00 112.85 1iru n LEU 205 Ca 0.00 0.96 -0.26 0.00 -0.03 0.00 0.00 56.01 56.69 1iru n LEU 205 Cb 0.00 -1.54 -0.09 0.00 -2.33 0.00 0.00 43.42 39.46 1iru n LEU 205 CO 0.00 0.19 -0.38 -0.89 -1.33 0.00 0.00 177.39 174.97 1iru s THR 206 N 3.21 3.28 -1.74 -5.08 2.01 -1.26 -4.99 115.64 111.08 1iru s THR 206 Ca 0.84 -1.74 0.22 0.00 0.31 0.00 0.00 61.69 61.32 1iru s THR 206 Cb -0.47 -2.67 0.51 0.00 0.01 0.00 0.00 72.50 69.88 1iru s THR 206 CO 0.39 -0.20 1.69 0.35 -0.69 0.00 0.00 174.62 176.16 1iru n THR 207 N -0.26 0.16 -0.04 -0.82 -2.24 -1.26 -2.44 114.28 107.38 1iru n THR 207 Ca -0.09 0.04 -0.02 0.00 -2.27 0.00 0.00 64.05 61.71 1iru n THR 207 Cb 0.57 -0.69 -0.14 0.00 -2.10 0.00 0.00 70.33 67.96 1iru n THR 207 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1iru n LYS 208 N -1.13 0.66 -0.12 -0.78 4.01 -1.26 -4.32 118.16 115.22 1iru n LYS 208 Ca 0.14 0.02 0.05 0.00 -0.51 0.00 0.00 58.31 58.01 1iru n LYS 208 Cb 0.12 -1.61 0.11 0.00 -0.51 0.00 0.00 35.03 33.14 1iru n LYS 208 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1iru n ASN 209 N -2.68 2.59 -4.55 4.39 2.04 -1.02 -4.83 115.26 111.20 1iru n ASN 209 Ca -0.18 -1.87 -0.32 0.00 -0.44 0.00 0.00 54.58 51.76 1iru n ASN 209 Cb 0.92 -0.16 -0.11 0.00 -2.53 0.00 0.00 39.78 37.89 1iru n ASN 209 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1iru s VAL 210 N -0.96 3.43 -0.01 3.53 1.01 -1.03 -0.42 120.40 125.96 1iru s VAL 210 Ca 0.18 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1iru s VAL 210 Cb 0.10 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1iru s VAL 210 CO 0.14 0.47 -0.03 -0.55 0.00 0.00 0.00 175.10 175.13 1iru s SER 211 N -1.14 0.46 -0.01 3.32 0.15 -0.58 -4.70 113.70 111.19 1iru s SER 211 Ca 0.15 -0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.77 1iru s SER 211 Cb -0.11 -0.08 -0.01 0.00 -1.71 0.00 0.00 66.02 64.11 1iru s SER 211 CO 0.04 0.03 -0.14 -0.63 1.20 0.00 0.00 173.24 173.74 1iru s ILE 212 N 0.05 1.14 -0.09 6.45 1.01 -0.93 -0.80 121.20 128.02 1iru s ILE 212 Ca -0.00 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1iru s ILE 212 Cb -0.03 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.50 1iru s ILE 212 CO -0.00 0.32 -0.15 -0.83 0.00 0.00 0.00 174.94 174.28 1iru s GLY 213 N -0.31 0.96 -0.03 6.18 0.00 0.21 -1.23 107.32 113.10 1iru s GLY 213 Ca 0.05 -0.62 0.02 0.00 0.00 0.00 0.00 44.72 44.18 1iru s GLY 213 CO -0.00 0.16 -0.09 -0.42 0.00 0.00 0.00 173.10 172.74 1iru s ILE 214 N 0.83 0.81 -0.01 0.90 1.01 -0.43 0.18 121.20 124.48 1iru s ILE 214 Ca -0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 1iru s ILE 214 Cb -0.15 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.59 1iru s ILE 214 CO 0.01 0.26 0.05 0.54 0.00 0.00 0.00 174.94 175.80 1iru s VAL 215 N 0.26 0.03 -0.16 2.92 0.11 -0.90 -0.52 120.40 122.13 1iru s VAL 215 Ca -0.04 -0.22 -0.35 0.00 -2.93 0.00 0.00 61.98 58.44 1iru s VAL 215 Cb -0.09 -0.14 0.14 0.00 -1.53 0.00 0.00 36.38 34.75 1iru s VAL 215 CO 0.01 -0.12 1.30 -0.83 -3.33 0.00 0.00 175.10 172.12 1iru s GLY 216 N -0.35 -0.32 0.43 6.54 0.00 0.35 -0.37 107.32 113.59 1iru s GLY 216 Ca -0.04 1.39 0.35 0.00 0.00 0.00 0.00 44.72 46.42 1iru s GLY 216 CO 0.00 0.42 1.38 0.28 0.00 0.00 0.00 173.10 175.18 1iru n LYS 217 N -0.21 -0.02 0.00 2.90 4.01 -0.66 0.12 118.16 124.31 1iru n LYS 217 Ca -0.02 1.05 0.11 0.00 -0.51 0.00 