#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwa n ARG 7 N 0.00 1.61 -0.45 -0.78 3.00 -1.26 -5.07 116.66 113.72 1iwa n ARG 7 Ca 0.00 -3.19 -0.25 0.00 -0.00 0.00 0.00 57.85 54.41 1iwa n ARG 7 Cb 0.00 -1.64 0.21 0.00 0.00 0.00 0.00 32.46 31.03 1iwa n ARG 7 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1iwa n ILE 8 N -1.15 0.00 -3.87 5.15 5.41 -1.26 -5.03 119.36 118.61 1iwa n ILE 8 Ca 0.21 -0.11 -0.22 0.00 1.00 0.00 0.00 62.75 63.63 1iwa n ILE 8 Cb 0.74 -0.71 -0.04 0.00 -0.71 0.00 0.00 39.64 38.91 1iwa n ILE 8 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1iwa s LYS 9 N -4.05 2.62 -0.35 0.38 2.47 -1.26 -5.11 119.74 114.44 1iwa s LYS 9 Ca 0.52 -1.38 0.06 0.00 -1.56 0.00 0.00 55.97 53.60 1iwa s LYS 9 Cb -0.11 -2.39 0.18 0.00 -1.46 0.00 0.00 37.83 34.06 1iwa s LYS 9 CO 0.48 0.08 0.55 1.21 0.16 0.00 0.00 175.35 177.83 1iwa s ASN 10 N -3.97 -0.88 0.00 1.43 3.84 -1.26 -4.74 114.94 109.37 1iwa s ASN 10 Ca 0.41 -0.59 0.00 0.00 0.21 0.00 0.00 52.86 52.89 1iwa s ASN 10 Cb -0.05 1.65 0.00 0.00 -0.55 0.00 0.00 41.25 42.30 1iwa s ASN 10 CO 0.26 -0.24 0.00 -1.54 -2.79 0.00 0.00 177.10 172.78 1iwa n SER 11 N 4.80 0.00 -0.02 -4.21 3.41 -1.26 -4.97 113.62 111.37 1iwa n SER 11 Ca 0.08 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.76 1iwa n SER 11 Cb 0.53 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.35 1iwa n SER 11 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1iwa n ARG 12 N 0.00 0.63 -0.67 4.33 3.00 -1.26 -4.50 116.66 118.18 1iwa n ARG 12 Ca 0.00 -0.14 0.08 0.00 -0.00 0.00 0.00 57.85 57.79 1iwa n ARG 12 Cb 0.00 -1.41 0.34 0.00 0.00 0.00 0.00 32.46 31.39 1iwa n ARG 12 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1iwa n TYR 13 N -2.16 1.53 -2.94 -0.14 4.02 -1.26 -4.94 117.16 111.27 1iwa n TYR 13 Ca -0.06 -0.78 -0.40 0.00 -0.01 0.00 0.00 57.90 56.65 1iwa n TYR 13 Cb 0.52 -0.40 -0.05 0.00 -0.02 0.00 0.00 39.34 39.40 1iwa n TYR 13 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1iwa s GLU 14 N -2.69 4.50 0.08 -0.72 -1.05 -1.26 -4.10 118.70 113.46 1iwa s GLU 14 Ca 0.49 1.09 -0.16 0.00 -0.15 0.00 0.00 54.97 56.24 1iwa s GLU 14 Cb 0.37 -3.40 -0.09 0.00 -0.44 0.00 0.00 34.13 30.57 1iwa s GLU 14 CO 0.14 0.17 0.32 0.43 0.95 0.00 0.00 175.26 177.27 1iwa n SER 15 N 3.25 -0.50 0.00 0.83 7.64 -1.26 -4.90 113.62 118.68 1iwa n SER 15 Ca -0.01 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1iwa n SER 15 Cb 0.51 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1iwa n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iwa n GLY 16 N 0.96 4.38 3.76 0.23 0.00 -1.26 -5.03 105.19 108.23 1iwa n GLY 16 Ca 0.09 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 1iwa n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwa s VAL 17 N -2.00 5.40 0.06 1.61 1.01 -1.26 -2.33 120.40 122.89 1iwa s VAL 17 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1iwa s VAL 17 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1iwa s VAL 17 CO 0.00 0.47 -0.05 0.27 0.00 0.00 0.00 175.10 175.79 1iwa s ILE 18 N 0.06 0.38 0.66 2.22 -4.36 -1.26 -5.03 121.20 113.86 1iwa s ILE 18 Ca 0.11 -1.61 -0.18 0.00 -0.26 0.00 0.00 60.65 58.72 1iwa s ILE 18 Cb -0.12 -1.25 -0.01 0.00 1.25 0.00 0.00 42.46 42.33 1iwa s ILE 18 CO 0.01 -0.81 1.27 -0.81 0.24 0.00 0.00 174.94 174.84 1iwa n PRO 19 N 0.47 1.04 -0.24 0.37 -0.04 -1.26 -4.88 135.00 130.46 1iwa n PRO 19 Ca -0.16 0.41 -0.07 0.00 -0.04 0.00 0.00 63.50 63.64 1iwa n PRO 19 Cb 0.59 -2.51 0.04 0.00 -0.04 0.00 0.00 33.50 31.58 1iwa n PRO 19 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1iwa h TYR 20 N 0.43 1.03 0.00 0.54 0.05 -1.92 -1.90 116.97 115.20 1iwa h TYR 20 Ca -0.51 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.20 1iwa h TYR 20 Cb 1.34 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.77 1iwa h TYR 20 CO 0.41 0.80 0.08 0.00 -1.05 0.00 0.00 178.16 178.41 1iwa h ALA 21 N 1.12 1.07 0.00 3.88 0.00 -1.88 -0.33 119.26 123.12 1iwa h ALA 21 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1iwa h ALA 21 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1iwa h ALA 21 CO -0.02 -0.07 -1.58 1.63 0.00 0.00 0.00 179.25 179.21 1iwa n LYS 22 N -2.72 0.63 -0.00 0.00 4.01 -0.74 -4.24 118.16 115.09 1iwa n LYS 22 Ca -0.02 -0.07 0.10 0.00 -0.51 0.00 0.00 58.31 57.81 1iwa n LYS 22 Cb 0.13 -1.64 0.60 0.00 -0.51 0.00 0.00 35.03 33.61 1iwa n LYS 22 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1iwa n MET 22 N -2.41 1.04 -0.09 1.97 2.81 -0.14 -4.85 117.12 115.46 1iwa n MET 22 Ca -0.02 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1iwa n MET 22 Cb 0.56 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 1iwa n MET 22 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iwa n GLY 23 N 0.84 0.95 0.52 3.03 0.00 -1.24 -4.99 105.19 104.30 1iwa n GLY 23 Ca 0.16 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1iwa n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1iwa n TYR 24 N -2.09 0.00 -4.10 1.61 4.01 -1.23 -4.82 117.16 110.54 1iwa n TYR 24 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.41 1iwa n TYR 24 Cb 0.00 -0.01 -0.16 0.00 -0.31 0.00 0.00 39.34 38.87 1iwa n TYR 24 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1iwa s TRP 25 N -2.44 2.83 -0.32 -0.72 -0.11 -1.26 -1.64 118.94 115.27 1iwa s TRP 25 Ca 0.19 -1.76 0.01 0.00 1.22 0.00 0.00 56.10 55.77 1iwa s TRP 25 Cb 0.18 -1.89 0.15 0.00 -1.50 0.00 0.00 33.47 30.41 1iwa s TRP 25 CO 0.55 -0.81 0.36 1.21 -4.62 0.00 0.00 176.95 173.63 1iwa s ASN 26 N 1.27 1.12 0.00 5.86 3.84 -0.91 -4.98 114.94 121.14 1iwa s ASN 26 Ca 0.02 -0.92 0.15 0.00 0.21 0.00 0.00 52.86 52.32 1iwa s ASN 26 Cb -0.15 0.71 0.72 0.00 -0.55 0.00 0.00 41.25 41.98 1iwa s ASN 26 CO -0.11 -0.34 1.46 -0.81 -2.79 0.00 0.00 177.10 174.51 1iwa n PRO 27 N 4.97 0.12 0.00 0.43 -0.04 -1.26 -2.22 135.00 137.00 1iwa n PRO 27 Ca 0.03 0.19 0.10 0.00 -0.04 0.00 0.00 63.50 63.77 1iwa n PRO 27 Cb 0.47 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 1iwa n PRO 27 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1iwa n ASP 28 N -1.39 1.47 -4.60 3.54 10.43 -1.26 -4.94 116.55 119.80 1iwa n ASP 28 Ca 0.06 -1.23 -0.46 0.00 2.57 0.00 0.00 54.79 55.72 1iwa n ASP 28 Cb 0.15 0.70 -0.02 0.00 1.84 0.00 0.00 41.12 43.78 1iwa n ASP 28 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1iwa n TYR 29 N -0.64 1.47 -3.64 1.24 9.36 -0.94 -4.95 117.16 119.07 1iwa n TYR 29 Ca 0.06 0.65 -0.39 0.00 3.32 0.00 0.00 57.90 61.54 1iwa n TYR 29 Cb 0.37 -2.30 -0.11 0.00 -0.63 0.00 0.00 39.34 36.66 1iwa n TYR 29 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1iwa s GLN 30 N -1.01 3.20 0.24 2.98 -1.52 -1.26 -5.03 119.66 117.26 1iwa s GLN 30 Ca 0.65 -0.81 -0.31 0.00 -1.95 0.00 0.00 55.36 52.94 1iwa s GLN 30 Cb -0.73 -3.61 -0.11 0.00 -0.22 0.00 0.00 33.01 28.33 1iwa s GLN 30 CO 0.56 -0.49 1.56 0.08 -0.25 0.00 0.00 175.29 176.75 1iwa s VAL 31 N 1.60 2.36 -0.00 1.09 1.01 -1.26 -5.01 120.40 120.19 1iwa s VAL 31 Ca 0.04 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 1iwa s VAL 31 Cb -0.18 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1iwa s VAL 31 CO 0.06 0.04 0.18 -0.54 0.00 0.00 0.00 175.10 174.84 1iwa s LYS 32 N 0.15 3.42 0.46 2.72 1.02 -1.26 -4.98 119.74 121.27 1iwa s LYS 32 Ca 0.65 -0.34 0.31 0.00 0.02 0.00 0.00 55.97 56.61 1iwa s LYS 32 Cb -0.45 -3.08 1.65 0.00 -0.52 0.00 0.00 37.83 35.43 1iwa s LYS 32 CO 0.40 0.67 1.95 -0.44 -0.92 0.00 0.00 175.35 177.02 1iwa h ASP 33 N 3.77 0.00 0.21 2.83 3.45 -2.03 0.63 116.42 125.28 1iwa h ASP 33 Ca -0.49 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.97 1iwa h ASP 33 Cb 1.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 1iwa h ASP 33 CO 0.69 0.00 -0.34 0.35 -1.57 0.00 0.00 179.24 178.37 1iwa n THR 34 N -2.62 0.00 -2.20 0.35 -2.24 -1.26 -4.45 114.28 101.87 1iwa n THR 34 Ca -0.02 -0.13 -0.34 0.00 -2.27 0.00 0.00 64.05 61.29 1iwa n THR 34 Cb 0.08 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1iwa n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1iwa s ASP 35 N -2.56 5.84 -0.22 3.42 1.01 0.21 -3.86 116.67 120.51 1iwa s ASP 35 Ca 0.22 1.96 -0.10 0.00 0.71 0.00 0.00 52.55 55.33 1iwa s ASP 35 Cb 0.19 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 1iwa s ASP 35 CO 0.56 -1.13 0.13 -0.69 0.21 0.00 0.00 175.17 174.25 1iwa s VAL 36 N -2.14 5.20 0.08 -1.27 1.01 -0.39 -3.99 120.40 118.90 1iwa s VAL 36 Ca 0.67 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.83 1iwa s VAL 36 Cb -0.18 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1iwa s VAL 36 CO 0.30 0.39 -0.05 -0.76 0.00 0.00 0.00 175.10 174.98 1iwa s LEU 37 N 0.80 3.26 0.01 3.92 1.43 -0.45 -0.26 118.68 127.39 1iwa s LEU 37 Ca 0.07 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1iwa s LEU 37 Cb -0.13 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1iwa s LEU 37 CO 0.02 0.19 -0.06 0.00 0.23 0.00 0.00 176.35 176.74 1iwa s ALA 38 N -1.23 0.44 -0.22 4.21 0.00 -0.08 -0.49 121.76 124.40 1iwa s ALA 38 Ca 0.23 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.77 1iwa s ALA 38 Cb -0.11 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.02 1iwa s ALA 38 CO 0.15 0.04 -0.11 -1.17 0.00 0.00 0.00 175.76 174.67 1iwa s LEU 39 N -0.72 2.57 0.04 0.00 0.20 0.19 -1.02 118.68 119.93 1iwa s LEU 39 Ca -0.04 -1.02 0.02 0.00 0.69 0.00 0.00 54.13 53.78 1iwa s LEU 39 Cb -0.05 -1.32 -0.04 0.00 -0.43 0.00 0.00 46.19 44.35 1iwa s LEU 39 CO -0.00 -0.16 0.06 -0.36 -0.29 0.00 0.00 176.35 175.61 1iwa s PHE 40 N 1.32 3.19 -0.37 5.38 0.08 -0.46 -0.56 117.98 126.57 1iwa s PHE 40 Ca -0.03 0.12 -0.12 0.00 0.12 0.00 0.00 56.93 57.02 1iwa s PHE 40 Cb -0.17 -1.67 0.02 0.00 -0.57 0.00 0.00 43.02 40.63 1iwa s PHE 40 CO -0.08 0.52 0.22 0.50 -0.10 0.00 0.00 175.22 176.28 1iwa s ARG 41 N -2.01 2.98 -0.12 0.44 3.52 0.38 -0.29 118.95 123.85 1iwa s ARG 41 Ca 0.25 -0.98 -0.03 0.00 -0.13 0.00 0.00 55.73 54.84 1iwa s ARG 41 Cb -0.12 -3.75 -0.03 0.00 -1.56 0.00 0.00 34.95 29.48 1iwa s ARG 41 CO 0.17 -0.64 -0.01 0.08 -0.81 0.00 0.00 175.30 174.09 1iwa s VAL 42 N 1.60 4.18 -0.50 7.11 1.01 0.11 -1.96 120.40 131.96 1iwa s VAL 42 Ca 0.03 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1iwa s VAL 42 Cb -0.19 -2.79 0.13 0.00 0.00 0.00 0.00 36.38 33.53 1iwa s VAL 42 CO 0.07 0.55 0.25 -0.89 0.00 0.00 0.00 175.10 175.09 1iwa s THR 43 N -0.33 2.23 0.59 3.92 2.01 -0.44 -1.13 115.64 122.48 1iwa s THR 43 Ca 0.06 -3.09 -0.18 0.00 0.31 0.00 0.00 61.69 58.79 1iwa s THR 43 Cb -0.12 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 1iwa s THR 43 CO 0.02 -0.83 1.14 -2.16 -0.69 0.00 0.00 174.62 172.10 1iwa s PRO 44 N -0.10 3.12 0.48 4.92 0.04 -1.26 0.14 135.00 142.33 1iwa s PRO 44 Ca 0.17 1.60 -0.23 0.00 0.04 0.00 0.00 61.00 62.58 1iwa s PRO 44 Cb -0.25 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 1iwa s PRO 44 CO 0.00 -1.04 1.28 -0.65 0.04 0.00 0.00 177.00 176.64 1iwa s GLN 45 N -3.50 3.58 -0.03 4.56 -1.52 0.37 -4.46 119.66 118.66 1iwa s GLN 45 Ca 0.72 2.07 -0.34 0.00 -1.95 0.00 0.00 55.36 55.87 1iwa s GLN 45 Cb -0.24 -2.45 -0.12 0.00 -0.22 0.00 0.00 33.01 29.98 1iwa s GLN 45 CO 0.32 -0.78 1.85 -0.35 -0.25 0.00 0.00 175.29 176.08 1iwa n PRO 46 N -0.51 2.28 0.00 2.91 -0.04 -1.26 -0.38 135.00 138.00 1iwa n PRO 46 Ca 0.07 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 1iwa n PRO 46 Cb 0.45 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 1iwa n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1iwa n GLY 47 N 4.29 0.64 3.58 0.55 0.00 -1.26 -5.08 105.19 107.91 1iwa n GLY 47 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1iwa n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwa s VAL 48 N -2.00 4.38 -0.06 1.61 1.01 0.49 -5.07 120.40 120.76 1iwa s VAL 48 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1iwa s VAL 48 Cb 0.00 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 1iwa s VAL 48 CO 0.00 0.48 1.55 -0.62 0.00 0.00 0.00 175.10 176.52 1iwa s ASP 49 N 0.28 6.74 0.23 3.32 3.68 -1.26 -4.75 116.67 124.90 1iwa s ASP 49 Ca 0.00 2.14 -0.16 0.00 2.13 0.00 0.00 52.55 56.66 1iwa s ASP 49 Cb -0.13 -2.54 0.26 0.00 -1.45 0.00 0.00 42.92 39.06 1iwa s ASP 49 CO 0.01 -0.87 1.57 1.55 0.13 0.00 0.00 175.17 177.57 1iwa h PRO 50 N 9.02 -0.04 -0.65 4.34 0.13 -1.97 0.42 132.00 143.24 1iwa h PRO 50 Ca -0.37 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.86 1iwa h PRO 50 Cb 1.17 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 1iwa h PRO 50 CO 0.95 -0.03 0.26 0.82 -0.23 0.00 0.00 178.00 179.78 1iwa h ILE 51 N -0.04 0.77 0.00 -3.56 2.04 -1.98 0.14 117.51 114.88 1iwa h ILE 51 Ca 0.34 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.99 1iwa h ILE 51 Cb 0.60 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1iwa h ILE 51 CO -0.89 0.08 -0.24 -0.08 0.00 0.00 0.00 178.15 177.03 1iwa h GLU 52 N 0.46 0.00 0.22 2.37 4.57 -0.67 -0.37 114.58 121.16 1iwa h GLU 52 Ca 0.33 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.50 1iwa h GLU 52 Cb 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1iwa h GLU 52 CO -0.31 0.24 -0.11 0.00 -1.18 0.00 0.00 179.01 177.65 1iwa h ALA 53 N 1.76 -0.30 -0.36 2.92 0.00 0.15 -1.43 119.26 122.00 1iwa h ALA 53 Ca -0.00 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1iwa h ALA 53 Cb 0.43 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 1iwa h ALA 53 CO 0.03 -0.44 -0.35 0.00 0.00 0.00 0.00 179.25 178.50 1iwa h ALA 54 N -0.17 -0.26 -0.82 0.00 0.00 -0.48 0.17 119.26 117.70 1iwa h ALA 54 Ca -0.03 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.07 1iwa h ALA 54 Cb 0.50 0.73 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1iwa h ALA 54 CO 0.05 -0.77 0.53 0.00 0.00 0.00 0.00 179.25 179.07 1iwa h ALA 55 N 0.64 1.79 -0.10 0.00 0.00 -1.09 0.76 119.26 121.25 1iwa h ALA 55 Ca 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1iwa h ALA 55 Cb 0.55 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1iwa h ALA 55 CO -0.52 0.02 0.04 0.00 0.00 0.00 0.00 179.25 178.79 1iwa h ALA 56 N 1.60 0.13 -0.92 0.00 0.00 0.40 0.31 119.26 120.78 1iwa h ALA 56 Ca 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1iwa h ALA 56 Cb 0.53 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1iwa h ALA 56 CO -0.15 -0.27 0.59 0.28 0.00 0.00 0.00 179.25 179.69 1iwa h VAL 57 N -0.01 1.24 -0.13 0.00 2.07 -0.09 0.23 116.25 119.57 1iwa h VAL 57 Ca 0.03 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1iwa h VAL 57 Cb 0.19 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1iwa h VAL 57 CO -0.00 0.25 0.07 0.00 0.02 0.00 0.00 177.57 177.90 1iwa h ALA 58 N 1.39 0.17 0.29 1.67 0.00 -0.37 -2.58 119.26 119.82 1iwa h ALA 58 Ca 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1iwa h ALA 58 Cb -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1iwa h ALA 58 CO -0.07 -0.28 -0.14 0.78 0.00 0.00 0.00 179.25 179.54 1iwa h GLY 59 N 0.10 -0.40 1.70 0.00 0.00 0.15 -3.19 103.07 101.41 1iwa h GLY 59 Ca 0.05 0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.54 1iwa h GLY 59 CO -0.01 -0.15 0.13 0.83 0.00 0.00 0.00 176.54 177.35 1iwa h GLU 60 N -0.82 0.00 -0.56 4.80 4.39 -0.61 -0.54 114.58 121.24 1iwa h GLU 60 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1iwa h GLU 60 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1iwa h GLU 60 CO 0.07 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.79 1iwa n SER 61 N -3.38 4.50 0.00 1.42 3.41 -0.97 -4.72 113.62 113.88 1iwa n SER 61 Ca -0.01 -2.50 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 1iwa n SER 61 Cb 0.22 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1iwa n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1iwa n SER 62 N 0.80 0.00 0.00 4.04 3.41 -0.28 -4.46 113.62 117.14 1iwa n SER 62 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1iwa n SER 62 Cb 0.86 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 1iwa n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1iwa n THR 63 N -0.66 0.00 -0.54 6.66 -2.24 -1.12 -5.00 114.28 111.38 1iwa n THR 63 Ca 0.00 -0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.45 1iwa n THR 63 Cb 0.00 0.77 0.28 0.00 -2.10 0.00 0.00 70.33 69.28 1iwa n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iwa s ALA 64 N -0.08 -0.42 -0.10 6.98 0.00 -0.81 -5.03 121.76 122.29 1iwa s ALA 64 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 1iwa s ALA 64 Cb 0.00 -2.91 0.12 0.00 0.00 0.00 0.00 23.12 20.33 1iwa s ALA 64 CO 0.00 -4.40 1.00 -0.08 0.00 0.00 0.00 