#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 0.41 -0.57 -0.78 3.00 -1.26 -5.08 116.66 112.37 1iwa n ARG 7 Ca 0.00 -0.25 -0.27 0.00 -0.01 0.00 0.00 57.85 57.33 1iwa n ARG 7 Cb 0.00 -0.71 0.18 0.00 0.00 0.00 0.00 32.46 31.93 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 -0.13 0.00 -4.04 0.55 5.41 -1.26 -5.01 119.36 114.89 1iwa n ILE 8 Ca 0.00 -0.18 -0.32 0.00 1.00 0.00 0.00 62.75 63.26 1iwa n ILE 8 Cb 0.08 -0.60 -0.06 0.00 -0.71 0.00 0.00 39.64 38.35 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 -3.60 3.06 -0.41 0.38 2.47 -1.26 -5.07 119.74 115.32 1iwa s LYS 9 Ca 0.49 -0.56 0.05 0.00 -1.56 0.00 0.00 55.97 54.40 1iwa s LYS 9 Cb -0.09 -2.84 0.20 0.00 -1.46 0.00 0.00 37.83 33.63 1iwa s LYS 9 CO 0.53 0.61 0.43 -1.71 0.16 0.00 0.00 175.35 175.37 1iwa n ASN 10 N 0.72 -0.57 0.00 1.43 2.85 -1.26 -4.72 115.26 113.71 1iwa n ASN 10 Ca -0.10 -2.52 0.00 0.00 -0.11 0.00 0.00 54.58 51.85 1iwa n ASN 10 Cb 0.52 -0.36 0.00 0.00 1.24 0.00 0.00 39.78 41.18 1iwa n ASN 10 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1iwa n SER 11 N 2.42 0.39 -0.05 1.20 3.41 -1.26 -5.00 113.62 114.73 1iwa n SER 11 Ca 0.26 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.79 1iwa n SER 11 Cb 0.50 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.54 1iwa n SER 11 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1iwa h ARG 12 N 0.00 0.70 -1.03 4.33 9.65 -2.02 -3.19 114.38 122.81 1iwa h ARG 12 Ca 0.00 -0.32 -0.61 0.00 -1.10 0.00 0.00 59.98 57.95 1iwa h ARG 12 Cb 0.00 -0.01 -0.28 0.00 -1.39 0.00 0.00 29.97 28.28 1iwa h ARG 12 CO 0.00 0.92 0.78 0.66 2.80 0.00 0.00 179.97 185.14 1iwa n TYR 13 N -4.07 3.07 -3.76 2.20 4.02 -1.26 -4.93 117.16 112.43 1iwa n TYR 13 Ca -0.01 -2.62 -0.37 0.00 -0.01 0.00 0.00 57.90 54.89 1iwa n TYR 13 Cb 0.48 -1.28 -0.06 0.00 -0.02 0.00 0.00 39.34 38.46 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 -3.53 3.63 0.50 -0.72 -1.05 -1.21 -4.31 118.70 112.01 1iwa s GLU 14 Ca 0.60 0.02 -0.16 0.00 -0.15 0.00 0.00 54.97 55.28 1iwa s GLU 14 Cb 0.48 -3.22 -0.14 0.00 -0.44 0.00 0.00 34.13 30.82 1iwa s GLU 14 CO 0.02 0.71 -0.18 0.43 0.95 0.00 0.00 175.26 177.20 1iwa n SER 15 N 2.08 -3.53 0.00 0.83 7.64 -1.26 -4.86 113.62 114.52 1iwa n SER 15 Ca -0.18 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1iwa n SER 15 Cb 0.54 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 2.36 3.52 3.66 0.23 0.00 -1.26 -4.97 105.19 108.72 1iwa n GLY 16 Ca 0.06 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.52 5.09 0.09 1.61 1.01 -1.26 -2.33 120.40 122.09 1iwa s VAL 17 Ca 0.00 0.99 0.07 0.00 0.00 0.00 0.00 61.98 63.05 1iwa s VAL 17 Cb 0.00 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1iwa s VAL 17 CO 0.00 0.16 -0.19 0.27 0.00 0.00 0.00 175.10 175.34 1iwa s ILE 18 N 1.71 1.57 0.81 2.22 -4.36 -1.26 -5.02 121.20 116.87 1iwa s ILE 18 Ca 0.25 -1.47 -0.14 0.00 -0.26 0.00 0.00 60.65 59.02 1iwa s ILE 18 Cb -0.15 -1.44 0.03 0.00 1.25 0.00 0.00 42.46 42.15 1iwa s ILE 18 CO 0.10 -0.09 0.82 -0.81 0.24 0.00 0.00 174.94 175.20 1iwa n PRO 19 N 1.16 0.13 0.14 0.37 -0.04 -1.26 -4.89 135.00 130.61 1iwa n PRO 19 Ca -0.20 0.10 0.02 0.00 -0.04 0.00 0.00 63.50 63.39 1iwa n PRO 19 Cb 0.54 -2.12 0.39 0.00 -0.04 0.00 0.00 33.50 32.27 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 -0.86 0.19 0.00 0.54 0.05 -1.93 -2.39 116.97 112.56 1iwa h TYR 20 Ca -0.45 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.27 1iwa h TYR 20 Cb 1.31 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 39.00 1iwa h TYR 20 CO 0.41 0.36 -0.13 0.00 -1.05 0.00 0.00 178.16 177.75 1iwa h ALA 21 N 1.65 1.20 -0.38 3.88 0.00 -1.89 -2.31 119.26 121.41 1iwa h ALA 21 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1iwa h ALA 21 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1iwa h ALA 21 CO 0.03 0.17 0.00 1.63 0.00 0.00 0.00 179.25 181.08 1iwa n LYS 22 N -3.54 2.32 -0.00 0.00 4.01 -0.91 -4.24 118.16 115.80 1iwa n LYS 22 Ca -0.01 -2.01 0.10 0.00 -0.51 0.00 0.00 58.31 55.88 1iwa n LYS 22 Cb 0.28 -1.48 -0.11 0.00 -0.51 0.00 0.00 35.03 33.20 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 1.20 0.01 0.00 1.97 2.81 -0.87 -4.96 117.12 117.28 1iwa n MET 22 Ca 0.19 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 1iwa n MET 22 Cb 0.53 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.54 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 1.50 0.92 0.23 3.03 0.00 -1.25 -4.99 105.19 104.62 1iwa n GLY 23 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.38 0.00 -5.04 1.61 4.01 -1.24 -4.74 117.16 111.39 1iwa n TYR 24 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 1iwa n TYR 24 Cb 0.00 -0.13 -0.16 0.00 -0.31 0.00 0.00 39.34 38.74 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 -2.46 2.65 -0.39 -0.72 -0.11 -1.26 -0.44 118.94 116.21 1iwa s TRP 25 Ca 0.26 -0.81 -0.01 0.00 1.22 0.00 0.00 56.10 56.77 1iwa s TRP 25 Cb 0.20 -1.75 0.19 0.00 -1.50 0.00 0.00 33.47 30.61 1iwa s TRP 25 CO 0.50 -0.28 0.87 1.21 -4.62 0.00 0.00 176.95 174.63 1iwa s ASN 26 N 0.23 -0.88 0.39 5.86 3.84 -1.17 -4.91 114.94 118.30 1iwa s ASN 26 Ca -0.13 -0.65 0.27 0.00 0.21 0.00 0.00 52.86 52.56 1iwa s ASN 26 Cb -0.16 1.14 1.41 0.00 -0.55 0.00 0.00 41.25 43.09 1iwa s ASN 26 CO 0.07 -0.08 1.82 1.55 -2.79 0.00 0.00 177.10 177.67 1iwa h PRO 27 N 5.63 0.00 -0.01 0.43 0.13 -1.77 -1.63 132.00 134.77 1iwa h PRO 27 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1iwa h PRO 27 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1iwa h PRO 27 CO -0.01 0.00 -0.25 -0.25 -0.23 0.00 0.00 178.00 177.26 1iwa n ASP 28 N -2.45 1.74 -4.64 1.44 10.43 -1.26 -4.88 116.55 116.93 1iwa n ASP 28 Ca -0.01 -1.37 -0.48 0.00 2.57 0.00 0.00 54.79 55.50 1iwa n ASP 28 Cb 0.07 0.21 -0.04 0.00 1.84 0.00 0.00 41.12 43.19 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 0.00 1.96 -3.18 1.24 9.36 -0.61 -4.93 117.16 121.00 1iwa n TYR 29 Ca 0.13 0.44 -0.43 0.00 3.32 0.00 0.00 57.90 61.36 1iwa n TYR 29 Cb 0.43 -2.45 -0.07 0.00 -0.63 0.00 0.00 39.34 36.62 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 0.42 3.32 0.42 2.98 -1.52 -1.26 -5.03 119.66 118.99 1iwa s GLN 30 Ca 0.78 -0.40 -0.27 0.00 -1.95 0.00 0.00 55.36 53.52 1iwa s GLN 30 Cb -0.76 -3.92 -0.09 0.00 -0.22 0.00 0.00 33.01 28.01 1iwa s GLN 30 CO 0.44 -0.89 1.44 0.08 -0.25 0.00 0.00 175.29 176.11 1iwa s VAL 31 N 2.57 2.10 0.11 1.09 1.01 -1.26 -5.02 120.40 121.01 1iwa s VAL 31 Ca 0.19 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.31 1iwa s VAL 31 Cb -0.15 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1iwa s VAL 31 CO 0.16 0.02 0.09 -0.54 0.00 0.00 0.00 175.10 174.83 1iwa s LYS 32 N -2.28 2.86 0.58 2.72 1.02 -1.26 -5.00 119.74 118.38 1iwa s LYS 32 Ca 0.57 -0.76 0.36 0.00 0.02 0.00 0.00 55.97 56.16 1iwa s LYS 32 Cb -0.44 -2.68 1.66 0.00 -0.52 0.00 0.00 37.83 35.84 1iwa s LYS 32 CO 0.59 0.54 2.10 -0.44 -0.92 0.00 0.00 175.35 177.21 1iwa h ASP 33 N 3.02 0.00 0.52 2.83 3.45 -2.02 -2.14 116.42 122.07 1iwa h ASP 33 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 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 0.64 0.02 -0.52 0.35 -1.57 0.00 0.00 179.24 178.16 1iwa n THR 34 N -3.13 0.02 -1.78 0.35 -2.24 -1.26 -4.41 114.28 101.82 1iwa n THR 34 Ca -0.01 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.43 1iwa n THR 34 Cb 0.24 0.23 0.04 0.00 -2.10 0.00 0.00 70.33 68.75 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 -3.08 5.16 -0.19 3.42 1.01 -0.81 -4.01 116.67 118.17 1iwa s ASP 35 Ca 0.11 1.99 -0.10 0.00 0.71 0.00 0.00 52.55 55.25 1iwa s ASP 35 Cb 0.17 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 1iwa s ASP 35 CO 0.70 -1.60 0.14 -0.69 0.21 0.00 0.00 175.17 173.93 1iwa s VAL 36 N -2.35 5.42 0.09 -1.27 1.01 0.09 -3.90 120.40 119.48 1iwa s VAL 36 Ca 0.67 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.92 1iwa s VAL 36 Cb -0.20 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1iwa s VAL 36 CO 0.41 0.46 -0.11 -0.76 0.00 0.00 0.00 175.10 175.10 1iwa s LEU 37 N 0.18 2.97 0.00 3.92 1.43 0.10 -0.69 118.68 126.60 1iwa s LEU 37 Ca 0.09 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1iwa s LEU 37 Cb -0.11 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1iwa s LEU 37 CO -0.01 0.19 0.01 0.00 0.23 0.00 0.00 176.35 176.77 1iwa s ALA 38 N -1.16 0.00 -0.19 4.21 0.00 -0.04 -0.42 121.76 124.16 1iwa s ALA 38 Ca 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 51.96 51.98 1iwa s ALA 38 Cb -0.11 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1iwa s ALA 38 CO 0.12 -0.07 -0.16 -1.17 0.00 0.00 0.00 175.76 174.49 1iwa s LEU 39 N -0.55 2.38 0.10 0.00 2.96 -0.41 -0.68 118.68 122.48 1iwa s LEU 39 Ca -0.06 -0.61 0.06 0.00 -0.22 0.00 0.00 54.13 53.29 1iwa s LEU 39 Cb -0.04 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 1iwa s LEU 39 CO -0.00 -0.01 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.62 1iwa s PHE 40 N 1.33 2.90 -0.60 5.38 0.08 -0.27 -1.13 117.98 125.67 1iwa s PHE 40 Ca 0.05 -0.07 -0.10 0.00 0.12 0.00 0.00 56.93 56.93 1iwa s PHE 40 Cb -0.14 -1.50 0.16 0.00 -0.57 0.00 0.00 43.02 40.97 1iwa s PHE 40 CO -0.10 0.46 0.49 0.50 -0.10 0.00 0.00 175.22 176.47 1iwa s ARG 41 N -2.29 2.84 0.08 0.44 3.52 0.31 -0.08 118.95 123.77 1iwa s ARG 41 Ca 0.24 -2.10 -0.18 0.00 -0.13 0.00 0.00 55.73 53.56 1iwa s ARG 41 Cb -0.11 -4.06 -0.07 0.00 -1.56 0.00 0.00 34.95 29.15 1iwa s ARG 41 CO 0.17 -1.23 0.56 0.08 -0.81 0.00 0.00 175.30 174.06 1iwa s VAL 42 N 0.79 4.77 -0.52 7.11 1.01 0.28 -2.65 120.40 131.19 1iwa s VAL 42 Ca 0.11 1.15 0.04 0.00 0.00 0.00 0.00 61.98 63.27 1iwa s VAL 42 Cb -0.21 -3.86 0.16 0.00 0.00 0.00 0.00 36.38 32.46 1iwa s VAL 42 CO -0.03 0.52 0.37 -0.89 0.00 0.00 0.00 175.10 175.06 1iwa s THR 43 N -1.15 1.48 0.51 3.92 2.01 -0.86 0.65 115.64 122.19 1iwa s THR 43 Ca 0.30 -3.17 -0.22 0.00 0.31 0.00 0.00 61.69 58.90 1iwa s THR 43 Cb -0.19 -2.00 -0.06 0.00 0.01 0.00 0.00 72.50 70.26 1iwa s THR 43 CO 0.19 -1.07 1.30 -2.16 -0.69 0.00 0.00 174.62 172.19 1iwa s PRO 44 N -0.37 3.40 0.57 4.92 0.04 -1.26 -1.63 135.00 140.68 1iwa s PRO 44 Ca 0.26 2.09 -0.21 0.00 0.04 0.00 0.00 61.00 63.18 1iwa s PRO 44 Cb -0.07 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1iwa s PRO 44 CO -0.13 -0.93 1.34 1.04 0.04 0.00 0.00 177.00 178.35 1iwa n GLN 45 N -0.76 1.55 -1.63 4.56 1.13 0.03 -4.59 117.38 117.68 1iwa n GLN 45 Ca 0.09 0.58 -0.47 0.00 -1.94 0.00 0.00 57.00 55.26 1iwa n GLN 45 Cb 0.46 -2.56 -0.03 0.00 0.11 0.00 0.00 30.24 28.22 1iwa n GLN 45 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1iwa n PRO 46 N -1.20 1.62 0.00 -1.09 -0.04 -1.26 -0.34 135.00 132.69 1iwa n PRO 46 Ca 0.12 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 1iwa n PRO 46 Cb 0.45 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 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 2.12 2.18 3.68 0.55 0.00 -1.26 -5.02 105.19 107.44 1iwa n GLY 47 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.30 5.02 0.03 1.61 1.01 0.54 -5.01 120.40 121.29 1iwa s VAL 48 Ca 0.00 1.30 -0.30 0.00 0.00 0.00 0.00 61.98 62.97 1iwa s VAL 48 Cb 0.00 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 1iwa s VAL 48 CO 0.00 0.15 1.78 -0.62 0.00 0.00 0.00 175.10 176.41 1iwa s ASP 49 N 1.04 6.55 0.31 3.32 3.68 -1.26 -4.74 116.67 125.57 1iwa s ASP 49 Ca 0.32 2.50 0.07 0.00 2.13 0.00 0.00 52.55 57.57 1iwa s ASP 49 Cb -0.16 -2.54 0.78 0.00 -1.45 0.00 0.00 42.92 39.55 1iwa s ASP 49 CO 0.12 -0.97 1.76 1.55 0.13 0.00 0.00 175.17 177.77 1iwa h PRO 50 N 9.48 0.69 -0.55 4.34 0.13 -1.96 0.15 132.00 144.29 1iwa h PRO 50 Ca -0.44 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 1iwa h PRO 50 Cb 1.21 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 1iwa h PRO 50 CO 0.94 0.46 0.17 0.82 -0.23 0.00 0.00 178.00 180.16 1iwa h ILE 51 N 0.71 1.24 -0.39 -3.56 2.04 -1.99 -0.80 117.51 114.76 1iwa h ILE 51 Ca 0.60 -0.80 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 1iwa h ILE 51 Cb 0.99 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1iwa h ILE 51 CO -0.41 0.30 0.03 -0.08 0.00 0.00 0.00 178.15 177.99 1iwa h GLU 52 N 0.77 0.67 -0.45 2.37 4.57 -1.36 -0.92 114.58 120.23 1iwa h GLU 52 Ca 0.18 -0.20 0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1iwa h GLU 52 Cb 0.28 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.75 1iwa h GLU 52 CO -0.01 0.75 0.16 0.00 -1.18 0.00 0.00 179.01 178.74 1iwa h ALA 53 N 0.90 0.55 0.11 2.92 0.00 -0.59 0.80 119.26 123.95 1iwa h ALA 53 Ca 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1iwa h ALA 53 Cb 0.42 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1iwa h ALA 53 CO 0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 179.25 178.99 1iwa h ALA 54 N 1.30 -0.15 -0.85 0.00 0.00 -0.97 -0.00 119.26 118.59 1iwa h ALA 54 Ca 0.21 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1iwa h ALA 54 Cb 0.21 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1iwa h ALA 54 CO -0.21 -0.58 0.56 0.00 0.00 0.00 0.00 179.25 179.01 1iwa h ALA 55 N 0.74 1.50 -0.37 0.00 0.00 -0.53 0.18 119.26 120.79 1iwa h ALA 55 Ca -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1iwa h ALA 55 Cb 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1iwa h ALA 55 CO 0.02 0.40 0.22 0.00 0.00 0.00 0.00 179.25 179.90 1iwa h ALA 56 N 1.51 0.46 -0.66 0.00 0.00 0.15 0.11 119.26 120.83 1iwa h ALA 56 Ca 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1iwa h ALA 56 Cb 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1iwa h ALA 56 CO -0.11 -0.12 0.32 0.28 0.00 0.00 0.00 179.25 179.61 1iwa h VAL 57 N 0.44 1.22 -0.25 0.00 2.07 0.12 -1.68 116.25 118.17 1iwa h VAL 57 Ca 0.14 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1iwa h VAL 57 Cb -0.00 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1iwa h VAL 57 CO -0.06 0.26 0.14 0.00 0.02 0.00 0.00 177.57 177.92 1iwa h ALA 58 N 1.14 0.33 -0.14 1.67 0.00 -0.32 -2.57 119.26 119.37 1iwa h ALA 58 Ca 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1iwa h ALA 58 Cb 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1iwa h ALA 58 CO -0.03 -0.14 -0.03 0.78 0.00 0.00 0.00 179.25 179.83 1iwa h GLY 59 N 0.29 0.29 2.00 0.00 0.00 -0.66 -3.07 103.07 101.93 1iwa h GLY 59 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1iwa h GLY 59 CO -0.01 0.22 0.00 0.83 0.00 0.00 0.00 176.54 177.57 1iwa h GLU 60 N -0.03 0.00 -0.63 4.80 4.39 -1.34 -0.64 114.58 121.12 1iwa h GLU 60 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1iwa h GLU 60 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1iwa h GLU 60 CO 0.01 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.73 1iwa n SER 61 N -2.91 4.73 0.00 1.42 3.41 -0.97 -4.74 113.62 114.56 1iwa n SER 61 Ca -0.00 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.14 1iwa n SER 61 Cb 0.21 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 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 1.05 0.00 0.00 4.04 3.41 -0.77 -4.46 113.62 116.90 1iwa n SER 62 