0.00 58.31 58.94 1iru n LYS 217 Cb 0.59 -2.19 -0.04 0.00 -0.51 0.00 0.00 35.03 32.89 1iru n LYS 217 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1iru n ASP 218 N -4.16 1.07 -3.77 4.39 5.75 -1.26 -4.98 116.55 113.59 1iru n ASP 218 Ca 0.37 -0.96 -0.13 0.00 -0.01 0.00 0.00 54.79 54.06 1iru n ASP 218 Cb 1.54 0.79 -0.11 0.00 -1.03 0.00 0.00 41.12 42.31 1iru n ASP 218 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1iru s LEU 219 N -2.91 0.83 0.44 -2.12 2.96 0.33 -5.15 118.68 113.07 1iru s LEU 219 Ca 0.10 0.58 -0.22 0.00 -0.22 0.00 0.00 54.13 54.37 1iru s LEU 219 Cb 0.17 0.97 -0.08 0.00 0.50 0.00 0.00 46.19 47.74 1iru s LEU 219 CO 0.79 -0.11 1.08 -1.61 -1.32 0.00 0.00 176.35 175.18 1iru s GLU 220 N 0.29 3.93 -0.25 1.98 2.02 -1.26 -0.50 118.70 124.91 1iru s GLU 220 Ca -0.01 1.53 -0.42 0.00 0.02 0.00 0.00 54.97 56.09 1iru s GLU 220 Cb -0.03 -2.36 -0.18 0.00 0.10 0.00 0.00 34.13 31.66 1iru s GLU 220 CO -0.01 -0.35 1.54 0.34 0.02 0.00 0.00 175.26 176.80 1iru n PHE 221 N -0.48 1.68 -4.18 1.61 7.35 -0.21 -4.69 117.46 118.55 1iru n PHE 221 Ca 0.07 0.82 -0.16 0.00 -0.76 0.00 0.00 57.45 57.42 1iru n PHE 221 Cb 0.50 -2.31 -0.13 0.00 0.35 0.00 0.00 39.48 37.89 1iru n PHE 221 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1iru s THR 222 N 2.39 0.74 0.03 -2.13 2.01 0.32 -4.97 115.64 114.04 1iru s THR 222 Ca 0.97 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 62.11 1iru s THR 222 Cb -1.22 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 1iru s THR 222 CO 0.67 -0.15 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.70 1iru s ILE 223 N -0.96 3.31 -0.08 1.82 1.01 -1.26 -1.32 121.20 123.71 1iru s ILE 223 Ca -0.03 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.66 1iru s ILE 223 Cb -0.08 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.97 1iru s ILE 223 CO 0.01 0.34 -0.12 -0.31 0.00 0.00 0.00 174.94 174.86 1iru s TYR 224 N -0.99 1.56 0.00 3.97 1.51 -0.36 -5.01 117.35 118.02 1iru s TYR 224 Ca 0.17 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.59 1iru s TYR 224 Cb -0.11 -1.16 0.00 0.00 -0.11 0.00 0.00 41.96 40.58 1iru s TYR 224 CO 0.07 -0.35 0.00 -0.25 -1.11 0.00 0.00 175.55 173.91 1iru n ASP 225 N 4.07 3.44 0.00 2.29 8.00 -1.26 -2.20 116.55 130.89 1iru n ASP 225 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1iru n ASP 225 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1iru n ASP 225 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1iru n ASP 226 N -2.45 0.00 -0.01 -2.24 8.00 -1.26 -4.67 116.55 113.91 1iru n ASP 226 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 1iru n ASP 226 Cb 0.46 0.00 0.42 0.00 -0.02 0.00 0.00 41.12 41.98 1iru n ASP 226 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1iru h ASP 227 N 0.00 0.48 0.00 -2.24 3.32 -1.99 -0.19 116.42 115.80 1iru h ASP 227 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1iru h ASP 227 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1iru h ASP 227 CO 0.00 0.35 0.12 0.44 -1.72 0.00 0.00 179.24 178.43 1iru h ASP 228 N 0.57 0.00 1.18 6.45 3.32 -1.95 -0.35 116.42 125.64 1iru h ASP 228 Ca 0.16 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1iru h ASP 228 Cb -0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1iru h ASP 228 CO -0.04 0.00 -0.83 0.58 -1.72 0.00 0.00 179.24 177.23 1iru h VAL 229 N 0.00 0.13 -0.20 -1.35 2.07 -1.29 -3.39 116.25 112.22 1iru h VAL 229 Ca 0.00 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.32 1iru h VAL 229 Cb 0.24 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 1iru h VAL 229 CO 0.00 0.07 -0.50 0.28 0.02 0.00 0.00 177.57 177.45 1iru h SER 230 N 0.00 -1.60 -1.81 0.57 0.02 -1.13 -1.32 113.55 108.29 1iru h SER 230 Ca -0.03 0.20 0.52 0.00 -0.84 0.00 0.00 61.79 61.64 1iru h SER 230 Cb 1.11 0.63 -0.07 0.00 0.14 0.00 0.00 62.40 64.21 1iru h SER 230 CO 0.01 -0.41 1.38 -2.65 -1.14 0.00 0.00 176.83 174.01 1iru n PRO 231 N -5.13 0.00 -0.01 3.45 -0.02 -1.26 0.73 135.00 132.75 1iru n PRO 231 Ca -0.05 1.06 -0.15 0.00 -2.02 0.00 0.00 63.50 62.33 1iru n PRO 231 Cb 0.33 -2.47 -0.14 0.00 -0.02 0.00 0.00 33.50 31.20 1iru n PRO 231 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1iru n PHE 232 N -3.78 1.08 0.20 6.00 3.01 -0.55 -4.11 117.46 119.31 1iru n PHE 232 Ca 0.41 0.29 0.06 0.00 1.01 0.00 0.00 57.45 59.22 1iru n PHE 232 Cb 1.92 -1.16 0.43 0.00 -0.01 0.00 0.00 39.48 40.66 1iru n PHE 232 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1iru h LEU 233 N 0.04 0.00 -9.76 4.37 3.38 0.86 -3.44 115.31 110.75 1iru h LEU 233 Ca -0.37 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.07 1iru h LEU 233 Cb 2.03 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.82 1iru h LEU 233 CO 0.08 0.32 0.64 -1.61 0.09 0.00 0.00 178.44 177.96 1iru s GLU 234 N -3.93 4.39 0.00 1.13 2.02 -0.41 -2.95 118.70 118.94 1iru s GLU 234 Ca -0.02 2.11 0.00 0.00 0.02 0.00 0.00 54.97 57.09 1iru s GLU 234 Cb 0.13 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.21 1iru s GLU 234 CO 0.68 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 176.16 1iru n GLY 235 N 1.75 0.72 0.00 -1.39 0.00 -1.26 -5.00 105.19 100.02 1iru n GLY 235 Ca 0.04 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1iru n GLY 235 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iru n LEU 236 N -0.03 0.00 -3.59 0.99 4.77 -1.15 -5.08 117.00 112.90 1iru n LEU 236 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1iru n LEU 236 Cb 0.40 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 1iru n LEU 236 CO 0.00 0.00 0.85 -1.83 -1.33 0.00 0.00 177.39 175.08 1iru s GLU 237 N 0.00 0.49 0.33 3.23 4.04 -1.26 -5.05 118.70 120.49 1iru s GLU 237 Ca 0.00 0.12 0.11 0.00 0.04 0.00 0.00 54.97 55.24 1iru s GLU 237 Cb 0.00 0.23 1.01 0.00 0.02 0.00 0.00 34.13 35.40 1iru s GLU 237 CO 0.00 -0.15 1.60 0.93 -1.84 0.00 0.00 175.26 175.80 1iru h GLU 238 N 2.46 0.09 -2.65 -4.83 3.07 -2.04 -3.46 114.58 107.21 1iru h GLU 238 Ca -0.16 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1iru h GLU 238 Cb 1.17 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1iru h GLU 238 CO 0.29 0.06 0.00 -2.13 -1.40 0.00 0.00 179.01 175.83 1iru n ARG 239 N -5.29 0.00 -1.11 2.33 3.00 -1.26 -4.89 116.66 109.44 1iru n ARG 239 Ca 0.30 0.44 -0.52 0.00 -0.00 0.00 0.00 57.85 58.06 1iru n ARG 239 Cb 0.97 -0.88 -0.11 0.00 0.00 0.00 0.00 32.46 32.44 1iru n ARG 239 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1iru n PRO 240 N 0.03 0.00 0.00 -0.14 -0.02 -1.26 -5.22 135.00 128.39 1iru n PRO 240 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.62 1iru n PRO 240 Cb 0.00 -1.32 0.56 0.00 -0.02 0.00 0.00 33.50 32.72 1iru n PRO 240 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52