175.76 172.28 1iwa s THR 65 N -2.45 0.00 0.13 0.00 -1.32 -1.26 -4.75 115.64 105.98 1iwa s THR 65 Ca 0.69 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 61.33 1iwa s THR 65 Cb -0.12 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.03 1iwa s THR 65 CO 0.57 0.00 1.38 4.11 -2.21 0.00 0.00 174.62 178.47 1iwa h TRP 66 N 2.19 0.00 -3.40 9.09 5.08 -1.98 -3.41 115.95 123.52 1iwa h TRP 66 Ca -0.18 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 59.58 1iwa h TRP 66 Cb 1.20 0.00 -0.28 0.00 -3.00 0.00 0.00 29.16 27.08 1iwa h TRP 66 CO 0.27 0.00 -0.59 -0.08 -1.28 0.00 0.00 178.44 176.76 1iwa s THR 67 N -3.45 -0.01 0.49 0.12 -1.32 -1.26 -4.65 115.64 105.56 1iwa s THR 67 Ca -0.02 0.04 -0.21 0.00 -1.21 0.00 0.00 61.69 60.29 1iwa s THR 67 Cb 0.04 -0.19 -0.09 0.00 -1.51 0.00 0.00 72.50 70.76 1iwa s THR 67 CO 0.14 0.02 0.83 0.52 -2.21 0.00 0.00 174.62 173.91 1iwa n VAL 68 N 3.30 2.58 -3.73 5.08 0.31 -0.98 -4.99 118.33 119.90 1iwa n VAL 68 Ca -0.16 -0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 63.49 1iwa n VAL 68 Cb 0.57 -0.96 -0.17 0.00 -0.91 0.00 0.00 33.84 32.37 1iwa n VAL 68 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1iwa s VAL 69 N -1.45 -0.05 0.48 2.52 -7.23 -1.26 -4.57 120.40 108.84 1iwa s VAL 69 Ca 0.67 0.32 0.39 0.00 -1.81 0.00 0.00 61.98 61.55 1iwa s VAL 69 Cb -0.51 -0.16 0.41 0.00 0.56 0.00 0.00 36.38 36.68 1iwa s VAL 69 CO 0.54 0.15 2.23 4.11 -0.31 0.00 0.00 175.10 181.82 1iwa h TRP 70 N 7.98 0.00 0.00 2.82 5.08 -1.96 -2.69 115.95 127.18 1iwa h TRP 70 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.71 1iwa h TRP 70 Cb 1.12 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.28 1iwa h TRP 70 CO 0.49 0.01 0.00 0.25 -1.28 0.00 0.00 178.44 177.91 1iwa n THR 71 N -3.18 1.74 0.16 0.12 -2.24 -1.26 -0.06 114.28 109.56 1iwa n THR 71 Ca -0.02 0.44 0.02 0.00 -2.27 0.00 0.00 64.05 62.22 1iwa n THR 71 Cb 0.16 -1.40 0.36 0.00 -2.10 0.00 0.00 70.33 67.34 1iwa n THR 71 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1iwa h ASP 72 N 0.00 0.09 0.16 3.42 5.19 -1.86 -2.27 116.42 121.15 1iwa h ASP 72 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1iwa h ASP 72 Cb 0.03 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.52 1iwa h ASP 72 CO 0.00 0.39 0.00 -0.07 -3.12 0.00 0.00 179.24 176.44 1iwa h LEU 73 N 0.08 0.00 -1.08 1.55 4.07 -0.72 -1.05 115.31 118.17 1iwa h LEU 73 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1iwa h LEU 73 Cb 0.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.32 1iwa h LEU 73 CO 0.04 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.58 1iwa n LEU 74 N -3.04 1.60 -4.22 1.67 4.77 -0.85 -4.89 117.00 112.03 1iwa n LEU 74 Ca -0.02 -0.72 -0.13 0.00 -0.03 0.00 0.00 56.01 55.11 1iwa n LEU 74 Cb 0.11 -0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 40.95 1iwa n LEU 74 CO 0.21 0.36 -0.26 0.42 -1.33 0.00 0.00 177.39 176.79 1iwa s THR 75 N -1.72 0.19 -1.54 -5.08 -4.23 -0.40 -5.02 115.64 97.84 1iwa s THR 75 Ca 0.28 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 58.70 1iwa s THR 75 Cb 0.15 -2.43 -0.02 0.00 1.34 0.00 0.00 72.50 71.53 1iwa s THR 75 CO 0.22 -0.11 2.66 0.00 -0.54 0.00 0.00 174.62 176.86 1iwa n ALA 76 N -0.28 6.85 -0.23 3.99 0.00 -1.26 -4.76 120.51 124.82 1iwa n ALA 76 Ca -0.00 -3.71 -0.05 0.00 0.00 0.00 0.00 53.44 49.68 1iwa n ALA 76 Cb 0.65 -3.36 0.01 0.00 0.00 0.00 0.00 19.45 16.76 1iwa n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iwa h ALA 77 N 5.28 -0.02 -0.26 0.00 0.00 -1.95 -0.38 119.26 121.94 1iwa h ALA 77 Ca 0.76 0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.92 1iwa h ALA 77 Cb 0.40 0.81 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1iwa h ALA 77 CO 1.78 -0.67 0.55 -0.44 0.00 0.00 0.00 179.25 180.47 1iwa h ASP 78 N -0.14 0.00 0.17 0.00 5.19 -1.93 -1.44 116.42 118.27 1iwa h ASP 78 Ca 0.25 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 56.30 1iwa h ASP 78 Cb 0.56 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.05 1iwa h ASP 78 CO -0.72 0.00 -1.94 0.25 -3.12 0.00 0.00 179.24 173.71 1iwa h LEU 79 N 0.00 0.40 0.00 1.55 7.12 -1.47 -3.37 115.31 119.54 1iwa h LEU 79 Ca 0.12 -0.87 0.00 0.00 0.13 0.00 0.00 57.88 57.26 1iwa h LEU 79 Cb 1.22 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.22 1iwa h LEU 79 CO -0.00 1.78 0.00 -1.22 -0.13 0.00 0.00 178.44 178.87 1iwa n TYR 80 N -3.46 0.00 -2.65 1.25 4.01 -0.57 -4.62 117.16 111.13 1iwa n TYR 80 Ca -0.30 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.03 1iwa n TYR 80 Cb 1.05 -0.47 -0.03 0.00 -0.31 0.00 0.00 39.34 39.58 1iwa n TYR 80 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1iwa s ARG 81 N -2.94 4.57 0.51 -0.72 0.52 -1.01 -4.48 118.95 115.40 1iwa s ARG 81 Ca 0.16 1.51 -0.18 0.00 -0.52 0.00 0.00 55.73 56.70 1iwa s ARG 81 Cb 0.19 -3.41 -0.08 0.00 0.52 0.00 0.00 34.95 32.17 1iwa s ARG 81 CO 0.50 -0.02 1.00 0.00 0.02 0.00 0.00 175.30 176.80 1iwa s ALA 82 N 0.71 2.98 -0.07 2.13 0.00 -1.26 -4.82 121.76 121.42 1iwa s ALA 82 Ca 0.52 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1iwa s ALA 82 Cb -0.24 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.74 1iwa s ALA 82 CO 0.29 -0.28 -0.05 -1.59 0.00 0.00 0.00 175.76 174.13 1iwa s LYS 83 N -3.78 1.10 -0.32 0.00 0.00 -0.73 -4.53 119.74 111.48 1iwa s LYS 83 Ca 0.61 -0.14 -0.29 0.00 0.00 0.00 0.00 55.97 56.16 1iwa s LYS 83 Cb -0.12 -1.17 0.01 0.00 0.00 0.00 0.00 37.83 36.56 1iwa s LYS 83 CO 0.27 -0.18 1.12 0.00 0.00 0.00 0.00 175.35 176.57 1iwa s ALA 84 N 1.38 3.46 -0.95 0.59 0.00 -0.65 -1.20 121.76 124.39 1iwa s ALA 84 Ca -0.03 -0.04 0.14 0.00 0.00 0.00 0.00 51.96 52.04 1iwa s ALA 84 Cb -0.13 -3.70 -0.09 0.00 0.00 0.00 0.00 23.12 19.19 1iwa s ALA 84 CO -0.03 -1.57 0.69 2.48 0.00 0.00 0.00 175.76 177.33 1iwa n TYR 85 N 7.04 0.00 -3.70 0.00 4.11 -0.62 -2.13 117.16 121.86 1iwa n TYR 85 Ca 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.90 1iwa n TYR 85 Cb 0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.72 1iwa n TYR 85 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 1iwa s LYS 86 N -2.10 0.56 -0.09 -3.48 2.20 -1.23 -4.33 119.74 111.26 1iwa s LYS 86 Ca 0.08 0.73 -0.04 0.00 -0.36 0.00 0.00 55.97 56.39 1iwa s LYS 86 Cb 0.11 0.23 0.05 0.00 -1.51 0.00 0.00 37.83 36.71 1iwa s LYS 86 CO 0.49 -0.09 0.18 0.08 -0.36 0.00 0.00 175.35 175.66 1iwa s VAL 87 N 0.50 -0.28 0.07 4.02 1.01 -1.26 -0.50 120.40 123.97 1iwa s VAL 87 Ca -0.02 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.32 1iwa s VAL 87 Cb -0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1iwa s VAL 87 CO -0.02 0.14 -0.11 -1.81 0.00 0.00 0.00 175.10 173.29 1iwa s ASP 88 N 2.22 1.37 0.36 3.32 -0.00 -0.57 -4.97 116.67 118.40 1iwa s ASP 88 Ca 0.02 -0.66 -0.25 0.00 -0.00 0.00 0.00 52.55 51.66 1iwa s ASP 88 Cb -0.12 -0.01 -0.10 0.00 -0.00 0.00 0.00 42.92 42.70 1iwa s ASP 88 CO -0.06 -0.17 0.98 -1.58 -0.00 0.00 0.00 175.17 174.34 1iwa s GLN 89 N -2.01 4.39 0.10 8.23 0.74 -1.26 0.11 119.66 129.95 1iwa s GLN 89 Ca -0.02 1.37 -0.31 0.00 0.05 0.00 0.00 55.36 56.45 1iwa s GLN 89 Cb -0.08 -2.62 -0.07 0.00 1.10 0.00 0.00 33.01 31.34 1iwa s GLN 89 CO 0.01 0.09 1.31 0.08 -0.55 0.00 0.00 175.29 176.23 1iwa s VAL 90 N -1.71 3.56 0.00 1.34 1.01 0.43 -4.73 120.40 120.31 1iwa s VAL 90 Ca 0.54 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1iwa s VAL 90 Cb -0.19 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1iwa s VAL 90 CO 0.24 0.10 0.08 -2.65 0.00 0.00 0.00 175.10 172.86 1iwa n PRO 91 N 3.80 0.00 -0.51 2.72 -0.02 -1.26 -1.91 135.00 137.82 1iwa n PRO 91 Ca 0.10 0.08 0.05 0.00 -2.02 0.00 0.00 63.50 61.71 1iwa n PRO 91 Cb 0.44 -0.12 0.22 0.00 -0.02 0.00 0.00 33.50 34.02 1iwa n PRO 91 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1iwa n ASN 92 N -2.01 3.18 -3.62 2.55 5.03 -1.26 -4.82 115.26 114.30 1iwa n ASN 92 Ca 0.00 -3.29 -0.29 0.00 0.87 0.00 0.00 54.58 51.87 1iwa n ASN 92 Cb 0.00 -0.56 -0.13 0.00 -1.02 0.00 0.00 39.78 38.07 1iwa n ASN 92 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1iwa s ASN 93 N -2.28 3.43 0.66 6.41 3.84 -0.80 -4.98 114.94 121.22 1iwa s ASN 93 Ca 0.42 -2.39 0.38 0.00 0.21 0.00 0.00 52.86 51.47 1iwa s ASN 93 Cb 0.35 -0.79 2.06 0.00 -0.55 0.00 0.00 41.25 42.33 1iwa s ASN 93 CO 0.05 -0.29 2.17 1.55 -2.79 0.00 0.00 177.10 177.78 1iwa h PRO 94 N 6.94 0.00 0.00 0.43 0.13 -1.88 -0.36 132.00 137.25 1iwa h PRO 94 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1iwa h PRO 94 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1iwa h PRO 94 CO 0.40 0.00 -0.02 0.39 -0.23 0.00 0.00 178.00 178.54 1iwa n GLU 95 N -3.03 0.04 -4.39 0.86 1.02 -1.26 -4.86 120.64 109.02 1iwa n GLU 95 Ca -0.02 0.04 -0.26 0.00 -0.02 0.00 0.00 57.16 56.89 1iwa n GLU 95 Cb 0.22 -1.55 -0.12 0.00 -0.02 0.00 0.00 31.44 29.96 1iwa n GLU 95 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1iwa s GLN 96 N -3.02 1.42 -0.01 3.49 -0.21 -0.14 -4.18 119.66 117.01 1iwa s GLN 96 Ca 0.13 -1.44 -0.06 0.00 0.02 0.00 0.00 55.36 54.02 1iwa s GLN 96 Cb 0.18 -1.74 0.00 0.00 1.00 0.00 0.00 33.01 32.45 1iwa s GLN 96 CO 0.55 0.38 0.12 0.71 -2.12 0.00 0.00 175.29 174.93 1iwa s TYR 97 N -1.55 -0.01 -0.21 0.91 1.51 -0.28 -0.43 117.35 117.30 1iwa s TYR 97 Ca 0.17 0.01 -0.17 0.00 -1.01 0.00 0.00 57.07 56.07 1iwa s TYR 97 Cb -0.08 -0.03 -0.04 0.00 -0.11 0.00 0.00 41.96 41.71 1iwa s TYR 97 CO 0.08 -0.20 0.46 -0.06 -1.11 0.00 0.00 175.55 174.72 1iwa s PHE 98 N -0.89 3.36 -0.17 2.71 0.08 0.30 0.09 117.98 123.46 1iwa s PHE 98 Ca -0.10 0.68 0.00 0.00 0.12 0.00 0.00 56.93 57.64 1iwa s PHE 98 Cb -0.06 -2.61 0.01 0.00 -0.57 0.00 0.00 43.02 39.79 1iwa s PHE 98 CO 0.01 -0.08 -0.17 0.00 -0.10 0.00 0.00 175.22 174.89 1iwa s ALA 99 N 1.55 2.44 -0.11 5.36 0.00 0.61 -1.52 121.76 130.09 1iwa s ALA 99 Ca 0.21 -1.13 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 1iwa s ALA 99 Cb -0.15 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 1iwa s ALA 99 CO 0.09 -0.18 0.46 0.71 0.00 0.00 0.00 175.76 176.83 1iwa s TYR 100 N 1.05 3.53 -0.04 0.00 1.51 0.35 -1.35 117.35 122.41 1iwa s TYR 100 Ca -0.01 0.88 0.02 0.00 -1.01 0.00 0.00 57.07 56.95 1iwa s TYR 100 Cb -0.14 -2.51 0.01 0.00 -0.11 0.00 0.00 41.96 39.21 1iwa s TYR 100 CO -0.05 0.22 -0.07 0.42 -1.11 0.00 0.00 175.55 174.96 1iwa s ILE 101 N 0.43 0.71 -0.11 2.71 1.01 -0.19 -1.59 121.20 124.16 1iwa s ILE 101 Ca 0.25 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.60 1iwa s ILE 101 Cb -0.15 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 1iwa s ILE 101 CO 0.10 0.25 0.02 0.00 0.00 0.00 0.00 174.94 175.31 1iwa s ALA 102 N 0.59 3.34 0.02 9.38 0.00 -0.34 -0.90 121.76 133.85 1iwa s ALA 102 Ca -0.09 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.17 1iwa s ALA 102 Cb -0.12 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 1iwa s ALA 102 CO 0.01 0.48 -0.24 0.71 0.00 0.00 0.00 175.76 176.71 1iwa s TYR 103 N -0.53 2.12 0.09 0.00 1.51 0.64 -1.77 117.35 119.42 1iwa s TYR 103 Ca 0.10 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.45 1iwa s TYR 103 Cb -0.12 -1.30 -0.06 0.00 -0.11 0.00 0.00 41.96 40.36 1iwa s TYR 103 CO 0.02 0.06 1.24 -2.00 -1.11 0.00 0.00 175.55 173.76 1iwa s GLU 104 N -0.98 4.42 0.28 -0.62 2.56 -1.26 -1.26 118.70 121.84 1iwa s GLU 104 Ca 0.10 1.85 0.01 0.00 0.00 0.00 0.00 54.97 56.93 1iwa s GLU 104 Cb -0.09 -3.31 0.68 0.00 2.00 0.00 0.00 34.13 33.41 1iwa s GLU 104 CO 0.01 -0.27 1.64 1.25 -0.56 0.00 0.00 175.26 177.33 1iwa h LEU 105 N 6.58 -0.05 0.00 2.70 6.46 -1.93 0.23 115.31 129.30 1iwa h LEU 105 Ca -0.42 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.54 1iwa h LEU 105 Cb 1.21 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 41.42 1iwa h LEU 105 CO 0.81 -0.16 0.00 0.47 -0.62 0.00 0.00 178.44 178.94 1iwa n ASP 106 N -5.25 0.00 0.24 1.25 8.00 -1.26 -2.00 116.55 117.54 1iwa n ASP 106 Ca 0.21 0.48 0.14 0.00 0.71 0.00 0.00 54.79 56.32 1iwa n ASP 106 Cb 0.66 -0.48 0.42 0.00 -0.02 0.00 0.00 41.12 41.70 1iwa n ASP 106 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1iwa h LEU 107 N 0.00 0.00 -9.38 0.64 3.38 -0.91 -3.46 115.31 105.58 1iwa h LEU 107 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1iwa h LEU 107 Cb 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.63 1iwa h LEU 107 CO 0.00 0.03 -0.62 -0.36 0.09 0.00 0.00 178.44 177.58 1iwa s PHE 108 N -3.44 3.15 0.01 1.13 0.08 -0.85 -5.05 117.98 113.01 1iwa s PHE 108 Ca 0.04 0.15 -0.30 0.00 0.12 0.00 0.00 56.93 56.94 1iwa s PHE 108 Cb 0.07 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 1iwa s PHE 108 CO 0.61 0.49 1.05 -2.00 -0.10 0.00 0.00 175.22 175.27 1iwa s GLU 109 N -1.36 4.50 0.32 0.44 2.12 -1.26 -4.97 118.70 118.49 1iwa s GLU 109 Ca 0.18 1.53 -0.29 0.00 0.36 0.00 0.00 54.97 56.75 1iwa s GLU 109 Cb -0.12 -3.44 -0.12 0.00 0.26 0.00 0.00 34.13 30.71 1iwa s GLU 109 CO 0.08 -0.15 1.40 0.39 -0.54 0.00 0.00 175.26 176.45 1iwa n GLU 110 N 4.07 2.30 -2.26 4.30 4.71 -1.26 -2.95 120.64 129.54 1iwa n GLU 110 Ca 0.07 0.81 -0.17 0.00 -0.01 0.00 0.00 57.16 57.87 1iwa n GLU 110 Cb 0.49 -2.47 -0.02 0.00 -1.01 0.00 0.00 31.44 28.43 1iwa n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iwa n GLY 111 N 1.28 -0.15 3.01 0.62 0.00 -1.25 -4.97 105.19 103.73 1iwa n GLY 111 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1iwa n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iwa s SER 112 N -2.10 4.17 0.25 1.61 0.15 -1.15 -4.92 113.70 111.71 1iwa s SER 112 Ca 0.00 -1.29 -0.00 0.00 0.70 0.00 0.00 55.95 55.35 1iwa s SER 112 Cb 0.00 -1.38 0.31 0.00 -1.71 0.00 0.00 66.02 63.24 1iwa s SER 112 CO 0.00 -0.21 1.68 0.40 1.20 0.00 0.00 173.24 176.31 1iwa h ILE 113 N 6.72 1.27 -0.14 6.45 1.08 -1.93 -2.21 117.51 128.74 1iwa h ILE 113 Ca -0.19 -1.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.96 1iwa h ILE 113 Cb 1.05 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 36.12 1iwa h ILE 113 CO 0.44 0.43 0.09 0.00 -0.69 0.00 0.00 178.15 178.42 1iwa h ALA 114 N 1.21 0.18 -0.50 1.87 0.00 -1.93 0.85 119.26 120.94 1iwa h ALA 114 Ca 0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1iwa h ALA 114 Cb 0.72 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1iwa h ALA 114 CO 0.06 -0.32 -0.01 -0.97 0.00 0.00 0.00 179.25 178.00 1iwa h ASN 115 N 0.18 0.88 0.18 0.00 -0.73 -1.90 0.46 115.58 114.66 1iwa h ASN 115 Ca 0.05 -0.31 0.01 0.00 1.87 0.00 0.00 56.30 57.92 1iwa h ASN 115 Cb -0.00 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.33 1iwa h ASN 115 CO -0.01 0.98 -0.25 0.25 -0.37 0.00 0.00 177.43 178.03 1iwa h LEU 116 N 0.75 -0.68 -1.06 0.34 5.85 -1.07 -2.65 115.31 116.80 1iwa h LEU 116 Ca 0.14 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 1iwa h LEU 116 Cb 0.54 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1iwa h LEU 116 CO 0.03 -0.35 -0.45 0.71 -0.34 0.00 0.00 178.44 178.04 1iwa h THR 117 N -0.49 1.23 -0.42 1.05 1.35 -0.80 -2.32 112.91 112.52 1iwa h THR 117 Ca 0.01 -1.59 -0.02 0.00 -0.55 0.00 0.00 66.41 64.27 1iwa h THR 117 Cb 0.48 1.88 -0.02 0.00 -1.73 0.00 0.00 68.15 68.76 1iwa h THR 117 CO -0.10 0.44 0.19 0.00 -0.25 0.00 0.00 175.52 175.81 1iwa h ALA 118 N 1.55 1.55 0.00 6.62 0.00 -0.58 0.20 119.26 128.60 1iwa h ALA 118 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1iwa h ALA 118 Cb 0.84 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1iwa h ALA 118 CO 0.06 0.36 -0.14 0.77 0.00 0.00 0.00 179.25 180.30 1iwa h SER 119 N 0.59 0.00 -0.36 0.00 0.02 -1.30 -2.49 113.55 110.01 1iwa h SER 119 Ca 0.15 -0.18 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1iwa h SER 119 Cb 0.08 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1iwa h SER 119 CO -0.02 0.66 0.16 0.40 -1.14 0.00 0.00 176.83 176.89 1iwa h ILE 120 N -1.00 0.95 -0.10 3.27 1.08 -1.40 -3.26 117.51 117.05 1iwa h ILE 120 Ca -0.02 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1iwa h ILE 120 Cb 0.30 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 1iwa h ILE 120 CO -0.01 0.06 0.00 2.30 -0.69 0.00 0.00 178.15 179.81 1iwa n ILE 121 N -4.97 1.94 0.36 -0.67 -5.35 0.68 -4.81 119.36 106.54 1iwa n ILE 121 Ca 0.01 -2.03 -0.15 0.00 -0.27 0.00 0.00 62.75 60.32 1iwa n ILE 121 Cb 0.10 -0.18 -0.07 0.00 -1.74 0.00 0.00 39.64 37.75 1iwa n ILE 121 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1iwa h GLY 122 N 0.66 -1.03 0.00 3.28 0.00 -1.29 -3.43 103.07 101.26 1iwa h GLY 122 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1iwa h GLY 122 CO 0.07 -0.36 -0.68 0.70 0.00 