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1iwa n SER 62 Cb 0.89 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 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 -0.83 0.00 -1.35 6.66 -2.24 -1.03 -5.02 114.28 110.47 1iwa n THR 63 Ca 0.00 -0.11 -0.29 0.00 -2.27 0.00 0.00 64.05 61.38 1iwa n THR 63 Cb 0.00 0.89 0.19 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.27 1.24 0.23 6.98 0.00 -0.32 -5.03 121.76 124.58 1iwa s ALA 64 Ca 0.00 -0.73 -0.21 0.00 0.00 0.00 0.00 51.96 51.03 1iwa s ALA 64 Cb 0.00 -2.97 0.04 0.00 0.00 0.00 0.00 23.12 20.19 1iwa s ALA 64 CO 0.00 -2.88 0.64 -0.08 0.00 0.00 0.00 175.76 173.44 1iwa s THR 65 N -3.20 0.00 0.67 0.00 -1.32 -1.26 -4.64 115.64 105.89 1iwa s THR 65 Ca 0.68 -0.68 0.35 0.00 -1.21 0.00 0.00 61.69 60.83 1iwa s THR 65 Cb -0.13 -1.64 0.35 0.00 -1.51 0.00 0.00 72.50 69.58 1iwa s THR 65 CO 0.55 -0.02 2.09 4.11 -2.21 0.00 0.00 174.62 179.14 1iwa h TRP 66 N 2.04 0.00 -3.81 9.09 5.08 -1.99 -3.43 115.95 122.94 1iwa h TRP 66 Ca -0.25 0.00 -0.25 0.00 1.08 0.00 0.00 58.89 59.47 1iwa h TRP 66 Cb 1.27 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 27.28 1iwa h TRP 66 CO 0.36 0.00 -0.68 -0.08 -1.28 0.00 0.00 178.44 176.75 1iwa s THR 67 N -4.11 0.68 0.21 0.12 -1.32 -1.26 -4.69 115.64 105.26 1iwa s THR 67 Ca -0.04 -1.95 -0.30 0.00 -1.21 0.00 0.00 61.69 58.19 1iwa s THR 67 Cb 0.10 -1.85 -0.08 0.00 -1.51 0.00 0.00 72.50 69.16 1iwa s THR 67 CO 0.32 -0.72 1.15 -0.69 -2.21 0.00 0.00 174.62 172.47 1iwa s VAL 68 N -3.64 3.62 -0.09 5.08 1.01 -0.99 -5.01 120.40 120.39 1iwa s VAL 68 Ca 0.17 1.43 0.01 0.00 0.00 0.00 0.00 61.98 63.59 1iwa s VAL 68 Cb 0.06 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1iwa s VAL 68 CO -0.01 0.26 -0.11 0.68 0.00 0.00 0.00 175.10 175.91 1iwa s VAL 69 N -0.36 1.19 0.22 2.92 -7.23 -1.26 -4.49 120.40 111.38 1iwa s VAL 69 Ca 0.50 -0.46 0.35 0.00 -1.81 0.00 0.00 61.98 60.56 1iwa s VAL 69 Cb -0.32 -1.12 0.38 0.00 0.56 0.00 0.00 36.38 35.88 1iwa s VAL 69 CO 0.37 0.38 2.07 4.11 -0.31 0.00 0.00 175.10 181.72 1iwa h TRP 70 N 7.48 0.00 0.00 2.82 5.08 -1.97 -2.92 115.95 126.43 1iwa h TRP 70 Ca -0.31 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.66 1iwa h TRP 70 Cb 1.17 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.33 1iwa h TRP 70 CO 0.48 0.00 0.00 0.25 -1.28 0.00 0.00 178.44 177.89 1iwa n THR 71 N -2.88 1.86 -0.34 0.12 -2.24 -1.26 -1.20 114.28 108.34 1iwa n THR 71 Ca -0.01 0.49 -0.04 0.00 -2.27 0.00 0.00 64.05 62.22 1iwa n THR 71 Cb 0.17 -1.47 0.09 0.00 -2.10 0.00 0.00 70.33 67.02 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 1.13 0.00 3.42 3.32 -1.89 -2.59 116.42 119.80 1iwa h ASP 72 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1iwa h ASP 72 Cb 0.02 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1iwa h ASP 72 CO 0.00 0.89 0.15 0.18 -1.72 0.00 0.00 179.24 178.75 1iwa n LEU 73 N -4.34 0.00 -1.20 1.55 7.99 -0.34 0.34 117.00 120.99 1iwa n LEU 73 Ca 0.10 0.32 0.12 0.00 -0.01 0.00 0.00 56.01 56.54 1iwa n LEU 73 Cb 0.09 -0.32 0.24 0.00 -0.11 0.00 0.00 43.42 43.31 1iwa n LEU 73 CO 0.39 -0.32 0.72 0.18 -1.51 0.00 0.00 177.39 176.84 1iwa n LEU 74 N -1.32 3.57 -4.19 2.23 4.77 -0.98 -4.94 117.00 116.15 1iwa n LEU 74 Ca 0.00 -1.58 -0.11 0.00 -0.03 0.00 0.00 56.01 54.28 1iwa n LEU 74 Cb 0.15 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 40.85 1iwa n LEU 74 CO 0.00 0.79 -0.39 0.42 -1.33 0.00 0.00 177.39 176.88 1iwa s THR 75 N -1.41 0.79 -1.34 -5.08 -4.23 0.15 -5.02 115.64 99.51 1iwa s THR 75 Ca 0.41 -1.95 -0.09 0.00 -1.18 0.00 0.00 61.69 58.88 1iwa s THR 75 Cb 0.23 -1.71 -0.10 0.00 1.34 0.00 0.00 72.50 72.27 1iwa s THR 75 CO 0.32 -0.84 2.87 0.00 -0.54 0.00 0.00 174.62 176.43 1iwa n ALA 76 N -0.06 6.92 -0.31 3.99 0.00 -1.26 -4.67 120.51 125.13 1iwa n ALA 76 Ca -0.12 -3.07 0.20 0.00 0.00 0.00 0.00 53.44 50.45 1iwa n ALA 76 Cb 0.61 -3.20 0.48 0.00 0.00 0.00 0.00 19.45 17.34 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 5.04 2.15 -0.18 0.00 0.00 -1.96 0.37 119.26 124.68 1iwa h ALA 77 Ca 0.74 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.73 1iwa h ALA 77 Cb 0.38 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1iwa h ALA 77 CO 1.57 -0.51 0.12 -0.44 0.00 0.00 0.00 179.25 179.98 1iwa h ASP 78 N 0.45 0.11 0.51 0.00 5.19 -1.94 -0.03 116.42 120.70 1iwa h ASP 78 Ca 0.56 -0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.71 1iwa h ASP 78 Cb 1.33 -0.03 -0.05 0.00 0.18 0.00 0.00 39.33 40.77 1iwa h ASP 78 CO -0.28 0.08 -1.68 -0.11 -3.12 0.00 0.00 179.24 174.13 1iwa n LEU 79 N -4.50 0.80 0.07 1.55 -0.00 0.06 -4.28 117.00 110.69 1iwa n LEU 79 Ca 0.00 0.37 -0.04 0.00 -0.00 0.00 0.00 56.01 56.35 1iwa n LEU 79 Cb 0.16 0.17 -0.08 0.00 -0.00 0.00 0.00 43.42 43.67 1iwa n LEU 79 CO 0.35 0.33 0.08 1.88 -0.00 0.00 0.00 177.39 180.02 1iwa h TYR 80 N 0.00 0.00 -3.33 1.96 0.05 -0.86 -3.42 116.97 111.37 1iwa h TYR 80 Ca -0.27 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 57.99 1iwa h TYR 80 Cb 1.91 0.00 0.05 0.00 1.01 0.00 0.00 36.73 39.70 1iwa h TYR 80 CO 0.00 0.80 0.73 1.03 -1.05 0.00 0.00 178.16 179.66 1iwa s ARG 81 N -2.80 4.31 0.57 4.88 0.52 -0.07 -4.65 118.95 121.71 1iwa s ARG 81 Ca 0.00 2.20 -0.14 0.00 -0.52 0.00 0.00 55.73 57.27 1iwa s ARG 81 Cb 0.09 -3.15 -0.06 0.00 0.52 0.00 0.00 34.95 32.35 1iwa s ARG 81 CO 0.80 -0.37 1.01 0.00 0.02 0.00 0.00 175.30 176.76 1iwa s ALA 82 N 0.16 3.02 -0.10 2.13 0.00 -1.26 -4.86 121.76 120.85 1iwa s ALA 82 Ca 0.59 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.68 1iwa s ALA 82 Cb -0.40 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1iwa s ALA 82 CO 0.40 -0.49 -0.14 0.15 0.00 0.00 0.00 175.76 175.68 1iwa s LYS 83 N -4.47 2.09 -0.88 0.00 -0.14 -0.90 -4.28 119.74 111.16 1iwa s LYS 83 Ca 0.58 -0.51 -0.23 0.00 -1.36 0.00 0.00 55.97 54.45 1iwa s LYS 83 Cb -0.11 -1.80 0.06 0.00 -1.68 0.00 0.00 37.83 34.30 1iwa s LYS 83 CO 0.40 -0.08 1.27 0.00 -0.76 0.00 0.00 175.35 176.18 1iwa s ALA 84 N 1.03 2.92 -0.89 5.17 0.00 0.41 -1.54 121.76 128.86 1iwa s ALA 84 Ca -0.06 -2.09 0.26 0.00 0.00 0.00 0.00 51.96 50.08 1iwa s ALA 84 Cb -0.15 -4.26 0.78 0.00 0.00 0.00 0.00 23.12 19.49 1iwa s ALA 84 CO -0.02 -3.28 1.64 2.48 0.00 0.00 0.00 175.76 176.58 1iwa n TYR 85 N 8.35 0.24 -3.66 0.00 4.11 -0.77 -3.03 117.16 122.40 1iwa n TYR 85 Ca 0.18 0.07 -0.10 0.00 -0.00 0.00 0.00 57.90 58.06 1iwa n TYR 85 Cb 0.49 -0.52 -0.08 0.00 -0.00 0.00 0.00 39.34 39.23 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 -3.05 0.65 -0.03 -3.48 2.20 -1.19 -4.14 119.74 110.71 1iwa s LYS 86 Ca 0.11 1.04 0.01 0.00 -0.36 0.00 0.00 55.97 56.77 1iwa s LYS 86 Cb 0.16 0.16 0.02 0.00 -1.51 0.00 0.00 37.83 36.66 1iwa s LYS 86 CO 0.63 -0.14 -0.03 0.08 -0.36 0.00 0.00 175.35 175.53 1iwa s VAL 87 N 1.24 0.41 -0.09 4.02 1.01 -1.26 0.20 120.40 125.93 1iwa s VAL 87 Ca -0.07 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 1iwa s VAL 87 Cb -0.06 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 35.92 1iwa s VAL 87 CO -0.13 0.17 0.24 -1.81 0.00 0.00 0.00 175.10 173.58 1iwa s ASP 88 N 0.66 -0.25 0.90 3.32 1.11 -0.70 -4.99 116.67 116.72 1iwa s ASP 88 Ca -0.08 0.49 -0.11 0.00 0.18 0.00 0.00 52.55 53.04 1iwa s ASP 88 Cb -0.11 0.50 0.14 0.00 1.07 0.00 0.00 42.92 44.51 1iwa s ASP 88 CO -0.00 -0.09 1.15 1.67 1.18 0.00 0.00 175.17 179.08 1iwa n GLN 89 N 2.95 -0.36 -2.98 8.23 7.27 -1.26 -0.34 117.38 130.90 1iwa n GLN 89 Ca -0.13 -0.03 -0.40 0.00 0.07 0.00 0.00 57.00 56.50 1iwa n GLN 89 Cb 0.58 -2.39 -0.04 0.00 2.41 0.00 0.00 30.24 30.80 1iwa n GLN 89 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1iwa s VAL 90 N -2.55 4.98 0.00 1.69 1.01 -0.15 -4.60 120.40 120.78 1iwa s VAL 90 Ca 0.68 1.51 0.00 0.00 0.00 0.00 0.00 61.98 64.18 1iwa s VAL 90 Cb -0.24 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1iwa s VAL 90 CO 0.57 0.15 0.00 -2.65 0.00 0.00 0.00 175.10 173.17 1iwa n PRO 91 N 4.43 0.00 -0.57 2.72 -0.02 -1.26 -0.42 135.00 139.88 1iwa n PRO 91 Ca 0.01 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.55 1iwa n PRO 91 Cb 0.50 0.00 0.12 0.00 -0.02 0.00 0.00 33.50 34.11 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 -3.60 1.53 -3.47 2.55 5.03 -1.26 -4.96 115.26 111.08 1iwa n ASN 92 Ca 0.00 -3.03 -0.23 0.00 0.87 0.00 0.00 54.58 52.18 1iwa n ASN 92 Cb 0.00 -0.41 -0.12 0.00 -1.02 0.00 0.00 39.78 38.23 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 -2.58 2.59 0.00 6.41 3.84 0.44 -4.98 114.94 120.67 1iwa s ASN 93 Ca 0.30 -1.12 0.10 0.00 0.21 0.00 0.00 52.86 52.35 1iwa s ASN 93 Cb 0.29 0.06 0.55 0.00 -0.55 0.00 0.00 41.25 41.60 1iwa s ASN 93 CO -0.05 -0.40 1.07 -0.81 -2.79 0.00 0.00 177.10 174.13 1iwa n PRO 94 N 5.17 0.25 0.03 0.43 -0.04 -1.26 -1.85 135.00 137.73 1iwa n PRO 94 Ca -0.03 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.60 1iwa n PRO 94 Cb 0.44 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 1iwa n PRO 94 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1iwa n GLU 95 N -1.09 0.64 -4.22 0.54 1.02 -1.26 -4.95 120.64 111.32 1iwa n GLU 95 Ca 0.06 -0.07 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1iwa n GLU 95 Cb 0.05 -1.64 -0.10 0.00 -0.02 0.00 0.00 31.44 29.73 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 -3.44 2.16 -0.00 3.49 -0.21 -0.77 -4.06 119.66 116.83 1iwa s GLN 96 Ca -0.05 -1.02 0.00 0.00 0.02 0.00 0.00 55.36 54.31 1iwa s GLN 96 Cb 0.12 -2.32 0.00 0.00 1.00 0.00 0.00 33.01 31.82 1iwa s GLN 96 CO 0.86 0.51 -0.00 0.71 -2.12 0.00 0.00 175.29 175.24 1iwa s TYR 97 N -1.25 0.08 -0.08 0.91 1.51 0.21 -0.98 117.35 117.75 1iwa s TYR 97 Ca 0.22 0.00 -0.21 0.00 -1.01 0.00 0.00 57.07 56.07 1iwa s TYR 97 Cb -0.11 -0.09 -0.04 0.00 -0.11 0.00 0.00 41.96 41.61 1iwa s TYR 97 CO 0.14 -0.02 0.61 -0.06 -1.11 0.00 0.00 175.55 175.12 1iwa s PHE 98 N 0.16 3.56 -0.11 2.71 0.08 0.54 0.99 117.98 125.91 1iwa s PHE 98 Ca -0.01 1.12 0.01 0.00 0.12 0.00 0.00 56.93 58.17 1iwa s PHE 98 Cb -0.03 -2.70 0.02 0.00 -0.57 0.00 0.00 43.02 39.74 1iwa s PHE 98 CO -0.00 0.14 -0.14 0.00 -0.10 0.00 0.00 175.22 175.12 1iwa s ALA 99 N 0.65 1.65 -0.12 5.36 0.00 0.88 -1.72 121.76 128.46 1iwa s ALA 99 Ca 0.33 -0.72 -0.19 0.00 0.00 0.00 0.00 51.96 51.38 1iwa s ALA 99 Cb -0.17 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1iwa s ALA 99 CO 0.15 -0.17 0.52 0.71 0.00 0.00 0.00 175.76 176.97 1iwa s TYR 100 N 1.16 3.51 -0.02 0.00 1.51 0.13 -1.11 117.35 122.53 1iwa s TYR 100 Ca -0.03 0.94 0.04 0.00 -1.01 0.00 0.00 57.07 57.00 1iwa s TYR 100 Cb -0.14 -2.61 -0.01 0.00 -0.11 0.00 0.00 41.96 39.09 1iwa s TYR 100 CO -0.04 0.12 -0.13 0.42 -1.11 0.00 0.00 175.55 174.81 1iwa s ILE 101 N 0.77 1.06 -0.07 2.71 1.01 0.15 -1.85 121.20 124.97 1iwa s ILE 101 Ca 0.28 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.40 1iwa s ILE 101 Cb -0.16 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 1iwa s ILE 101 CO 0.11 0.30 -0.14 0.00 0.00 0.00 0.00 174.94 175.22 1iwa s ALA 102 N -0.20 2.67 -0.02 9.38 0.00 -0.59 -0.86 121.76 132.14 1iwa s ALA 102 Ca 0.03 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.09 1iwa s ALA 102 Cb -0.06 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 1iwa s ALA 102 CO -0.00 0.49 -0.19 0.71 0.00 0.00 0.00 175.76 176.78 1iwa s TYR 103 N -0.51 1.66 0.34 0.00 1.51 0.14 -2.13 117.35 118.36 1iwa s TYR 103 Ca 0.07 -0.32 -0.28 0.00 -1.01 0.00 0.00 57.07 55.53 1iwa s TYR 103 Cb -0.12 -1.07 -0.10 0.00 -0.11 0.00 0.00 41.96 40.56 1iwa s TYR 103 CO 0.02 -0.03 1.23 -2.00 -1.11 0.00 0.00 175.55 173.66 1iwa s GLU 104 N -0.42 4.32 0.17 -0.62 2.56 -1.26 -0.73 118.70 122.71 1iwa s GLU 104 Ca 0.07 2.05 -0.15 0.00 0.00 0.00 0.00 54.97 56.93 1iwa s GLU 104 Cb -0.07 -2.99 0.10 0.00 2.00 0.00 0.00 34.13 33.17 1iwa s GLU 104 CO -0.01 -0.15 1.74 1.25 -0.56 0.00 0.00 175.26 177.53 1iwa h LEU 105 N 3.26 0.08 0.00 2.70 6.46 -1.93 -2.19 115.31 123.69 1iwa h LEU 105 Ca -0.48 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.33 1iwa h LEU 105 Cb 1.23 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.22 1iwa h LEU 105 CO 0.65 0.08 0.08 0.47 -0.62 0.00 0.00 178.44 179.10 1iwa n ASP 106 N -5.05 0.00 0.17 1.25 9.92 -1.26 -1.23 116.55 120.35 1iwa n ASP 106 Ca 0.03 0.34 0.13 0.00 -0.53 0.00 0.00 54.79 54.75 1iwa n ASP 106 Cb 0.17 -0.34 0.29 0.00 -0.64 0.00 0.00 41.12 40.60 1iwa n ASP 106 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1iwa h LEU 107 N 0.00 0.00 -9.42 0.64 3.38 -1.78 -3.46 115.31 104.68 1iwa h LEU 107 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 1iwa h LEU 107 Cb 0.16 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.78 1iwa h LEU 107 CO 0.00 0.00 -0.63 -0.36 0.09 0.00 0.00 178.44 177.54 1iwa s PHE 108 N -3.17 3.11 -0.09 1.13 0.08 -0.36 -5.05 117.98 113.62 1iwa s PHE 108 Ca 0.08 0.10 -0.26 0.00 0.12 0.00 0.00 56.93 56.97 1iwa s PHE 108 Cb 0.08 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.84 1iwa s PHE 108 CO 0.63 0.48 0.85 -2.00 -0.10 0.00 0.00 175.22 175.09 1iwa s GLU 109 N -1.65 4.41 0.17 0.44 2.12 -1.26 -4.98 118.70 117.95 1iwa s GLU 109 Ca 0.21 1.12 -0.33 0.00 0.36 0.00 0.00 54.97 56.33 1iwa s GLU 109 Cb -0.12 -3.51 -0.15 0.00 0.26 0.00 0.00 34.13 30.61 1iwa s GLU 109 CO 0.12 -0.16 1.24 0.39 -0.54 0.00 0.00 175.26 176.31 1iwa n GLU 110 N 4.51 1.34 -2.39 4.30 4.71 -1.26 -2.61 120.64 129.23 1iwa n GLU 110 Ca 0.04 0.48 -0.18 0.00 -0.01 0.00 0.00 57.16 57.49 1iwa n GLU 110 Cb 0.50 -2.03 -0.01 0.00 -1.01 0.00 0.00 31.44 28.89 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 2.16 -0.44 3.01 0.62 0.00 -1.22 -4.98 105.19 104.33 1iwa n GLY 111 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.05 4.15 0.29 1.61 0.15 -1.07 -4.94 113.70 111.83 1iwa s SER 112 Ca 0.00 -1.28 0.09 0.00 0.70 0.00 0.00 55.95 55.45 1iwa s SER 112 Cb 0.00 -1.38 0.42 0.00 -1.71 0.00 0.00 66.02 63.36 1iwa s SER 112 CO 0.00 -0.21 1.66 0.40 1.20 0.00 0.00 173.24 176.29 1iwa h ILE 113 N 6.71 1.37 -0.04 6.45 1.08 -1.94 -2.40 117.51 128.74 1iwa h ILE 113 Ca -0.19 -1.79 -0.00 0.00 -0.39 0.00 0.00 64.86 62.48 1iwa h ILE 113 Cb 1.06 1.92 -0.00 0.00 -3.07 0.00 0.00 36.82 36.73 1iwa h ILE 113 CO 0.44 0.52 0.01 0.00 -0.69 0.00 0.00 178.15 178.43 1iwa h ALA 114 N 1.38 0.05 -0.77 1.87 0.00 -1.93 -2.10 119.26 117.77 1iwa h ALA 114 Ca -0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1iwa h ALA 114 Cb 0.95 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1iwa h ALA 114 CO 0.07 -0.32 0.34 -0.97 0.00 0.00 0.00 179.25 178.37 1iwa h ASN 115 N -0.16 1.03 -0.18 0.00 -0.73 -1.90 0.13 115.58 113.79 1iwa h ASN 115 Ca 0.01 -0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.03 1iwa h ASN 115 Cb 0.24 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 1iwa h ASN 115 CO 0.00 0.90 0.11 0.25 -0.37 0.00 0.00 177.43 178.32 1iwa h LEU 116 N 1.10 0.21 -0.52 0.34 5.85 -1.37 -2.97 115.31 117.95 1iwa h LEU 116 Ca 0.26 -0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.79 1iwa h LEU 116 Cb 0.17 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1iwa h LEU 116 CO -0.03 0.19 -0.46 0.71 -0.34 0.00 0.00 178.44 178.51 1iwa h THR 117 N 0.21 1.30 -0.98 1.05 1.35 -1.21 -1.86 112.91 112.77 1iwa h THR 117 Ca 0.06 -1.65 0.23 0.00 -0.55 0.00 0.00 66.41 64.50 1iwa h THR 117 Cb 0.01 1.58 -0.08 0.00 -1.73 0.00 0.00 68.15 67.94 1iwa h THR 117 CO -0.01 0.53 0.64 0.00 -0.25 0.00 0.00 175.52 176.42 1iwa h ALA 118 N 0.94 2.19 0.00 6.62 0.00 -0.60 0.10 119.26 128.52 1iwa h ALA 118 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1iwa h ALA 118 Cb 1.