0.00 0.00 176.54 176.27 1iwa n ASN 123 N -4.60 3.40 0.28 0.19 3.02 -1.26 -4.84 115.26 111.44 1iwa n ASN 123 Ca -0.12 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.60 1iwa n ASN 123 Cb 0.37 0.64 0.78 0.00 -0.61 0.00 0.00 39.78 40.97 1iwa n ASN 123 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1iwa h VAL 124 N 0.00 0.09 0.00 2.41 -1.51 -1.84 -1.21 116.25 114.19 1iwa h VAL 124 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1iwa h VAL 124 Cb 0.08 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 29.89 1iwa h VAL 124 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 177.57 176.08 1iwa h PHE 125 N 0.00 0.00 -0.50 5.19 -1.00 -1.88 -3.23 116.94 115.52 1iwa h PHE 125 Ca 0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1iwa h PHE 125 Cb 0.80 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.36 1iwa h PHE 125 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1iwa n GLY 126 N 1.20 3.01 3.73 -1.45 0.00 -0.46 -4.89 105.19 106.34 1iwa n GLY 126 Ca 0.05 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1iwa n GLY 126 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iwa s PHE 127 N -1.82 3.43 0.09 1.61 5.36 -1.22 -4.96 117.98 120.47 1iwa s PHE 127 Ca 0.43 1.40 -0.18 0.00 -0.96 0.00 0.00 56.93 57.62 1iwa s PHE 127 Cb 0.28 -3.43 -0.07 0.00 -0.34 0.00 0.00 43.02 39.45 1iwa s PHE 127 CO 0.20 -1.24 1.51 0.87 -1.46 0.00 0.00 175.22 175.10 1iwa h LYS 128 N 5.50 0.50 -0.07 10.12 1.57 -1.93 -3.06 116.57 129.20 1iwa h LYS 128 Ca -0.44 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.19 1iwa h LYS 128 Cb 1.21 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 1iwa h LYS 128 CO 0.76 0.69 0.29 0.00 -0.57 0.00 0.00 179.45 180.61 1iwa h ALA 129 N 0.80 1.44 -3.08 3.86 0.00 -1.99 -3.37 119.26 116.92 1iwa h ALA 129 Ca 0.07 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.31 1iwa h ALA 129 Cb 0.48 0.01 -0.28 0.00 0.00 0.00 0.00 17.79 17.99 1iwa h ALA 129 CO 0.02 -0.32 -0.69 0.08 0.00 0.00 0.00 179.25 178.34 1iwa s VAL 130 N -4.23 3.46 0.14 0.00 1.01 -1.16 -0.48 120.40 119.14 1iwa s VAL 130 Ca -0.04 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.10 1iwa s VAL 130 Cb 0.11 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1iwa s VAL 130 CO 0.36 0.24 1.61 0.50 0.00 0.00 0.00 175.10 177.80 1iwa h LYS 131 N 8.13 0.76 -3.61 2.72 3.64 -0.46 -3.44 116.57 124.30 1iwa h LYS 131 Ca -0.35 -0.22 -0.13 0.00 -1.27 0.00 0.00 60.65 58.68 1iwa h LYS 131 Cb 1.13 -0.08 -0.19 0.00 -0.41 0.00 0.00 32.23 32.69 1iwa h LYS 131 CO 0.59 0.79 -0.47 0.00 -2.27 0.00 0.00 179.45 178.10 1iwa s ALA 132 N -5.12 -0.25 -0.14 5.00 0.00 -0.81 -5.02 121.76 115.40 1iwa s ALA 132 Ca -0.13 -0.31 -0.19 0.00 0.00 0.00 0.00 51.96 51.34 1iwa s ALA 132 Cb 0.11 0.20 0.05 0.00 0.00 0.00 0.00 23.12 23.48 1iwa s ALA 132 CO 0.80 -0.29 0.49 -1.17 0.00 0.00 0.00 175.76 175.59 1iwa s LEU 133 N -1.83 0.11 -0.13 0.00 2.96 -1.21 -1.32 118.68 117.25 1iwa s LEU 133 Ca -0.09 0.83 -0.06 0.00 -0.22 0.00 0.00 54.13 54.60 1iwa s LEU 133 Cb -0.04 1.75 0.06 0.00 0.50 0.00 0.00 46.19 48.47 1iwa s LEU 133 CO -0.02 -0.27 0.29 -0.60 -1.32 0.00 0.00 176.35 174.43 1iwa s ARG 134 N -0.17 0.22 -0.48 1.98 3.52 -0.83 -0.86 118.95 122.33 1iwa s ARG 134 Ca -0.04 0.68 -0.27 0.00 -0.13 0.00 0.00 55.73 55.97 1iwa s ARG 134 Cb -0.03 -0.04 0.03 0.00 -1.56 0.00 0.00 34.95 33.34 1iwa s ARG 134 CO 0.02 -0.21 1.05 -1.17 -0.81 0.00 0.00 175.30 174.18 1iwa s LEU 135 N 1.79 3.79 -0.03 -0.88 2.96 0.41 -0.47 118.68 126.25 1iwa s LEU 135 Ca -0.05 0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1iwa s LEU 135 Cb -0.11 -3.36 -0.27 0.00 0.50 0.00 0.00 46.19 42.95 1iwa s LEU 135 CO -0.09 -1.19 0.73 -0.33 -1.32 0.00 0.00 176.35 174.14 1iwa h GLU 136 N 9.20 0.23 -2.46 1.98 4.39 -1.14 -1.36 114.58 125.42 1iwa h GLU 136 Ca -0.24 -0.39 0.04 0.00 0.34 0.00 0.00 59.36 59.11 1iwa h GLU 136 Cb 1.07 0.15 -0.15 0.00 -0.10 0.00 0.00 28.75 29.71 1iwa h GLU 136 CO 1.09 1.07 0.36 0.34 -1.16 0.00 0.00 179.01 180.70 1iwa s ASP 137 N -6.90 -0.48 0.07 1.42 2.15 -1.15 -4.61 116.67 107.17 1iwa s ASP 137 Ca -0.11 0.12 0.04 0.00 0.43 0.00 0.00 52.55 53.02 1iwa s ASP 137 Cb 0.07 0.48 -0.03 0.00 -0.30 0.00 0.00 42.92 43.14 1iwa s ASP 137 CO 0.83 -0.73 -0.11 -0.04 -0.17 0.00 0.00 175.17 174.96 1iwa s MET 138 N -2.97 0.72 -0.33 4.34 -1.94 -1.26 -0.64 119.30 117.22 1iwa s MET 138 Ca 0.01 -0.93 0.04 0.00 -1.71 0.00 0.00 55.69 53.10 1iwa s MET 138 Cb -0.01 -0.56 0.09 0.00 2.01 0.00 0.00 34.83 36.36 1iwa s MET 138 CO -0.07 0.11 0.03 0.50 -0.01 0.00 0.00 175.02 175.57 1iwa s ARG 139 N -1.92 1.60 -0.23 2.03 3.00 0.36 -4.88 118.95 118.91 1iwa s ARG 139 Ca -0.03 -1.80 -0.18 0.00 -1.00 0.00 0.00 55.73 52.72 1iwa s ARG 139 Cb -0.08 -3.16 -0.03 0.00 0.00 0.00 0.00 34.95 31.67 1iwa s ARG 139 CO 0.01 -0.88 0.50 -0.51 0.00 0.00 0.00 175.30 174.42 1iwa s LEU 140 N 0.93 4.10 0.48 -0.88 1.43 -1.26 -1.35 118.68 122.13 1iwa s LEU 140 Ca 0.08 0.57 -0.22 0.00 -1.03 0.00 0.00 54.13 53.53 1iwa s LEU 140 Cb -0.19 -2.65 -0.07 0.00 0.03 0.00 0.00 46.19 43.30 1iwa s LEU 140 CO -0.08 -0.22 1.16 -2.16 0.23 0.00 0.00 176.35 175.28 1iwa s PRO 141 N 1.94 3.65 0.23 1.29 0.04 -1.26 -4.78 135.00 136.11 1iwa s PRO 141 Ca 0.22 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 62.85 1iwa s PRO 141 Cb -0.15 -2.30 0.27 0.00 0.04 0.00 0.00 34.50 32.36 1iwa s PRO 141 CO 0.09 -0.63 1.59 -0.07 0.04 0.00 0.00 177.00 178.02 1iwa h LEU 142 N 1.82 -0.93 -1.12 -3.56 4.07 -1.85 0.28 115.31 114.02 1iwa h LEU 142 Ca -0.50 0.25 0.14 0.00 0.08 0.00 0.00 57.88 57.85 1iwa h LEU 142 Cb 1.25 0.55 -0.08 0.00 1.08 0.00 0.00 40.66 43.46 1iwa h LEU 142 CO 0.59 -0.28 0.61 0.00 -1.08 0.00 0.00 178.44 178.28 1iwa h ALA 143 N 1.55 1.68 -0.02 1.53 0.00 -1.93 0.23 119.26 122.30 1iwa h ALA 143 Ca 0.34 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.14 1iwa h ALA 143 Cb 0.58 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1iwa h ALA 143 CO -0.81 0.05 -0.54 -0.92 0.00 0.00 0.00 179.25 177.03 1iwa h TYR 144 N 0.83 0.58 -0.67 0.00 3.20 -1.36 -3.27 116.97 116.27 1iwa h TYR 144 Ca 0.50 -0.30 0.05 0.00 3.14 0.00 0.00 58.73 62.11 1iwa h TYR 144 Cb 0.67 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.83 1iwa h TYR 144 CO -0.00 1.11 0.44 -0.07 -1.64 0.00 0.00 178.16 178.00 1iwa h LEU 145 N -0.12 0.64 -1.59 2.82 4.07 -0.30 -0.36 115.31 120.46 1iwa h LEU 145 Ca -0.06 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1iwa h LEU 145 Cb 1.24 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.84 1iwa h LEU 145 CO 0.11 0.42 0.00 0.11 -1.08 0.00 0.00 178.44 178.00 1iwa h LYS 146 N 0.73 0.00 0.00 1.13 1.79 -1.04 -1.36 116.57 117.83 1iwa h LYS 146 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1iwa h LYS 146 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1iwa h LYS 146 CO -0.08 0.00 -0.20 0.25 -1.08 0.00 0.00 179.45 178.33 1iwa n THR 147 N -2.60 0.07 -3.94 -0.16 -2.24 -0.15 -4.85 114.28 100.41 1iwa n THR 147 Ca -0.00 -0.04 -0.28 0.00 -2.27 0.00 0.00 64.05 61.46 1iwa n THR 147 Cb 0.15 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 1iwa n THR 147 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1iwa s PHE 148 N -3.02 3.50 0.01 4.78 0.40 -0.51 -3.77 117.98 119.36 1iwa s PHE 148 Ca 0.12 0.16 -0.23 0.00 -0.60 0.00 0.00 56.93 56.39 1iwa s PHE 148 Cb 0.18 -1.70 -0.18 0.00 0.51 0.00 0.00 43.02 41.83 1iwa s PHE 148 CO 0.60 0.54 1.27 0.37 0.70 0.00 0.00 175.22 178.70 1iwa h GLN 149 N 2.47 0.22 0.00 0.44 4.15 -1.85 -3.50 115.11 117.05 1iwa h GLN 149 Ca -0.47 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 58.82 1iwa h GLN 149 Cb 1.18 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1iwa h GLN 149 CO 0.71 0.70 0.00 0.41 -1.93 0.00 0.00 178.83 178.72 1iwa n GLY 150 N 0.35 -0.32 3.56 2.39 0.00 -0.97 -4.77 105.19 105.44 1iwa n GLY 150 Ca -0.07 -1.78 -0.51 0.00 0.00 0.00 0.00 46.02 43.66 1iwa n GLY 150 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1iwa n PRO 151 N -0.29 0.94 -0.22 1.61 -0.02 -1.19 -3.88 135.00 131.93 1iwa n PRO 151 Ca 0.00 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1iwa n PRO 151 Cb 0.00 -1.84 0.24 0.00 -0.02 0.00 0.00 33.50 31.88 1iwa n PRO 151 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iwa h ALA 152 N 3.45 1.45 0.00 3.55 0.00 -1.08 -3.38 119.26 123.25 1iwa h ALA 152 Ca -0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1iwa h ALA 152 Cb 1.36 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1iwa h ALA 152 CO 0.70 0.51 -0.35 2.41 0.00 0.00 0.00 179.25 182.52 1iwa n THR 153 N -4.42 1.21 0.00 0.00 -1.04 -1.26 -4.61 114.28 104.17 1iwa n THR 153 Ca 0.08 0.30 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 1iwa n THR 153 Cb 0.03 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 66.73 1iwa n THR 153 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1iwa n GLY 154 N 2.71 -0.15 0.31 3.41 0.00 -1.26 -4.25 105.19 105.96 1iwa n GLY 154 Ca -0.05 -1.39 0.13 0.00 0.00 0.00 0.00 46.02 44.71 1iwa n GLY 154 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iwa h VAL 155 N 0.00 0.22 0.56 1.61 2.07 -1.69 0.14 116.25 119.17 1iwa h VAL 155 Ca 0.00 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1iwa h VAL 155 Cb 0.00 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1iwa h VAL 155 CO 0.00 0.02 -0.27 0.40 0.02 0.00 0.00 177.57 177.74 1iwa h ILE 156 N 0.12 0.41 -0.50 4.57 1.08 -1.87 0.34 117.51 121.66 1iwa h ILE 156 Ca 0.56 -0.19 -0.04 0.00 -0.39 0.00 0.00 64.86 64.79 1iwa h ILE 156 Cb 1.14 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 35.35 1iwa h ILE 156 CO -0.74 0.03 0.13 0.25 -0.69 0.00 0.00 178.15 177.13 1iwa h LEU 157 N -0.88 0.70 -0.32 1.44 5.85 -1.61 -1.50 115.31 118.98 1iwa h LEU 157 Ca -0.08 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1iwa h LEU 157 Cb 0.62 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1iwa h LEU 157 CO 0.13 0.68 0.20 -0.08 -0.34 0.00 0.00 178.44 179.03 1iwa h GLU 158 N 0.74 0.44 -0.71 1.25 4.81 -0.57 0.12 114.58 120.64 1iwa h GLU 158 Ca 0.17 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1iwa h GLU 158 Cb 0.25 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1iwa h GLU 158 CO -0.00 0.33 0.36 0.00 -0.73 0.00 0.00 179.01 178.96 1iwa h ARG 159 N 0.42 1.00 0.00 1.92 3.08 -0.51 -1.07 114.38 119.21 1iwa h ARG 159 Ca 0.12 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 1iwa h ARG 159 Cb -0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1iwa h ARG 159 CO -0.02 0.76 -0.49 0.93 -1.07 0.00 0.00 179.97 180.07 1iwa h GLU 160 N 1.00 0.00 0.00 0.04 5.08 -0.62 0.53 114.58 120.62 1iwa h GLU 160 Ca 0.25 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1iwa h GLU 160 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1iwa h GLU 160 CO -0.04 0.49 -0.45 0.00 -1.00 0.00 0.00 179.01 178.02 1iwa h ARG 161 N 0.00 0.00 0.00 2.33 3.08 -0.08 -3.25 114.38 116.45 1iwa h ARG 161 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1iwa h ARG 161 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1iwa h ARG 161 CO 0.06 0.45 -1.56 1.28 -1.07 0.00 0.00 179.97 179.13 1iwa n LEU 162 N -3.25 0.36 -3.27 3.04 4.77 -0.47 -4.99 117.00 113.18 1iwa n LEU 162 Ca 0.02 0.10 -0.17 0.00 -0.03 0.00 0.00 56.01 55.92 1iwa n LEU 162 Cb 0.69 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 41.83 1iwa n LEU 162 CO 0.39 -0.05 0.13 -0.67 -1.33 0.00 0.00 177.39 175.86 1iwa n ASP 163 N -2.36 -3.02 -3.69 -1.43 4.64 0.18 -4.42 116.55 106.46 1iwa n ASP 163 Ca -0.02 -0.55 -0.22 0.00 -1.38 0.00 0.00 54.79 52.61 1iwa n ASP 163 Cb 0.55 -4.75 -0.18 0.00 -1.04 0.00 0.00 41.12 35.70 1iwa n ASP 163 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1iwa s LYS 164 N -5.49 0.15 0.39 -0.67 1.02 -1.09 -5.02 119.74 109.02 1iwa s LYS 164 Ca 0.13 0.18 0.03 0.00 0.02 0.00 0.00 55.97 56.33 1iwa s LYS 164 Cb -0.06 -0.97 -0.01 0.00 -0.52 0.00 0.00 37.83 36.27 1iwa s LYS 164 CO 0.67 -0.41 0.11 1.19 -0.92 0.00 0.00 175.35 175.99 1iwa n PHE 165 N 5.25 0.29 -1.40 3.18 3.01 -1.26 -4.76 117.46 121.77 1iwa n PHE 165 Ca -0.05 -2.35 -0.07 0.00 1.01 0.00 0.00 57.45 55.99 1iwa n PHE 165 Cb 0.50 -0.06 -0.02 0.00 -0.01 0.00 0.00 39.48 39.88 1iwa n PHE 165 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iwa n GLY 166 N -0.49 0.45 3.45 1.37 0.00 -1.26 -4.87 105.19 103.84 1iwa n GLY 166 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 1iwa n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iwa s ARG 167 N -2.95 1.20 0.86 1.61 1.70 -1.26 -5.07 118.95 115.04 1iwa s ARG 167 Ca 0.00 -0.25 -0.11 0.00 -0.47 0.00 0.00 55.73 54.90 1iwa s ARG 167 Cb 0.00 0.56 0.11 0.00 -0.57 0.00 0.00 34.95 35.04 1iwa s ARG 167 CO 0.00 -0.49 1.10 -2.14 -1.08 0.00 0.00 175.30 172.69 1iwa s PRO 168 N -2.98 1.54 0.23 3.89 0.02 -1.01 -4.81 135.00 131.88 1iwa s PRO 168 Ca -0.02 1.10 0.04 0.00 0.02 0.00 0.00 61.00 62.14 1iwa s PRO 168 Cb -0.01 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.66 1iwa s PRO 168 CO -0.06 -2.12 0.36 -0.51 -0.33 0.00 0.00 177.00 174.33 1iwa s LEU 169 N -6.21 4.31 -0.06 -5.54 1.43 0.25 -4.94 118.68 107.92 1iwa s LEU 169 Ca 0.63 0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.89 1iwa s LEU 169 Cb -0.19 -2.89 -0.01 0.00 0.03 0.00 0.00 46.19 43.14 1iwa s LEU 169 CO 0.57 -0.06 -0.24 -0.76 0.23 0.00 0.00 176.35 176.08 1iwa s LEU 170 N -3.90 2.10 0.30 1.79 1.43 -1.26 -0.26 118.68 118.89 1iwa s LEU 170 Ca 0.34 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1iwa s LEU 170 Cb -0.09 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 1iwa s LEU 170 CO 0.29 0.24 0.21 -0.83 0.23 0.00 0.00 176.35 176.50 1iwa s GLY 171 N -0.15 2.11 -0.27 -3.19 0.00 0.10 0.10 107.32 106.02 1iwa s GLY 171 Ca -0.04 -1.88 -0.11 0.00 0.00 0.00 0.00 44.72 42.69 1iwa s GLY 171 CO 0.04 -1.50 0.62 0.00 0.00 0.00 0.00 173.10 172.25 1iwa s THR 173 N 2.37 4.79 0.30 0.00 2.01 -1.26 -0.85 115.64 123.00 1iwa s THR 173 Ca -0.07 1.71 -0.28 0.00 0.31 0.00 0.00 61.69 63.36 1iwa s THR 173 Cb -0.10 -4.18 -0.14 0.00 0.01 0.00 0.00 72.50 68.10 1iwa s THR 173 CO -0.18 -0.10 1.08 0.41 -0.69 0.00 0.00 174.62 175.13 1iwa n THR 174 N 5.25 2.00 -4.22 -0.82 -1.04 -0.83 -4.58 114.28 110.04 1iwa n THR 174 Ca 0.07 -0.50 -0.17 0.00 -2.04 0.00 0.00 64.05 61.42 1iwa n THR 174 Cb 0.47 -1.13 -0.13 0.00 -1.82 0.00 0.00 70.33 67.72 1iwa n THR 174 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1iwa s LYS 175 N -1.63 0.70 0.81 -2.82 -0.14 -1.26 -4.13 119.74 111.27 1iwa s LYS 175 Ca 0.58 -0.63 -0.12 0.00 -1.36 0.00 0.00 55.97 54.44 1iwa s LYS 175 Cb -0.67 -0.63 0.09 0.00 -1.68 0.00 0.00 37.83 34.94 1iwa s LYS 175 CO 0.60 0.15 1.14 -1.25 -0.76 0.00 0.00 175.35 175.24 1iwa s PRO 176 N -1.04 1.76 0.17 -1.68 0.04 -1.26 -5.07 135.00 127.92 1iwa s PRO 176 Ca -0.02 1.47 -0.16 0.00 0.04 0.00 0.00 61.00 62.33 1iwa s PRO 176 Cb -0.07 -1.82 0.13 0.00 0.04 0.00 0.00 34.50 32.78 1iwa s PRO 176 CO 0.01 -2.07 1.68 0.87 0.04 0.00 0.00 177.00 177.53 1iwa h LYS 177 N -1.18 0.06 -5.31 4.56 1.57 -1.96 -3.44 116.57 110.87 1iwa h LYS 177 Ca -0.44 -0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 57.89 1iwa h LYS 177 Cb 1.26 -0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.42 1iwa h LYS 177 CO 0.47 0.04 -0.67 -0.51 -0.57 0.00 0.00 179.45 178.21 1iwa s LEU 178 N -10.58 2.36 0.00 2.94 1.43 -1.26 -4.67 118.68 108.90 1iwa s LEU 178 Ca -0.14 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 1iwa s LEU 178 Cb 0.15 -0.47 0.00 0.00 0.03 0.00 0.00 46.19 45.90 1iwa s LEU 178 CO 0.71 -0.41 0.00 0.61 0.23 0.00 0.00 176.35 177.49 1iwa n GLY 179 N -0.49 2.11 3.77 -3.19 0.00 -1.26 -5.08 105.19 101.04 1iwa n GLY 179 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1iwa n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwa s LEU 180 N 0.00 4.38 1.02 0.99 1.43 -1.26 -4.95 118.68 120.29 1iwa s LEU 180 Ca 0.00 2.24 -0.17 0.00 -1.03 0.00 0.00 54.13 55.17 1iwa s LEU 180 Cb 0.00 -3.84 0.23 0.00 0.03 0.00 0.00 46.19 42.61 1iwa s LEU 180 CO 0.00 -0.34 1.32 -0.94 0.23 0.00 0.00 176.35 176.61 1iwa s SER 181 N -1.08 2.62 -0.00 2.29 1.04 -1.26 -4.59 113.70 112.71 1iwa s SER 181 Ca 0.50 0.23 -0.22 0.00 0.48 0.00 0.00 55.95 56.95 1iwa s SER 181 Cb -0.30 -0.23 -0.20 0.00 0.10 0.00 0.00 66.02 65.40 1iwa s SER 181 CO 0.38 -3.04 1.18 1.23 0.98 0.00 0.00 173.24 173.96 1iwa h GLY 182 N -1.86 0.32 0.54 7.32 0.00 -1.91 -2.25 103.07 105.23 1iwa h GLY 182 Ca -0.44 -0.44 0.04 0.00 0.00 0.00 0.00 47.33 46.48 1iwa h GLY 182 CO 0.33 0.40 -0.13 1.70 0.00 0.00 0.00 176.54 178.84 1iwa h LYS 183 N -0.22 -0.17 -0.14 4.80 1.63 -1.95 -1.65 116.57 118.87 1iwa h LYS 183 Ca -0.02 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.74 1iwa h LYS 183 Cb 0.92 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.58 1iwa h LYS 183 CO 0.06 -0.11 -0.14 -0.91 -3.45 0.00 0.00 179.45 174.90 1iwa h ASN 184 N -0.17 0.21 -0.52 4.20 2.35 -1.95 -2.42 115.58 117.27 1iwa h ASN 184 Ca 0.08 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1iwa h ASN 184 Cb 0.29 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1iwa h ASN 184 CO -0.21 0.38 0.26 0.22 -1.65 0.00 0.00 177.43 176.43 1iwa h TYR 185 N 0.21 0.74 -0.37 1.19 3.20 -0.73 -2.31 116.97 118.90 1iwa h TYR 185 Ca 0.04 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1iwa h TYR 185 Cb 0.38 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1iwa h TYR 185 CO 0.01 0.58 0.08 0.78 -1.64 0.00 0.00 178.16 177.96 1iwa h GLY 186 N 0.70 0.59 0.96 1.82 0.00 -0.85 -1.58 103.07 104.71 1iwa h GLY 186 Ca 0.18 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1iwa h GLY 186 CO -0.02 0.29 0.10 -0.09 0.00 0.00 0.00 176.54 176.82 1iwa h ARG 187 N 0.54 0.23 -0.43 4.80 1.12 -1.11 0.69 114.38 120.22 1iwa h ARG 187 Ca 0.12 -0.02 0.01 0.00 -1.11 0.00 0.00 59.98 58.98 1iwa h ARG 187 Cb 0.23 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.12 1iwa h ARG 187 CO -0.00 0.20 0.28 0.28 -3.11 0.00 0.00 179.97 177.62 1iwa h VAL 188 N 0.19 1.10 -0.53 0.20 2.07 -1.06 -2.02 116.25 116.20 1iwa h VAL 188 Ca 0.06 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.41 1iwa h VAL 188 Cb 0.03 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 1iwa h VAL 188 CO -0.01 0.10 0.31 0.58 0.02 0.00 0.00 177.57 178.58 1iwa h VAL 189 N 0.57 1.04 0.66 2.57 2.07 -0.83 -1.53 116.25 120.81 1iwa h VAL 189 Ca 0.16 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1iwa h VAL 189 Cb -0.06 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1iwa h VAL 189 CO -0.04 0.11 -0.32 0.22 0.02 0.00 0.00 177.57 177.57 1iwa h TYR 190 N 0.62 -0.82 -0.30 1.57 3.20 -0.62 -2.22 116.97 118.41 1iwa h TYR 190 Ca 0.22 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.14 1iwa h TYR 190 Cb 0.04 0.27 -0.08 0.00 1.54 0.00 0.00 36.73 38.50 1iwa h TYR 190 CO -0.07 -0.48 -0.29 0.93 -1.64 0.00 0.00 178.16 176.61 1iwa h GLU 191 N -1.00 -0.26 -0.26 1.82 4.39 -1.27 -0.22 114.58 117.78 1iwa h GLU 191 Ca -0.09 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 1iwa h GLU 191 Cb 0.71 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1iwa h GLU 191 CO 0.15 -0.18 0.09 0.00 -1.16 0.00 0.00 179.01 177.92 1iwa h ALA 192 N 0.72 0.34 -0.42 3.43 0.00 -1.33 -1.24 119.26 120.76 1iwa h ALA 192 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1iwa h ALA 192 Cb 0.51 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1iwa h ALA 192 CO -0.45 -0.05 0.22 -0.07 0.00 0.00 0.00 179.25 178.89 1iwa h LEU 193 N 0.26 0.54 -1.73 0.00 3.38 -1.24 -2.55 115.31 113.96 1iwa h LEU 193 Ca 0.08 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1iwa h LEU 193 Cb 0.20 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1iwa h LEU 193 CO -0.01 0.50 -0.15 0.50 0.09 0.00 0.00 178.44 179.37 1iwa h LYS 194 N 0.54 0.00 0.00 1.13 3.64 -0.92 -2.69 116.57 118.26 1iwa h LYS 194 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1iwa h LYS 194 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1iwa h LYS 194 CO -0.02 0.15 0.00 0.41 -2.27 0.00 0.00 179.45 177.72 1iwa n GLY 195 N -1.05 -1.60 0.00 5.01 0.00 -0.48 -4.90 105.19 102.17 1iwa n GLY 195 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1iwa n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iwa n GLY 196 N 1.16 0.74 3.77 -0.02 0.00 -1.02 -2.38 105.19 107.45 1iwa n GLY 196 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1iwa n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwa s LEU 197 N 0.00 4.27 0.07 0.99 1.43 -1.02 -4.83 118.68 119.59 1iwa s LEU 197 Ca 0.00 2.44 -0.06 0.00 -1.03 0.00 0.00 54.13 55.48 1iwa s LEU 197 Cb 0.00 -3.90 -0.29 0.00 0.03 0.00 0.00 46.19 42.02 1iwa s LEU 197 CO 0.00 -0.62 1.12 0.44 0.23 0.00 0.00 176.35 177.52 1iwa h ASP 198 N 2.89 0.49 -4.65 2.29 3.32 -1.02 -3.41 116.42 116.33 1iwa h ASP 198 Ca -0.49 -0.52 -0.22 0.00 0.02 0.00 0.00 57.03 55.82 1iwa h ASP 198 Cb 1.23 -0.16 -0.15 0.00 0.22 0.00 0.00 39.33 40.48 1iwa h ASP 198 CO 0.63 1.41 -0.69 -0.36 -1.72 0.00 0.00 179.24 178.51 1iwa s PHE 199 N -2.65 0.91 0.04 4.55 0.08 0.12 -3.24 117.98 117.79 1iwa s PHE 199 Ca -0.05 -0.94 -0.01 0.00 0.12 0.00 0.00 56.93 56.05 1iwa s PHE 199 Cb 0.07 -0.53 -0.03 0.00 -0.57 0.00 0.00 43.02 41.96 1iwa s PHE 199 CO 0.89 -0.18 -0.02 0.08 -0.10 0.00 0.00 175.22 175.90 1iwa s VAL 200 N -3.65 0.19 0.12 -0.44 1.01 -1.10 -2.50 120.40 114.02 1iwa s VAL 200 Ca 0.13 -1.54 -0.13 0.00 0.00 0.00 0.00 61.98 60.44 1iwa s VAL 200 Cb 0.06 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.27 1iwa s VAL 200 CO -0.04 -0.85 0.33 -1.59 0.00 0.00 0.00 175.10 172.95 1iwa s LYS 201 N -3.27 1.02 0.53 2.72 -2.85 -0.03 -0.38 119.74 117.48 1iwa s LYS 201 Ca 0.01 -0.84 -0.17 0.00 -1.00 0.00 0.00 55.97 53.97 1iwa s LYS 201 Cb 0.03 0.42 -0.06 0.00 -2.06 0.00 0.00 37.83 36.16 1iwa s LYS 201 CO -0.08 -0.38 1.02 -0.51 0.10 0.00 0.00 175.35 175.51 1iwa s ASP 202 N -2.84 6.25 0.55 0.03 1.01 -1.01 -1.96 116.67 118.70 1iwa s ASP 202 Ca 0.05 1.75 -0.15 0.00 0.71 0.00 0.00 52.55 54.91 1iwa s ASP 202 Cb 0.03 -2.53 -0.06 0.00 1.01 0.00 0.00 42.92 41.37 1iwa s ASP 202 CO -0.10 -0.84 1.01 -0.62 0.21 0.00 0.00 175.17 174.82 1iwa s ASP 203 N -2.67 6.35 0.55 0.27 3.68 -1.26 -4.82 116.67 118.75 1iwa s ASP 203 Ca 0.63 1.60 0.29 0.00 2.13 0.00 0.00 52.55 57.19 1iwa s ASP 203 Cb -0.14 -2.51 1.45 0.00 -1.45 0.00 0.00 42.92 40.28 1iwa s ASP 203 CO 0.30 -0.78 1.94 1.05 0.13 0.00 0.00 175.17 177.81 1iwa h GLU 204 N 0.56 0.00 -0.10 4.34 9.09 -1.95 0.68 114.58 127.20 1iwa h GLU 204 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 1iwa h GLU 204 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1iwa h GLU 204 CO 0.61 0.00 0.00 0.27 0.05 0.00 0.00 179.01 179.94 1iwa n ASN 205 N -4.20 2.03 -4.47 3.06 6.94 -1.26 -4.75 115.26 112.61 1iwa n ASN 205 Ca 0.13 -1.70 -0.43 0.00 -0.02 0.00 0.00 54.58 52.56 1iwa n ASN 205 Cb 0.76 -0.06 -0.04 0.00 -2.36 0.00 0.00 39.78 38.08 1iwa n ASN 205 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1iwa s ILE 206 N -1.89 4.45 0.00 1.53 -1.09 0.23 -4.81 121.20 119.62 1iwa s ILE 206 Ca 0.35 -0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 1iwa s ILE 206 Cb 0.20 -4.57 0.00 0.00 -1.58 0.00 0.00 42.46 36.51 1iwa s ILE 206 CO 0.31 -1.24 0.00 0.59 -1.23 0.00 0.00 174.94 173.37 1iwa n ASN 207 N 7.33 0.00 -3.15 3.58 5.03 -1.26 -4.72 115.26 122.07 1iwa n ASN 207 Ca -0.03 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.46 1iwa n ASN 207 Cb 0.46 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.21 1iwa n ASN 207 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1iwa s SER 208 N 0.71 -1.41 0.45 6.41 0.15 -1.26 -4.08 113.70 114.67 1iwa s SER 208 Ca 0.00 0.57 0.03 0.00 0.70 0.00 0.00 55.95 57.25 1iwa s SER 208 Cb 0.00 2.06 -0.02 0.00 -1.71 0.00 0.00 66.02 66.35 1iwa s SER 208 CO 0.00 -0.26 0.07 -1.10 1.20 0.00 0.00 173.24 173.15 1iwa s GLN 209 N 2.86 2.04 0.32 5.44 1.11 0.07 -4.88 119.66 126.60 1iwa s GLN 209 Ca 0.16 -2.26 0.01 0.00 0.01 0.00 0.00 55.36 53.28 1iwa s GLN 209 Cb -0.13 -1.06 0.56 0.00 -1.01 0.00 0.00 33.01 31.38 1iwa s GLN 209 CO -0.22 -0.40 1.94 -1.35 0.01 0.00 0.00 175.29 175.27 1iwa h PRO 210 N 1.61 0.95 0.00 2.91 0.11 -2.02 -1.45 132.00 134.10 1iwa h PRO 210 Ca -0.40 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1iwa h PRO 210 Cb 1.29 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1iwa h PRO 210 CO 0.66 0.63 0.00 0.27 -0.21 0.00 0.00 178.00 179.35 1iwa h PHE 211 N 0.98 0.00 -0.84 0.65 -5.15 -1.94 -3.43 116.94 107.21 1iwa h PHE 211 Ca 0.34 0.00 0.18 0.00 -0.20 0.00 0.00 57.97 58.29 1iwa h PHE 211 Cb 0.12 0.00 -0.23 0.00 0.22 0.00 0.00 35.95 36.06 1iwa h PHE 211 CO -0.00 0.00 0.14 1.41 -2.00 0.00 0.00 178.31 177.86 1iwa s MET 212 N -3.28 0.30 0.33 6.09 0.00 -0.55 -4.39 119.30 117.80 1iwa s MET 212 Ca 0.06 0.67 -0.14 0.00 0.00 0.00 0.00 55.69 56.27 1iwa s MET 212 Cb 0.10 0.39 -0.09 0.00 0.00 0.00 0.00 34.83 35.24 1iwa s MET 212 CO 0.49 -0.18 0.74 1.03 0.00 0.00 0.00 175.02 177.10 1iwa s ARG 213 N 2.63 3.98 0.22 4.11 1.81 -1.20 -0.76 118.95 129.74 1iwa s ARG 213 Ca 0.00 0.65 -0.09 0.00 -1.72 0.00 0.00 55.73 54.57 1iwa s ARG 213 Cb -0.08 -2.42 0.20 0.00 -0.45 0.00 0.00 34.95 32.20 1iwa s ARG 213 CO -0.16 0.13 1.87 0.11 -0.68 0.00 0.00 175.30 176.56 1iwa h TRP 214 N 2.13 0.91 -1.00 -0.53 5.08 -1.90 -3.16 115.95 117.49 1iwa h TRP 214 Ca -0.48 0.02 0.09 0.00 1.08 0.00 0.00 58.89 59.61 1iwa h TRP 214 Cb 1.18 -0.30 -0.08 0.00 -3.00 0.00 0.00 29.16 26.96 1iwa h TRP 214 CO 0.62 0.54 0.63 0.00 -1.28 0.00 0.00 178.44 178.95 1iwa h ARG 215 N 0.96 1.04 -0.43 0.12 3.08 -1.94 -1.27 114.38 115.95 1iwa h ARG 215 Ca 0.30 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 1iwa h ARG 215 Cb -0.02 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 1iwa h ARG 215 CO -0.10 0.69 0.20 0.93 -1.07 0.00 0.00 179.97 180.62 1iwa h GLU 216 N 1.07 0.62 -0.63 0.04 3.07 -1.97 -1.69 114.58 115.10 1iwa h GLU 216 Ca 0.46 -0.10 0.05 0.00 -0.50 0.00 0.00 59.36 59.28 1iwa h GLU 216 Cb 0.33 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.08 1iwa h GLU 216 CO -0.22 0.54 0.36 -0.09 -1.40 0.00 0.00 179.01 178.20 1iwa h ARG 217 N 0.55 0.65 -0.08 2.33 2.43 -1.36 -1.30 114.38 117.59 1iwa h ARG 217 Ca 0.15 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1iwa h ARG 217 Cb 0.13 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1iwa h ARG 217 CO -0.02 0.43 0.05 1.88 -1.51 0.00 0.00 179.97 180.80 1iwa h TYR 218 N 0.67 0.11 0.41 2.20 -1.99 -0.91 0.97 116.97 118.44 1iwa h TYR 218 Ca 0.28 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.98 1iwa h TYR 218 Cb 0.14 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 38.84 1iwa h TYR 218 CO -0.08 0.12 -0.20 -0.07 -0.00 0.00 0.00 178.16 177.94 1iwa h LEU 219 N 0.06 -0.47 -0.71 3.88 -0.00 -1.01 -1.73 115.31 115.33 1iwa h LEU 219 Ca 0.03 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1iwa h LEU 219 Cb 0.05 0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 40.80 1iwa h LEU 219 CO -0.01 -0.28 0.35 -0.26 -0.00 0.00 0.00 178.44 178.24 1iwa h PHE 220 N -0.62 1.02 -0.37 1.13 -1.00 -1.25 -2.45 116.94 113.39 1iwa h PHE 220 Ca -0.06 -0.05 -0.05 0.00 2.81 0.00 0.00 57.97 60.62 1iwa h PHE 220 Cb 0.46 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 1iwa h PHE 220 CO -0.03 0.75 0.01 1.15 -1.61 0.00 0.00 178.31 178.58 1iwa h THR 221 N 0.99 1.20 -0.02 -1.55 2.02 -0.78 -1.60 112.91 113.18 1iwa h THR 221 Ca 0.25 -0.81 -0.16 0.00 0.77 0.00 0.00 66.41 66.45 1iwa h THR 221 Cb 0.11 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1iwa h THR 221 CO -0.03 0.28 -0.73 0.24 0.37 0.00 0.00 175.52 175.65 1iwa h MET 222 N 0.56 0.11 -0.39 6.66 2.86 -1.03 0.05 114.93 123.75 1iwa h MET 222 Ca 0.12 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 1iwa h MET 222 Cb 0.34 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1iwa h MET 222 CO 0.01 0.79 0.01 1.49 1.06 0.00 0.00 176.91 180.27 1iwa h GLU 223 N 0.07 0.68 -0.56 1.72 4.57 -1.12 -2.18 114.58 117.76 1iwa h GLU 223 Ca -0.02 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 57.92 1iwa h GLU 223 Cb 1.29 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 1iwa h GLU 223 CO 0.10 0.77 0.23 0.00 -1.18 0.00 0.00 179.01 178.94 1iwa h ALA 224 N 0.88 0.73 -0.33 2.92 0.00 -1.10 -2.31 119.26 120.05 1iwa h ALA 224 Ca 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1iwa h ALA 224 Cb 0.46 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1iwa h ALA 224 CO 0.02 0.34 0.18 0.28 0.00 0.00 0.00 179.25 180.07 1iwa h VAL 225 N 0.77 1.14 -0.35 0.00 2.07 -0.84 -2.30 116.25 116.73 1iwa h VAL 225 Ca 0.19 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 1iwa h VAL 225 Cb 0.19 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1iwa h VAL 225 CO -0.02 0.14 -0.18 0.78 0.02 0.00 0.00 177.57 178.31 1iwa h ASN 226 N 0.41 0.64 -0.69 0.57 2.35 -1.33 -1.97 115.58 115.56 1iwa h ASN 226 Ca 0.12 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 1iwa h ASN 226 Cb 0.06 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1iwa h ASN 226 CO -0.02 0.83 0.23 0.11 -1.65 0.00 0.00 177.43 176.93 1iwa h LYS 227 N 0.58 1.09 -0.28 0.81 1.57 -1.29 -1.04 116.57 118.00 1iwa h LYS 227 Ca 0.09 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 1iwa h LYS 227 Cb 0.63 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1iwa h LYS 227 CO 0.04 0.92 -0.28 0.00 -0.57 0.00 0.00 179.45 179.56 1iwa h ALA 228 N 1.20 0.99 -0.17 3.86 0.00 -1.15 -0.13 119.26 123.87 1iwa h ALA 228 Ca 0.23 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1iwa h ALA 228 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1iwa h ALA 228 CO -0.01 0.60 0.02 1.03 0.00 0.00 0.00 179.25 180.89 1iwa h SER 229 N 0.49 0.28 0.42 0.00 0.87 -0.83 -1.38 113.55 113.40 1iwa h SER 229 Ca 0.07 -0.27 -0.05 0.00 -1.23 0.00 0.00 61.79 60.30 1iwa h SER 229 Cb 0.73 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1iwa h SER 229 CO 0.06 0.48 -0.24 0.00 -0.53 0.00 0.00 176.83 176.60 1iwa h ALA 230 N 0.81 1.33 -0.00 6.23 0.00 -1.05 0.20 119.26 126.78 1iwa h ALA 230 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1iwa h ALA 230 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1iwa h ALA 230 CO 0.00 0.30 -0.28 0.00 0.00 0.00 0.00 179.25 179.27 1iwa n ALA 231 N -2.37 3.10 0.00 0.00 0.00 -0.08 -4.37 120.51 116.79 1iwa n ALA 231 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1iwa n ALA 231 Cb 0.33 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1iwa n ALA 231 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iwa n THR 232 N -1.06 0.00 -0.92 0.00 -2.24 -0.55 -5.02 114.28 104.49 1iwa n THR 232 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1iwa n THR 232 Cb 0.33 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1iwa n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iwa n GLY 233 N 1.73 0.48 3.65 3.38 0.00 0.68 -5.04 105.19 110.07 1iwa n GLY 233 Ca 0.00 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 1iwa n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iwa s GLU 234 N -0.98 2.25 -0.22 1.61 2.02 -1.24 -5.08 118.70 117.07 1iwa s GLU 234 Ca 0.00 -1.49 -0.23 0.00 0.02 0.00 0.00 54.97 53.27 1iwa s GLU 234 Cb 0.00 -2.12 -0.01 0.00 0.10 0.00 0.00 34.13 32.10 1iwa s GLU 234 CO 0.00 0.30 0.76 0.08 0.02 0.00 0.00 175.26 176.42 1iwa s VAL 235 N -2.37 4.90 0.40 2.63 1.01 -1.26 -4.48 120.40 121.24 1iwa s VAL 235 Ca 0.33 1.43 0.07 0.00 0.00 0.00 0.00 61.98 63.81 1iwa s VAL 235 Cb -0.05 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 1iwa s VAL 235 CO 0.20 -0.00 0.07 -0.54 0.00 0.00 0.00 175.10 174.82 1iwa s LYS 236 N 2.49 2.06 0.01 2.72 -0.14 -1.26 -5.00 119.74 120.63 1iwa s LYS 236 Ca 0.33 -1.98 -0.28 0.00 -1.36 0.00 0.00 55.97 52.68 1iwa s LYS 236 Cb -0.16 -1.79 0.10 0.00 -1.68 0.00 0.00 37.83 34.30 1iwa s LYS 236 CO 0.09 -0.05 0.91 0.20 -0.76 0.00 0.00 175.35 175.74 1iwa s GLY 237 N -3.78 -0.42 -0.03 -3.33 0.00 -1.20 -4.80 107.32 93.76 1iwa s GLY 237 Ca 0.37 0.89 0.02 0.00 0.00 0.00 0.00 44.72 46.00 1iwa s GLY 237 CO 0.20 0.29 -0.07 -1.58 0.00 0.00 0.00 173.10 171.93 1iwa s HIS 238 N -3.12 0.87 -0.57 1.90 2.46 -1.26 -2.72 115.29 112.86 1iwa s HIS 238 Ca 0.06 -0.23 -0.27 0.00 0.47 0.00 0.00 55.06 55.09 1iwa s HIS 238 Cb -0.01 -0.67 -0.00 0.00 -0.13 0.00 0.00 32.58 31.77 1iwa s HIS 238 CO -0.07 -0.14 1.64 0.71 -2.47 0.00 0.00 174.74 174.41 1iwa s TYR 239 N 0.46 1.96 -0.29 3.88 1.51 0.49 -4.61 117.35 120.75 1iwa s TYR 239 Ca -0.07 0.57 -0.24 0.00 -1.01 0.00 0.00 57.07 56.32 1iwa s TYR 239 Cb -0.11 -4.25 0.00 0.00 -0.11 0.00 0.00 41.96 37.49 1iwa s TYR 239 CO 0.01 -2.26 0.83 -0.51 -1.11 0.00 0.00 175.55 172.51 1iwa s LEU 240 N 7.38 4.07 -0.28 -1.29 1.43 -1.24 -2.41 118.68 126.34 1iwa s LEU 240 Ca 0.61 0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 54.23 1iwa s LEU 240 Cb -0.13 -3.16 0.01 0.00 0.03 0.00 0.00 46.19 42.94 1iwa s LEU 240 CO 0.23 -0.62 1.16 0.21 0.23 0.00 0.00 176.35 177.57 1iwa s ASN 241 N 1.54 