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1iwa h ALA 118 CO 0.09 -0.54 -0.04 0.77 0.00 0.00 0.00 179.25 179.53 1iwa h SER 119 N 0.42 0.00 -0.69 0.00 0.02 -1.36 -2.63 113.55 109.31 1iwa h SER 119 Ca 0.53 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 61.63 1iwa h SER 119 Cb 1.32 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.73 1iwa h SER 119 CO -0.24 0.12 -0.14 0.40 -1.14 0.00 0.00 176.83 175.83 1iwa h ILE 120 N -0.20 0.33 -0.28 3.27 1.08 -1.23 -2.56 117.51 117.92 1iwa h ILE 120 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1iwa h ILE 120 Cb 0.04 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 1iwa h ILE 120 CO 0.00 0.00 0.00 2.30 -0.69 0.00 0.00 178.15 179.76 1iwa n ILE 121 N -5.43 1.60 0.00 -0.67 -5.35 0.33 -4.78 119.36 105.06 1iwa n ILE 121 Ca 0.09 -1.43 -0.00 0.00 -0.27 0.00 0.00 62.75 61.14 1iwa n ILE 121 Cb 0.37 0.14 -0.00 0.00 -1.74 0.00 0.00 39.64 38.41 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 1.79 -1.43 0.00 3.28 0.00 -1.06 -3.43 103.07 102.23 1iwa h GLY 122 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 47.33 47.94 1iwa h GLY 122 CO 0.10 -0.54 -0.85 0.70 0.00 0.00 0.00 176.54 175.95 1iwa n ASN 123 N -2.52 4.22 -0.42 0.19 3.02 -1.26 -4.83 115.26 113.65 1iwa n ASN 123 Ca -0.00 0.00 0.39 0.00 -0.03 0.00 0.00 54.58 54.94 1iwa n ASN 123 Cb 0.00 0.41 0.60 0.00 -0.61 0.00 0.00 39.78 40.18 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 0.00 0.00 2.41 -1.51 -1.85 0.38 116.25 115.68 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 0.85 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.01 1iwa h VAL 124 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 1iwa n PHE 125 N -3.53 0.19 -0.05 5.19 3.01 -1.26 -3.46 117.46 117.55 1iwa n PHE 125 Ca 0.32 0.06 0.05 0.00 1.01 0.00 0.00 57.45 58.89 1iwa n PHE 125 Cb 1.74 -0.59 0.13 0.00 -0.01 0.00 0.00 39.48 40.75 1iwa n PHE 125 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iwa n GLY 126 N 1.44 2.16 3.72 1.37 0.00 0.13 -4.87 105.19 109.15 1iwa n GLY 126 Ca 0.07 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.98 3.13 0.19 1.61 5.36 -1.22 -4.94 117.98 121.13 1iwa s PHE 127 Ca 0.21 0.87 -0.11 0.00 -0.96 0.00 0.00 56.93 56.93 1iwa s PHE 127 Cb 0.11 -3.79 0.11 0.00 -0.34 0.00 0.00 43.02 39.10 1iwa s PHE 127 CO 0.15 -2.78 1.79 0.87 -1.46 0.00 0.00 175.22 173.79 1iwa h LYS 128 N 6.32 0.93 0.00 10.12 1.57 -1.94 -2.69 116.57 130.87 1iwa h LYS 128 Ca -0.43 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1iwa h LYS 128 Cb 1.21 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1iwa h LYS 128 CO 0.86 0.71 0.00 0.00 -0.57 0.00 0.00 179.45 180.45 1iwa h ALA 129 N 1.17 1.00 -2.93 3.86 0.00 -1.99 -3.36 119.26 116.99 1iwa h ALA 129 Ca 0.23 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.43 1iwa h ALA 129 Cb 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.54 1iwa h ALA 129 CO -0.03 0.00 -0.38 0.08 0.00 0.00 0.00 179.25 178.91 1iwa s VAL 130 N -3.69 3.94 0.31 0.00 1.01 -1.02 -0.79 120.40 120.17 1iwa s VAL 130 Ca -0.02 -2.25 0.08 0.00 0.00 0.00 0.00 61.98 59.80 1iwa s VAL 130 Cb 0.09 -3.60 0.31 0.00 0.00 0.00 0.00 36.38 33.18 1iwa s VAL 130 CO 0.33 -0.80 1.72 0.50 0.00 0.00 0.00 175.10 176.84 1iwa h LYS 131 N 7.89 0.52 -3.02 2.72 3.64 -1.46 -3.44 116.57 123.42 1iwa h LYS 131 Ca -0.11 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.15 1iwa h LYS 131 Cb 1.03 -0.12 -0.17 0.00 -0.41 0.00 0.00 32.23 32.56 1iwa h LYS 131 CO 0.77 0.34 -0.14 0.00 -2.27 0.00 0.00 179.45 178.15 1iwa s ALA 132 N -5.80 -0.95 -0.07 5.00 0.00 -0.95 -5.03 121.76 113.96 1iwa s ALA 132 Ca -0.11 0.31 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 1iwa s ALA 132 Cb 0.27 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.70 1iwa s ALA 132 CO 0.79 -0.41 0.40 -1.17 0.00 0.00 0.00 175.76 175.37 1iwa s LEU 133 N -1.85 0.48 -0.17 0.00 2.96 -1.21 -2.03 118.68 116.85 1iwa s LEU 133 Ca -0.07 0.46 -0.07 0.00 -0.22 0.00 0.00 54.13 54.22 1iwa s LEU 133 Cb -0.02 1.50 0.07 0.00 0.50 0.00 0.00 46.19 48.25 1iwa s LEU 133 CO -0.01 -0.35 0.39 -0.60 -1.32 0.00 0.00 176.35 174.46 1iwa s ARG 134 N -0.72 0.32 -0.37 1.98 3.52 -1.08 -0.73 118.95 121.86 1iwa s ARG 134 Ca -0.08 0.88 -0.29 0.00 -0.13 0.00 0.00 55.73 56.11 1iwa s ARG 134 Cb -0.04 0.12 0.02 0.00 -1.56 0.00 0.00 34.95 33.50 1iwa s ARG 134 CO 0.04 -0.21 1.09 -1.17 -0.81 0.00 0.00 175.30 174.23 1iwa s LEU 135 N 2.04 3.84 -0.14 -0.88 2.96 -0.64 -0.53 118.68 125.32 1iwa s LEU 135 Ca -0.05 0.83 -0.06 0.00 -0.22 0.00 0.00 54.13 54.64 1iwa s LEU 135 Cb -0.10 -3.53 -0.25 0.00 0.50 0.00 0.00 46.19 42.81 1iwa s LEU 135 CO -0.12 -1.00 0.26 -0.62 -1.32 0.00 0.00 176.35 173.55 1iwa n GLU 136 N 7.18 0.74 -3.60 1.98 -0.58 -0.28 -1.03 120.64 125.05 1iwa n GLU 136 Ca 0.12 0.25 -0.09 0.00 -0.42 0.00 0.00 57.16 57.02 1iwa n GLU 136 Cb 0.48 -1.68 -0.02 0.00 -0.57 0.00 0.00 31.44 29.65 1iwa n GLU 136 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1iwa s ASP 137 N -6.96 -0.39 0.03 1.62 2.15 -1.21 -4.61 116.67 107.30 1iwa s ASP 137 Ca -0.25 -0.21 -0.00 0.00 0.43 0.00 0.00 52.55 52.52 1iwa s ASP 137 Cb 0.07 0.57 -0.03 0.00 -0.30 0.00 0.00 42.92 43.23 1iwa s ASP 137 CO 0.74 -0.98 -0.03 -0.04 -0.17 0.00 0.00 175.17 174.68 1iwa s MET 138 N -3.59 0.43 -0.31 4.34 -1.94 -1.26 -1.29 119.30 115.67 1iwa s MET 138 Ca 0.06 -0.84 0.01 0.00 -1.71 0.00 0.00 55.69 53.21 1iwa s MET 138 Cb -0.02 0.13 0.08 0.00 2.01 0.00 0.00 34.83 37.02 1iwa s MET 138 CO -0.05 -0.07 0.01 0.50 -0.01 0.00 0.00 175.02 175.40 1iwa s ARG 139 N -2.38 2.05 -0.32 2.03 3.00 0.44 -4.87 118.95 118.92 1iwa s ARG 139 Ca -0.07 -1.54 -0.18 0.00 -1.00 0.00 0.00 55.73 52.95 1iwa s ARG 139 Cb -0.03 -3.15 -0.01 0.00 0.00 0.00 0.00 34.95 31.75 1iwa s ARG 139 CO -0.04 -0.76 0.49 -0.51 0.00 0.00 0.00 175.30 174.49 1iwa s LEU 140 N 1.09 4.23 0.58 -0.88 1.43 -1.26 -0.72 118.68 123.16 1iwa s LEU 140 Ca -0.00 0.15 -0.20 0.00 -1.03 0.00 0.00 54.13 53.04 1iwa s LEU 140 Cb -0.20 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 1iwa s LEU 140 CO -0.05 -0.39 1.24 -0.81 0.23 0.00 0.00 176.35 176.57 1iwa n PRO 141 N 5.64 1.34 -0.16 1.29 -0.04 -1.25 -4.77 135.00 137.04 1iwa n PRO 141 Ca -0.05 0.51 -0.02 0.00 -0.04 0.00 0.00 63.50 63.89 1iwa n PRO 141 Cb 0.49 -2.45 0.07 0.00 -0.04 0.00 0.00 33.50 31.58 1iwa n PRO 141 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1iwa h LEU 142 N 0.99 0.07 -2.04 1.53 5.85 -1.88 -0.39 115.31 119.43 1iwa h LEU 142 Ca -0.50 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1iwa h LEU 142 Cb 1.33 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 1iwa h LEU 142 CO 0.55 0.06 -0.03 0.00 -0.34 0.00 0.00 178.44 178.68 1iwa h ALA 143 N 1.38 1.83 0.03 1.25 0.00 -1.91 -0.78 119.26 121.05 1iwa h ALA 143 Ca 0.26 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1iwa h ALA 143 Cb 0.33 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1iwa h ALA 143 CO -0.31 0.04 -0.28 -0.92 0.00 0.00 0.00 179.25 177.78 1iwa h TYR 144 N 0.00 0.23 -0.91 0.00 3.20 -1.56 -3.32 116.97 114.62 1iwa h TYR 144 Ca -0.00 -0.14 0.15 0.00 3.14 0.00 0.00 58.73 61.87 1iwa h TYR 144 Cb 0.06 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.24 1iwa h TYR 144 CO 0.00 1.02 0.58 -0.07 -1.64 0.00 0.00 178.16 178.05 1iwa h LEU 145 N -0.62 0.67 -1.32 2.82 4.07 -0.46 -0.65 115.31 119.82 1iwa h LEU 145 Ca -0.04 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1iwa h LEU 145 Cb 1.12 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1iwa h LEU 145 CO 0.05 0.34 0.00 0.11 -1.08 0.00 0.00 178.44 177.86 1iwa h LYS 146 N 0.71 0.00 -0.03 1.13 1.79 -1.26 -1.61 116.57 117.29 1iwa h LYS 146 Ca 0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 1iwa h LYS 146 Cb 0.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1iwa h LYS 146 CO -0.22 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 178.40 1iwa n THR 147 N -2.36 0.03 -4.12 -0.16 -2.24 -0.25 -4.87 114.28 100.31 1iwa n THR 147 Ca -0.00 -0.23 -0.22 0.00 -2.27 0.00 0.00 64.05 61.33 1iwa n THR 147 Cb 0.12 0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 68.65 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 -1.97 3.05 0.01 4.78 0.40 -0.61 -3.46 117.98 120.19 1iwa s PHE 148 Ca 0.38 -0.13 -0.10 0.00 -0.60 0.00 0.00 56.93 56.48 1iwa s PHE 148 Cb 0.20 -1.40 -0.32 0.00 0.51 0.00 0.00 43.02 42.02 1iwa s PHE 148 CO 0.33 0.51 0.91 0.37 0.70 0.00 0.00 175.22 178.03 1iwa h GLN 149 N 1.52 0.40 -0.13 0.44 4.15 -1.84 -3.50 115.11 116.14 1iwa h GLN 149 Ca -0.48 -0.68 0.02 0.00 0.77 0.00 0.00 58.65 58.28 1iwa h GLN 149 Cb 1.24 0.25 -0.01 0.00 0.21 0.00 0.00 27.48 29.18 1iwa h GLN 149 CO 0.61 1.30 -0.03 0.41 -1.93 0.00 0.00 178.83 179.19 1iwa n GLY 150 N 1.71 -1.69 3.60 2.39 0.00 -0.82 -4.74 105.19 105.64 1iwa n GLY 150 Ca -0.17 -1.50 -0.58 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.98 0.51 -0.24 1.61 -0.02 -1.21 -3.91 135.00 129.75 1iwa n PRO 151 Ca -0.00 0.18 0.02 0.00 -2.02 0.00 0.00 63.50 61.69 1iwa n PRO 151 Cb 0.03 -1.75 0.15 0.00 -0.02 0.00 0.00 33.50 31.90 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 4.45 0.98 0.00 3.55 0.00 -1.10 -3.36 119.26 123.79 1iwa h ALA 152 Ca -0.48 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1iwa h ALA 152 Cb 1.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1iwa h ALA 152 CO 0.79 -0.10 -0.59 2.41 0.00 0.00 0.00 179.25 181.76 1iwa n THR 153 N -4.91 1.28 0.00 0.00 -1.04 -1.26 -4.63 114.28 103.72 1iwa n THR 153 Ca 0.12 0.24 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 1iwa n THR 153 Cb 0.31 -2.02 0.00 0.00 -1.82 0.00 0.00 70.33 66.80 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 2.17 -0.43 0.22 3.41 0.00 -1.26 -4.20 105.19 105.10 1iwa n GLY 154 Ca -0.08 -1.53 -0.02 0.00 0.00 0.00 0.00 46.02 44.38 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 0.45 0.38 1.61 2.07 -1.52 0.12 116.25 119.35 1iwa h VAL 155 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1iwa h VAL 155 Cb 0.00 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1iwa h VAL 155 CO 0.00 0.00 -0.18 0.40 0.02 0.00 0.00 177.57 177.81 1iwa h ILE 156 N -0.00 0.64 -0.56 4.57 1.08 -1.87 -1.40 117.51 119.97 1iwa h ILE 156 Ca 0.26 -0.13 -0.03 0.00 -0.39 0.00 0.00 64.86 64.57 1iwa h ILE 156 Cb 0.40 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.83 1iwa h ILE 156 CO -0.57 0.03 0.22 0.25 -0.69 0.00 0.00 178.15 177.38 1iwa h LEU 157 N -0.58 0.75 -0.25 1.44 5.85 -1.68 -2.28 115.31 118.55 1iwa h LEU 157 Ca -0.05 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1iwa h LEU 157 Cb 0.43 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1iwa h LEU 157 CO 0.08 0.68 0.15 -0.08 -0.34 0.00 0.00 178.44 178.93 1iwa h GLU 158 N 0.81 0.34 -0.02 1.25 4.81 -0.55 -1.18 114.58 120.04 1iwa h GLU 158 Ca 0.19 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1iwa h GLU 158 Cb 0.17 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1iwa h GLU 158 CO -0.02 0.27 -0.28 0.00 -0.73 0.00 0.00 179.01 178.26 1iwa h ARG 159 N 0.31 0.04 -0.23 1.92 3.08 -1.01 -1.37 114.38 117.13 1iwa h ARG 159 Ca 0.09 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.97 1iwa h ARG 159 Cb 0.02 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1iwa h ARG 159 CO -0.02 0.31 -0.51 0.93 -1.07 0.00 0.00 179.97 179.61 1iwa h GLU 160 N 0.03 0.64 -0.03 0.04 5.08 -0.94 0.61 114.58 120.02 1iwa h GLU 160 Ca 0.00 -0.39 -0.13 0.00 -1.00 0.00 0.00 59.36 57.85 1iwa h GLU 160 Cb 0.51 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1iwa h GLU 160 CO 0.04 1.00 -0.57 0.00 -1.00 0.00 0.00 179.01 178.48 1iwa h ARG 161 N 0.50 0.08 0.00 2.33 3.08 -0.75 -3.01 114.38 116.61 1iwa h ARG 161 Ca 0.02 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1iwa h ARG 161 Cb 1.07 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 1iwa h ARG 161 CO 0.10 0.62 -0.98 -0.07 -1.07 0.00 0.00 179.97 178.58 1iwa h LEU 162 N 0.06 0.00 -1.16 3.04 3.38 -1.09 -3.48 115.31 116.05 1iwa h LEU 162 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.65 1iwa h LEU 162 Cb 1.02 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.89 1iwa h LEU 162 CO 0.08 0.10 -0.59 -0.67 0.09 0.00 0.00 178.44 177.44 1iwa n ASP 163 N -2.75 -4.44 -3.80 -0.43 4.64 0.21 -4.45 116.55 105.52 1iwa n ASP 163 Ca -0.01 -0.47 -0.27 0.00 -1.38 0.00 0.00 54.79 52.66 1iwa n ASP 163 Cb 0.60 -4.31 -0.17 0.00 -1.04 0.00 0.00 41.12 36.20 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 -5.77 0.93 0.20 -0.67 1.02 -0.89 -5.03 119.74 109.52 1iwa s LYS 164 Ca 0.33 -0.33 0.05 0.00 0.02 0.00 0.00 55.97 56.04 1iwa s LYS 164 Cb -0.14 -1.80 -0.05 0.00 -0.52 0.00 0.00 37.83 35.32 1iwa s LYS 164 CO 0.61 -0.48 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.42 1iwa s PHE 165 N 1.80 1.51 0.00 3.18 0.40 -1.26 -4.73 117.98 118.88 1iwa s PHE 165 Ca 0.01 -0.76 0.00 0.00 -0.60 0.00 0.00 56.93 55.58 1iwa s PHE 165 Cb -0.15 -0.79 0.00 0.00 0.51 0.00 0.00 43.02 42.58 1iwa s PHE 165 CO -0.07 0.13 0.00 0.41 0.70 0.00 0.00 175.22 176.39 1iwa n GLY 166 N -0.33 0.36 3.25 4.36 0.00 -1.26 -4.99 105.19 106.58 1iwa n GLY 166 Ca -0.08 0.00 -0.13 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 -0.78 0.67 0.76 1.61 1.70 -1.26 -5.04 118.95 116.62 1iwa s ARG 167 Ca 0.00 -0.15 -0.15 0.00 -0.47 0.00 0.00 55.73 54.96 1iwa s ARG 167 Cb 0.00 0.30 0.04 0.00 -0.57 0.00 0.00 34.95 34.72 1iwa s ARG 167 CO 0.00 -0.18 1.12 -2.30 -1.08 0.00 0.00 175.30 172.86 1iwa n PRO 168 N 1.32 0.41 -3.43 3.89 -0.02 -1.13 -4.88 135.00 131.16 1iwa n PRO 168 Ca -0.21 0.21 -0.31 0.00 -2.02 0.00 0.00 63.50 61.17 1iwa n PRO 168 Cb 0.56 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 1iwa n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1iwa s LEU 169 N -4.55 4.14 -0.12 2.45 1.43 -0.22 -4.91 118.68 116.90 1iwa s LEU 169 Ca 0.74 0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 54.61 1iwa s LEU 169 Cb -0.32 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.32 1iwa s LEU 169 CO 0.49 -0.10 -0.07 -0.76 0.23 0.00 0.00 176.35 176.15 1iwa s LEU 170 N -3.07 3.10 0.00 1.79 1.43 -1.26 0.11 118.68 120.79 1iwa s LEU 170 Ca 0.45 -0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.48 1iwa s LEU 170 Cb -0.11 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 1iwa s LEU 170 CO 0.25 0.24 0.21 0.61 0.23 0.00 0.00 176.35 177.90 1iwa n GLY 171 N 3.03 3.09 3.62 -3.19 0.00 0.62 -0.44 105.19 111.92 1iwa n GLY 171 Ca -0.18 -1.99 -0.03 0.00 0.00 0.00 0.00 46.02 43.82 1iwa n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iwa s THR 