6.88 -0.01 2.29 3.04 -1.26 -1.40 114.94 126.02 1iwa s ASN 241 Ca 0.35 1.21 0.20 0.00 0.04 0.00 0.00 52.86 54.66 1iwa s ASN 241 Cb -0.14 -2.54 0.60 0.00 -1.54 0.00 0.00 41.25 37.63 1iwa s ASN 241 CO 0.11 -0.90 1.50 1.33 -3.04 0.00 0.00 177.10 176.11 1iwa n VAL 242 N 5.84 1.06 -1.70 -5.21 0.24 -0.77 -4.86 118.33 112.93 1iwa n VAL 242 Ca 0.13 -1.02 -0.43 0.00 -2.04 0.00 0.00 64.34 60.98 1iwa n VAL 242 Cb 0.47 0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 33.28 1iwa n VAL 242 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1iwa n THR 243 N 1.44 0.22 -4.00 3.34 -1.04 -1.26 -4.46 114.28 108.52 1iwa n THR 243 Ca 0.23 -0.04 -0.10 0.00 -2.04 0.00 0.00 64.05 62.10 1iwa n THR 243 Cb 0.61 -1.99 -0.05 0.00 -1.82 0.00 0.00 70.33 67.08 1iwa n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iwa s ALA 244 N 2.08 -0.15 0.06 2.41 0.00 -1.26 -4.83 121.76 120.07 1iwa s ALA 244 Ca 0.80 -0.94 -0.25 0.00 0.00 0.00 0.00 51.96 51.57 1iwa s ALA 244 Cb -0.53 1.07 -0.17 0.00 0.00 0.00 0.00 23.12 23.50 1iwa s ALA 244 CO 0.36 -0.85 1.61 0.00 0.00 0.00 0.00 175.76 176.88 1iwa h ALA 245 N 2.24 -0.18 -1.85 0.00 0.00 -1.96 -3.46 119.26 114.04 1iwa h ALA 245 Ca -0.26 -0.08 -0.50 0.00 0.00 0.00 0.00 54.91 54.06 1iwa h ALA 245 Cb 1.25 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1iwa h ALA 245 CO 0.36 -0.55 -0.45 0.95 0.00 0.00 0.00 179.25 179.55 1iwa s THR 246 N -5.75 3.51 0.14 0.00 -4.23 -1.26 -5.04 115.64 103.01 1iwa s THR 246 Ca -0.14 -1.39 -0.11 0.00 -1.18 0.00 0.00 61.69 58.87 1iwa s THR 246 Cb 0.05 -3.18 -0.04 0.00 1.34 0.00 0.00 72.50 70.67 1iwa s THR 246 CO 0.64 -0.18 1.48 -0.03 -0.54 0.00 0.00 174.62 176.00 1iwa h MET 247 N 1.27 0.93 -0.63 3.99 4.05 -2.00 -2.66 114.93 119.88 1iwa h MET 247 Ca -0.45 -0.47 0.03 0.00 -0.28 0.00 0.00 59.70 58.53 1iwa h MET 247 Cb 1.25 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 32.02 1iwa h MET 247 CO 0.59 1.13 0.39 0.93 0.23 0.00 0.00 176.91 180.17 1iwa h GLU 248 N 0.75 0.74 -0.56 0.39 3.07 -1.99 -0.84 114.58 116.15 1iwa h GLU 248 Ca 0.07 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.82 1iwa h GLU 248 Cb 0.94 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.66 1iwa h GLU 248 CO 0.09 0.49 0.09 1.49 -1.40 0.00 0.00 179.01 179.77 1iwa h GLU 249 N 0.76 0.88 -0.47 2.33 4.57 -1.96 -1.33 114.58 119.37 1iwa h GLU 249 Ca 0.25 -0.21 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 1iwa h GLU 249 Cb 0.02 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 1iwa h GLU 249 CO -0.10 0.82 -0.06 0.52 -1.18 0.00 0.00 179.01 179.01 1iwa h MET 250 N 0.84 0.81 -0.41 1.92 2.86 -1.00 -2.38 114.93 117.56 1iwa h MET 250 Ca 0.18 -0.25 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 1iwa h MET 250 Cb 0.36 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1iwa h MET 250 CO 0.01 0.85 -0.13 1.88 1.06 0.00 0.00 176.91 180.58 1iwa h TYR 251 N 0.74 0.93 -0.88 -0.22 0.05 -0.81 -1.57 116.97 115.22 1iwa h TYR 251 Ca 0.13 -0.21 0.07 0.00 0.05 0.00 0.00 58.73 58.78 1iwa h TYR 251 Cb 0.53 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 37.99 1iwa h TYR 251 CO 0.03 0.96 0.57 0.00 -1.05 0.00 0.00 178.16 178.67 1iwa h ALA 252 N 0.84 1.57 0.16 3.88 0.00 -0.98 0.39 119.26 125.12 1iwa h ALA 252 Ca 0.10 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.70 1iwa h ALA 252 Cb 0.67 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1iwa h ALA 252 CO 0.05 0.28 -1.34 0.00 0.00 0.00 0.00 179.25 178.23 1iwa h ARG 253 N 0.95 0.33 -0.44 0.00 3.08 -1.32 -2.74 114.38 114.24 1iwa h ARG 253 Ca 0.39 -0.56 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 1iwa h ARG 253 Cb 0.27 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1iwa h ARG 253 CO -0.15 1.26 0.02 0.00 -1.07 0.00 0.00 179.97 180.03 1iwa h ALA 254 N 0.47 0.59 -0.65 0.04 0.00 -0.72 -1.92 119.26 117.07 1iwa h ALA 254 Ca -0.18 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1iwa h ALA 254 Cb 2.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 1iwa h ALA 254 CO 0.21 0.36 0.25 -0.91 0.00 0.00 0.00 179.25 179.16 1iwa h ASN 255 N 0.61 0.89 -0.47 0.00 -0.26 -0.31 -0.42 115.58 115.61 1iwa h ASN 255 Ca 0.13 -0.13 -0.07 0.00 -0.56 0.00 0.00 56.30 55.67 1iwa h ASN 255 Cb 0.46 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.47 1iwa h ASN 255 CO 0.02 0.80 0.04 0.15 -1.06 0.00 0.00 177.43 177.38 1iwa h PHE 256 N 0.95 0.87 -0.74 1.19 3.57 -1.28 0.68 116.94 122.18 1iwa h PHE 256 Ca 0.22 -0.14 0.07 0.00 3.53 0.00 0.00 57.97 61.66 1iwa h PHE 256 Cb 0.20 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 38.64 1iwa h PHE 256 CO 0.02 0.82 0.42 0.00 -2.23 0.00 0.00 178.31 177.33 1iwa h ALA 257 N 0.94 1.02 -0.45 2.41 0.00 -0.79 0.22 119.26 122.60 1iwa h ALA 257 Ca 0.14 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1iwa h ALA 257 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1iwa h ALA 257 CO 0.02 0.09 -0.07 -0.22 0.00 0.00 0.00 179.25 179.07 1iwa h LYS 258 N 0.75 0.85 -0.77 0.00 3.64 -0.51 -0.99 116.57 119.54 1iwa h LYS 258 Ca 0.34 -0.30 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1iwa h LYS 258 Cb 0.25 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1iwa h LYS 258 CO -0.21 0.93 0.50 0.93 -2.27 0.00 0.00 179.45 179.33 1iwa h GLU 259 N 0.69 0.97 -0.00 1.90 5.08 0.23 -2.17 114.58 121.28 1iwa h GLU 259 Ca 0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1iwa h GLU 259 Cb 0.59 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1iwa h GLU 259 CO 0.04 0.64 -0.01 1.28 -1.00 0.00 0.00 179.01 179.96 1iwa n LEU 260 N -4.58 0.08 0.00 1.33 4.77 0.57 -4.92 117.00 114.25 1iwa n LEU 260 Ca 0.08 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1iwa n LEU 260 Cb 0.05 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1iwa n LEU 260 CO 0.35 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1iwa n GLY 261 N 1.09 0.64 3.75 -0.72 0.00 -0.82 -5.04 105.19 104.10 1iwa n GLY 261 Ca 0.21 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1iwa n GLY 261 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iwa n SER 262 N 0.56 2.67 -0.01 1.61 2.88 -0.40 -4.90 113.62 116.03 1iwa n SER 262 Ca 0.00 0.96 0.11 0.00 -1.33 0.00 0.00 58.87 58.61 1iwa n SER 262 Cb 0.00 -1.58 0.05 0.00 -0.75 0.00 0.00 64.21 61.93 1iwa n SER 262 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1iwa n VAL 263 N -1.16 0.00 -3.66 2.46 3.14 -1.26 -4.77 118.33 113.08 1iwa n VAL 263 Ca 0.11 -0.01 -0.13 0.00 -2.96 0.00 0.00 64.34 61.36 1iwa n VAL 263 Cb 0.45 0.66 -0.06 0.00 -1.06 0.00 0.00 33.84 33.83 1iwa n VAL 263 CO 0.00 0.00 0.00 -0.51 -6.46 0.00 0.00 176.83 169.86 1iwa s ILE 264 N -2.98 0.05 0.21 1.55 2.07 -1.26 -2.14 121.20 118.70 1iwa s ILE 264 Ca 0.10 -0.42 -0.04 0.00 -1.41 0.00 0.00 60.65 58.87 1iwa s ILE 264 Cb 0.17 -0.94 -0.03 0.00 0.13 0.00 0.00 42.46 41.79 1iwa s ILE 264 CO 0.78 -0.23 0.22 0.27 -1.91 0.00 0.00 174.94 174.08 1iwa s ILE 265 N -2.38 0.00 0.06 2.00 -4.36 -0.53 -3.60 121.20 112.39 1iwa s ILE 265 Ca -0.06 -1.84 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 1iwa s ILE 265 Cb -0.01 -2.42 -0.04 0.00 1.25 0.00 0.00 42.46 41.24 1iwa s ILE 265 CO -0.02 -0.00 -0.04 0.00 0.24 0.00 0.00 174.94 175.12 1iwa s MET 266 N -4.12 0.62 0.06 0.37 0.23 -0.50 -1.06 119.30 114.91 1iwa s MET 266 Ca 0.35 -1.13 -0.01 0.00 -1.03 0.00 0.00 55.69 53.87 1iwa s MET 266 Cb 0.05 0.04 -0.04 0.00 -1.53 0.00 0.00 34.83 33.35 1iwa s MET 266 CO 0.11 -0.06 -0.02 0.96 -2.03 0.00 0.00 175.02 173.98 1iwa s ILE 267 N -3.29 0.23 -0.12 3.16 -4.36 -0.16 -1.84 121.20 114.83 1iwa s ILE 267 Ca 0.04 -1.83 -0.04 0.00 -0.26 0.00 0.00 60.65 58.56 1iwa s ILE 267 Cb 0.03 -1.58 -0.03 0.00 1.25 0.00 0.00 42.46 42.12 1iwa s ILE 267 CO -0.06 -0.94 0.02 -1.81 0.24 0.00 0.00 174.94 172.39 1iwa s ASP 268 N -2.94 5.34 0.60 4.36 1.01 -1.26 -1.31 116.67 122.47 1iwa s ASP 268 Ca 0.09 0.12 0.28 0.00 0.71 0.00 0.00 52.55 53.75 1iwa s ASP 268 Cb 0.08 -1.67 1.38 0.00 1.01 0.00 0.00 42.92 43.72 1iwa s ASP 268 CO -0.08 0.31 1.78 0.25 0.21 0.00 0.00 175.17 177.64 1iwa h LEU 270 N 5.69 0.00 0.00 1.23 5.85 -0.93 0.14 115.31 127.29 1iwa h LEU 270 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1iwa h LEU 270 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1iwa h LEU 270 CO 0.59 0.00 0.00 0.55 -0.34 0.00 0.00 178.44 179.24 1iwa n VAL 271 N -3.54 1.13 0.20 1.05 3.14 -1.23 -2.00 118.33 117.07 1iwa n VAL 271 Ca 0.10 0.28 0.09 0.00 -2.96 0.00 0.00 64.34 61.85 1iwa n VAL 271 Cb 0.80 -1.13 0.14 0.00 -1.06 0.00 0.00 33.84 32.60 1iwa n VAL 271 CO 0.00 0.00 0.00 0.16 -6.46 0.00 0.00 176.83 170.53 1iwa h ILE 272 N 0.00 0.27 0.00 1.55 3.07 -1.33 -3.49 117.51 117.58 1iwa h ILE 272 Ca 0.00 -1.36 0.00 0.00 1.55 0.00 0.00 64.86 65.05 1iwa h ILE 272 Cb 0.13 2.12 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 1iwa h ILE 272 CO 0.00 0.15 0.00 0.61 -1.05 0.00 0.00 178.15 177.86 1iwa n GLY 273 N 1.10 2.47 0.22 0.16 0.00 -0.85 -4.54 105.19 103.76 1iwa n GLY 273 Ca 0.03 -1.77 -0.00 0.00 0.00 0.00 0.00 46.02 44.27 1iwa n GLY 273 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1iwa h TYR 274 N 0.00 0.06 -0.69 1.61 0.05 -1.96 0.17 116.97 116.22 1iwa h TYR 274 Ca 0.00 0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 1iwa h TYR 274 Cb 0.00 0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 1iwa h TYR 274 CO 0.00 -0.09 0.25 1.15 -1.05 0.00 0.00 178.16 178.42 1iwa h THR 275 N 0.17 1.25 -0.52 -2.88 2.02 -1.99 0.17 112.91 111.12 1iwa h THR 275 Ca 0.29 -0.82 -0.12 0.00 0.77 0.00 0.00 66.41 66.54 1iwa h THR 275 Cb 0.45 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1iwa h THR 275 CO -0.43 0.32 -0.13 0.00 0.37 0.00 0.00 175.52 175.64 1iwa h ALA 276 N 1.11 0.77 0.04 6.16 0.00 -1.63 -1.37 119.26 124.35 1iwa h ALA 276 Ca 0.23 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1iwa h ALA 276 Cb 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1iwa h ALA 276 CO -0.01 0.67 -0.02 0.82 0.00 0.00 0.00 179.25 180.70 1iwa h ILE 277 N 0.89 1.02 -0.79 0.00 2.04 -0.18 -1.11 117.51 119.37 1iwa h ILE 277 Ca 0.13 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1iwa h ILE 277 Cb 0.70 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1iwa h ILE 277 CO 0.05 0.05 0.52 1.56 0.00 0.00 0.00 178.15 180.33 1iwa h GLN 278 N -0.14 0.96 -0.65 2.37 4.20 -0.59 0.44 115.11 121.70 1iwa h GLN 278 Ca -0.01 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 1iwa h GLN 278 Cb 0.13 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1iwa h GLN 278 CO 0.01 0.63 0.17 1.15 -0.67 0.00 0.00 178.83 180.13 1iwa h THR 279 N 0.99 1.25 -0.01 -0.54 2.02 -0.92 -2.66 112.91 113.04 1iwa h THR 279 Ca 0.31 -0.91 -0.15 0.00 0.77 0.00 0.00 66.41 66.43 1iwa h THR 279 Cb 0.02 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1iwa h THR 279 CO -0.09 0.35 -0.69 0.24 0.37 0.00 0.00 175.52 175.70 1iwa h MET 280 N 0.95 0.06 -0.67 6.66 2.86 -0.40 -2.76 114.93 121.63 1iwa h MET 280 Ca 0.21 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 1iwa h MET 280 Cb 0.34 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1iwa h MET 280 CO -0.00 0.72 0.16 0.00 1.06 0.00 0.00 176.91 178.85 1iwa h ALA 281 N 1.27 1.02 -0.36 6.32 0.00 -0.74 0.68 119.26 127.45 1iwa h ALA 281 Ca -0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1iwa h ALA 281 Cb 1.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1iwa h ALA 281 CO 0.09 0.64 -0.11 -0.22 0.00 0.00 0.00 179.25 179.65 1iwa h LYS 282 N 1.01 0.71 -0.52 0.00 3.64 -1.42 -1.94 116.57 118.04 1iwa h LYS 282 Ca 0.21 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1iwa h LYS 282 Cb 0.36 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1iwa h LYS 282 CO 0.00 0.88 0.34 2.35 -2.27 0.00 0.00 179.45 180.75 1iwa h TRP 283 N 0.50 0.67 -0.51 1.91 7.01 -1.17 0.43 115.95 124.79 1iwa h TRP 283 Ca 0.09 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.05 1iwa h TRP 283 Cb 0.63 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 1iwa h TRP 283 CO 0.05 0.43 0.12 0.00 -2.79 0.00 0.00 178.44 176.26 1iwa h ALA 284 N 1.18 1.25 -0.39 2.65 0.00 -0.78 0.11 119.26 123.28 1iwa h ALA 284 Ca 0.19 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1iwa h ALA 284 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1iwa h ALA 284 CO -0.04 0.52 -0.21 -0.09 0.00 0.00 0.00 179.25 179.42 1iwa h ARG 285 N 0.75 0.84 0.00 0.00 9.65 -0.80 -1.99 114.38 122.84 1iwa h ARG 285 Ca 0.17 -0.38 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 1iwa h ARG 285 Cb 0.28 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1iwa h ARG 285 CO -0.00 1.01 0.00 -0.25 2.80 0.00 0.00 179.97 183.53 1iwa n ASP 286 N -4.22 0.00 -0.14 -3.80 10.43 0.09 -3.77 116.55 115.14 1iwa n ASP 286 Ca -0.02 -0.16 0.02 0.00 2.57 0.00 0.00 54.79 57.21 1iwa n ASP 286 Cb 0.44 -0.27 0.03 0.00 1.84 0.00 0.00 41.12 43.16 1iwa n ASP 286 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1iwa n ASN 287 N -1.27 1.06 -3.76 -2.24 3.02 -0.01 -5.03 115.26 107.02 1iwa n ASN 287 Ca 0.14 -2.00 -0.23 0.00 -0.03 0.00 0.00 54.58 52.46 1iwa n ASN 287 Cb 0.22 -0.15 0.02 0.00 -0.61 0.00 0.00 39.78 39.26 1iwa n ASN 287 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1iwa n ASP 288 N -0.47 -1.46 -4.38 6.41 9.92 -0.81 -5.00 116.55 120.76 1iwa n ASP 288 Ca 0.04 -0.84 -0.31 0.00 -0.53 0.00 0.00 54.79 53.15 1iwa n ASP 288 Cb 0.52 -3.89 -0.14 0.00 -0.64 0.00 0.00 41.12 36.97 1iwa n ASP 288 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1iwa s MET 289 N -6.14 2.06 -0.07 -1.24 1.75 -0.83 -4.96 119.30 109.87 1iwa s MET 289 Ca 0.08 -0.96 -0.25 0.00 -1.25 0.00 0.00 55.69 53.30 1iwa s MET 289 Cb -0.04 -2.11 -0.03 0.00 2.84 0.00 0.00 34.83 35.49 1iwa s MET 289 CO 0.83 0.55 0.79 0.42 -0.65 0.00 0.00 175.02 176.95 1iwa s ILE 290 N -0.77 4.97 -0.40 10.11 1.01 -0.91 -4.65 121.20 130.56 1iwa s ILE 290 Ca 0.12 1.62 -0.08 0.00 0.00 0.00 0.00 60.65 62.30 1iwa s ILE 290 Cb -0.10 -4.12 0.07 0.00 0.01 0.00 0.00 42.46 38.32 1iwa s ILE 290 CO 0.02 0.18 0.22 -0.22 0.00 0.00 0.00 174.94 175.14 1iwa s LEU 291 N 1.14 5.01 -0.09 2.97 2.96 -1.26 -1.45 118.68 127.96 1iwa s LEU 291 Ca 0.41 -1.50 -0.21 0.00 -0.22 0.00 0.00 54.13 52.61 1iwa s LEU 291 Cb -0.18 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1iwa s LEU 291 CO 0.19 -0.50 0.60 -2.28 -1.32 0.00 0.00 176.35 173.04 1iwa s HIS 292 N 1.39 3.55 -0.20 5.38 5.65 -0.22 -0.03 115.29 130.81 1iwa s HIS 292 Ca 0.03 1.09 -0.05 0.00 0.25 0.00 0.00 55.06 56.37 1iwa s HIS 292 Cb -0.22 -2.68 -0.02 0.00 -1.18 0.00 0.00 32.58 28.47 1iwa s HIS 292 CO 0.01 0.13 -0.01 -1.17 -0.65 0.00 0.00 174.74 173.06 1iwa s LEU 293 N 0.68 3.20 -0.27 8.88 2.96 0.91 -0.99 118.68 134.06 1iwa s LEU 293 Ca 0.32 -0.23 -0.15 0.00 -0.22 0.00 0.00 54.13 53.85 1iwa s LEU 293 Cb -0.17 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1iwa s LEU 293 CO 0.15 0.05 0.36 -2.28 -1.32 0.00 0.00 176.35 173.31 1iwa s HIS 294 N 1.07 3.25 -0.41 5.38 5.65 -0.43 -3.24 115.29 126.57 1iwa s HIS 294 Ca 0.02 0.40 0.00 0.00 0.25 0.00 0.00 55.06 55.73 1iwa s HIS 294 Cb -0.14 -2.55 0.00 0.00 -1.18 0.00 0.00 32.58 28.70 1iwa s HIS 294 CO 0.01 -0.21 0.18 2.89 -0.65 0.00 0.00 174.74 176.97 1iwa n ARG 295 N 5.26 0.23 -1.72 2.88 1.85 -1.26 -0.39 116.66 123.51 1iwa n ARG 295 Ca -0.09 0.00 -0.65 0.00 -1.00 0.00 0.00 57.85 56.11 1iwa n ARG 295 Cb 0.51 -1.27 -0.09 0.00 -1.05 0.00 0.00 32.46 30.55 1iwa n ARG 295 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1iwa n ALA 296 N 0.68 -1.26 0.00 2.89 0.00 -1.26 -0.85 120.51 120.71 1iwa n ALA 296 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1iwa n ALA 296 Cb 0.09 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1iwa n ALA 296 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iwa n GLY 297 N 3.86 3.10 0.33 0.00 0.00 -1.26 -3.48 105.19 107.73 1iwa n GLY 297 Ca 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.27 1iwa n GLY 297 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1iwa h ASN 298 N 0.00 -1.08 0.00 1.61 -1.24 -1.39 0.09 115.58 113.57 1iwa h ASN 298 Ca 0.00 0.23 0.00 0.00 0.71 0.00 0.00 56.30 57.24 1iwa h ASN 298 Cb 0.00 0.56 0.00 0.00 0.73 0.00 0.00 38.32 39.61 1iwa h ASN 298 CO 0.00 -0.29 0.00 -1.20 -1.29 0.00 0.00 177.43 174.65 1iwa n SER 299 N -5.45 0.00 0.08 1.15 7.64 -1.26 -1.73 113.62 114.05 1iwa n SER 299 Ca 0.06 0.20 0.11 0.00 1.01 0.00 0.00 58.87 60.24 1iwa n SER 299 Cb 0.36 -0.20 0.44 0.00 -1.01 0.00 0.00 64.21 63.80 1iwa n SER 299 