173 N 1.65 5.10 0.30 0.00 2.01 -1.26 -1.44 115.64 122.00 1iwa s THR 173 Ca -0.08 0.96 -0.29 0.00 0.31 0.00 0.00 61.69 62.58 1iwa s THR 173 Cb -0.05 -3.84 -0.13 0.00 0.01 0.00 0.00 72.50 68.49 1iwa s THR 173 CO -0.17 0.17 1.32 0.41 -0.69 0.00 0.00 174.62 175.66 1iwa n THR 174 N 4.58 1.57 -4.30 -0.82 -1.04 -1.07 -4.56 114.28 108.65 1iwa n THR 174 Ca -0.05 -0.39 -0.19 0.00 -2.04 0.00 0.00 64.05 61.38 1iwa n THR 174 Cb 0.50 -1.50 -0.13 0.00 -1.82 0.00 0.00 70.33 67.39 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 -1.25 0.84 0.83 -2.82 -0.14 -1.26 -4.01 119.74 111.93 1iwa s LYS 175 Ca 0.61 -0.71 -0.12 0.00 -1.36 0.00 0.00 55.97 54.38 1iwa s LYS 175 Cb -0.61 -0.82 0.10 0.00 -1.68 0.00 0.00 37.83 34.82 1iwa s LYS 175 CO 0.57 0.20 1.17 -1.25 -0.76 0.00 0.00 175.35 175.28 1iwa s PRO 176 N -1.12 1.54 0.26 -1.68 0.04 -1.26 -5.06 135.00 127.73 1iwa s PRO 176 Ca 0.00 1.60 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 1iwa s PRO 176 Cb -0.08 -1.78 0.51 0.00 0.04 0.00 0.00 34.50 33.19 1iwa s PRO 176 CO 0.01 -2.25 1.79 0.87 0.04 0.00 0.00 177.00 177.46 1iwa h LYS 177 N -1.22 0.75 -4.68 4.56 1.57 -1.96 -3.44 116.57 112.14 1iwa h LYS 177 Ca -0.45 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.06 1iwa h LYS 177 Cb 1.28 -0.17 -0.15 0.00 0.08 0.00 0.00 32.23 33.27 1iwa h LYS 177 CO 0.45 0.49 -0.70 -0.51 -0.57 0.00 0.00 179.45 178.62 1iwa s LEU 178 N -10.30 2.51 0.00 2.94 1.43 -1.26 -4.67 118.68 109.33 1iwa s LEU 178 Ca -0.12 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 1iwa s LEU 178 Cb 0.21 -0.09 0.00 0.00 0.03 0.00 0.00 46.19 46.34 1iwa s LEU 178 CO 0.79 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 177.52 1iwa n GLY 179 N -0.05 1.80 3.77 -3.19 0.00 -1.26 -5.09 105.19 101.17 1iwa n GLY 179 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 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 3.86 0.70 0.99 1.43 -1.26 -4.94 118.68 119.47 1iwa s LEU 180 Ca 0.00 2.24 -0.05 0.00 -1.03 0.00 0.00 54.13 55.29 1iwa s LEU 180 Cb 0.00 -4.43 0.08 0.00 0.03 0.00 0.00 46.19 41.87 1iwa s LEU 180 CO 0.00 -1.09 1.00 -0.94 0.23 0.00 0.00 176.35 175.55 1iwa s SER 181 N -1.58 4.63 0.05 2.29 1.04 -1.26 -4.58 113.70 114.28 1iwa s SER 181 Ca 0.69 0.19 -0.22 0.00 0.48 0.00 0.00 55.95 57.08 1iwa s SER 181 Cb -0.26 -0.77 -0.14 0.00 0.10 0.00 0.00 66.02 64.95 1iwa s SER 181 CO 0.30 -1.68 1.48 1.23 0.98 0.00 0.00 173.24 175.56 1iwa h GLY 182 N -0.57 0.18 0.75 7.32 0.00 -1.91 0.20 103.07 109.05 1iwa h GLY 182 Ca -0.42 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 1iwa h GLY 182 CO 0.53 0.12 -0.41 1.70 0.00 0.00 0.00 176.54 178.47 1iwa h LYS 183 N -0.09 -0.93 -0.73 4.80 1.63 -1.95 -1.85 116.57 117.44 1iwa h LYS 183 Ca 0.03 0.06 0.13 0.00 -0.85 0.00 0.00 60.65 60.02 1iwa h LYS 183 Cb 0.33 0.21 -0.05 0.00 -0.60 0.00 0.00 32.23 32.13 1iwa h LYS 183 CO 0.00 -0.62 0.48 -0.91 -3.45 0.00 0.00 179.45 174.96 1iwa h ASN 184 N -0.96 0.44 -0.75 4.20 2.35 -1.95 -0.43 115.58 118.47 1iwa h ASN 184 Ca -0.07 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1iwa h ASN 184 Cb 0.80 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 39.07 1iwa h ASN 184 CO 0.04 0.24 0.35 0.22 -1.65 0.00 0.00 177.43 176.63 1iwa h TYR 185 N 0.47 1.11 -0.25 1.19 3.20 0.03 -2.23 116.97 120.50 1iwa h TYR 185 Ca 0.35 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 62.08 1iwa h TYR 185 Cb 0.71 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1iwa h TYR 185 CO -0.00 0.81 -0.23 0.78 -1.64 0.00 0.00 178.16 177.88 1iwa h GLY 186 N 1.13 0.50 0.57 1.82 0.00 -0.29 -2.32 103.07 104.48 1iwa h GLY 186 Ca 0.26 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.22 1iwa h GLY 186 CO -0.03 0.36 -0.22 -0.09 0.00 0.00 0.00 176.54 176.55 1iwa h ARG 187 N 0.41 -0.39 -0.84 4.80 1.12 -1.05 0.22 114.38 118.64 1iwa h ARG 187 Ca 0.06 0.03 0.03 0.00 -1.11 0.00 0.00 59.98 58.99 1iwa h ARG 187 Cb 0.63 0.09 -0.05 0.00 -0.01 0.00 0.00 29.97 30.63 1iwa h ARG 187 CO 0.05 -0.26 0.54 0.28 -3.11 0.00 0.00 179.97 177.47 1iwa h VAL 188 N -0.40 1.14 -0.49 0.20 2.07 -1.39 -0.92 116.25 116.46 1iwa h VAL 188 Ca 0.04 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1iwa h VAL 188 Cb 0.44 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1iwa h VAL 188 CO -0.15 0.19 0.20 0.58 0.02 0.00 0.00 177.57 178.42 1iwa h VAL 189 N 1.06 1.21 0.34 2.57 2.07 -0.83 -1.84 116.25 120.83 1iwa h VAL 189 Ca 0.34 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1iwa h VAL 189 Cb 0.00 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1iwa h VAL 189 CO -0.11 0.24 -0.16 0.22 0.02 0.00 0.00 177.57 177.78 1iwa h TYR 190 N 0.65 -0.42 0.10 1.57 3.20 -0.09 -2.02 116.97 119.97 1iwa h TYR 190 Ca 0.16 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1iwa h TYR 190 Cb 0.19 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 1iwa h TYR 190 CO 0.00 -0.14 -0.24 0.93 -1.64 0.00 0.00 178.16 177.07 1iwa h GLU 191 N -0.66 -0.42 -0.90 1.82 4.39 -1.19 -0.77 114.58 116.85 1iwa h GLU 191 Ca -0.05 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.71 1iwa h GLU 191 Cb 0.47 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.16 1iwa h GLU 191 CO 0.08 -0.28 0.59 0.00 -1.16 0.00 0.00 179.01 178.23 1iwa h ALA 192 N 0.34 1.19 -0.24 3.43 0.00 -1.38 0.10 119.26 122.70 1iwa h ALA 192 Ca 0.03 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1iwa h ALA 192 Cb 0.46 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1iwa h ALA 192 CO -0.15 0.45 -0.60 -0.07 0.00 0.00 0.00 179.25 178.88 1iwa h LEU 193 N 1.14 0.95 -1.09 0.00 3.38 -1.20 -2.44 115.31 116.05 1iwa h LEU 193 Ca 0.36 -0.56 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 1iwa h LEU 193 Cb -0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1iwa h LEU 193 CO -0.12 1.34 -0.20 0.50 0.09 0.00 0.00 178.44 180.06 1iwa h LYS 194 N 0.60 0.41 0.00 1.13 3.64 -0.86 -2.67 116.57 118.83 1iwa h LYS 194 Ca -0.01 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1iwa h LYS 194 Cb 1.22 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1iwa h LYS 194 CO 0.13 0.60 -0.01 0.78 -2.27 0.00 0.00 179.45 178.68 1iwa h GLY 195 N 0.96 0.00 0.00 5.01 0.00 -0.67 -3.46 103.07 104.90 1iwa h GLY 195 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1iwa h GLY 195 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.19 1iwa n GLY 196 N -0.36 0.61 3.79 4.60 0.00 -1.00 -1.47 105.19 111.35 1iwa n GLY 196 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 4.02 0.05 0.99 1.43 -0.93 -4.77 118.68 119.46 1iwa s LEU 197 Ca 0.00 2.02 0.10 0.00 -1.03 0.00 0.00 54.13 55.22 1iwa s LEU 197 Cb 0.00 -4.33 -0.21 0.00 0.03 0.00 0.00 46.19 41.68 1iwa s LEU 197 CO 0.00 -0.64 1.00 0.44 0.23 0.00 0.00 176.35 177.38 1iwa h ASP 198 N 2.10 0.00 -5.13 2.29 3.32 -1.41 -3.41 116.42 114.18 1iwa h ASP 198 Ca -0.49 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.43 1iwa h ASP 198 Cb 1.22 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.60 1iwa h ASP 198 CO 0.61 0.99 -0.65 -0.36 -1.72 0.00 0.00 179.24 178.11 1iwa s PHE 199 N -2.67 0.37 0.10 4.55 0.08 0.42 -3.15 117.98 117.69 1iwa s PHE 199 Ca -0.01 -0.79 0.02 0.00 0.12 0.00 0.00 56.93 56.27 1iwa s PHE 199 Cb 0.09 -0.27 -0.04 0.00 -0.57 0.00 0.00 43.02 42.23 1iwa s PHE 199 CO 0.82 -0.32 -0.08 0.08 -0.10 0.00 0.00 175.22 175.62 1iwa s VAL 200 N -2.92 0.77 -0.00 -0.44 1.01 -0.90 -2.70 120.40 115.22 1iwa s VAL 200 Ca -0.02 -1.85 -0.20 0.00 0.00 0.00 0.00 61.98 59.91 1iwa s VAL 200 Cb 0.01 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.85 1iwa s VAL 200 CO -0.06 -0.78 0.44 -1.59 0.00 0.00 0.00 175.10 173.11 1iwa s LYS 201 N -3.52 0.86 0.68 2.72 -2.85 -0.52 -0.36 119.74 116.76 1iwa s LYS 201 Ca 0.10 -0.14 -0.14 0.00 -1.00 0.00 0.00 55.97 54.79 1iwa s LYS 201 Cb 0.03 0.39 0.01 0.00 -2.06 0.00 0.00 37.83 36.20 1iwa s LYS 201 CO -0.03 -0.27 1.10 -0.51 0.10 0.00 0.00 175.35 175.74 1iwa s ASP 202 N -1.54 5.04 0.58 0.03 1.01 -0.92 -2.59 116.67 118.28 1iwa s ASP 202 Ca -0.10 1.93 -0.10 0.00 0.71 0.00 0.00 52.55 54.99 1iwa s ASP 202 Cb -0.02 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1iwa s ASP 202 CO 0.03 -1.68 0.97 -0.62 0.21 0.00 0.00 175.17 174.09 1iwa s ASP 203 N -2.83 6.25 0.36 0.27 3.68 -1.26 -4.84 116.67 118.30 1iwa s ASP 203 Ca 0.65 1.30 0.09 0.00 2.13 0.00 0.00 52.55 56.72 1iwa s ASP 203 Cb -0.19 -2.42 0.82 0.00 -1.45 0.00 0.00 42.92 39.68 1iwa s ASP 203 CO 0.45 -0.79 1.90 1.05 0.13 0.00 0.00 175.17 177.91 1iwa h GLU 204 N -0.16 0.66 -0.15 4.34 9.09 -1.94 -1.11 114.58 125.30 1iwa h GLU 204 Ca -0.45 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.92 1iwa h GLU 204 Cb 1.19 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 28.14 1iwa h GLU 204 CO 0.62 0.44 0.00 0.27 0.05 0.00 0.00 179.01 180.39 1iwa n ASN 205 N -4.52 1.20 -4.47 3.06 6.94 -1.26 -4.71 115.26 111.49 1iwa n ASN 205 Ca 0.15 -1.74 -0.43 0.00 -0.02 0.00 0.00 54.58 52.54 1iwa n ASN 205 Cb 0.40 -0.10 -0.09 0.00 -2.36 0.00 0.00 39.78 37.63 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 -1.80 5.16 0.00 1.53 -1.09 -0.42 -4.89 121.20 119.69 1iwa s ILE 206 Ca 0.26 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 1iwa s ILE 206 Cb 0.14 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1iwa s ILE 206 CO 0.21 -0.40 0.00 0.59 -1.23 0.00 0.00 174.94 174.10 1iwa n ASN 207 N 5.42 0.00 -3.56 3.58 5.03 -1.26 -4.69 115.26 119.77 1iwa n ASN 207 Ca -0.09 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.13 1iwa n ASN 207 Cb 0.47 0.00 -0.15 0.00 -1.02 0.00 0.00 39.78 39.08 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 1.00 2.01 0.33 6.41 0.15 -1.26 -3.96 113.70 118.37 1iwa s SER 208 Ca 0.00 -0.49 0.03 0.00 0.70 0.00 0.00 55.95 56.19 1iwa s SER 208 Cb 0.00 0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 64.27 1iwa s SER 208 CO 0.00 -0.34 0.13 -1.10 1.20 0.00 0.00 173.24 173.13 1iwa s GLN 209 N 2.21 1.67 0.28 5.44 1.11 -0.53 -4.92 119.66 124.92 1iwa s GLN 209 Ca 0.04 -1.96 0.00 0.00 0.01 0.00 0.00 55.36 53.45 1iwa s GLN 209 Cb -0.16 -0.35 0.52 0.00 -1.01 0.00 0.00 33.01 32.02 1iwa s GLN 209 CO -0.11 -0.40 1.83 -1.35 0.01 0.00 0.00 175.29 175.27 1iwa h PRO 210 N 2.11 0.95 0.00 2.91 0.11 -2.01 -1.80 132.00 134.28 1iwa h PRO 210 Ca -0.35 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1iwa h PRO 210 Cb 1.25 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1iwa h PRO 210 CO 0.56 0.63 0.00 1.97 -0.21 0.00 0.00 178.00 180.96 1iwa n PHE 211 N -4.63 0.30 -3.21 0.65 1.16 -1.26 -4.72 117.46 105.75 1iwa n PHE 211 Ca 0.18 0.10 0.04 0.00 -1.87 0.00 0.00 57.45 55.90 1iwa n PHE 211 Cb 0.33 -0.66 -0.03 0.00 -1.61 0.00 0.00 39.48 37.51 1iwa n PHE 211 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1iwa s MET 212 N -3.07 0.13 0.32 3.97 0.00 -0.68 -4.44 119.30 115.52 1iwa s MET 212 Ca 0.10 0.28 -0.14 0.00 0.00 0.00 0.00 55.69 55.93 1iwa s MET 212 Cb 0.13 0.16 -0.09 0.00 0.00 0.00 0.00 34.83 35.04 1iwa s MET 212 CO 0.44 -0.09 0.73 1.03 0.00 0.00 0.00 175.02 177.12 1iwa s ARG 213 N 2.54 3.97 0.26 4.11 1.81 -1.18 -1.46 118.95 129.00 1iwa s ARG 213 Ca -0.02 0.62 -0.02 0.00 -1.72 0.00 0.00 55.73 54.59 1iwa s ARG 213 Cb -0.06 -2.44 0.44 0.00 -0.45 0.00 0.00 34.95 32.45 1iwa s ARG 213 CO -0.13 0.15 1.83 0.11 -0.68 0.00 0.00 175.30 176.58 1iwa h TRP 214 N 2.19 0.99 -0.81 -0.53 5.08 -1.90 -3.13 115.95 117.85 1iwa h TRP 214 Ca -0.48 0.03 0.03 0.00 1.08 0.00 0.00 58.89 59.55 1iwa h TRP 214 Cb 1.17 -0.31 -0.05 0.00 -3.00 0.00 0.00 29.16 26.98 1iwa h TRP 214 CO 0.62 0.42 0.54 0.00 -1.28 0.00 0.00 178.44 178.73 1iwa h ARG 215 N 0.91 0.99 -0.40 0.12 3.08 -1.94 -0.80 114.38 116.34 1iwa h ARG 215 Ca 0.43 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.38 1iwa h ARG 215 Cb 0.37 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1iwa h ARG 215 CO -0.24 0.66 0.08 0.93 -1.07 0.00 0.00 179.97 180.33 1iwa h GLU 216 N 1.02 0.65 -0.32 0.04 3.07 -1.96 -1.80 114.58 115.28 1iwa h GLU 216 Ca 0.32 -0.17 0.02 0.00 -0.50 0.00 0.00 59.36 59.04 1iwa h GLU 216 Cb 0.01 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.81 1iwa h GLU 216 CO -0.09 0.69 0.16 -0.09 -1.40 0.00 0.00 179.01 178.27 1iwa h ARG 217 N 0.51 0.32 -0.45 2.33 2.43 -1.46 0.96 114.38 119.01 1iwa h ARG 217 Ca 0.12 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1iwa h ARG 217 Cb 0.34 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1iwa h ARG 217 CO 0.00 0.21 0.25 1.88 -1.51 0.00 0.00 179.97 180.80 1iwa h TYR 218 N 0.32 0.46 -0.26 2.20 -1.99 -1.00 0.75 116.97 117.46 1iwa h TYR 218 Ca 0.14 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.86 1iwa h TYR 218 Cb 0.06 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 1iwa h TYR 218 CO -0.10 0.25 0.08 -0.07 -0.00 0.00 0.00 178.16 178.32 1iwa h LEU 219 N 0.49 0.38 -0.31 3.88 4.07 -0.76 -1.96 115.31 121.11 1iwa h LEU 219 Ca 0.19 -0.21 -0.19 0.00 0.08 0.00 0.00 57.88 57.75 1iwa h LEU 219 Cb 0.06 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.70 1iwa h LEU 219 CO -0.11 0.48 -0.60 -0.26 -1.08 0.00 0.00 178.44 176.88 1iwa h PHE 220 N 0.25 1.03 -0.52 1.13 -1.00 -0.70 -3.09 116.94 114.05 1iwa h PHE 220 Ca 0.08 -0.39 -0.02 0.00 2.81 0.00 0.00 57.97 60.46 1iwa h PHE 220 Cb 0.24 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 1iwa h PHE 220 CO 0.00 1.20 0.26 1.15 -1.61 0.00 0.00 178.31 179.32 1iwa h THR 221 N 0.61 1.19 -0.32 -1.55 2.02 -0.84 -1.72 112.91 112.30 1iwa h THR 221 Ca 0.00 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 1iwa h THR 221 Cb 1.20 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1iwa h THR 221 CO 0.13 0.21 0.04 0.24 0.37 0.00 0.00 175.52 176.51 1iwa h MET 222 N 0.70 0.47 -0.53 6.66 2.86 -1.38 0.32 114.93 124.03 1iwa h MET 222 Ca 0.18 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 1iwa h MET 222 Cb 0.10 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1iwa h MET 222 CO -0.02 0.47 -0.11 1.49 1.06 0.00 0.00 176.91 179.79 1iwa h GLU 223 N 0.46 1.02 -0.53 1.72 4.57 -1.40 -1.19 114.58 119.22 1iwa h GLU 223 Ca 0.11 -0.38 -0.08 0.00 -1.18 0.00 0.00 59.36 57.83 1iwa h GLU 223 Cb 0.24 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1iwa h GLU 223 CO 0.00 1.07 0.02 0.00 -1.18 0.00 0.00 179.01 178.92 1iwa h ALA 224 N 0.92 1.04 -0.19 2.92 0.00 -0.24 -2.04 119.26 121.67 1iwa h ALA 224 Ca 0.14 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1iwa h ALA 224 Cb 0.68 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1iwa h ALA 224 CO 0.05 0.60 -0.09 0.28 0.00 0.00 0.00 179.25 180.09 1iwa h VAL 225 N 0.82 1.31 -0.25 0.00 2.07 -0.14 -1.61 116.25 118.45 1iwa h VAL 225 Ca 0.16 -1.