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1iwa n THR 300 N -1.19 0.83 -1.28 0.44 5.66 0.02 -3.49 114.28 115.26 1iwa n THR 300 Ca 0.00 0.19 0.00 0.00 -3.05 0.00 0.00 64.05 61.19 1iwa n THR 300 Cb 0.00 -1.05 0.00 0.00 -1.55 0.00 0.00 70.33 67.74 1iwa n THR 300 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1iwa n TYR 301 N -1.99 0.00 0.52 1.09 0.18 -0.71 -4.88 117.16 111.37 1iwa n TYR 301 Ca 0.03 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.88 1iwa n TYR 301 Cb 0.23 0.02 0.07 0.00 -0.38 0.00 0.00 39.34 39.27 1iwa n TYR 301 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1iwa n SER 302 N 0.00 2.21 -0.06 9.48 3.41 -0.97 -1.41 113.62 126.28 1iwa n SER 302 Ca 0.00 -1.60 -0.05 0.00 -0.26 0.00 0.00 58.87 56.96 1iwa n SER 302 Cb 0.23 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 1iwa n SER 302 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1iwa h ARG 303 N 2.68 0.00 -6.93 4.33 9.65 -1.83 -3.43 114.38 118.85 1iwa h ARG 303 Ca 0.00 0.00 -0.48 0.00 -1.10 0.00 0.00 59.98 58.40 1iwa h ARG 303 Cb 0.59 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.18 1iwa h ARG 303 CO 0.00 0.33 0.42 -0.65 2.80 0.00 0.00 179.97 182.86 1iwa s GLN 304 N -1.78 4.28 0.30 0.20 -1.52 -1.26 -4.08 119.66 115.81 1iwa s GLN 304 Ca -0.06 1.55 0.24 0.00 -1.95 0.00 0.00 55.36 55.13 1iwa s GLN 304 Cb -0.01 -2.68 0.44 0.00 -0.22 0.00 0.00 33.01 30.54 1iwa s GLN 304 CO 0.23 -0.04 1.55 -0.22 -0.25 0.00 0.00 175.29 176.55 1iwa h LYS 305 N 2.79 0.00 0.00 2.91 3.64 -1.91 -3.34 116.57 120.65 1iwa h LYS 305 Ca -0.48 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.73 1iwa h LYS 305 Cb 1.21 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 1iwa h LYS 305 CO 0.63 0.00 -1.50 0.27 -2.27 0.00 0.00 179.45 176.58 1iwa n ASN 306 N -2.67 0.77 -3.90 4.20 6.94 -1.26 -4.94 115.26 114.39 1iwa n ASN 306 Ca 0.04 0.34 -0.10 0.00 -0.02 0.00 0.00 54.58 54.83 1iwa n ASN 306 Cb 0.49 0.29 -0.10 0.00 -2.36 0.00 0.00 39.78 38.11 1iwa n ASN 306 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1iwa s HIS 307 N -2.92 0.12 0.00 -2.53 5.04 -1.26 -3.35 115.29 110.40 1iwa s HIS 307 Ca -0.04 -0.32 0.00 0.00 -1.54 0.00 0.00 55.06 53.16 1iwa s HIS 307 Cb 0.09 -0.10 0.00 0.00 0.04 0.00 0.00 32.58 32.61 1iwa s HIS 307 CO 0.82 -0.32 0.00 0.41 -2.34 0.00 0.00 174.74 173.31 1iwa n GLY 308 N 1.15 0.17 3.00 1.59 0.00 -0.04 -4.52 105.19 106.53 1iwa n GLY 308 Ca -0.21 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 43.68 1iwa n GLY 308 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iwa s MET 309 N 0.00 1.17 0.46 1.61 -1.94 -0.50 -0.44 119.30 119.66 1iwa s MET 309 Ca 0.00 -0.32 -0.22 0.00 -1.71 0.00 0.00 55.69 53.44 1iwa s MET 309 Cb 0.00 -1.05 -0.08 0.00 2.01 0.00 0.00 34.83 35.71 1iwa s MET 309 CO 0.00 0.07 1.10 1.21 -0.01 0.00 0.00 175.02 177.39 1iwa s ASN 310 N 0.41 6.30 0.47 3.03 3.84 -0.51 -3.80 114.94 124.67 1iwa s ASN 310 Ca -0.07 2.12 0.17 0.00 0.21 0.00 0.00 52.86 55.29 1iwa s ASN 310 Cb -0.11 -2.58 1.15 0.00 -0.55 0.00 0.00 41.25 39.15 1iwa s ASN 310 CO 0.01 -0.82 2.01 0.15 -2.79 0.00 0.00 177.10 175.66 1iwa h PHE 311 N 1.91 0.27 0.00 0.43 3.57 -1.91 -1.93 116.94 119.29 1iwa h PHE 311 Ca -0.49 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.00 1iwa h PHE 311 Cb 1.23 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 1iwa h PHE 311 CO 0.55 0.13 -0.07 0.07 -2.23 0.00 0.00 178.31 176.76 1iwa h ARG 312 N 0.26 0.00 -0.39 1.11 0.11 -1.92 0.22 114.38 113.77 1iwa h ARG 312 Ca 0.23 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.16 1iwa h ARG 312 Cb 0.58 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.66 1iwa h ARG 312 CO -0.05 0.07 -0.38 0.28 0.10 0.00 0.00 179.97 180.00 1iwa h VAL 313 N 0.00 1.27 -0.64 0.08 2.07 -1.60 -1.78 116.25 115.65 1iwa h VAL 313 Ca -0.00 -1.55 -0.07 0.00 0.82 0.00 0.00 66.70 65.90 1iwa h VAL 313 Cb 0.18 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1iwa h VAL 313 CO 0.01 0.52 0.14 0.40 0.02 0.00 0.00 177.57 178.66 1iwa h ILE 314 N 0.76 1.26 -0.85 4.57 1.08 -0.89 -1.61 117.51 121.84 1iwa h ILE 314 Ca 0.06 -0.97 0.06 0.00 -0.39 0.00 0.00 64.86 63.62 1iwa h ILE 314 Cb 0.97 0.65 -0.06 0.00 -3.07 0.00 0.00 36.82 35.31 1iwa h ILE 314 CO 0.09 0.36 0.53 0.00 -0.69 0.00 0.00 178.15 178.44 1iwa h LYS 316 N 0.97 0.71 -0.40 0.00 1.57 -0.87 -1.23 116.57 117.32 1iwa h LYS 316 Ca 0.36 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 1iwa h LYS 316 Cb 0.14 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1iwa h LYS 316 CO -0.16 0.86 -0.12 -1.49 -0.57 0.00 0.00 179.45 177.96 1iwa h TRP 317 N 0.51 0.79 0.00 -1.35 6.55 -0.80 -2.03 115.95 119.62 1iwa h TRP 317 Ca 0.09 -0.14 -0.09 0.00 0.95 0.00 0.00 58.89 59.70 1iwa h TRP 317 Cb 0.60 -0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 28.68 1iwa h TRP 317 CO 0.05 0.81 -0.44 0.52 -1.05 0.00 0.00 178.44 178.33 1iwa h MET 318 N 0.65 0.00 -0.10 0.49 2.86 -0.82 0.21 114.93 118.22 1iwa h MET 318 Ca 0.11 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.59 1iwa h MET 318 Cb 0.59 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.25 1iwa h MET 318 CO 0.04 0.44 -0.57 -0.09 1.06 0.00 0.00 176.91 177.79 1iwa h ARG 319 N 0.00 0.56 -0.40 1.72 2.43 -1.09 -2.67 114.38 114.93 1iwa h ARG 319 Ca -0.00 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1iwa h ARG 319 Cb 1.28 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.91 1iwa h ARG 319 CO 0.06 1.10 0.26 0.52 -1.51 0.00 0.00 179.97 180.39 1iwa h MET 320 N 0.18 0.54 -0.88 0.20 2.86 -1.31 -2.83 114.93 113.69 1iwa h MET 320 Ca -0.04 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.66 1iwa h MET 320 Cb 1.22 -0.12 -0.08 0.00 0.06 0.00 0.00 31.60 32.68 1iwa h MET 320 CO 0.12 0.38 0.52 0.00 1.06 0.00 0.00 176.91 178.98 1iwa h ALA 321 N 1.13 1.28 0.00 6.32 0.00 -0.90 -2.58 119.26 124.52 1iwa h ALA 321 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1iwa h ALA 321 Cb -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1iwa h ALA 321 CO -0.03 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.76 1iwa n GLY 322 N -1.33 1.01 3.76 0.00 0.00 -1.02 -4.57 105.19 103.04 1iwa n GLY 322 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1iwa n GLY 322 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwa s VAL 323 N -1.68 2.70 -0.15 1.61 1.01 -1.11 -0.59 120.40 122.20 1iwa s VAL 323 Ca 0.00 0.47 0.12 0.00 0.00 0.00 0.00 61.98 62.57 1iwa s VAL 323 Cb 0.00 -3.21 -0.23 0.00 0.00 0.00 0.00 36.38 32.94 1iwa s VAL 323 CO 0.00 -0.06 0.24 0.47 0.00 0.00 0.00 175.10 175.75 1iwa n ASP 324 N -1.24 0.71 -4.16 3.32 8.00 0.96 -4.35 116.55 119.79 1iwa n ASP 324 Ca 0.12 0.13 -0.18 0.00 0.71 0.00 0.00 54.79 55.57 1iwa n ASP 324 Cb 0.49 0.33 -0.12 0.00 -0.02 0.00 0.00 41.12 41.80 1iwa n ASP 324 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1iwa s HIS 325 N -2.53 1.16 -0.20 1.24 3.76 -0.90 -0.21 115.29 117.61 1iwa s HIS 325 Ca -0.13 -0.47 -0.15 0.00 -0.15 0.00 0.00 55.06 54.17 1iwa s HIS 325 Cb 0.07 -0.66 0.06 0.00 1.11 0.00 0.00 32.58 33.16 1iwa s HIS 325 CO 0.79 0.04 0.51 -1.50 -0.85 0.00 0.00 174.74 173.73 1iwa s ILE 326 N -1.30 -0.01 0.15 0.60 2.07 -0.98 -0.06 121.20 121.66 1iwa s ILE 326 Ca -0.03 0.03 -0.31 0.00 -1.41 0.00 0.00 60.65 58.93 1iwa s ILE 326 Cb -0.10 -0.72 -0.10 0.00 0.13 0.00 0.00 42.46 41.67 1iwa s ILE 326 CO 0.02 0.01 1.61 -1.00 -1.91 0.00 0.00 174.94 173.67 1iwa s HIS 327 N 0.83 2.88 -0.01 3.50 3.76 -1.20 -0.35 115.29 124.70 1iwa s HIS 327 Ca -0.05 0.51 0.02 0.00 -0.15 0.00 0.00 55.06 55.40 1iwa s HIS 327 Cb -0.05 -3.97 0.03 0.00 1.11 0.00 0.00 32.58 29.70 1iwa s HIS 327 CO -0.07 -3.66 0.83 0.00 -0.85 0.00 0.00 174.74 171.00 1iwa n ALA 328 N 4.38 1.65 0.00 -1.40 0.00 -0.06 -4.77 120.51 120.31 1iwa n ALA 328 Ca 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1iwa n ALA 328 Cb 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1iwa n ALA 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iwa n GLY 329 N -0.37 -1.45 3.47 0.00 0.00 -1.17 -4.89 105.19 100.78 1iwa n GLY 329 Ca 0.02 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 1iwa n GLY 329 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iwa s THR 330 N -3.38 3.79 0.13 2.61 -4.23 -1.26 -4.45 115.64 108.85 1iwa s THR 330 Ca 0.00 -0.39 -0.13 0.00 -1.18 0.00 0.00 61.69 59.99 1iwa s THR 330 Cb 0.00 -2.66 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 1iwa s THR 330 CO 0.00 0.49 1.52 0.58 -0.54 0.00 0.00 174.62 176.67 1iwa h VAL 331 N 5.22 1.28 -0.46 2.29 2.07 -1.91 -3.08 116.25 121.65 1iwa h VAL 331 Ca -0.31 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 65.93 1iwa h VAL 331 Cb 1.19 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1iwa h VAL 331 CO 0.62 0.43 0.00 1.33 0.02 0.00 0.00 177.57 179.97 1iwa n VAL 332 N -4.26 1.42 -0.84 2.57 0.24 -1.26 -4.69 118.33 111.51 1iwa n VAL 332 Ca -0.01 -0.86 0.00 0.00 -2.04 0.00 0.00 64.34 61.43 1iwa n VAL 332 Cb 0.40 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 1iwa n VAL 332 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iwa n GLY 333 N 0.82 -0.44 0.25 7.63 0.00 -1.17 -4.52 105.19 107.77 1iwa n GLY 333 Ca 0.19 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.62 1iwa n GLY 333 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1iwa n LYS 334 N -0.50 0.93 -4.13 1.61 2.85 -0.27 -4.69 118.16 113.97 1iwa n LYS 334 Ca 0.00 -0.50 -0.26 0.00 -1.05 0.00 0.00 58.31 56.50 1iwa n LYS 334 Cb 0.00 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 32.83 1iwa n LYS 334 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1iwa s LEU 335 N -2.41 3.63 0.26 -5.58 2.01 -1.26 -5.03 118.68 110.29 1iwa s LEU 335 Ca 0.28 -0.25 -0.28 0.00 0.01 0.00 0.00 54.13 53.89 1iwa s LEU 335 Cb 0.20 -2.24 -0.15 0.00 0.01 0.00 0.00 46.19 44.01 1iwa s LEU 335 CO 0.48 0.06 0.89 1.21 1.01 0.00 0.00 176.35 180.00 1iwa n GLU 336 N -0.38 0.98 0.00 1.70 4.07 -1.26 -4.85 120.64 120.89 1iwa n GLU 336 Ca -0.09 0.34 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 1iwa n GLU 336 Cb 0.55 -1.63 0.00 0.00 -0.06 0.00 0.00 31.44 30.31 1iwa n GLU 336 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1iwa n GLY 337 N 1.48 -1.77 3.71 8.31 0.00 -1.26 -4.83 105.19 110.83 1iwa n GLY 337 Ca 0.12 1.02 -0.42 0.00 0.00 0.00 0.00 46.02 46.74 1iwa n GLY 337 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iwa s ASP 338 N 0.00 7.04 0.28 1.61 2.15 -1.26 -4.65 116.67 121.83 1iwa s ASP 338 Ca 0.00 2.06 0.01 0.00 0.43 0.00 0.00 52.55 55.06 1iwa s ASP 338 Cb 0.00 -2.58 0.62 0.00 -0.30 0.00 0.00 42.92 40.66 1iwa s ASP 338 CO 0.00 -0.50 1.74 1.55 -0.17 0.00 0.00 175.17 177.80 1iwa h PRO 339 N 6.81 0.56 -0.06 4.34 0.13 -1.96 -0.08 132.00 141.73 1iwa h PRO 339 Ca -0.42 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.54 1iwa h PRO 339 Cb 1.21 -0.13 0.01 0.00 0.13 0.00 0.00 31.00 32.23 1iwa h PRO 339 CO 0.82 0.37 -0.52 0.82 -0.23 0.00 0.00 178.00 179.26 1iwa h ILE 340 N 0.58 1.39 -0.57 -3.56 5.03 -1.92 -2.03 117.51 116.42 1iwa h ILE 340 Ca 0.51 -1.91 -0.03 0.00 -0.12 0.00 0.00 64.86 63.31 1iwa h ILE 340 Cb 0.80 2.35 -0.03 0.00 -3.03 0.00 0.00 36.82 36.91 1iwa h ILE 340 CO -0.41 0.56 0.23 0.40 -0.68 0.00 0.00 178.15 178.25 1iwa h ILE 341 N 0.02 1.20 -0.29 -0.67 1.08 -1.73 -2.56 117.51 114.56 1iwa h ILE 341 Ca -0.05 -0.63 -0.16 0.00 -0.39 0.00 0.00 64.86 63.63 1iwa h ILE 341 Cb 1.19 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.45 1iwa h ILE 341 CO 0.11 0.25 -0.45 0.74 -0.69 0.00 0.00 178.15 178.11 1iwa h THR 342 N 0.82 1.29 -0.34 -0.27 2.02 -1.01 -2.65 112.91 112.77 1iwa h THR 342 Ca 0.20 -1.63 0.07 0.00 0.77 0.00 0.00 66.41 65.81 1iwa h THR 342 Cb 0.15 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1iwa h THR 342 CO -0.02 0.53 0.24 -0.09 0.37 0.00 0.00 175.52 176.54 1iwa h ARG 343 N 0.60 0.14 -0.18 6.66 2.43 -0.95 0.13 114.38 123.20 1iwa h ARG 343 Ca 0.04 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.06 1iwa h ARG 343 Cb 1.01 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1iwa h ARG 343 CO 0.10 0.09 -0.49 0.78 -1.51 0.00 0.00 179.97 178.94 1iwa h GLY 344 N 0.14 0.52 0.95 2.80 0.00 -1.27 -2.43 103.07 103.78 1iwa h GLY 344 Ca 0.15 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1iwa h GLY 344 CO -0.02 0.51 0.03 0.74 0.00 0.00 0.00 176.54 177.80 1iwa h PHE 345 N 0.38 0.07 -0.72 5.60 0.05 -0.61 -1.45 116.94 120.25 1iwa h PHE 345 Ca 0.02 -0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.79 1iwa h PHE 345 Cb 0.99 -0.02 -0.03 0.00 2.00 0.00 0.00 35.95 38.89 1iwa h PHE 345 CO 0.03 0.10 0.38 1.88 -0.18 0.00 0.00 178.31 180.53 1iwa h TYR 346 N 0.02 1.00 -0.67 -0.55 -1.99 -1.37 -2.68 116.97 110.73 1iwa h TYR 346 Ca 0.02 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 1iwa h TYR 346 Cb 0.05 -0.32 -0.03 0.00 2.00 0.00 0.00 36.73 38.43 1iwa h TYR 346 CO -0.06 0.72 0.32 0.87 -0.00 0.00 0.00 178.16 180.02 1iwa h LYS 347 N 1.00 0.96 -0.73 4.88 1.57 -1.26 0.68 116.57 123.68 1iwa h LYS 347 Ca 0.25 -0.14 0.07 0.00 -1.87 0.00 0.00 60.65 58.96 1iwa h LYS 347 Cb 0.06 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.14 1iwa h LYS 347 CO -0.04 0.76 0.41 1.15 -0.57 0.00 0.00 179.45 181.16 1iwa h THR 348 N 0.92 0.95 0.06 -0.16 2.02 -0.99 -0.33 112.91 115.39 1iwa h THR 348 Ca 0.23 -0.25 -0.24 0.00 0.77 0.00 0.00 66.41 66.92 1iwa h THR 348 Cb 0.11 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1iwa h THR 348 CO -0.03 0.13 -1.08 -0.07 0.37 0.00 0.00 175.52 174.85 1iwa h LEU 349 N 0.73 0.31 0.00 2.58 3.38 -1.15 -3.41 115.31 117.75 1iwa h LEU 349 Ca 0.33 -0.31 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 1iwa h LEU 349 Cb 0.24 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1iwa h LEU 349 CO -0.20 1.19 -1.25 0.18 0.09 0.00 0.00 178.44 178.44 1iwa n LEU 350 N -3.55 1.87 -4.73 1.67 4.32 0.20 -1.33 117.00 115.45 1iwa n LEU 350 Ca -0.05 0.46 -0.36 0.00 -0.02 0.00 0.00 56.01 56.04 1iwa n LEU 350 Cb 0.94 -0.91 0.08 0.00 -1.62 0.00 0.00 43.42 41.91 1iwa n LEU 350 CO 0.51 0.10 0.85 -0.76 -1.22 0.00 0.00 177.39 176.86 1iwa s LEU 351 N -7.91 3.46 0.19 2.23 1.02 -0.16 -4.79 118.68 112.73 1iwa s LEU 351 Ca -0.27 2.48 0.19 0.00 0.02 0.00 0.00 54.13 56.55 1iwa s LEU 351 Cb 0.06 -4.60 -0.00 0.00 0.02 0.00 0.00 46.19 41.67 1iwa s LEU 351 CO 0.47 -2.09 1.11 1.55 0.02 0.00 0.00 176.35 177.41 1iwa h PRO 352 N 0.19 0.00 -4.65 1.29 0.13 -1.94 -3.46 132.00 123.56 1iwa h PRO 352 Ca -0.49 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.28 1iwa h PRO 352 Cb 1.31 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.18 1iwa h PRO 352 CO 0.52 0.22 -0.77 0.21 -0.23 0.00 0.00 178.00 177.95 1iwa s LYS 353 N -3.09 0.63 -0.08 0.86 2.20 -1.26 -1.12 119.74 117.88 1iwa s LYS 353 Ca 0.00 -0.42 0.03 0.00 -0.36 0.00 0.00 55.97 55.23 1iwa s LYS 353 Cb 0.08 -0.57 -0.01 0.00 -1.51 0.00 0.00 37.83 35.81 1iwa s LYS 353 CO 0.78 0.15 -0.19 -1.17 -0.36 0.00 0.00 175.35 174.55 1iwa s LEU 354 N -0.55 2.41 -0.09 5.43 2.96 0.14 -4.96 118.68 124.01 1iwa s LEU 354 Ca 0.00 -0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 53.52 1iwa s LEU 354 Cb -0.05 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 1iwa s LEU 354 CO 0.00 0.24 -0.07 -1.61 -1.32 0.00 0.00 176.35 173.59 1iwa s GLU 355 N -0.09 3.01 0.20 1.98 2.02 -1.26 -0.59 118.70 123.97 1iwa s GLU 355 Ca -0.04 -0.55 -0.33 0.00 0.02 0.00 0.00 54.97 54.07 1iwa s GLU 355 Cb -0.14 -2.66 -0.13 0.00 0.10 0.00 0.00 34.13 31.29 1iwa s GLU 355 CO 0.04 0.53 1.59 -2.13 0.02 0.00 0.00 175.26 175.31 1iwa n ARG 356 N 2.62 2.34 -3.28 1.61 0.63 -1.22 -4.89 116.66 114.48 1iwa n ARG 356 Ca -0.18 0.84 -0.05 0.00 -0.92 0.00 0.00 57.85 57.54 1iwa n ARG 356 Cb 0.53 -2.61 -0.05 0.00 0.45 0.00 0.00 32.46 30.77 1iwa n ARG 356 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1iwa s ASN 357 N 0.82 -0.23 0.48 6.15 3.84 0.73 -5.02 114.94 121.71 1iwa s ASN 357 Ca 0.75 0.18 0.14 0.00 0.21 0.00 0.00 52.86 54.13 1iwa s ASN 357 Cb -0.61 1.42 1.11 0.00 -0.55 0.00 0.00 41.25 42.61 1iwa s ASN 357 CO 0.40 -0.31 2.08 -0.07 -2.79 0.00 0.00 177.10 176.41 1iwa h LEU 358 N 8.12 0.09 -0.73 3.21 -0.00 -1.94 -1.52 115.31 122.54 1iwa h LEU 358 Ca -0.15 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.88 57.61 1iwa h LEU 358 Cb 1.15 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.77 1iwa h LEU 358 CO 0.26 0.12 -0.20 1.56 -0.00 0.00 0.00 178.44 180.18 1iwa h GLN 359 N 0.10 0.75 0.00 1.13 4.20 -1.92 -3.00 115.11 116.37 1iwa h GLN 359 Ca 0.02 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1iwa h GLN 359 Cb 0.10 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1iwa h GLN 359 CO 0.00 0.89 -0.35 0.93 -0.67 0.00 0.00 178.83 179.64 1iwa h GLU 360 N 0.66 0.00 0.00 1.46 5.08 -1.67 -3.41 114.58 116.70 1iwa h GLU 360 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1iwa h GLU 360 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1iwa h GLU 360 CO 0.05 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.47 1iwa n GLY 361 N 1.29 0.74 3.51 -3.84 0.00 -0.64 -4.56 105.19 101.69 1iwa n GLY 361 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1iwa n GLY 361 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwa s LEU 362 N 0.00 4.37 0.01 0.99 1.02 -0.81 -4.80 118.68 119.47 1iwa s LEU 362 Ca 0.00 -0.42 0.26 0.00 0.02 0.00 0.00 54.13 53.98 1iwa s LEU 362 Cb 0.00 -2.77 0.61 0.00 0.02 0.00 0.00 46.19 44.05 1iwa s LEU 362 CO 0.00 -1.04 1.49 0.49 0.02 0.00 0.00 176.35 177.31 1iwa n PHE 363 N 6.89 0.07 -4.35 0.29 3.01 -1.26 -0.19 117.46 121.91 1iwa n PHE 363 Ca -0.00 0.02 -0.21 0.00 1.01 0.00 0.00 57.45 58.27 1iwa n PHE 363 Cb 0.47 -0.34 -0.11 0.00 -0.01 0.00 0.00 39.48 39.49 1iwa n PHE 363 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1iwa s PHE 364 N -3.02 1.82 0.06 1.38 0.08 -1.26 -4.89 117.98 112.15 1iwa s PHE 364 Ca 0.11 -0.50 -0.18 0.00 0.12 0.00 0.00 56.93 56.48 1iwa s PHE 364 Cb 0.17 -0.87 -0.06 0.00 -0.57 0.00 0.00 43.02 41.69 1iwa s PHE 364 CO 0.67 0.38 0.53 -0.51 -0.10 0.00 0.00 175.22 176.20 1iwa s ASP 365 N -3.02 6.98 -0.21 1.36 -0.00 -1.26 -3.38 116.67 117.15 1iwa s ASP 365 Ca 0.20 1.18 -0.06 0.00 -0.00 0.00 0.00 52.55 53.86 1iwa s ASP 365 Cb -0.04 -2.33 0.10 0.00 -0.00 0.00 0.00 42.92 40.66 1iwa s ASP 365 CO 0.08 0.27 0.43 -0.32 -0.00 0.00 0.00 175.17 175.63 1iwa s MET 366 N -1.19 0.35 0.13 8.23 1.75 0.24 -4.96 119.30 123.85 1iwa s MET 366 Ca 0.29 0.99 -0.30 0.00 -1.25 0.00 0.00 55.69 55.42 1iwa s MET 366 Cb -0.18 0.26 -0.06 0.00 2.84 0.00 0.00 34.83 37.68 1iwa s MET 366 CO 0.18 -0.31 0.97 -1.21 -0.65 0.00 0.00 175.02 173.99 1iwa s GLU 367 N 2.63 4.72 0.00 4.11 0.41 -1.26 0.25 118.70 129.55 1iwa s GLU 367 Ca 0.01 1.48 0.20 0.00 -0.41 0.00 0.00 54.97 56.24 1iwa s GLU 367 Cb -0.13 -3.36 0.72 0.00 -1.78 0.00 0.00 34.13 29.59 1iwa s GLU 367 CO -0.14 0.25 1.52 0.91 -0.49 0.00 0.00 175.26 177.32 1iwa n TRP 368 N 2.57 0.22 -3.46 1.61 7.02 -0.27 -4.72 117.44 120.41 1iwa n TRP 368 Ca 0.02 -0.11 -0.25 0.00 -1.02 0.00 0.00 57.50 56.13 1iwa n TRP 368 Cb 0.49 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.40 1iwa n TRP 368 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1iwa n ALA 369 N 0.28 -1.13 -1.30 6.99 0.00 -1.26 -1.63 120.51 122.46 1iwa n ALA 369 Ca 0.15 0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 1iwa n ALA 369 Cb 0.31 -3.97 -0.04 0.00 0.00 0.00 0.00 19.45 15.74 1iwa n ALA 369 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1iwa n SER 370 N -2.61 -5.38 -4.76 0.00 7.64 -1.26 -4.90 113.62 102.34 1iwa n SER 370 Ca -0.02 0.25 -0.38 0.00 1.01 0.00 0.00 58.87 59.73 1iwa n SER 370 Cb 0.56 -3.78 0.01 0.00 -1.01 0.00 0.00 64.21 59.99 1iwa n SER 370 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1iwa s LEU 371 N -2.32 3.98 0.99 -3.43 1.43 -0.65 -4.96 118.68 113.72 1iwa s LEU 371 Ca 0.00 2.58 -0.11 0.00 -1.03 0.00 0.00 54.13 55.57 1iwa s LEU 371 Cb 0.00 -4.19 0.19 0.00 0.03 0.00 0.00 46.19 42.22 1iwa s LEU 371 CO 0.00 -1.19 1.11 -0.13 0.23 0.00 0.00 176.35 176.36 1iwa s ARG 372 N -2.70 0.43 0.17 1.70 0.52 -1.26 -4.98 118.95 112.84 1iwa s ARG 372 Ca 0.66 1.31 -0.15 0.00 -0.52 0.00 0.00 55.73 57.02 1iwa s ARG 372 Cb -0.36 -1.68 -0.07 0.00 0.52 0.00 0.00 34.95 33.36 1iwa s ARG 372 CO 0.43 -2.95 0.59 0.15 0.02 0.00 0.00 175.30 173.54 1iwa s LYS 373 N -4.60 4.03 -0.15 3.54 1.02 -1.26 -4.40 119.74 117.92 1iwa s LYS 373 Ca 0.67 0.56 -0.08 0.00 0.02 0.00 0.00 55.97 57.14 1iwa s LYS 373 Cb -0.23 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 1iwa s LYS 373 CO 0.60 0.44 0.14 0.08 -0.92 0.00 0.00 175.35 175.69 1iwa s VAL 374 N -1.51 5.47 -0.49 3.17 1.01 -0.44 -1.91 120.40 125.70 1iwa s VAL 374 Ca 0.40 0.20 -0.26 0.00 0.00 0.00 0.00 61.98 62.32 1iwa s VAL 374 Cb -0.15 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 32.84 1iwa s VAL 374 CO 0.20 0.56 0.96 -0.32 0.00 0.00 0.00 175.10 176.50 1iwa s MET 375 N -0.58 3.51 0.63 2.72 1.75 0.70 -4.33 119.30 123.71 1iwa s MET 375 Ca 0.13 0.13 -0.17 0.00 -1.25 0.00 0.00 55.69 54.52 1iwa s MET 375 Cb -0.12 -3.95 -0.02 0.00 2.84 0.00 0.00 34.83 33.58 1iwa s MET 375 CO 0.02 -1.31 1.18 -1.25 -0.65 0.00 0.00 175.02 173.00 1iwa s PRO 376 N 3.93 2.81 -0.10 4.11 0.04 -1.26 -2.32 135.00 142.21 1iwa s PRO 376 Ca 0.37 1.69 0.01 0.00 0.04 0.00 0.00 61.00 63.11 1iwa s PRO 376 Cb -0.10 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1iwa s PRO 376 CO 0.26 -1.30 -0.10 0.08 0.04 0.00 0.00 177.00 175.97 1iwa s VAL 377 N -1.85 1.14 -0.31 -0.36 1.01 0.53 -1.90 120.40 118.67 1iwa s VAL 377 Ca 0.74 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 62.17 1iwa s VAL 377 Cb -0.27 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1iwa s VAL 377 CO 0.36 0.37 0.31 0.00 0.00 0.00 0.00 175.10 176.15 1iwa s ALA 378 N 1.23 3.52 -0.15 5.51 0.00 -0.49 -0.88 121.76 130.50 1iwa s ALA 378 Ca -0.04 -1.08 -0.07 0.00 0.00 0.00 0.00 51.96 50.77 1iwa s ALA 378 Cb -0.14 -2.69 0.06 0.00 0.00 0.00 0.00 23.12 20.35 1iwa s ALA 378 CO -0.03 -0.82 0.34 0.45 0.00 0.00 0.00 175.76 175.70 1iwa s SER 379 N 1.71 -0.32 0.00 0.00 0.15 -1.26 -0.81 113.70 113.16 1iwa s SER 379 Ca 0.11 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1iwa s SER 379 Cb -0.16 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1iwa s SER 379 CO 0.11 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1iwa n GLY 380 N 4.46 2.39 2.59 9.45 0.00 -1.26 -4.69 105.19 118.12 1iwa n GLY 380 Ca -0.21 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 1iwa n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iwa n GLY 381 N 0.00 -0.45 3.73 -0.02 0.00 -1.26 -1.11 105.19 106.08 1iwa n GLY 381 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1iwa n GLY 381 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iwa s ILE 382 N -3.04 3.98 0.18 -0.61 -4.36 -1.26 -4.34 121.20 111.74 1iwa s ILE 382 Ca 0.11 -1.55 -0.16 0.00 -0.26 0.00 0.00 60.65 58.79 1iwa s ILE 382 Cb -0.05 -3.10 0.02 0.00 1.25 0.00 0.00 42.46 40.58 1iwa s ILE 382 CO 0.13 -0.29 0.46 -1.38 0.24 0.00 0.00 174.94 174.10 1iwa s HIS 383 N -2.09 -0.02 0.22 1.37 -3.43 -1.26 -4.31 115.29 105.76 1iwa s HIS 383 Ca 0.31 -0.32 -0.32 0.00 -0.80 0.00 0.00 55.06 53.93 1iwa s HIS 383 Cb -0.08 0.29 -0.12 0.00 -1.43 0.00 0.00 32.58 31.24 1iwa s HIS 383 CO 0.22 -0.85 1.69 0.00 -2.00 0.00 0.00 174.74 173.80 1iwa s ALA 384 N -3.88 3.90 0.00 -1.38 0.00 -1.26 -2.17 121.76 116.97 1iwa s ALA 384 Ca 0.10 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.63 1iwa s ALA 384 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1iwa s ALA 384 CO -0.03 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.21 1iwa n GLY 385 N 3.69 1.71 0.42 0.00 0.00 -1.26 -4.70 105.19 105.05 1iwa n GLY 385 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1iwa n GLY 385 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1iwa n GLN 386 N 0.00 1.59 -0.35 1.61 6.02 -0.92 -4.66 117.38 120.67 1iwa n GLN 386 Ca 0.00 -0.96 0.28 0.00 -0.01 0.00 0.00 57.00 56.31 1iwa n GLN 386 Cb 0.00 -1.26 0.53 0.00 1.02 0.00 0.00 30.24 30.54 1iwa n GLN 386 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 1iwa h MET 387 N 2.07 0.22 -0.28 -1.09 4.05 -1.89 0.29 114.93 118.30 1iwa h MET 387 Ca 0.00 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.32 1iwa h MET 387 Cb 0.55 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 1iwa h MET 387 CO 0.00 0.14 -0.18 1.12 0.23 0.00 0.00 176.91 178.22 1iwa h HIS 388 N 0.22 0.72 -0.43 1.39 2.07 -1.90 -1.33 115.15 115.89 1iwa h HIS 388 Ca 0.76 -0.19 -0.06 0.00 -2.85 0.00 0.00 60.37 58.03 1iwa h HIS 388 Cb 1.95 -0.16 -0.02 0.00 2.57 0.00 0.00 27.41 31.75 1iwa h HIS 388 CO -0.01 0.88 0.00 1.96 -3.07 0.00 0.00 177.93 177.70 1iwa h GLN 389 N 0.35 0.69 0.42 5.12 4.20 -0.92 -1.62 115.11 123.35 1iwa h GLN 389 Ca 0.06 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 1iwa h GLN 389 Cb 0.72 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1iwa h GLN 389 CO 0.05 0.71 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.64 1iwa h LEU 390 N 0.65 -0.48 -0.81 1.46 3.38 -0.57 -0.21 115.31 118.72 1iwa h LEU 390 Ca 0.13 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1iwa h LEU 390 Cb 0.40 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1iwa h LEU 390 CO 0.02 -0.24 0.52 0.40 0.09 0.00 0.00 178.44 179.23 1iwa h ILE 391 N -0.71 1.11 0.14 1.22 1.08 -1.15 0.12 117.51 119.33 1iwa h ILE 391 Ca -0.06 -0.34 -0.01 0.00 -0.39 0.00 0.00 64.86 64.06 1iwa h ILE 391 Cb 0.51 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 1iwa h ILE 391 CO 0.10 0.18 -0.07 -0.74 -0.69 0.00 0.00 178.15 176.93 1iwa h HIS 392 N 1.00 -0.18 0.15 1.37 2.76 -1.20 -1.60 115.15 117.45 1iwa h HIS 392 Ca 0.33 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.49 1iwa h HIS 392 Cb 0.03 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.05 1iwa h HIS 392 CO -0.03 0.02 -0.07 1.88 -1.30 0.00 0.00 177.93 178.43 1iwa h TYR 393 N -0.36 -0.18 0.05 5.26 0.05 -0.89 -3.39 116.97 117.51 1iwa h TYR 393 Ca -0.02 -0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.52 1iwa h TYR 393 Cb 0.28 0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 1iwa h TYR 393 CO -0.02 0.23 -1.11 -0.07 -1.05 0.00 0.00 178.16 176.14 1iwa h LEU 394 N -0.93 0.16 0.00 3.88 3.38 -0.91 -3.46 115.31 117.43 1iwa h LEU 394 Ca -0.02 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1iwa h LEU 394 Cb 0.49 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1iwa h LEU 394 CO 0.03 1.14 0.00 0.61 0.09 0.00 0.00 178.44 180.31 1iwa n GLY 395 N 1.43 -1.79 0.10 0.83 0.00 -0.60 -4.69 105.19 100.47 1iwa n GLY 395 Ca -0.04 -1.90 -0.19 0.00 0.00 0.00 0.00 46.02 43.90 1iwa n GLY 395 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1iwa h GLU 396 N 0.00 0.21 -5.62 1.61 4.81 -1.94 -3.43 114.58 110.23 1iwa h GLU 396 Ca 0.00 -0.36 -0.62 0.00 -0.13 0.00 0.00 59.36 58.24 1iwa h GLU 396 Cb 0.00 0.13 -0.13 0.00 0.63 0.00 0.00 28.75 29.38 1iwa h GLU 396 CO 0.00 1.17 0.88 -0.51 -0.73 0.00 0.00 179.01 179.83 1iwa s ASP 397 N -6.78 6.35 -0.22 1.04 1.01 -1.26 -2.41 116.67 114.40 1iwa s ASP 397 Ca -0.16 -1.25 -0.34 0.00 0.71 0.00 0.00 52.55 51.51 1iwa s ASP 397 Cb 0.00 -2.47 0.15 0.00 1.01 0.00 0.00 42.92 41.62 1iwa s ASP 397 CO 0.79 -1.43 1.24 0.54 0.21 0.00 0.00 175.17 176.52 1iwa s VAL 398 N 4.17 0.00 -0.34 -1.27 0.11 -1.26 -4.46 120.40 117.35 1iwa s VAL 398 Ca 0.31 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.28 1iwa s VAL 398 Cb -0.09 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.78 1iwa s VAL 398 CO 0.02 0.00 0.13 -0.69 -3.33 0.00 0.00 175.10 171.23 1iwa s VAL 399 N -1.95 4.11 -0.26 2.04 1.01 -0.80 -0.58 120.40 123.97 1iwa s VAL 399 Ca 0.08 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 1iwa s VAL 399 Cb -0.01 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1iwa s VAL 399 CO -0.05 -0.11 0.91 -0.76 0.00 0.00 0.00 175.10 175.09 1iwa s LEU 400 N 1.48 4.07 -0.28 3.92 1.02 0.65 -1.39 118.68 128.14 1iwa s LEU 400 Ca 0.01 1.06 -0.04 0.00 0.02 0.00 0.00 54.13 55.18 1iwa s LEU 400 Cb -0.19 -3.31 0.02 0.00 0.02 0.00 0.00 46.19 42.74 1iwa s LEU 400 CO 0.04 -0.62 0.02 -1.10 0.02 0.00 0.00 176.35 174.71 1iwa s GLN 401 N 3.06 2.85 -0.42 1.70 -0.21 0.01 -0.72 119.66 125.93 1iwa s GLN 401 Ca 0.38 -0.99 -0.08 0.00 0.02 0.00 0.00 55.36 54.69 1iwa s GLN 401 Cb -0.15 -3.22 0.08 0.00 1.00 0.00 0.00 33.01 30.73 1iwa s GLN 401 CO 0.09 -0.48 0.25 -0.06 -2.12 0.00 0.00 175.29 172.97 1iwa s PHE 402 N 1.39 3.37 0.00 0.91 0.40 0.02 -4.16 117.98 119.92 1iwa s PHE 402 Ca 0.00 -1.68 0.00 0.00 -0.60 0.00 0.00 56.93 54.65 1iwa s PHE 402 Cb -0.18 -2.99 0.00 0.00 0.51 0.00 0.00 43.02 40.37 1iwa s PHE 402 CO -0.00 -0.87 0.00 0.41 0.70 0.00 0.00 175.22 175.45 1iwa n GLY 403 N 4.86 0.09 0.16 4.36 0.00 -1.26 -4.00 105.19 109.41 1iwa n GLY 403 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.94 1iwa n GLY 403 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iwa h GLY 404 N 0.00 0.00 0.51 -0.02 0.00 -1.91 -2.55 103.07 99.10 1iwa h GLY 404 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iwa h GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1iwa n GLY 405 N -0.04 -0.37 1.27 4.60 0.00 -1.26 -1.36 105.19 108.03 1iwa n GLY 405 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1iwa n GLY 405 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iwa n THR 406 N -0.75 0.16 0.31 2.61 -1.04 -1.03 -4.77 114.28 109.77 1iwa n THR 406 Ca 0.04 0.05 0.19 0.00 -2.04 0.00 0.00 64.05 62.30 1iwa n THR 406 Cb 0.02 -0.84 0.98 0.00 -1.82 0.00 0.00 70.33 68.67 1iwa n THR 406 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1iwa h ILE 407 N 0.00 0.12 -0.02 12.58 2.04 -1.54 -1.43 117.51 129.26 1iwa h ILE 407 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1iwa h ILE 407 Cb 0.00 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1iwa h ILE 407 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 1iwa n GLY 408 N -1.21 -0.62 3.75 5.37 0.00 -0.46 -4.76 105.19 107.26 1iwa n GLY 408 Ca -0.02 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1iwa n GLY 408 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1iwa s HIS 409 N -1.98 3.12 0.24 1.61 5.04 -0.54 -4.93 115.29 117.85 1iwa s HIS 409 Ca 0.41 1.25 0.20 0.00 -1.54 0.00 0.00 55.06 55.38 1iwa s HIS 409 Cb 0.20 -3.69 0.87 0.00 0.04 0.00 0.00 32.58 30.01 1iwa s HIS 409 CO 0.33 -2.06 1.83 -1.00 -2.34 0.00 0.00 174.74 171.49 1iwa h PRO 410 N 4.49 0.00 -0.19 2.88 0.13 -1.91 -2.90 132.00 134.51 1iwa h PRO 410 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1iwa h PRO 410 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1iwa h PRO 410 CO 0.73 0.30 0.00 -0.25 -0.23 0.00 0.00 178.00 178.55 1iwa n ASP 411 N -3.61 1.06 0.00 1.44 10.43 -1.26 -5.01 116.55 119.60 1iwa n ASP 411 Ca -0.01 -1.94 0.00 0.00 2.57 0.00 0.00 54.79 55.41 1iwa n ASP 411 Cb 0.43 -0.12 0.00 0.00 1.84 0.00 0.00 41.12 43.27 1iwa n ASP 411 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1iwa n GLY 412 N 0.84 1.09 0.17 0.44 0.00 -1.09 -4.53 105.19 102.11 1iwa n GLY 412 Ca 0.08 -2.14 -0.17 0.00 0.00 0.00 0.00 46.02 43.80 1iwa n GLY 412 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1iwa h ILE 413 N 0.00 1.36 -0.89 -0.61 2.04 -1.84 -2.59 117.51 114.98 1iwa h ILE 413 Ca 0.00 -1.89 0.08 0.00 1.00 0.00 0.00 64.86 64.05 1iwa h ILE 413 Cb 0.00 2.23 -0.07 0.00 -0.74 0.00 0.00 36.82 38.24 1iwa h ILE 413 CO 0.00 0.57 0.55 1.56 0.00 0.00 0.00 178.15 180.83 1iwa h GLN 414 N 0.15 0.94 0.01 2.37 4.20 -1.88 -1.14 115.11 119.77 1iwa h GLN 414 Ca -0.05 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1iwa h GLN 414 Cb 1.22 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1iwa h GLN 414 CO 0.12 0.62 -0.01 0.00 -0.67 0.00 0.00 178.83 178.89 1iwa h ALA 415 N 1.44 -0.02 -0.72 3.87 0.00 -1.79 -1.56 119.26 120.48 1iwa h ALA 415 Ca 0.40 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.31 1iwa h ALA 415 Cb 0.25 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 1iwa h ALA 415 CO -0.20 -0.38 0.27 0.78 0.00 0.00 0.00 179.25 179.72 1iwa h GLY 416 N -0.28 1.07 0.90 0.00 0.00 -1.01 -0.53 103.07 103.22 1iwa h GLY 416 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1iwa h GLY 416 CO 0.00 -0.09 0.09 0.00 0.00 0.00 0.00 176.54 176.54 1iwa h ALA 417 N 1.53 0.39 -0.97 3.60 0.00 -1.12 -2.92 119.26 119.77 1iwa h ALA 417 Ca 0.39 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1iwa h ALA 417 Cb 0.58 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1iwa h ALA 417 CO -0.39 0.03 0.63 1.15 0.00 0.00 0.00 179.25 180.67 1iwa h THR 418 N 0.32 1.15 -0.08 0.00 2.02 -0.29 -0.88 112.91 115.14 1iwa h THR 418 Ca 0.09 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 66.89 1iwa h THR 418 Cb 0.26 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 1iwa h THR 418 CO -0.00 0.22 -0.11 0.00 0.37 0.00 0.00 175.52 176.00 1iwa h ALA 419 N 1.41 -0.05 -0.81 6.16 0.00 -0.96 0.66 119.26 125.67 1iwa h ALA 419 Ca 0.39 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 1iwa h ALA 419 Cb 0.04 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1iwa h ALA 419 CO -0.13 -0.57 0.43 -0.91 0.00 0.00 0.00 179.25 178.06 1iwa h ASN 420 N -0.14 1.03 -0.38 0.00 2.35 -1.24 -1.09 115.58 116.09 1iwa h ASN 420 Ca 0.07 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1iwa h ASN 420 Cb 0.24 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1iwa h ASN 420 CO -0.17 0.84 0.10 -0.09 -1.65 0.00 0.00 177.43 176.46 1iwa h ARG 421 N 1.13 0.61 -0.02 0.81 9.65 -0.76 -1.34 114.38 124.47 1iwa h ARG 421 Ca 0.28 -0.14 -0.00 0.00 -1.10 0.00 0.00 59.98 59.02 1iwa h ARG 421 Cb 0.06 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.55 1iwa h ARG 421 CO -0.04 0.64 -0.00 0.28 2.80 0.00 0.00 179.97 183.65 1iwa h VAL 422 N 0.48 1.25 -0.86 0.20 2.07 -0.69 -2.01 116.25 116.69 1iwa h VAL 422 Ca 0.12 -0.76 0.10 0.00 0.82 0.00 0.00 66.70 66.98 1iwa h VAL 422 Cb 0.30 1.