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.45 1iwa h VAL 225 Cb 0.46 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1iwa h VAL 225 CO 0.02 0.34 -0.20 0.78 0.02 0.00 0.00 177.57 178.54 1iwa h ASN 226 N 0.08 0.45 -0.15 0.57 2.35 -1.17 -1.41 115.58 116.30 1iwa h ASN 226 Ca 0.04 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 1iwa h ASN 226 Cb 0.57 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 1iwa h ASN 226 CO 0.03 0.66 -0.05 0.11 -1.65 0.00 0.00 177.43 176.53 1iwa h LYS 227 N 0.41 0.29 -0.82 0.81 1.57 -1.33 -1.35 116.57 116.15 1iwa h LYS 227 Ca 0.07 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1iwa h LYS 227 Cb 0.58 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 1iwa h LYS 227 CO 0.04 0.59 0.54 0.00 -0.57 0.00 0.00 179.45 180.05 1iwa h ALA 228 N 0.69 1.59 -0.15 3.86 0.00 -1.11 0.72 119.26 124.87 1iwa h ALA 228 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1iwa h ALA 228 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1iwa h ALA 228 CO 0.02 0.29 0.04 1.03 0.00 0.00 0.00 179.25 180.63 1iwa h SER 229 N 0.92 0.22 0.39 0.00 0.87 -0.99 -1.63 113.55 113.32 1iwa h SER 229 Ca 0.35 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 1iwa h SER 229 Cb 0.21 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1iwa h SER 229 CO -0.12 0.37 -0.17 0.00 -0.53 0.00 0.00 176.83 176.38 1iwa h ALA 230 N 0.85 1.32 0.00 6.23 0.00 -0.34 0.20 119.26 127.52 1iwa h ALA 230 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1iwa h ALA 230 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1iwa h ALA 230 CO -0.00 0.21 -0.37 0.00 0.00 0.00 0.00 179.25 179.08 1iwa n ALA 231 N -2.32 2.81 0.00 0.00 0.00 0.16 -4.43 120.51 116.73 1iwa n ALA 231 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1iwa n ALA 231 Cb 0.28 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.95 0.00 -0.75 0.00 -2.24 -0.65 -5.03 114.28 103.67 1iwa n THR 232 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1iwa n THR 232 Cb 0.40 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 2.28 0.58 3.58 3.38 0.00 0.64 -5.05 105.19 110.61 1iwa n GLY 233 Ca 0.00 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.88 2.06 -0.25 1.61 2.02 -1.24 -5.08 118.70 116.93 1iwa s GLU 234 Ca 0.00 -1.57 -0.26 0.00 0.02 0.00 0.00 54.97 53.16 1iwa s GLU 234 Cb 0.00 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.23 1iwa s GLU 234 CO 0.00 0.33 0.88 0.08 0.02 0.00 0.00 175.26 176.58 1iwa s VAL 235 N -2.41 4.78 0.40 2.63 1.01 -1.26 -4.52 120.40 121.03 1iwa s VAL 235 Ca 0.31 1.63 0.08 0.00 0.00 0.00 0.00 61.98 64.00 1iwa s VAL 235 Cb -0.05 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1iwa s VAL 235 CO 0.18 -0.14 0.25 -0.54 0.00 0.00 0.00 175.10 174.85 1iwa s LYS 236 N 2.98 2.37 -0.09 2.72 -0.14 -1.26 -5.01 119.74 121.31 1iwa s LYS 236 Ca 0.37 -1.68 -0.30 0.00 -1.36 0.00 0.00 55.97 53.01 1iwa s LYS 236 Cb -0.15 -2.16 0.11 0.00 -1.68 0.00 0.00 37.83 33.95 1iwa s LYS 236 CO 0.08 -0.10 0.93 0.20 -0.76 0.00 0.00 175.35 175.70 1iwa s GLY 237 N -3.98 -0.37 -0.05 -3.33 0.00 -1.19 -4.75 107.32 93.65 1iwa s GLY 237 Ca 0.43 1.55 0.02 0.00 0.00 0.00 0.00 44.72 46.72 1iwa s GLY 237 CO 0.25 0.73 -0.09 -1.58 0.00 0.00 0.00 173.10 172.41 1iwa s HIS 238 N -1.96 1.12 -0.49 1.90 2.46 -1.26 -2.11 115.29 114.96 1iwa s HIS 238 Ca 0.00 -0.38 -0.28 0.00 0.47 0.00 0.00 55.06 54.88 1iwa s HIS 238 Cb -0.01 -0.87 -0.01 0.00 -0.13 0.00 0.00 32.58 31.56 1iwa s HIS 238 CO -0.02 -0.23 1.74 0.71 -2.47 0.00 0.00 174.74 174.47 1iwa s TYR 239 N 0.75 1.87 -0.27 3.88 2.02 0.51 -4.65 117.35 121.46 1iwa s TYR 239 Ca -0.13 0.68 -0.25 0.00 -0.37 0.00 0.00 57.07 57.00 1iwa s TYR 239 Cb -0.15 -4.16 0.00 0.00 -0.40 0.00 0.00 41.96 37.25 1iwa s TYR 239 CO 0.02 -2.46 0.86 -0.51 -1.57 0.00 0.00 175.55 171.90 1iwa s LEU 240 N 7.56 4.06 -0.21 -1.29 1.43 -1.24 -2.16 118.68 126.83 1iwa s LEU 240 Ca 0.69 0.93 -0.29 0.00 -1.03 0.00 0.00 54.13 54.43 1iwa s LEU 240 Cb -0.16 -3.22 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 1iwa s LEU 240 CO 0.27 -0.61 1.24 0.21 0.23 0.00 0.00 176.35 177.69 1iwa s ASN 241 N 1.47 6.89 0.00 2.29 3.04 -1.26 -1.81 114.94 125.56 1iwa s ASN 241 Ca 0.36 1.53 0.19 0.00 0.04 0.00 0.00 52.86 54.98 1iwa s ASN 241 Cb -0.14 -2.54 0.48 0.00 -1.54 0.00 0.00 41.25 37.50 1iwa s ASN 241 CO 0.10 -0.83 1.40 1.33 -3.04 0.00 0.00 177.10 176.06 1iwa n VAL 242 N 5.58 0.81 -1.69 -5.21 0.24 -0.97 -4.87 118.33 112.22 1iwa n VAL 242 Ca 0.14 -0.90 -0.44 0.00 -2.04 0.00 0.00 64.34 61.09 1iwa n VAL 242 Cb 0.45 0.68 -0.03 0.00 -1.47 0.00 0.00 33.84 33.47 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 1.29 0.31 -3.86 3.34 -1.04 -1.26 -4.41 114.28 108.64 1iwa n THR 243 Ca 0.19 -0.08 -0.07 0.00 -2.04 0.00 0.00 64.05 62.05 1iwa n THR 243 Cb 0.55 -1.68 -0.02 0.00 -1.82 0.00 0.00 70.33 67.36 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 0.67 -1.10 0.13 2.41 0.00 -1.26 -4.83 121.76 117.77 1iwa s ALA 244 Ca 0.74 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 52.13 1iwa s ALA 244 Cb -0.61 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 1iwa s ALA 244 CO 0.40 -1.02 1.73 0.00 0.00 0.00 0.00 175.76 176.87 1iwa h ALA 245 N 2.02 0.40 -2.06 0.00 0.00 -1.96 -3.45 119.26 114.21 1iwa h ALA 245 Ca -0.21 -0.07 -0.57 0.00 0.00 0.00 0.00 54.91 54.06 1iwa h ALA 245 Cb 1.25 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.81 1iwa h ALA 245 CO 0.26 -0.07 -0.64 0.95 0.00 0.00 0.00 179.25 179.75 1iwa s THR 246 N -5.86 2.93 0.16 0.00 -4.23 -1.26 -5.03 115.64 102.34 1iwa s THR 246 Ca -0.13 -1.98 -0.13 0.00 -1.18 0.00 0.00 61.69 58.26 1iwa s THR 246 Cb 0.09 -2.76 0.05 0.00 1.34 0.00 0.00 72.50 71.22 1iwa s THR 246 CO 0.72 -0.29 1.70 -0.03 -0.54 0.00 0.00 174.62 176.18 1iwa h MET 247 N 1.87 0.81 -0.45 3.99 4.05 -1.99 -1.45 114.93 121.76 1iwa h MET 247 Ca -0.43 -0.16 0.05 0.00 -0.28 0.00 0.00 59.70 58.88 1iwa h MET 247 Cb 1.25 -0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 31.88 1iwa h MET 247 CO 0.63 0.73 0.18 0.93 0.23 0.00 0.00 176.91 179.61 1iwa h GLU 248 N 0.72 0.35 -0.74 0.39 3.07 -1.99 0.53 114.58 116.91 1iwa h GLU 248 Ca 0.17 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 1iwa h GLU 248 Cb 0.24 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.04 1iwa h GLU 248 CO -0.01 0.23 0.41 1.49 -1.40 0.00 0.00 179.01 179.74 1iwa h GLU 249 N 0.36 1.03 -0.47 2.33 4.57 -1.89 -1.42 114.58 119.10 1iwa h GLU 249 Ca 0.21 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1iwa h GLU 249 Cb 0.18 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1iwa h GLU 249 CO -0.19 0.76 0.18 0.52 -1.18 0.00 0.00 179.01 179.10 1iwa h MET 250 N 1.02 0.72 -0.60 1.92 2.86 -0.45 -2.56 114.93 117.84 1iwa h MET 250 Ca 0.26 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1iwa h MET 250 Cb 0.02 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 1iwa h MET 250 CO -0.04 0.65 0.37 1.88 1.06 0.00 0.00 176.91 180.83 1iwa h TYR 251 N 0.63 0.69 -0.67 -0.22 0.05 -0.58 -0.19 116.97 116.67 1iwa h TYR 251 Ca 0.16 0.02 0.08 0.00 0.05 0.00 0.00 58.73 59.04 1iwa h TYR 251 Cb 0.21 -0.23 -0.07 0.00 1.01 0.00 0.00 36.73 37.66 1iwa h TYR 251 CO 0.01 0.40 0.34 0.00 -1.05 0.00 0.00 178.16 177.85 1iwa h ALA 252 N 1.26 0.91 -0.16 3.88 0.00 -1.00 0.28 119.26 124.44 1iwa h ALA 252 Ca 0.24 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1iwa h ALA 252 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1iwa h ALA 252 CO -0.10 -0.05 -0.47 0.00 0.00 0.00 0.00 179.25 178.63 1iwa h ARG 253 N 0.59 0.60 -0.78 0.00 3.08 -1.05 -2.00 114.38 114.82 1iwa h ARG 253 Ca 0.32 -0.43 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1iwa h ARG 253 Cb 0.31 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 1iwa h ARG 253 CO -0.25 1.05 0.37 0.00 -1.07 0.00 0.00 179.97 180.08 1iwa h ALA 254 N 0.55 1.01 -0.32 0.04 0.00 -0.62 -1.57 119.26 118.35 1iwa h ALA 254 Ca -0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1iwa h ALA 254 Cb 1.09 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1iwa h ALA 254 CO 0.10 0.58 -0.19 -0.91 0.00 0.00 0.00 179.25 178.84 1iwa h ASN 255 N 1.11 0.59 -0.32 0.00 -0.26 -0.45 -1.00 115.58 115.25 1iwa h ASN 255 Ca 0.27 -0.19 -0.13 0.00 -0.56 0.00 0.00 56.30 55.69 1iwa h ASN 255 Cb 0.13 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1iwa h ASN 255 CO -0.03 0.79 -0.28 0.15 -1.06 0.00 0.00 177.43 177.00 1iwa h PHE 256 N 0.53 0.96 -0.83 1.19 3.57 -0.96 -0.05 116.94 121.36 1iwa h PHE 256 Ca 0.08 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1iwa h PHE 256 Cb 0.63 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 1iwa h PHE 256 CO 0.03 1.01 0.49 0.00 -2.23 0.00 0.00 178.31 177.60 1iwa h ALA 257 N 0.97 1.06 -0.64 2.41 0.00 -0.94 -1.53 119.26 120.58 1iwa h ALA 257 Ca 0.08 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1iwa h ALA 257 Cb 0.82 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1iwa h ALA 257 CO 0.07 0.53 0.12 -0.22 0.00 0.00 0.00 179.25 179.75 1iwa h LYS 258 N 1.14 1.04 -0.77 0.00 3.64 -0.74 -2.41 116.57 118.46 1iwa h LYS 258 Ca 0.30 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1iwa h LYS 258 Cb -0.02 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1iwa h LYS 258 CO -0.05 0.94 0.33 0.93 -2.27 0.00 0.00 179.45 179.33 1iwa h GLU 259 N 0.98 1.14 -0.00 1.90 5.08 -0.33 -2.73 114.58 120.61 1iwa h GLU 259 Ca 0.20 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1iwa h GLU 259 Cb 0.40 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1iwa h GLU 259 CO 0.01 0.91 -0.00 1.28 -1.00 0.00 0.00 179.01 180.21 1iwa n LEU 260 N -4.33 0.13 0.00 1.33 4.77 -0.64 -4.92 117.00 113.35 1iwa n LEU 260 Ca 0.07 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1iwa n LEU 260 Cb 0.17 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1iwa n LEU 260 CO 0.40 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1iwa n GLY 261 N 1.02 0.63 3.68 -0.72 0.00 -1.03 -5.03 105.19 103.74 1iwa n GLY 261 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 2.34 0.02 1.61 2.88 -0.93 -4.88 113.62 114.65 1iwa n SER 262 Ca 0.00 1.10 0.12 0.00 -1.33 0.00 0.00 58.87 58.76 1iwa n SER 262 Cb 0.00 -1.47 0.24 0.00 -0.75 0.00 0.00 64.21 62.23 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 -0.22 0.12 -3.65 2.46 3.14 -1.26 -4.82 118.33 114.10 1iwa n VAL 263 Ca 0.07 -0.10 -0.10 0.00 -2.96 0.00 0.00 64.34 61.25 1iwa n VAL 263 Cb 0.39 0.08 -0.05 0.00 -1.06 0.00 0.00 33.84 33.20 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 -3.06 0.07 0.11 1.55 2.07 -1.26 -2.50 121.20 118.18 1iwa s ILE 264 Ca 0.09 -0.61 -0.10 0.00 -1.41 0.00 0.00 60.65 58.62 1iwa s ILE 264 Cb 0.16 -1.19 0.00 0.00 0.13 0.00 0.00 42.46 41.56 1iwa s ILE 264 CO 0.70 -0.32 0.25 0.27 -1.91 0.00 0.00 174.94 173.93 1iwa s ILE 265 N -3.81 0.12 0.24 2.00 -4.36 -0.74 -3.67 121.20 110.98 1iwa s ILE 265 Ca 0.03 -1.11 0.06 0.00 -0.26 0.00 0.00 60.65 59.37 1iwa s ILE 265 Cb 0.02 -1.41 -0.05 0.00 1.25 0.00 0.00 42.46 42.27 1iwa s ILE 265 CO -0.12 -0.53 -0.07 0.00 0.24 0.00 0.00 174.94 174.47 1iwa s MET 266 N -3.87 1.42 0.08 0.37 0.23 -0.75 -0.88 119.30 115.90 1iwa s MET 266 Ca 0.07 -1.70 -0.06 0.00 -1.03 0.00 0.00 55.69 52.98 1iwa s MET 266 Cb 0.04 -1.00 -0.02 0.00 -1.53 0.00 0.00 34.83 32.32 1iwa s MET 266 CO -0.09 0.05 0.11 0.96 -2.03 0.00 0.00 175.02 174.02 1iwa s ILE 267 N -3.11 0.17 -0.07 3.16 -4.36 0.15 -2.29 121.20 114.86 1iwa s ILE 267 Ca 0.27 -1.43 -0.03 0.00 -0.26 0.00 0.00 60.65 59.19 1iwa s ILE 267 Cb 0.03 -1.44 -0.04 0.00 1.25 0.00 0.00 42.46 42.26 1iwa s ILE 267 CO 0.09 -0.76 0.07 -1.81 0.24 0.00 0.00 174.94 172.78 1iwa s ASP 268 N -2.89 5.76 0.55 4.36 1.11 -1.26 -0.24 116.67 124.06 1iwa s ASP 268 Ca 0.07 0.25 0.22 0.00 0.18 0.00 0.00 52.55 53.27 1iwa s ASP 268 Cb 0.06 -1.72 1.50 0.00 1.07 0.00 0.00 42.92 43.83 1iwa s ASP 268 CO -0.10 0.35 2.19 0.25 1.18 0.00 0.00 175.17 179.04 1iwa h LEU 270 N 4.74 0.00 -0.50 1.23 5.85 -1.04 -1.87 115.31 123.72 1iwa h LEU 270 Ca -0.52 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1iwa h LEU 270 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1iwa h LEU 270 CO 0.58 0.01 0.00 0.55 -0.34 0.00 0.00 178.44 179.24 1iwa n VAL 271 N -4.23 1.67 0.23 1.05 3.14 -1.26 -1.67 118.33 117.26 1iwa n VAL 271 Ca -0.03 0.58 0.12 0.00 -2.96 0.00 0.00 64.34 62.05 1iwa n VAL 271 Cb 0.09 -1.58 0.35 0.00 -1.06 0.00 0.00 33.84 31.64 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 0.20 0.00 1.55 3.07 -1.73 -3.49 117.51 117.11 1iwa h ILE 272 Ca 0.00 -1.03 0.00 0.00 1.55 0.00 0.00 64.86 65.38 1iwa h ILE 272 Cb 0.00 1.87 0.00 0.00 -0.27 0.00 0.00 36.82 38.42 1iwa h ILE 272 CO 0.00 0.10 0.00 0.61 -1.05 0.00 0.00 178.15 177.81 1iwa n GLY 273 N 0.65 2.43 0.29 0.16 0.00 -0.67 -4.52 105.19 103.53 1iwa n GLY 273 Ca 0.02 -1.83 -0.04 0.00 0.00 0.00 0.00 46.02 44.17 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 0.94 -0.43 1.61 0.05 -1.96 -1.20 116.97 115.98 1iwa h TYR 274 Ca 0.00 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.75 1iwa h TYR 274 Cb 0.00 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.41 1iwa h TYR 274 CO 0.00 0.58 0.08 1.15 -1.05 0.00 0.00 178.16 178.92 1iwa h THR 275 N 1.01 1.24 -0.67 -2.88 2.02 -1.99 0.15 112.91 111.78 1iwa h THR 275 Ca 0.28 -0.87 -0.06 0.00 0.77 0.00 0.00 66.41 66.53 1iwa h THR 275 Cb -0.10 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1iwa h THR 275 CO -0.07 0.30 0.19 0.00 0.37 0.00 0.00 175.52 176.31 1iwa h ALA 276 N 0.94 1.06 0.23 6.16 0.00 -1.75 -0.70 119.26 125.21 1iwa h ALA 276 Ca 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1iwa h ALA 276 Cb 0.36 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1iwa h ALA 276 CO 0.01 0.63 -0.11 0.82 0.00 0.00 0.00 179.25 180.59 1iwa h ILE 277 N 1.00 0.79 -0.07 0.00 2.04 -0.84 0.81 117.51 121.24 1iwa h ILE 277 Ca 0.22 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 1iwa h ILE 277 Cb 0.32 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1iwa h ILE 277 CO -0.00 0.03 -0.09 1.56 0.00 0.00 0.00 178.15 179.65 1iwa h GLN 278 N -0.38 0.10 -0.22 2.37 4.20 -0.87 0.30 115.11 120.61 1iwa h GLN 278 Ca -0.03 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1iwa h GLN 278 Cb 0.29 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1iwa h GLN 278 CO 0.05 0.20 -0.06 1.15 -0.67 0.00 0.00 178.83 179.50 1iwa h THR 279 N 0.10 1.29 -0.43 -0.54 2.02 -0.68 -2.64 112.91 112.03 1iwa h THR 279 Ca 0.02 -1.06 -0.09 0.00 0.77 0.00 0.00 66.41 66.05 1iwa h THR 279 Cb 0.22 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1iwa h THR 279 CO 0.01 0.33 -0.11 0.24 0.37 0.00 0.00 175.52 176.36 1iwa h MET 280 N 0.15 0.78 -0.87 6.66 2.86 0.11 -2.46 114.93 122.15 1iwa h MET 280 Ca 0.05 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1iwa h MET 280 Cb 0.52 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 1iwa h MET 280 CO 0.02 0.86 0.49 0.00 1.06 0.00 0.00 176.91 179.34 1iwa h ALA 281 N 1.17 1.12 -0.39 6.32 0.00 -0.37 0.20 119.26 127.32 1iwa h ALA 281 Ca 0.12 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1iwa h ALA 281 Cb 0.59 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1iwa h ALA 281 CO 0.04 0.62 -0.29 -0.22 0.00 0.00 0.00 179.25 179.40 1iwa h LYS 282 N 1.22 0.83 -0.50 0.00 3.64 -1.32 -2.04 116.57 118.41 1iwa h LYS 282 Ca 0.31 -0.38 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1iwa h LYS 282 Cb 0.01 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1iwa h LYS 282 CO -0.05 1.01 0.31 2.35 -2.27 0.00 0.00 179.45 180.80 1iwa h TRP 283 N 0.71 0.64 -0.67 1.91 7.01 -0.93 -1.16 115.95 123.46 1iwa h TRP 283 Ca 0.08 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 1iwa h TRP 283 Cb 0.83 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.65 1iwa h TRP 283 CO 0.05 0.44 0.33 0.00 -2.79 0.00 0.00 178.44 176.47 1iwa h ALA 284 N 1.15 1.33 -0.07 2.65 0.00 -0.75 -0.16 119.26 123.42 1iwa h ALA 284 Ca 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1iwa h ALA 284 Cb -0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1iwa h ALA 284 CO -0.03 0.53 0.01 -0.09 0.00 0.00 0.00 179.25 179.66 1iwa h ARG 285 N 0.94 0.11 0.00 0.00 9.65 -0.87 -1.99 114.38 122.22 1iwa h ARG 285 Ca 0.23 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 1iwa h ARG 285 Cb 0.08 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1iwa h ARG 285 CO -0.03 0.36 0.00 -0.44 2.80 0.00 0.00 179.97 182.66 1iwa h ASP 286 N -0.15 0.00 0.00 -3.80 3.45 -0.89 -3.21 116.42 111.82 1iwa h ASP 286 Ca 0.02 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.48 1iwa h ASP 286 Cb 0.30 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.07 1iwa h ASP 286 CO 0.00 0.00 -0.07 0.59 -1.57 0.00 0.00 179.24 178.19 1iwa n ASN 287 N -2.36 2.07 -4.12 6.45 3.02 -0.10 -5.01 115.26 115.20 1iwa n ASN 287 Ca 0.01 -2.99 -0.32 0.00 -0.03 0.00 0.00 54.58 51.25 1iwa n ASN 287 Cb 0.19 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.93 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 -1.27 -2.26 -4.44 6.41 10.43 -0.80 -4.96 116.55 119.67 1iwa n ASP 288 Ca 0.14 -1.01 -0.30 0.00 2.57 0.00 0.00 54.79 56.20 1iwa n ASP 288 Cb 0.65 -2.88 -0.13 0.00 1.84 0.00 0.00 41.12 40.60 1iwa n ASP 288 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 1iwa s MET 289 N -6.81 1.81 0.00 -1.24 1.75 -0.91 -4.98 119.30 108.93 1iwa s MET 289 Ca 0.47 -1.14 -0.21 0.00 -1.25 0.00 0.00 55.69 53.57 1iwa s MET 289 Cb -0.25 -2.08 -0.05 0.00 2.84 0.00 0.00 34.83 35.29 1iwa s MET 289 CO 0.91 0.50 0.60 0.42 -0.65 0.00 0.00 175.02 176.80 1iwa s ILE 290 N -1.00 4.89 -0.41 10.11 1.01 -1.04 -4.64 121.20 130.12 1iwa s ILE 290 Ca 0.15 1.26 -0.03 0.00 0.00 0.00 0.00 60.65 62.03 1iwa s ILE 290 Cb -0.10 -3.94 0.11 0.00 0.01 0.00 0.00 42.46 38.54 1iwa s ILE 290 CO 0.06 0.42 0.21 -0.22 0.00 0.00 0.00 174.94 175.41 1iwa s LEU 291 N -0.23 5.25 -0.14 2.97 2.96 -1.26 -1.79 118.68 126.44 1iwa s LEU 291 Ca 0.31 -2.00 -0.24 0.00 -0.22 0.00 0.00 54.13 51.98 1iwa s LEU 291 Cb -0.18 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 1iwa s LEU 291 CO 0.17 -0.55 0.77 -2.28 -1.32 0.00 0.00 176.35 173.15 1iwa s HIS 292 N 1.16 3.46 -0.20 5.38 5.65 -0.06 -0.65 115.29 130.02 1iwa s HIS 292 Ca 0.08 1.21 -0.06 0.00 0.25 0.00 0.00 55.06 56.53 1iwa s HIS 292 Cb -0.23 -2.93 -0.03 0.00 -1.18 0.00 0.00 32.58 28.21 1iwa s HIS 292 CO -0.04 -0.14 0.04 -1.17 -0.65 0.00 0.00 174.74 172.78 1iwa s LEU 293 N 1.75 3.49 -0.29 8.88 2.96 -0.71 -0.67 118.68 134.09 1iwa s LEU 293 Ca 0.37 -0.11 -0.15 0.00 -0.22 0.00 0.00 54.13 54.03 1iwa s LEU 293 Cb -0.17 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 1iwa s LEU 293 CO 0.14 0.08 0.35 -2.28 -1.32 0.00 0.00 176.35 173.32 1iwa s HIS 294 N 0.93 3.23 -1.58 5.38 5.65 0.67 -3.44 115.29 126.13 1iwa s HIS 294 Ca 0.03 0.29 0.00 0.00 0.25 0.00 0.00 55.06 55.62 1iwa s HIS 294 Cb -0.14 -2.58 0.00 0.00 -1.18 0.00 0.00 32.58 28.68 1iwa s HIS 294 CO 0.02 -0.27 0.04 2.89 -0.65 0.00 0.00 174.74 176.78 1iwa n ARG 295 N 5.32 0.00 -0.09 2.88 1.85 -1.26 -0.54 116.66 124.82 1iwa n ARG 295 Ca -0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.72 1iwa n ARG 295 Cb 0.51 -1.05 -0.01 0.00 -1.05 0.00 0.00 32.46 30.86 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 -0.45 -0.30 -1.26 2.89 0.00 -1.26 -1.32 120.51 118.82 1iwa n ALA 296 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 1iwa n ALA 296 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.31 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 0.17 1.00 0.08 0.00 0.00 -1.26 -3.98 105.19 101.19 1iwa n GLY 297 Ca 0.01 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 0.11 0.00 1.61 -1.24 -1.61 -3.03 115.58 111.42 1iwa h ASN 298 Ca -0.18 -0.47 0.00 0.00 0.71 0.00 0.00 56.30 56.36 1iwa h ASN 298 Cb 0.80 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.82 1iwa h ASN 298 CO 0.27 0.55 0.21 0.28 -1.29 0.00 0.00 177.43 177.45 1iwa h SER 299 N -0.34 0.00 -0.47 1.15 0.02 -1.91 -1.08 113.55 110.93 1iwa h SER 299 Ca 0.01 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 61.09 1iwa h SER 299 Cb 0.52 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1iwa h SER 299 CO 0.01 0.00 0.37 0.74 -1.14 0.00 0.00 176.83 176.81 1iwa h THR 300 N 0.00 0.63 0.00 -2.27 2.02 -1.94 -2.94 112.91 108.41 1iwa h THR 300 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1iwa h THR 300 Cb 0.43 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1iwa h THR 300 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1iwa n TYR 301 N -4.18 0.00 0.37 3.16 0.18 -0.46 -4.84 117.16 111.40 1iwa n TYR 301 Ca 0.08 -0.02 0.04 0.00 1.88 0.00 0.00 57.90 59.88 1iwa n TYR 301 Cb 0.58 -0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.52 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 -0.02 0.92 -0.03 9.48 3.41 -0.91 -0.65 113.62 125.81 1iwa n SER 302 Ca 0.00 -0.96 -0.14 0.00 -0.26 0.00 0.00 58.87 57.51 1iwa n SER 302 Cb 0.19 0.60 -0.11 0.00 -0.26 0.00 0.00 64.21 64.64 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 0.70 0.11 -7.18 4.33 9.65 -1.79 -3.44 114.38 116.77 1iwa h ARG 303 Ca 0.00 -0.10 -0.47 0.00 -1.10 0.00 0.00 59.98 58.31 1iwa h ARG 303 Cb 0.26 0.02 0.02 0.00 -1.39 0.00 0.00 29.97 28.88 1iwa h ARG 303 CO 0.00 0.77 0.37 -0.65 2.80 0.00 0.00 179.97 183.26 1iwa s GLN 304 N -3.50 3.84 0.05 0.20 -1.52 -1.26 -3.97 119.66 113.50 1iwa s GLN 304 Ca -0.16 1.03 0.17 0.00 -1.95 0.00 0.00 55.36 54.46 1iwa s GLN 304 Cb 0.01 -2.12 -0.14 0.00 -0.22 0.00 0.00 33.01 30.54 1iwa s GLN 304 CO 0.71 -0.36 0.79 1.17 -0.25 0.00 0.00 175.29 177.35 1iwa n LYS 305 N -1.57 0.62 0.14 2.91 4.81 -1.26 -4.28 118.16 119.53 1iwa n LYS 305 Ca 0.07 0.19 0.06 0.00 -0.87 0.00 0.00 58.31 57.77 1iwa n LYS 305 Cb 0.54 -1.79 0.04 0.00 0.02 0.00 0.00 35.03 33.84 1iwa n LYS 305 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 1iwa h ASN 306 N 0.00 0.00 -4.86 3.14 -1.07 -1.94 -3.48 115.58 107.38 1iwa h ASN 306 Ca -0.17 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.08 1iwa h ASN 306 Cb 1.56 0.00 -0.21 0.00 -2.07 0.00 0.00 38.32 37.61 1iwa h ASN 306 CO 0.04 0.29 -0.32 -2.28 0.07 0.00 0.00 177.43 175.23 1iwa s HIS 307 N -3.09 -0.16 0.00 4.14 5.04 -1.26 -3.35 115.29 116.61 1iwa s HIS 307 Ca 0.03 0.26 0.00 0.00 -1.54 0.00 0.00 55.06 53.81 1iwa s HIS 307 Cb 0.07 0.07 0.00 0.00 0.04 0.00 0.00 32.58 32.77 1iwa s HIS 307 CO 0.74 -0.35 0.00 0.41 -2.34 0.00 0.00 174.74 173.21 1iwa n GLY 308 N 1.49 0.16 2.83 1.59 0.00 0.09 -4.51 105.19 106.84 1iwa n GLY 308 Ca -0.21 -1.94 -0.15 0.00 0.00 0.00 0.00 46.02 43.72 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 0.15 0.22 1.61 -1.94 0.18 -1.62 119.30 117.89 1iwa s MET 309 Ca 0.00 0.07 -0.30 0.00 -1.71 0.00 0.00 55.69 53.75 1iwa s MET 309 Cb 0.00 -0.30 -0.08 0.00 2.01 0.00 0.00 34.83 36.45 1iwa s MET 309 CO 0.00 -0.09 1.11 1.21 -0.01 0.00 0.00 175.02 177.24 1iwa s ASN 310 N 0.71 7.24 0.55 3.03 3.84 -0.19 -3.85 114.94 126.27 1iwa s ASN 310 Ca -0.07 2.18 0.29 0.00 0.21 0.00 0.00 52.86 55.47 1iwa s ASN 310 Cb -0.10 -2.61 1.46 0.00 -0.55 0.00 0.00 41.25 39.45 1iwa s ASN 310 CO -0.02 -0.21 1.92 0.15 -2.79 0.00 0.00 177.10 176.15 1iwa h PHE 311 N 4.65 0.00 0.00 0.43 3.57 -1.91 0.39 116.94 124.06 1iwa h PHE 311 Ca -0.45 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 1iwa h PHE 311 Cb 1.21 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 1iwa h PHE 311 CO 0.61 0.00 -0.06 0.07 -2.23 0.00 0.00 178.31 176.70 1iwa h ARG 312 N 0.00 0.00 -0.09 1.11 0.11 -1.91 0.21 114.38 113.81 1iwa h ARG 312 Ca 0.31 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.27 1iwa h ARG 312 Cb 1.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.43 1iwa h ARG 312 CO -0.00 0.06 -0.40 0.28 0.10 0.00 0.00 179.97 180.01 1iwa h VAL 313 N 0.00 1.39 -0.23 0.08 2.07 -1.17 -2.08 116.25 116.30 1iwa h VAL 313 Ca -0.00 -1.75 -0.05 0.00 0.82 0.00 0.00 66.70 65.73 1iwa h VAL 313 Cb 0.28 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1iwa h VAL 313 CO 0.01 0.52 -0.06 0.40 0.02 0.00 0.00 177.57 178.46 1iwa h ILE 314 N -0.00 1.18 -0.62 4.57 5.03 -1.25 -0.84 117.51 125.58 1iwa h ILE 314 Ca -0.02 -0.74 -0.07 0.00 -0.12 0.00 0.00 64.86 63.91 1iwa h ILE 314 Cb 1.04 1.07 -0.02 0.00 -3.03 0.00 0.00 36.82 35.87 1iwa h ILE 314 CO 0.08 0.24 0.11 0.00 -0.68 0.00 0.00 178.15 177.90 1iwa h LYS 316 N 0.92 0.46 -0.45 0.00 1.57 -0.63 -1.61 116.57 116.84 1iwa h LYS 316 Ca 0.19 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1iwa h LYS 316 Cb 0.42 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1iwa h LYS 316 CO 0.01 0.72 0.26 -1.49 -0.57 0.00 0.00 179.45 178.37 1iwa h TRP 317 N 0.18 0.61 0.00 -1.35 6.55 -1.04 -1.25 115.95 119.65 1iwa h TRP 317 Ca 0.05 -0.01 -0.10 0.00 0.95 0.00 0.00 58.89 59.79 1iwa h TRP 317 Cb 0.56 -0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 28.66 1iwa h TRP 317 CO 0.06 0.45 -0.45 0.52 -1.05 0.00 0.00 178.44 177.96 1iwa h MET 318 N 0.59 0.00 -0.16 0.49 2.86 -1.02 0.30 114.93 117.99 1iwa h MET 318 Ca 0.16 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.62 1iwa h MET 318 Cb 0.03 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 1iwa h MET 318 CO -0.03 0.45 -0.63 -0.09 1.06 0.00 0.00 176.91 177.68 1iwa h ARG 319 N 0.00 0.57 -0.01 1.72 2.43 -1.02 -2.18 114.38 115.90 1iwa h ARG 319 Ca -0.00 -0.40 -0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1iwa h ARG 319 Cb 0.91 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1iwa h ARG 319 CO 0.06 1.02 0.00 0.52 -1.51 0.00 0.00 179.97 180.06 1iwa h MET 320 N 0.42 0.01 -0.65 0.20 2.86 -0.80 -3.08 114.93 113.89 1iwa h MET 320 Ca -0.01 -0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.76 1iwa h MET 320 Cb 1.20 -0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.74 1iwa h MET 320 CO 0.12 0.20 -0.06 0.00 1.06 0.00 0.00 176.91 178.22 1iwa h ALA 321 N 0.81 0.57 0.00 6.32 0.00 -0.29 -2.19 119.26 124.48 1iwa h ALA 321 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1iwa h ALA 321 Cb 0.19 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1iwa h ALA 321 CO -0.00 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.25 1iwa n GLY 322 N -1.40 1.31 3.78 0.00 0.00 -0.84 -4.47 105.19 103.57 1iwa n GLY 322 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.56 3.38 -0.14 1.61 1.01 -1.12 -0.62 120.40 122.97 1iwa s VAL 323 Ca 0.00 0.90 0.05 0.00 0.00 0.00 0.00 61.98 62.93 1iwa s VAL 323 Cb 0.00 -3.39 -0.23 0.00 0.00 0.00 0.00 36.38 32.76 1iwa s VAL 323 CO 0.00 -0.15 0.28 0.47 0.00 0.00 0.00 175.10 175.71 1iwa n ASP 324 N -0.98 1.33 -4.32 3.32 8.00 0.18 -4.30 116.55 119.77 1iwa n ASP 324 Ca 0.10 0.16 -0.17 0.00 0.71 0.00 0.00 54.79 55.59 1iwa n ASP 324 Cb 0.51 -0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 41.32 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 -2.55 1.59 -0.29 1.24 3.76 -1.03 0.94 115.29 118.94 1iwa s HIS 325 Ca -0.17 -0.63 -0.14 0.00 -0.15 0.00 0.00 55.06 53.97 1iwa s HIS 325 Cb 0.07 -0.76 0.13 0.00 1.11 0.00 0.00 32.58 33.14 1iwa s HIS 325 CO 0.76 0.28 0.83 -1.50 -0.85 0.00 0.00 174.74 174.27 1iwa s ILE 326 N -3.07 -0.42 0.19 0.60 2.07 -0.83 -1.75 121.20 117.99 1iwa s ILE 326 Ca 0.21 0.00 -0.33 0.00 -1.41 0.00 0.00 60.65 59.12 1iwa s ILE 326 Cb 0.00 -1.00 -0.14 0.00 0.13 0.00 0.00 42.46 41.45 1iwa s ILE 326 CO 0.05 0.00 1.48 1.41 -1.91 0.00 0.00 174.94 175.97 1iwa n HIS 327 N 4.67 2.15 -0.65 3.50 8.25 -1.22 -1.00 115.22 130.92 1iwa n HIS 327 Ca -0.14 0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1iwa n HIS 327 Cb 0.54 -2.49 0.00 0.00 1.12 0.00 0.00 29.99 29.16 1iwa n HIS 327 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1iwa n ALA 328 N 2.65 1.18 0.00 -1.41 0.00 0.12 -4.75 120.51 118.31 1iwa n ALA 328 Ca 0.15 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1iwa n ALA 328 Cb 0.29 0.00 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 -0.11 2.74 2.67 0.00 0.00 -1.22 -4.87 105.19 104.40 1iwa n GLY 329 Ca 0.00 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 1iwa n GLY 329 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iwa n THR 330 N 0.74 0.44 -0.03 2.61 -2.24 -1.26 -4.47 114.28 110.07 1iwa n THR 330 Ca 0.00 -4.27 0.03 0.00 -2.27 0.00 0.00 64.05 57.54 1iwa n THR 330 Cb 0.00 -1.96 0.05 0.00 -2.10 0.00 0.00 70.33 66.32 1iwa n THR 330 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1iwa n VAL 331 N 2.28 -0.03 -0.76 2.28 0.31 -1.26 0.26 118.33 121.41 1iwa n VAL 331 Ca 0.24 0.16 0.08 0.00 -0.01 0.00 0.00 64.34 64.81 1iwa n VAL 331 Cb 0.41 -0.26 0.25 0.00 -0.91 0.00 0.00 33.84 33.33 1iwa n VAL 331 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1iwa n VAL 332 N -3.06 1.97 -0.29 2.52 0.24 -1.26 -4.75 118.33 113.70 1iwa n VAL 332 Ca 0.03 -1.59 0.00 0.00 -2.04 0.00 0.00 64.34 60.74 1iwa n VAL 332 Cb 0.11 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 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 -0.09 1.19 0.47 7.63 0.00 0.74 -4.61 105.19 110.52 1iwa n GLY 333 Ca 0.20 -1.61 0.11 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 1.15 -4.15 1.61 2.85 0.12 -4.62 118.16 115.12 1iwa n LYS 334 Ca 0.00 -0.95 -0.29 0.00 -1.05 0.00 0.00 58.31 56.02 1iwa n LYS 334 Cb 0.00 -1.48 -0.08 0.00 -0.65 0.00 0.00 35.03 32.82 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 -2.50 3.39 0.21 -5.58 2.01 -1.26 -5.03 118.68 109.92 1iwa s LEU 335 Ca 0.18 -0.25 -0.30 0.00 0.01 0.00 0.00 54.13 53.78 1iwa s LEU 335 Cb 0.18 -2.11 -0.16 0.00 0.01 0.00 0.00 46.19 44.11 1iwa s LEU 335 CO 0.58 0.15 0.84 1.21 1.01 0.00 0.00 176.35 180.14 1iwa n GLU 336 N 0.41 0.64 0.00 1.70 4.07 -1.26 -4.78 120.64 121.43 1iwa n GLU 336 Ca -0.11 0.23 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 1iwa n GLU 336 Cb 0.53 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.43 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 1.71 -1.65 3.71 8.31 0.00 -1.26 -4.78 105.19 111.23 1iwa n GLY 337 Ca 0.15 1.02 -0.42 0.00 0.00 0.00 0.00 46.02 46.77 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 7.19 0.14 1.61 2.15 -1.26 -4.42 116.67 122.07 1iwa s ASP 338 Ca 0.00 1.91 -0.32 0.00 0.43 0.00 0.00 52.55 54.57 1iwa s ASP 338 Cb 0.00 -2.58 -0.09 0.00 -0.30 0.00 0.00 42.92 39.95 1iwa s ASP 338 CO 0.00 -0.38 1.55 1.55 -0.17 0.00 0.00 175.17 177.72 1iwa h PRO 339 N 6.63 -0.32 -0.25 4.34 0.13 -1.97 0.49 132.00 141.06 1iwa h PRO 339 Ca -0.42 0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 64.58 1iwa h PRO 