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 1iwa h VAL 422 CO 0.00 0.20 0.50 0.00 0.02 0.00 0.00 177.57 178.29 1iwa h ALA 423 N 0.69 1.24 0.41 1.67 0.00 -1.19 0.22 119.26 122.30 1iwa h ALA 423 Ca 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1iwa h ALA 423 Cb 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1iwa h ALA 423 CO 0.00 0.13 -0.20 1.25 0.00 0.00 0.00 179.25 180.43 1iwa h LEU 424 N 0.84 -0.47 -0.56 0.00 5.85 -1.11 -0.76 115.31 119.10 1iwa h LEU 424 Ca 0.41 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 1iwa h LEU 424 Cb 0.38 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1iwa h LEU 424 CO -0.25 -0.28 0.31 -0.33 -0.34 0.00 0.00 178.44 177.55 1iwa h GLU 425 N -0.64 0.78 0.02 1.25 5.08 -0.98 -0.28 114.58 119.82 1iwa h GLU 425 Ca -0.06 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1iwa h GLU 425 Cb 0.47 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1iwa h GLU 425 CO 0.09 0.60 -0.23 0.00 -1.00 0.00 0.00 179.01 178.48 1iwa h ALA 426 N 1.14 -0.32 -0.79 3.43 0.00 -0.49 0.18 119.26 122.40 1iwa h ALA 426 Ca 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1iwa h ALA 426 Cb 0.05 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1iwa h ALA 426 CO -0.03 -0.73 0.40 1.98 0.00 0.00 0.00 179.25 180.86 1iwa h MET 427 N -0.37 1.12 -0.47 0.00 1.85 -0.90 -1.24 114.93 114.92 1iwa h MET 427 Ca 0.05 -0.15 -0.07 0.00 -0.61 0.00 0.00 59.70 58.93 1iwa h MET 427 Cb 0.44 -0.21 -0.02 0.00 0.43 0.00 0.00 31.60 32.24 1iwa h MET 427 CO -0.19 0.85 0.04 0.82 -0.40 0.00 0.00 176.91 178.03 1iwa h ILE 428 N 1.12 1.26 -0.78 1.77 1.08 -0.52 -0.19 117.51 121.25 1iwa h ILE 428 Ca 0.28 -0.99 0.05 0.00 -0.39 0.00 0.00 64.86 63.80 1iwa h ILE 428 Cb 0.08 0.98 -0.05 0.00 -3.07 0.00 0.00 36.82 34.76 1iwa h ILE 428 CO -0.04 0.35 0.48 0.25 -0.69 0.00 0.00 178.15 178.50 1iwa h LEU 429 N 0.66 0.77 -0.26 1.44 7.12 -0.23 0.11 115.31 124.93 1iwa h LEU 429 Ca 0.14 0.01 -0.06 0.00 0.13 0.00 0.00 57.88 58.10 1iwa h LEU 429 Cb 0.45 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 1iwa h LEU 429 CO 0.02 0.51 -0.06 0.00 -0.13 0.00 0.00 178.44 178.78 1iwa h ALA 430 N 1.36 0.36 -0.10 1.25 0.00 -0.95 -0.48 119.26 120.69 1iwa h ALA 430 Ca 0.33 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1iwa h ALA 430 Cb 0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1iwa h ALA 430 CO -0.14 0.16 -0.17 -0.09 0.00 0.00 0.00 179.25 179.00 1iwa h ARG 431 N 0.25 -0.22 -0.90 0.00 2.43 -0.42 -1.55 114.38 113.97 1iwa h ARG 431 Ca 0.07 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 1iwa h ARG 431 Cb 0.53 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.07 1iwa h ARG 431 CO 0.02 -0.14 0.58 -0.91 -1.51 0.00 0.00 179.97 178.01 1iwa h ASN 432 N -0.23 0.89 0.00 -3.80 4.21 -0.64 0.44 115.58 116.45 1iwa h ASN 432 Ca 0.09 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.60 1iwa h ASN 432 Cb 0.35 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 1iwa h ASN 432 CO -0.23 0.56 0.00 -0.62 -1.29 0.00 0.00 177.43 175.85 1iwa n GLU 433 N -4.49 0.62 -1.37 0.81 1.02 -0.20 -4.80 120.64 112.23 1iwa n GLU 433 Ca 0.14 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.15 1iwa n GLU 433 Cb 0.21 -1.10 -0.05 0.00 -0.02 0.00 0.00 31.44 30.48 1iwa n GLU 433 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1iwa n ASN 434 N -0.28 -5.08 -4.83 1.62 2.85 0.14 -5.00 115.26 104.69 1iwa n ASN 434 Ca 0.00 0.31 -0.32 0.00 -0.11 0.00 0.00 54.58 54.46 1iwa n ASN 434 Cb 0.05 -3.69 -0.00 0.00 1.24 0.00 0.00 39.78 37.37 1iwa n ASN 434 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1iwa s ARG 435 N -2.97 3.57 -1.32 1.20 0.52 -0.96 -4.93 118.95 114.06 1iwa s ARG 435 Ca 0.00 1.03 -0.15 0.00 -0.52 0.00 0.00 55.73 56.09 1iwa s ARG 435 Cb 0.00 -2.08 0.10 0.00 0.52 0.00 0.00 34.95 33.50 1iwa s ARG 435 CO 0.00 -0.59 1.81 -3.47 0.02 0.00 0.00 175.30 173.07 1iwa n ASP 436 N -2.03 4.77 0.19 0.23 4.64 -1.26 -4.63 116.55 118.47 1iwa n ASP 436 Ca 0.07 -2.94 0.07 0.00 -1.38 0.00 0.00 54.79 50.61 1iwa n ASP 436 Cb 0.53 -1.65 0.58 0.00 -1.04 0.00 0.00 41.12 39.55 1iwa n ASP 436 CO 0.00 0.00 0.00 0.10 -0.82 0.00 0.00 177.20 176.48 1iwa h TYR 437 N 6.82 0.14 -0.64 -0.67 -0.00 -1.92 -1.10 116.97 119.60 1iwa h TYR 437 Ca 0.44 0.00 0.04 0.00 0.00 0.00 0.00 58.73 59.21 1iwa h TYR 437 Cb 0.78 -0.05 -0.04 0.00 0.00 0.00 0.00 36.73 37.42 1iwa h TYR 437 CO 1.34 0.09 0.39 1.25 -0.00 0.00 0.00 178.16 181.22 1iwa h LEU 438 N 0.15 0.62 0.17 0.10 6.46 -1.87 1.15 115.31 122.09 1iwa h LEU 438 Ca 0.04 0.01 -0.26 0.00 -0.12 0.00 0.00 57.88 57.55 1iwa h LEU 438 Cb -0.02 -0.12 0.03 0.00 -0.73 0.00 0.00 40.66 39.82 1iwa h LEU 438 CO -0.01 0.43 -1.13 0.74 -0.62 0.00 0.00 178.44 177.85 1iwa h THR 439 N 0.75 1.37 -0.07 1.05 2.02 -1.87 -3.30 112.91 112.87 1iwa h THR 439 Ca 0.27 -2.54 0.00 0.00 0.77 0.00 0.00 66.41 64.91 1iwa h THR 439 Cb 0.06 2.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 1iwa h THR 439 CO -0.12 0.75 0.00 -0.62 0.37 0.00 0.00 175.52 175.90 1iwa n GLU 440 N -3.92 1.38 -0.21 6.66 1.02 -0.46 -4.55 120.64 120.56 1iwa n GLU 440 Ca -0.15 -0.56 -0.10 0.00 -0.02 0.00 0.00 57.16 56.33 1iwa n GLU 440 Cb 0.95 -1.38 -0.08 0.00 -0.02 0.00 0.00 31.44 30.90 1iwa n GLU 440 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1iwa h GLY 441 N 5.13 -1.17 0.50 0.62 0.00 0.13 -0.23 103.07 108.05 1iwa h GLY 441 Ca 0.00 0.79 0.13 0.00 0.00 0.00 0.00 47.33 48.26 1iwa h GLY 441 CO 0.00 -0.19 0.60 -2.55 0.00 0.00 0.00 176.54 174.40 1iwa h PRO 442 N -0.19 0.81 0.14 4.80 0.11 -1.85 -2.36 132.00 133.46 1iwa h PRO 442 Ca 0.09 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 1iwa h PRO 442 Cb 0.43 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.36 1iwa h PRO 442 CO -0.61 0.53 -0.07 0.93 -0.21 0.00 0.00 178.00 178.57 1iwa h GLU 443 N 0.83 -0.18 -1.00 1.05 4.39 -1.62 -1.27 114.58 116.78 1iwa h GLU 443 Ca 0.47 0.01 0.22 0.00 0.34 0.00 0.00 59.36 60.41 1iwa h GLU 443 Cb 0.61 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.20 1iwa h GLU 443 CO -0.24 0.10 0.62 0.82 -1.16 0.00 0.00 179.01 179.16 1iwa h ILE 444 N -0.47 0.62 0.13 3.13 2.04 -0.62 0.39 117.51 122.73 1iwa h ILE 444 Ca -0.02 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1iwa h ILE 444 Cb 0.37 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1iwa h ILE 444 CO 0.03 0.11 -0.06 -0.07 0.00 0.00 0.00 178.15 178.16 1iwa h LEU 445 N 0.58 -0.15 -1.72 1.44 3.38 -1.32 -1.71 115.31 115.81 1iwa h LEU 445 Ca 0.58 -0.39 0.12 0.00 0.09 0.00 0.00 57.88 58.29 1iwa h LEU 445 Cb 1.16 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1iwa h LEU 445 CO -0.35 0.45 0.41 -0.09 0.09 0.00 0.00 178.44 178.95 1iwa h ARG 446 N -0.89 0.29 0.21 1.13 2.43 -0.74 0.71 114.38 117.52 1iwa h ARG 446 Ca -0.02 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1iwa h ARG 446 Cb 0.53 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1iwa h ARG 446 CO 0.03 0.20 -0.10 1.49 -1.51 0.00 0.00 179.97 180.07 1iwa h GLU 447 N 0.30 -0.27 0.00 0.20 4.57 -0.24 -2.69 114.58 116.45 1iwa h GLU 447 Ca 0.28 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.46 1iwa h GLU 447 Cb 0.71 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1iwa h GLU 447 CO -0.07 0.04 -0.12 0.00 -1.18 0.00 0.00 179.01 177.68 1iwa h ALA 448 N 0.10 1.07 0.00 2.92 0.00 -0.30 -2.42 119.26 120.63 1iwa h ALA 448 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1iwa h ALA 448 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1iwa h ALA 448 CO 0.05 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1iwa h ALA 449 N 1.88 1.00 0.00 0.00 0.00 0.61 -2.81 119.26 119.94 1iwa h ALA 449 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1iwa h ALA 449 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1iwa h ALA 449 CO 0.02 0.00 -0.29 0.87 0.00 0.00 0.00 179.25 179.84 1iwa h LYS 450 N 0.00 0.00 0.00 0.00 1.57 -1.11 -2.97 116.57 114.07 1iwa h LYS 450 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1iwa h LYS 450 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1iwa h LYS 450 CO 0.00 0.29 -1.10 2.41 -0.57 0.00 0.00 179.45 180.49 1iwa n THR 451 N -4.07 0.05 -3.89 -0.16 -1.04 -1.07 -4.85 114.28 99.25 1iwa n THR 451 Ca -0.02 -0.14 -0.30 0.00 -2.04 0.00 0.00 64.05 61.55 1iwa n THR 451 Cb 0.35 0.54 -0.16 0.00 -1.82 0.00 0.00 70.33 69.24 1iwa n THR 451 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iwa h GLY 453 N 8.02 0.68 0.45 0.00 0.00 -1.89 -1.87 103.07 108.46 1iwa h GLY 453 Ca -0.17 -0.11 0.10 0.00 0.00 0.00 0.00 47.33 47.14 1iwa h GLY 453 CO 0.40 0.03 0.36 0.00 0.00 0.00 0.00 176.54 177.33 1iwa h ALA 454 N 1.33 1.01 0.04 3.60 0.00 -1.93 0.20 119.26 123.50 1iwa h ALA 454 Ca 0.24 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1iwa h ALA 454 Cb 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1iwa h ALA 454 CO -0.23 -0.04 -0.02 1.25 0.00 0.00 0.00 179.25 180.21 1iwa h LEU 455 N 0.61 -0.05 -0.14 0.00 5.85 -1.73 0.49 115.31 120.34 1iwa h LEU 455 Ca 0.36 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1iwa h LEU 455 Cb 0.39 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1iwa h LEU 455 CO -0.27 0.09 -0.19 -0.09 -0.34 0.00 0.00 178.44 177.64 1iwa h ARG 456 N -0.18 -0.23 -0.98 1.25 2.43 -0.65 0.17 114.38 116.19 1iwa h ARG 456 Ca -0.01 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1iwa h ARG 456 Cb 0.17 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.69 1iwa h ARG 456 CO 0.01 -0.15 0.63 1.15 -1.51 0.00 0.00 179.97 180.09 1iwa h THR 457 N -0.24 1.00 0.00 0.20 2.02 -0.46 -0.79 112.91 114.64 1iwa h THR 457 Ca 0.10 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.81 1iwa h THR 457 Cb 0.39 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1iwa h THR 457 CO -0.28 0.19 -0.56 0.00 0.37 0.00 0.00 175.52 175.24 1iwa h ALA 458 N 1.51 0.98 -0.24 6.16 0.00 0.26 -2.78 119.26 125.15 1iwa h ALA 458 Ca 0.45 -0.51 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 1iwa h ALA 458 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1iwa h ALA 458 CO -0.21 0.70 -0.62 -0.07 0.00 0.00 0.00 179.25 179.05 1iwa h LEU 459 N 0.00 0.94 -0.36 0.00 3.38 0.71 -3.14 115.31 116.83 1iwa h LEU 459 Ca -0.01 -0.54 -0.19 0.00 0.09 0.00 0.00 57.88 57.24 1iwa h LEU 459 Cb 1.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1iwa h LEU 459 CO 0.07 1.33 -0.72 0.44 0.09 0.00 0.00 178.44 179.65 1iwa h ASP 460 N 0.61 0.60 -0.11 -0.43 3.32 -1.35 -2.84 116.42 116.22 1iwa h ASP 460 Ca -0.01 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1iwa h ASP 460 Cb 1.23 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1iwa h ASP 460 CO 0.13 1.13 0.07 0.25 -1.72 0.00 0.00 179.24 179.11 1iwa h LEU 461 N 0.35 0.13 -3.53 1.55 6.46 -1.52 -3.27 115.31 115.48 1iwa h LEU 461 Ca -0.03 -0.02 -0.36 0.00 -0.12 0.00 0.00 57.88 57.34 1iwa h LEU 461 Cb 1.30 -0.03 -0.25 0.00 -0.73 0.00 0.00 40.66 40.95 1iwa h LEU 461 CO 0.13 0.11 -0.38 0.79 -0.62 0.00 0.00 178.44 178.48 1iwa n TRP 462 N -5.00 1.85 0.22 1.25 8.01 -1.19 -4.80 117.44 117.79 1iwa n TRP 462 Ca -0.05 -2.02 -0.15 0.00 -1.31 0.00 0.00 57.50 53.97 1iwa n TRP 462 Cb 0.04 -0.49 -0.07 0.00 -2.01 0.00 0.00 31.31 28.77 1iwa n TRP 462 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 1iwa h LYS 463 N 1.63 -0.58 0.00 -0.99 3.64 -1.55 -3.16 116.57 115.57 1iwa h LYS 463 Ca 0.29 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1iwa h LYS 463 Cb 1.39 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1iwa h LYS 463 CO 0.61 -0.38 -0.05 -0.44 -2.27 0.00 0.00 179.45 176.93 1iwa h ASP 464 N -0.60 0.00 -1.92 4.20 3.45 -1.87 -3.46 116.42 116.22 1iwa h ASP 464 Ca -0.03 -0.00 -0.62 0.00 0.43 0.00 0.00 57.03 56.81 1iwa h ASP 464 Cb 0.51 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.29 1iwa h ASP 464 CO 0.02 0.00 1.18 -0.38 -1.57 0.00 0.00 179.24 178.49 1iwa n ILE 465 N -3.01 0.52 -3.84 0.35 2.08 -1.19 -4.96 119.36 109.31 1iwa n ILE 465 Ca 0.04 -0.16 -0.12 0.00 0.56 0.00 0.00 62.75 63.07 1iwa n ILE 465 Cb 0.52 -1.92 -0.10 0.00 -0.75 0.00 0.00 39.64 37.39 1iwa n ILE 465 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1iwa s THR 466 N 4.89 0.07 -0.59 1.39 -1.32 -1.26 -5.08 115.64 113.74 1iwa s THR 466 Ca 0.96 -0.56 0.06 0.00 -1.21 0.00 0.00 61.69 60.94 1iwa s THR 466 Cb -0.68 -0.44 0.30 0.00 -1.51 0.00 0.00 72.50 70.17 1iwa s THR 466 CO 0.50 -0.31 0.84 0.49 -2.21 0.00 0.00 174.62 173.94 1iwa n PHE 467 N 1.63 3.57 -3.05 9.09 3.72 -1.26 -5.06 117.46 126.10 1iwa n PHE 467 Ca -0.21 -4.04 -0.42 0.00 -0.05 0.00 0.00 57.45 52.73 1iwa n PHE 467 Cb 0.56 -0.51 -0.06 0.00 -0.94 0.00 0.00 39.48 38.53 1iwa n PHE 467 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1iwa s ASN 468 N -2.95 6.51 0.12 4.37 -0.87 -1.26 -4.88 114.94 115.98 1iwa s ASN 468 Ca 0.44 0.36 -0.07 0.00 -1.57 0.00 0.00 52.86 52.02 1iwa s ASN 468 Cb 0.23 -2.36 -0.01 0.00 -0.02 0.00 0.00 41.25 39.09 1iwa s ASN 468 CO -0.08 -0.60 0.18 -0.31 -2.57 0.00 0.00 177.10 173.72 1iwa s TYR 469 N 2.81 0.38 0.32 2.20 1.51 -1.26 -5.14 117.35 118.17 1iwa s TYR 469 Ca 0.28 -0.79 -0.29 0.00 -1.01 0.00 0.00 57.07 55.25 1iwa s TYR 469 Cb -0.14 -0.15 -0.10 0.00 -0.11 0.00 0.00 41.96 41.45 1iwa s TYR 469 CO 0.14 -0.59 1.22 0.99 -1.11 0.00 0.00 175.55 176.21 1iwa s THR 470 N -3.93 3.02 0.12 -0.71 2.01 -1.26 -5.00 115.64 109.89 1iwa s THR 470 Ca 0.12 1.02 -0.26 0.00 0.31 0.00 0.00 61.69 62.89 1iwa s THR 470 Cb 0.05 -3.65 -0.07 0.00 0.01 0.00 0.00 72.50 68.84 1iwa s THR 470 CO -0.05 0.24 0.80 -0.44 -0.69 0.00 0.00 174.62 174.48 1iwa s SER 471 N -0.67 7.35 -0.03 3.53 0.01 -1.26 -4.97 113.70 117.67 1iwa s SER 471 Ca 0.48 1.61 0.05 0.00 1.31 0.00 0.00 55.95 59.39 1iwa s SER 471 Cb -0.36 -2.50 -0.25 0.00 0.21 0.00 0.00 66.02 63.12 1iwa s SER 471 CO 0.48 0.10 0.73 0.71 0.41 0.00 0.00 173.24 175.67 1iwa h THR 472 N 3.70 0.99 -3.40 1.44 1.35 -1.94 -3.42 112.91 111.63 1iwa h THR 472 Ca -0.45 -2.75 -0.74 0.00 -0.55 0.00 0.00 66.41 61.92 1iwa h THR 472 Cb 1.21 2.57 -0.29 0.00 -1.73 0.00 0.00 68.15 69.91 1iwa h THR 472 CO 0.69 0.70 -0.27 -0.62 -0.25 0.00 0.00 175.52 175.77 1iwa s ASP 473 N -6.56 5.90 0.26 5.36 2.15 -1.26 -4.21 116.67 118.32 1iwa s ASP 473 Ca -0.08 -2.19 0.12 0.00 0.43 0.00 0.00 52.55 50.83 1iwa s ASP 473 Cb 0.08 -2.05 -0.05 0.00 -0.30 0.00 0.00 42.92 40.59 1iwa s ASP 473 CO 0.82 -0.65 -0.19 -0.89 -0.17 0.00 0.00 175.17 174.09 1iwa s THR 474 N 0.95 2.54 0.69 1.71 2.01 -1.26 -4.60 115.64 117.68 1iwa s THR 474 Ca 0.09 -2.26 -0.14 0.00 0.31 0.00 0.00 61.69 59.69 1iwa s THR 474 Cb -0.23 -2.30 0.02 0.00 0.01 0.00 0.00 72.50 69.99 1iwa s THR 474 CO -0.02 -0.32 1.12 -0.55 -0.69 0.00 0.00 174.62 174.16 1iwa s SER 475 N -3.30 4.83 0.00 3.53 0.15 -1.26 -4.95 113.70 112.70 1iwa s SER 475 Ca 0.28 2.04 0.18 0.00 0.70 0.00 0.00 55.95 59.15 1iwa s SER 475 Cb -0.06 -2.55 0.40 0.00 -1.71 0.00 0.00 66.02 62.10 1iwa s SER 475 CO 0.14 -1.82 1.33 0.47 1.20 0.00 0.00 173.24 174.56 1iwa n ASP 476 N -2.64 3.25 -3.00 5.45 8.00 -1.26 -4.53 116.55 121.82 1iwa n ASP 476 Ca 0.11 -1.93 -0.19 0.00 0.71 0.00 0.00 54.79 53.48 1iwa n ASP 476 Cb 0.52 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 1iwa n ASP 476 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1iwa n PHE 477 N 1.16 1.49 0.28 1.24 3.01 -1.26 -4.69 117.46 118.70 1iwa n PHE 477 Ca 0.17 -3.66 0.03 0.00 1.01 0.00 0.00 57.45 55.00 1iwa n PHE 477 Cb 0.52 -0.41 0.03 0.00 -0.01 0.00 0.00 39.48 39.61 1iwa n PHE 477 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10