339 Cb 1.22 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1iwa h PRO 339 CO 0.78 -0.21 -0.46 0.82 -0.23 0.00 0.00 178.00 178.70 1iwa h ILE 340 N -0.33 1.30 -0.58 -3.56 2.04 -1.93 -0.86 117.51 113.59 1iwa h ILE 340 Ca 0.10 -1.66 -0.09 0.00 1.00 0.00 0.00 64.86 64.20 1iwa h ILE 340 Cb 0.57 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1iwa h ILE 340 CO -0.65 0.53 0.01 0.40 0.00 0.00 0.00 178.15 178.43 1iwa h ILE 341 N 0.51 1.26 -0.32 -0.67 1.08 -1.71 -2.66 117.51 115.01 1iwa h ILE 341 Ca 0.03 -1.13 -0.01 0.00 -0.39 0.00 0.00 64.86 63.36 1iwa h ILE 341 Cb 1.00 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 35.57 1iwa h ILE 341 CO 0.09 0.41 0.16 0.74 -0.69 0.00 0.00 178.15 178.86 1iwa h THR 342 N 0.92 1.15 -0.86 -0.27 2.02 0.17 -2.17 112.91 113.88 1iwa h THR 342 Ca 0.17 -0.43 0.15 0.00 0.77 0.00 0.00 66.41 67.07 1iwa h THR 342 Cb 0.54 0.85 -0.10 0.00 -1.74 0.00 0.00 68.15 67.71 1iwa h THR 342 CO 0.03 0.16 0.44 -0.09 0.37 0.00 0.00 175.52 176.42 1iwa h ARG 343 N 0.38 0.60 -0.72 6.66 2.43 -0.98 0.17 114.38 122.92 1iwa h ARG 343 Ca 0.11 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.34 1iwa h ARG 343 Cb 0.11 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.45 1iwa h ARG 343 CO -0.01 0.40 0.36 0.78 -1.51 0.00 0.00 179.97 179.98 1iwa h GLY 344 N 0.62 1.09 1.00 2.80 0.00 -1.05 0.59 103.07 108.12 1iwa h GLY 344 Ca 0.47 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 1iwa h GLY 344 CO -0.37 0.05 -0.22 0.74 0.00 0.00 0.00 176.54 176.74 1iwa h PHE 345 N 0.60 -0.57 -0.98 5.60 0.05 -0.49 -0.73 116.94 120.43 1iwa h PHE 345 Ca 0.36 -0.01 0.14 0.00 3.82 0.00 0.00 57.97 62.28 1iwa h PHE 345 Cb 0.40 0.19 -0.09 0.00 2.00 0.00 0.00 35.95 38.45 1iwa h PHE 345 CO -0.11 -0.35 0.62 1.88 -0.18 0.00 0.00 178.31 180.17 1iwa h TYR 346 N -0.60 1.05 -0.49 -0.55 -1.99 -0.71 -0.57 116.97 113.11 1iwa h TYR 346 Ca -0.06 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.64 1iwa h TYR 346 Cb 0.47 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 38.85 1iwa h TYR 346 CO -0.05 0.36 0.05 0.87 -0.00 0.00 0.00 178.16 179.40 1iwa h LYS 347 N 0.87 0.83 0.00 4.88 1.57 -0.49 -1.97 116.57 122.26 1iwa h LYS 347 Ca 0.51 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 1iwa h LYS 347 Cb 0.65 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1iwa h LYS 347 CO -0.28 0.84 -0.11 1.15 -0.57 0.00 0.00 179.45 180.49 1iwa h THR 348 N 0.70 1.04 0.00 -0.16 2.02 0.40 -1.45 112.91 115.46 1iwa h THR 348 Ca 0.14 -0.38 -0.16 0.00 0.77 0.00 0.00 66.41 66.79 1iwa h THR 348 Cb 0.44 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1iwa h THR 348 CO 0.02 0.11 -1.14 -0.07 0.37 0.00 0.00 175.52 174.80 1iwa h LEU 349 N 0.00 0.00 0.00 2.58 3.38 -1.09 -3.42 115.31 116.75 1iwa h LEU 349 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 1iwa h LEU 349 Cb 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1iwa h LEU 349 CO 0.01 0.61 -2.08 0.18 0.09 0.00 0.00 178.44 177.25 1iwa n LEU 350 N -3.02 2.02 -4.74 1.67 7.99 -0.76 -1.11 117.00 119.04 1iwa n LEU 350 Ca -0.06 0.11 -0.38 0.00 -0.01 0.00 0.00 56.01 55.67 1iwa n LEU 350 Cb 0.83 -0.61 0.05 0.00 -0.11 0.00 0.00 43.42 43.58 1iwa n LEU 350 CO 0.43 0.57 0.97 -0.76 -1.51 0.00 0.00 177.39 177.09 1iwa s LEU 351 N -6.68 3.77 0.27 2.23 1.02 -0.57 -4.80 118.68 113.92 1iwa s LEU 351 Ca -0.27 2.76 0.21 0.00 0.02 0.00 0.00 54.13 56.85 1iwa s LEU 351 Cb 0.09 -4.36 0.10 0.00 0.02 0.00 0.00 46.19 42.04 1iwa s LEU 351 CO 0.38 -1.73 1.26 1.55 0.02 0.00 0.00 176.35 177.83 1iwa h PRO 352 N 1.19 0.00 -4.47 1.29 0.13 -1.94 -3.45 132.00 124.74 1iwa h PRO 352 Ca -0.51 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.25 1iwa h PRO 352 Cb 1.31 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.15 1iwa h PRO 352 CO 0.56 0.12 -0.77 0.21 -0.23 0.00 0.00 178.00 177.89 1iwa s LYS 353 N -3.19 0.62 -0.09 0.86 2.20 -1.26 -1.10 119.74 117.78 1iwa s LYS 353 Ca 0.02 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 1iwa s LYS 353 Cb 0.08 -0.60 -0.03 0.00 -1.51 0.00 0.00 37.83 35.77 1iwa s LYS 353 CO 0.75 0.13 -0.07 -0.51 -0.36 0.00 0.00 175.35 175.28 1iwa s LEU 354 N -0.04 3.13 -0.13 5.43 1.02 0.12 -4.95 118.68 123.25 1iwa s LEU 354 Ca 0.01 -0.07 0.02 0.00 0.02 0.00 0.00 54.13 54.10 1iwa s LEU 354 Cb -0.04 -1.69 0.00 0.00 0.02 0.00 0.00 46.19 44.47 1iwa s LEU 354 CO -0.00 0.31 -0.19 -1.61 0.02 0.00 0.00 176.35 174.88 1iwa s GLU 355 N -0.49 3.14 0.22 1.70 2.02 -1.26 -0.67 118.70 123.36 1iwa s GLU 355 Ca 0.07 -0.80 -0.29 0.00 0.02 0.00 0.00 54.97 53.97 1iwa s GLU 355 Cb -0.12 -2.49 -0.16 0.00 0.10 0.00 0.00 34.13 31.46 1iwa s GLU 355 CO 0.02 0.07 0.79 -2.13 0.02 0.00 0.00 175.26 174.04 1iwa n ARG 356 N 3.87 0.64 -3.14 1.61 0.63 -1.24 -4.90 116.66 114.12 1iwa n ARG 356 Ca -0.19 0.23 0.05 0.00 -0.92 0.00 0.00 57.85 57.01 1iwa n ARG 356 Cb 0.52 -1.44 -0.00 0.00 0.45 0.00 0.00 32.46 31.99 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 -0.69 -1.00 0.60 6.15 3.84 0.36 -5.01 114.94 119.19 1iwa s ASN 357 Ca 0.64 0.09 0.31 0.00 0.21 0.00 0.00 52.86 54.10 1iwa s ASN 357 Cb -0.85 1.61 1.85 0.00 -0.55 0.00 0.00 41.25 43.32 1iwa s ASN 357 CO 0.57 -0.18 2.25 -0.07 -2.79 0.00 0.00 177.10 176.88 1iwa h LEU 358 N 7.54 0.00 -0.44 3.21 -0.00 -1.91 -0.40 115.31 123.32 1iwa h LEU 358 Ca -0.05 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.65 1iwa h LEU 358 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.84 1iwa h LEU 358 CO 0.02 0.00 -0.72 1.56 -0.00 0.00 0.00 178.44 179.30 1iwa h GLN 359 N 0.00 0.36 0.04 1.13 4.20 -1.93 -3.19 115.11 115.73 1iwa h GLN 359 Ca 0.01 -0.29 -0.23 0.00 0.06 0.00 0.00 58.65 58.19 1iwa h GLN 359 Cb 0.06 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1iwa h GLN 359 CO -0.00 0.93 -1.11 0.93 -0.67 0.00 0.00 178.83 178.91 1iwa h GLU 360 N 0.25 0.09 0.00 1.46 5.08 -1.49 -3.41 114.58 116.56 1iwa h GLU 360 Ca -0.03 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1iwa h GLU 360 Cb 1.28 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1iwa h GLU 360 CO 0.12 1.05 0.00 0.41 -1.00 0.00 0.00 179.01 179.59 1iwa n GLY 361 N 1.42 0.76 3.55 -3.84 0.00 -0.27 -4.42 105.19 102.38 1iwa n GLY 361 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 4.08 0.00 0.99 1.02 -1.04 -4.78 118.68 118.94 1iwa s LEU 362 Ca 0.00 -0.06 0.27 0.00 0.02 0.00 0.00 54.13 54.36 1iwa s LEU 362 Cb 0.00 -3.05 0.87 0.00 0.02 0.00 0.00 46.19 44.04 1iwa s LEU 362 CO 0.00 -1.08 1.64 0.49 0.02 0.00 0.00 176.35 177.42 1iwa n PHE 363 N 7.18 0.00 -4.29 0.29 3.01 -1.26 -0.49 117.46 121.90 1iwa n PHE 363 Ca 0.04 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.31 1iwa n PHE 363 Cb 0.48 -0.14 -0.13 0.00 -0.01 0.00 0.00 39.48 39.68 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 -2.49 1.10 0.04 1.38 0.08 -1.26 -4.92 117.98 111.91 1iwa s PHE 364 Ca 0.26 -0.36 -0.27 0.00 0.12 0.00 0.00 56.93 56.68 1iwa s PHE 364 Cb 0.19 -0.65 -0.05 0.00 -0.57 0.00 0.00 43.02 41.94 1iwa s PHE 364 CO 0.51 0.02 0.84 -0.51 -0.10 0.00 0.00 175.22 175.98 1iwa s ASP 365 N -1.15 7.28 -0.14 1.36 -0.00 -1.26 -3.69 116.67 119.07 1iwa s ASP 365 Ca -0.00 1.54 -0.04 0.00 -0.00 0.00 0.00 52.55 54.05 1iwa s ASP 365 Cb -0.08 -2.51 0.07 0.00 -0.00 0.00 0.00 42.92 40.40 1iwa s ASP 365 CO 0.01 -0.07 0.19 -0.32 -0.00 0.00 0.00 175.17 174.98 1iwa s MET 366 N 0.24 0.11 0.41 8.23 1.75 0.15 -4.95 119.30 125.24 1iwa s MET 366 Ca 0.43 0.41 -0.24 0.00 -1.25 0.00 0.00 55.69 55.03 1iwa s MET 366 Cb -0.21 -0.71 -0.08 0.00 2.84 0.00 0.00 34.83 36.67 1iwa s MET 366 CO 0.25 -0.46 1.15 -1.21 -0.65 0.00 0.00 175.02 174.10 1iwa s GLU 367 N 2.31 4.00 0.00 4.11 0.41 -1.26 0.16 118.70 128.42 1iwa s GLU 367 Ca 0.04 1.77 0.23 0.00 -0.41 0.00 0.00 54.97 56.60 1iwa s GLU 367 Cb -0.14 -2.59 0.54 0.00 -1.78 0.00 0.00 34.13 30.17 1iwa s GLU 367 CO -0.09 -0.35 1.45 0.91 -0.49 0.00 0.00 175.26 176.70 1iwa n TRP 368 N -0.09 0.31 -2.30 1.61 7.02 -0.26 -4.81 117.44 118.92 1iwa n TRP 368 Ca 0.05 -0.16 -0.18 0.00 -1.02 0.00 0.00 57.50 56.19 1iwa n TRP 368 Cb 0.47 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.35 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 1.01 -0.62 -1.11 6.99 0.00 -1.26 -1.97 120.51 123.55 1iwa n ALA 369 Ca 0.18 0.17 -0.04 0.00 0.00 0.00 0.00 53.44 53.75 1iwa n ALA 369 Cb 0.50 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 17.95 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 -1.85 -4.53 -4.75 0.00 7.64 -1.26 -4.86 113.62 104.01 1iwa n SER 370 Ca -0.22 0.09 -0.37 0.00 1.01 0.00 0.00 58.87 59.39 1iwa n SER 370 Cb 0.66 -2.36 0.03 0.00 -1.01 0.00 0.00 64.21 61.53 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 -0.86 3.74 1.25 -3.43 1.43 -0.83 -4.98 118.68 115.01 1iwa s LEU 371 Ca 0.00 2.48 -0.17 0.00 -1.03 0.00 0.00 54.13 55.41 1iwa s LEU 371 Cb 0.00 -4.49 0.31 0.00 0.03 0.00 0.00 46.19 42.05 1iwa s LEU 371 CO 0.00 -1.54 1.00 -0.13 0.23 0.00 0.00 176.35 175.91 1iwa s ARG 372 N -3.16 -1.62 -0.13 1.70 0.52 -1.26 -4.98 118.95 110.02 1iwa s ARG 372 Ca 0.75 0.47 -0.08 0.00 -0.52 0.00 0.00 55.73 56.35 1iwa s ARG 372 Cb -0.33 -1.50 -0.04 0.00 0.52 0.00 0.00 34.95 33.60 1iwa s ARG 372 CO 0.37 -4.09 0.14 0.15 0.02 0.00 0.00 175.30 171.89 1iwa s LYS 373 N -4.79 3.59 0.02 3.54 1.02 -1.26 -4.47 119.74 117.39 1iwa s LYS 373 Ca 0.68 -0.13 -0.19 0.00 0.02 0.00 0.00 55.97 56.35 1iwa s LYS 373 Cb -0.19 -3.23 -0.06 0.00 -0.52 0.00 0.00 37.83 33.83 1iwa s LYS 373 CO 0.61 0.69 0.55 0.08 -0.92 0.00 0.00 175.35 176.36 1iwa s VAL 374 N -0.77 4.87 -0.45 3.17 1.01 -0.26 -1.38 120.40 126.59 1iwa s VAL 374 Ca 0.14 1.15 -0.26 0.00 0.00 0.00 0.00 61.98 63.01 1iwa s VAL 374 Cb -0.12 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.41 1iwa s VAL 374 CO 0.03 0.50 0.96 -0.32 0.00 0.00 0.00 175.10 176.27 1iwa s MET 375 N -0.67 3.62 0.62 2.72 1.75 0.27 -4.37 119.30 123.24 1iwa s MET 375 Ca 0.29 0.30 -0.18 0.00 -1.25 0.00 0.00 55.69 54.85 1iwa s MET 375 Cb -0.18 -3.90 -0.02 0.00 2.84 0.00 0.00 34.83 33.56 1iwa s MET 375 CO 0.17 -1.21 1.18 -1.25 -0.65 0.00 0.00 175.02 173.26 1iwa s PRO 376 N 3.84 2.85 -0.07 4.11 0.04 -1.26 -1.96 135.00 142.55 1iwa s PRO 376 Ca 0.39 1.71 0.04 0.00 0.04 0.00 0.00 61.00 63.18 1iwa s PRO 376 Cb -0.10 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1iwa s PRO 376 CO 0.26 -1.27 -0.18 0.08 0.04 0.00 0.00 177.00 175.92 1iwa s VAL 377 N -1.81 1.56 -0.34 -0.36 1.01 -0.17 -1.60 120.40 118.69 1iwa s VAL 377 Ca 0.74 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1iwa s VAL 377 Cb -0.28 -1.36 0.06 0.00 0.00 0.00 0.00 36.38 34.81 1iwa s VAL 377 CO 0.36 0.45 0.09 0.00 0.00 0.00 0.00 175.10 175.99 1iwa s ALA 378 N 0.29 2.98 -0.02 5.51 0.00 -0.07 0.13 121.76 130.59 1iwa s ALA 378 Ca -0.11 -1.90 -0.02 0.00 0.00 0.00 0.00 51.96 49.93 1iwa s ALA 378 Cb -0.15 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.80 1iwa s ALA 378 CO 0.05 -1.40 0.06 0.45 0.00 0.00 0.00 175.76 174.91 1iwa s SER 379 N 1.46 -0.05 0.00 0.00 0.15 -1.26 -0.72 113.70 113.27 1iwa s SER 379 Ca -0.01 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.75 1iwa s SER 379 Cb -0.20 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1iwa s SER 379 CO 0.00 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.02 1iwa n GLY 380 N 3.15 0.71 3.79 9.45 0.00 -1.26 -4.70 105.19 116.34 1iwa n GLY 380 Ca -0.14 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.47 3.97 -0.02 0.00 -1.26 0.11 105.19 107.52 1iwa n GLY 381 Ca 0.00 0.19 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.37 2.34 -0.06 -0.61 -4.36 -1.26 -4.22 121.20 109.66 1iwa s ILE 382 Ca 0.50 -1.18 -0.30 0.00 -0.26 0.00 0.00 60.65 59.42 1iwa s ILE 382 Cb -0.25 -2.52 0.11 0.00 1.25 0.00 0.00 42.46 41.06 1iwa s ILE 382 CO 0.80 0.00 0.96 -1.38 0.24 0.00 0.00 174.94 175.56 1iwa s HIS 383 N -2.58 -0.31 0.32 1.37 -3.43 -1.26 -4.52 115.29 104.88 1iwa s HIS 383 Ca 0.52 0.25 -0.29 0.00 -0.80 0.00 0.00 55.06 54.73 1iwa s HIS 383 Cb -0.05 0.52 -0.12 0.00 -1.43 0.00 0.00 32.58 31.50 1iwa s HIS 383 CO 0.32 -0.46 1.52 0.00 -2.00 0.00 0.00 174.74 174.12 1iwa n ALA 384 N -0.09 2.28 0.00 -1.38 0.00 -1.26 -1.55 120.51 118.51 1iwa n ALA 384 Ca -0.07 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1iwa n ALA 384 Cb 0.61 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1iwa n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iwa n GLY 385 N 1.44 0.78 0.85 0.00 0.00 -1.26 -4.77 105.19 102.23 1iwa n GLY 385 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 1.97 -0.22 1.61 6.02 -0.59 -4.64 117.38 121.53 1iwa n GLN 386 Ca 0.00 -1.87 0.02 0.00 -0.01 0.00 0.00 57.00 55.14 1iwa n GLN 386 Cb 0.00 -1.39 0.13 0.00 1.02 0.00 0.00 30.24 30.00 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 3.61 0.23 -0.63 -1.09 4.05 -1.87 0.19 114.93 119.42 1iwa h MET 387 Ca 0.00 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.42 1iwa h MET 387 Cb 0.82 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.53 1iwa h MET 387 CO 0.00 0.16 0.41 1.12 0.23 0.00 0.00 176.91 178.83 1iwa h HIS 388 N 0.24 0.78 0.00 1.39 2.07 -1.90 -0.99 115.15 116.74 1iwa h HIS 388 Ca 0.35 0.02 -0.12 0.00 -2.85 0.00 0.00 60.37 57.77 1iwa h HIS 388 Cb 0.55 -0.26 -0.02 0.00 2.57 0.00 0.00 27.41 30.25 1iwa h HIS 388 CO -0.27 0.48 -0.56 -0.56 -3.07 0.00 0.00 177.93 173.95 1iwa h GLN 389 N 0.83 0.00 -0.35 5.12 3.07 -1.65 -2.00 115.11 120.14 1iwa h GLN 389 Ca 0.24 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.90 1iwa h GLN 389 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.49 1iwa h GLN 389 CO -0.07 0.56 -0.09 -0.07 0.09 0.00 0.00 178.83 179.25 1iwa h LEU 390 N 0.00 0.68 -0.41 0.06 3.38 -0.16 -1.24 115.31 117.63 1iwa h LEU 390 Ca -0.01 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 1iwa h LEU 390 Cb 1.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1iwa h LEU 390 CO 0.07 0.89 -0.05 0.40 0.09 0.00 0.00 178.44 179.84 1iwa h ILE 391 N 0.46 1.27 0.50 1.22 1.08 -1.17 0.05 117.51 120.92 1iwa h ILE 391 Ca 0.09 -1.11 -0.01 0.00 -0.39 0.00 0.00 64.86 63.44 1iwa h ILE 391 Cb 0.60 1.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.49 1iwa h ILE 391 CO 0.04 0.37 -0.44 -0.74 -0.69 0.00 0.00 178.15 176.69 1iwa h HIS 392 N 0.57 -1.19 0.48 1.37 -0.00 -1.24 -0.35 115.15 114.78 1iwa h HIS 392 Ca 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.46 1iwa h HIS 392 Cb 0.55 0.45 0.00 0.00 -0.00 0.00 0.00 27.41 28.42 1iwa h HIS 392 CO 0.04 -0.61 -0.23 1.88 -0.00 0.00 0.00 177.93 179.02 1iwa h TYR 393 N -0.93 -0.59 -0.22 5.26 0.05 -1.25 -3.38 116.97 115.91 1iwa h TYR 393 Ca -0.05 -0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.56 1iwa h TYR 393 Cb 0.80 0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.74 1iwa h TYR 393 CO -0.20 -0.33 -0.44 -0.07 -1.05 0.00 0.00 178.16 176.06 1iwa h LEU 394 N -1.14 0.77 0.00 3.88 3.38 -1.09 -3.47 115.31 117.64 1iwa h LEU 394 Ca -0.07 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1iwa h LEU 394 Cb 0.52 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1iwa h LEU 394 CO 0.11 1.17 0.00 0.61 0.09 0.00 0.00 178.44 180.42 1iwa n GLY 395 N 0.42 -1.47 0.08 0.83 0.00 -0.14 -4.75 105.19 100.15 1iwa n GLY 395 Ca -0.06 -1.96 -0.10 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 0.00 -5.93 1.61 4.81 -1.95 -3.44 114.58 109.69 1iwa h GLU 396 Ca 0.00 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.61 1iwa h GLU 396 Cb 0.00 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.27 1iwa h GLU 396 CO 0.00 0.49 1.47 -0.51 -0.73 0.00 0.00 179.01 179.73 1iwa s ASP 397 N -6.12 6.55 -0.03 1.04 1.01 -1.26 -2.83 116.67 115.04 1iwa s ASP 397 Ca -0.16 -1.63 -0.30 0.00 0.71 0.00 0.00 52.55 51.17 1iwa s ASP 397 Cb 0.02 -2.55 0.11 0.00 1.01 0.00 0.00 42.92 41.51 1iwa s ASP 397 CO 0.37 -1.41 0.99 0.54 0.21 0.00 0.00 175.17 175.87 1iwa s VAL 398 N 4.57 0.00 -0.28 -1.27 0.11 -1.26 -4.19 120.40 118.08 1iwa s VAL 398 Ca 0.45 -0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 59.39 1iwa s VAL 398 Cb -0.00 -1.17 0.04 0.00 -1.53 0.00 0.00 36.38 33.72 1iwa s VAL 398 CO -0.08 0.00 -0.02 -0.69 -3.33 0.00 0.00 175.10 170.97 1iwa s VAL 399 N -2.95 2.94 -0.20 2.04 1.01 -0.63 -1.06 120.40 121.55 1iwa s VAL 399 Ca 0.07 -1.27 -0.29 0.00 0.00 0.00 0.00 61.98 60.49 1iwa s VAL 399 Cb -0.01 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1iwa s VAL 399 CO -0.06 -0.01 1.01 -0.76 0.00 0.00 0.00 175.10 175.27 1iwa s LEU 400 N 1.27 4.13 -0.26 3.92 1.02 0.12 -0.89 118.68 128.00 1iwa s LEU 400 Ca -0.04 1.37 -0.01 0.00 0.02 0.00 0.00 54.13 55.48 1iwa s LEU 400 Cb -0.19 -3.50 0.04 0.00 0.02 0.00 0.00 46.19 42.56 1iwa s LEU 400 CO -0.02 -0.60 -0.06 -1.10 0.02 0.00 0.00 176.35 174.59 1iwa s GLN 401 N 2.88 2.66 -0.31 1.70 -0.21 0.10 -0.28 119.66 126.19 1iwa s GLN 401 Ca 0.44 -1.09 -0.08 0.00 0.02 0.00 0.00 55.36 54.65 1iwa s GLN 401 Cb -0.16 -2.99 0.01 0.00 1.00 0.00 0.00 33.01 30.87 1iwa s GLN 401 CO 0.09 -0.47 0.12 -0.06 -2.12 0.00 0.00 175.29 172.85 1iwa s PHE 402 N 1.27 3.18 0.00 0.91 0.40 -0.54 -4.20 117.98 119.00 1iwa s PHE 402 Ca -0.02 -0.90 0.00 0.00 -0.60 0.00 0.00 56.93 55.41 1iwa s PHE 402 Cb -0.18 -2.31 0.00 0.00 0.51 0.00 0.00 43.02 41.04 1iwa s PHE 402 CO -0.04 -0.57 0.00 0.41 0.70 0.00 0.00 175.22 175.72 1iwa n GLY 403 N 4.91 0.86 0.01 4.36 0.00 -1.26 -4.05 105.19 110.01 1iwa n GLY 403 Ca -0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.94 1iwa n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iwa n GLY 404 N 2.67 -0.93 0.00 -0.02 0.00 -1.26 -1.77 105.19 103.87 1iwa n GLY 404 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1iwa n GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iwa n GLY 405 N -0.26 -0.98 1.21 -0.02 0.00 -1.26 -1.94 105.19 101.93 1iwa n GLY 405 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.10 0.94 0.14 2.61 -1.04 -0.73 -4.80 114.28 110.29 1iwa n THR 406 Ca 0.18 0.31 0.06 0.00 -2.04 0.00 0.00 64.05 62.56 1iwa n THR 406 Cb 0.14 -1.36 0.52 0.00 -1.82 0.00 0.00 70.33 67.81 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 1.07 0.00 12.58 2.04 -1.62 -2.48 117.51 129.11 1iwa h ILE 407 Ca 0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 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 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.84 1iwa n GLY 408 N -1.41 -0.82 3.77 5.37 0.00 -0.82 -4.74 105.19 106.54 1iwa n GLY 408 Ca -0.00 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 3.22 0.12 1.61 5.04 -0.93 -4.94 115.29 117.41 1iwa s HIS 409 Ca 0.20 1.52 0.31 0.00 -1.54 0.00 0.00 55.06 55.55 1iwa s HIS 409 Cb 0.09 -3.53 1.25 0.00 0.04 0.00 0.00 32.58 30.43 1iwa s HIS 409 CO 0.15 -1.39 1.94 -1.00 -2.34 0.00 0.00 174.74 172.11 1iwa h PRO 410 N 3.44 0.00 -0.64 2.88 0.13 -1.91 -3.19 132.00 132.72 1iwa h PRO 410 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.66 0.06 0.00 -0.25 -0.23 0.00 0.00 178.00 178.24 1iwa n ASP 411 N -3.19 4.37 0.00 1.44 10.43 -1.26 -5.04 116.55 123.30 1iwa n ASP 411 Ca 0.00 -2.51 0.00 0.00 2.57 0.00 0.00 54.79 54.85 1iwa n ASP 411 Cb 0.34 -0.57 0.00 0.00 1.84 0.00 0.00 41.12 42.72 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 1.61 0.16 0.44 0.00 -1.20 -4.50 105.19 102.53 1iwa n GLY 412 Ca 0.22 -2.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.11 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 1.30 -0.72 -0.61 2.04 -1.85 -2.52 117.51 115.15 1iwa h ILE 413 Ca 0.00 -1.13 0.11 0.00 1.00 0.00 0.00 64.86 64.84 1iwa h ILE 413 Cb 0.00 1.58 -0.08 0.00 -0.74 0.00 0.00 36.82 37.58 1iwa h ILE 413 CO 0.00 0.35 0.33 1.56 0.00 0.00 0.00 178.15 180.38 1iwa h GLN 414 N 0.16 0.51 0.25 2.37 4.20 -1.88 -0.25 115.11 120.47 1iwa h GLN 414 Ca 0.05 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1iwa h GLN 414 Cb 0.57 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1iwa h GLN 414 CO 0.03 0.34 -0.12 0.00 -0.67 0.00 0.00 178.83 178.41 1iwa h ALA 415 N 1.47 -0.33 -0.59 3.87 0.00 -1.77 -0.18 119.26 121.73 1iwa h ALA 415 Ca 0.37 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.35 1iwa h ALA 415 Cb 0.47 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1iwa h ALA 415 CO -0.32 -0.67 0.41 0.78 0.00 0.00 0.00 179.25 179.45 1iwa h GLY 416 N -0.37 0.17 0.31 0.00 0.00 -0.93 -0.65 103.07 101.62 1iwa h GLY 416 Ca -0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1iwa h GLY 416 CO 0.06 0.02 -0.00 0.00 0.00 0.00 0.00 176.54 176.61 1iwa h ALA 417 N 1.71 -0.01 -0.50 3.60 0.00 -0.38 -3.14 119.26 120.54 1iwa h ALA 417 Ca 0.28 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1iwa h ALA 417 Cb 0.97 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 1iwa h ALA 417 CO -0.03 -0.16 0.19 1.15 0.00 0.00 0.00 179.25 180.40 1iwa h THR 418 N -0.70 0.84 -0.71 0.00 2.02 0.09 -1.05 112.91 113.40 1iwa h THR 418 Ca -0.00 -0.13 0.12 0.00 0.77 0.00 0.00 66.41 67.17 1iwa h THR 418 Cb 0.69 0.44 -0.08 0.00 -1.74 0.00 0.00 68.15 67.45 1iwa h THR 418 CO 0.00 0.07 0.31 0.00 0.37 0.00 0.00 175.52 176.27 1iwa h ALA 419 N 1.33 0.98 -0.12 6.16 0.00 -1.23 -0.19 119.26 126.19 1iwa h ALA 419 Ca 0.24 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1iwa h ALA 419 Cb 0.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1iwa h ALA 419 CO -0.24 -0.15 -0.21 -0.91 0.00 0.00 0.00 179.25 177.74 1iwa h ASN 420 N 0.50 0.39 -0.14 0.00 2.35 -1.30 -2.09 115.58 115.29 1iwa h ASN 420 Ca 0.37 -0.55 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1iwa h ASN 420 Cb 0.49 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1iwa h ASN 420 CO -0.34 0.87 0.08 -0.09 -1.65 0.00 0.00 177.43 176.30 1iwa h ARG 421 N -0.07 0.20 0.10 0.81 9.65 -0.86 -0.40 114.38 123.81 1iwa h ARG 421 Ca 0.01 -0.01 -0.16 0.00 -1.10 0.00 0.00 59.98 58.71 1iwa h ARG 421 Cb 0.79 -0.04 0.02 0.00 -1.39 0.00 0.00 29.97 29.35 1iwa h ARG 421 CO 0.05 0.14 -0.70 0.28 2.80 0.00 0.00 179.97 182.54 1iwa h VAL 422 N 0.20 1.51 -1.00 0.20 2.07 -1.02 -2.83 116.25 115.39 1iwa h VAL 422 Ca 0.05 -2.40 0.01 0.00 0.82 0.00 0.00 66.70 65.19 1iwa h VAL 422 Cb 0.00 3.05 -0.05 0.00 -1.52 0.00 0.00 31.29 32.77 1iwa h VAL 422 CO -0.01 0.68 0.66 0.00 0.02 0.00 0.00 177.57 178.92 1iwa h ALA 423 N 0.14 1.29 0.24 1.67 0.00 -1.09 0.30 119.26 121.82 1iwa h ALA 423 Ca -0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1iwa h ALA 423 Cb 1.51 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1iwa h ALA 423 CO 0.13 0.66 -0.12 1.25 0.00 0.00 0.00 179.25 181.16 1iwa h LEU 424 N 1.35 -0.30 -0.15 0.00 5.85 -1.13 -2.09 115.31 118.83 1iwa h LEU 424 Ca 0.37 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.07 1iwa h LEU 424 Cb -0.15 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1iwa h LEU 424 CO -0.08 -0.21 -0.01 -0.33 -0.34 0.00 0.00 178.44 177.47 1iwa h GLU 425 N -0.34 0.28 -0.77 1.25 5.08 -1.22 -2.47 114.58 116.39 1iwa h GLU 425 Ca -0.03 -0.09 0.11 0.00 -1.00 0.00 0.00 59.36 58.35 1iwa h GLU 425 Cb 0.27 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 1iwa h GLU 425 CO 0.05 0.52 0.50 0.00 -1.00 0.00 0.00 179.01 179.08 1iwa h ALA 426 N 0.75 1.88 -0.11 3.43 0.00 -0.95 0.07 119.26 124.33 1iwa h ALA 426 Ca 0.04 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1iwa h ALA 426 Cb 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1iwa h ALA 426 CO 0.01 -0.06 -0.23 1.98 0.00 0.00 0.00 179.25 180.95 1iwa h MET 427 N 0.61 0.35 0.00 0.00 1.85 -1.16 -1.83 114.93 114.75 1iwa h MET 427 Ca 0.36 -0.23 -0.05 0.00 -0.61 0.00 0.00 59.70 59.17 1iwa h MET 427 Cb 0.58 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.63 1iwa h MET 427 CO -0.14 0.83 -0.24 -0.84 -0.40 0.00 0.00 176.91 176.12 1iwa h ILE 428 N -0.08 0.48 -0.36 1.77 3.07 -1.12 0.12 117.51 121.39 1iwa h ILE 428 Ca 0.00 -1.41 -0.02 0.00 1.55 0.00 0.00 64.86 64.99 1iwa h ILE 428 Cb 0.82 2.02 -0.02 0.00 -0.27 0.00 0.00 36.82 39.38 1iwa h ILE 428 CO 0.05 0.24 0.15 0.25 -1.05 0.00 0.00 178.15 177.79 1iwa h LEU 429 N 0.00 0.48 -0.51 0.16 7.12 -0.96 0.49 115.31 122.08 1iwa h LEU 429 Ca -0.00 -0.15 -0.01 0.00 0.13 0.00 0.00 57.88 57.84 1iwa h LEU 429 Cb 1.00 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 40.99 1iwa h LEU 429 CO 0.03 0.50 0.27 0.00 -0.13 0.00 0.00 178.44 179.11 1iwa h ALA 430 N 1.00 0.66 0.13 1.25 0.00 -0.78 -0.90 119.26 120.62 1iwa h ALA 430 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1iwa h ALA 430 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1iwa h ALA 430 CO -0.01 0.19 -0.13 -0.09 0.00 0.00 0.00 179.25 179.21 1iwa h ARG 431 N 0.68 -0.27 -0.60 0.00 2.43 -0.00 -2.46 114.38 114.16 1iwa h ARG 431 Ca 0.18 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1iwa h ARG 431 Cb 0.07 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1iwa h ARG 431 CO -0.03 -0.18 0.40 -0.91 -1.51 0.00 0.00 179.97 177.74 1iwa h ASN 432 N -0.28 0.62 0.00 -3.80 4.21 0.16 -0.27 115.58 116.21 1iwa h ASN 432 Ca 0.00 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1iwa h ASN 432 Cb 0.27 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1iwa h ASN 432 CO -0.03 0.43 0.00 -0.62 -1.29 0.00 0.00 177.43 175.91 1iwa n GLU 433 N -4.46 0.55 -2.17 0.81 1.02 -0.36 -4.81 120.64 111.22 1iwa n GLU 433 Ca 0.07 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.04 1iwa n GLU 433 Cb 0.13 -1.07 -0.02 0.00 -0.02 0.00 0.00 31.44 30.46 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 -0.57 -4.94 -4.91 1.62 2.85 -0.11 -5.01 115.26 104.19 1iwa n ASN 434 Ca 0.02 0.06 -0.27 0.00 -0.11 0.00 0.00 54.58 54.28 1iwa n ASN 434 Cb 0.01 -4.02 0.00 0.00 1.24 0.00 0.00 39.78 37.01 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 -4.58 3.46 -1.26 1.20 0.52 -1.02 -4.97 118.95 112.31 1iwa s ARG 435 Ca 0.00 0.12 -0.12 0.00 -0.52 0.00 0.00 55.73 55.21 1iwa s ARG 435 Cb 0.00 -2.39 0.16 0.00 0.52 0.00 0.00 34.95 33.23 1iwa s ARG 435 CO 0.00 -0.23 1.67 -3.47 0.02 0.00 0.00 175.30 173.29 1iwa n ASP 436 N -2.25 5.09 -0.09 0.23 4.64 -1.26 -4.69 116.55 118.22 1iwa n ASP 436 Ca 0.01 -3.02 0.06 0.00 -1.38 0.00 0.00 54.79 50.45 1iwa n ASP 436 Cb 0.55 -1.55 0.40 0.00 -1.04 0.00 0.00 41.12 39.48 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 6.55 0.62 -0.66 -0.67 -0.00 -1.93 -0.95 116.97 119.93 1iwa h TYR 437 Ca 0.37 0.02 0.12 0.00 0.00 0.00 0.00 58.73 59.23 1iwa h TYR 437 Cb 0.76 -0.21 -0.08 0.00 0.00 0.00 0.00 36.73 37.20 1iwa h TYR 437 CO 1.20 0.36 0.22 1.25 -0.00 0.00 0.00 178.16 181.19 1iwa h LEU 438 N 0.64 0.17 0.00 0.10 6.46 -1.87 0.90 115.31 121.71 1iwa h LEU 438 Ca 0.23 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 58.09 1iwa h LEU 438 Cb 0.12 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1iwa h LEU 438 CO -0.06 0.08 -0.00 0.74 -0.62 0.00 0.00 178.44 178.58 1iwa h THR 439 N 0.37 1.67 0.00 1.05 2.02 -1.84 -3.31 112.91 112.87 1iwa h THR 439 Ca 0.35 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 65.34 1iwa h THR 439 Cb 0.49 3.13 0.00 0.00 -1.74 0.00 0.00 68.15 70.03 1iwa h THR 439 CO -0.37 0.55 0.00 -0.62 0.37 0.00 0.00 175.52 175.45 1iwa n GLU 440 N -4.64 0.82 -0.03 6.66 1.02 -0.41 -4.44 120.64 119.63 1iwa n GLU 440 Ca -0.09 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.03 1iwa n GLU 440 Cb 0.44 -1.30 -0.01 0.00 -0.02 0.00 0.00 31.44 30.55 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 4.45 -2.14 -0.38 0.62 0.00 0.74 0.82 103.07 107.18 1iwa h GLY 441 Ca 0.00 0.95 0.30 0.00 0.00 0.00 0.00 47.33 48.58 1iwa h GLY 441 CO 0.00 -0.79 0.66 -2.55 0.00 0.00 0.00 176.54 173.86 1iwa h PRO 442 N -0.02 0.36 -0.12 4.80 0.11 -1.85 -0.78 132.00 134.50 1iwa h PRO 442 Ca 0.01 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 1iwa h PRO 442 Cb 0.05 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1iwa h PRO 442 CO -0.07 0.24 -0.32 0.93 -0.21 0.00 0.00 178.00 178.56 1iwa h GLU 443 N 0.37 0.42 -0.49 1.05 4.39 -1.66 -1.61 114.58 117.05 1iwa h GLU 443 Ca 0.67 -0.30 0.08 0.00 0.34 0.00 0.00 59.36 60.16 1iwa h GLU 443 Cb 1.66 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 30.29 1iwa h GLU 443 CO -0.42 0.92 0.10 0.82 -1.16 0.00 0.00 179.01 179.26 1iwa h ILE 444 N 0.00 0.72 0.07 3.13 2.04 0.59 0.33 117.51 124.39 1iwa h ILE 444 Ca -0.01 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1iwa h ILE 444 Cb 0.94 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1iwa h ILE 444 CO 0.07 0.04 -0.03 -0.07 0.00 0.00 0.00 178.15 178.16 1iwa h LEU 445 N 0.23 -0.08 -1.19 1.44 3.38 -1.44 -2.18 115.31 115.47 1iwa h LEU 445 Ca 0.25 -0.27 0.19 0.00 0.09 0.00 0.00 57.88 58.14 1iwa h LEU 445 Cb 0.33 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 1iwa h LEU 445 CO -0.32 0.23 0.61 -0.09 0.09 0.00 0.00 178.44 178.96 1iwa h ARG 446 N -0.39 0.63 0.40 1.13 2.43 -0.73 0.31 114.38 118.16 1iwa h ARG 446 Ca -0.01 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1iwa h ARG 446 Cb 0.34 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1iwa h ARG 446 CO 0.02 0.42 -0.19 1.49 -1.51 0.00 0.00 179.97 180.19 1iwa h GLU 447 N 0.65 -0.51 0.00 0.20 4.57 -0.17 -3.02 114.58 116.30 1iwa h GLU 447 Ca 0.54 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.75 1iwa h GLU 447 Cb 0.98 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1iwa h GLU 447 CO -0.30 -0.20 -0.00 0.00 -1.18 0.00 0.00 179.01 177.33 1iwa h ALA 448 N -0.45 1.89 0.00 2.92 0.00 -0.70 -0.47 119.26 122.46 1iwa h ALA 448 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1iwa h ALA 448 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1iwa h ALA 448 CO 0.09 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1iwa n ALA 449 N -2.49 1.69 0.20 0.00 0.00 0.10 -2.13 120.51 117.88 1iwa n ALA 449 Ca -0.03 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.44 1iwa n ALA 449 Cb 0.09 -1.22 0.29 0.00 0.00 0.00 0.00 19.45 18.60 1iwa n ALA 449 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1iwa h LYS 450 N 0.00 0.00 0.00 0.00 1.57 -1.04 -3.18 116.57 113.92 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 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1iwa h LYS 450 CO 0.00 0.27 -1.24 2.41 -0.57 0.00 0.00 179.45 180.32 1iwa n THR 451 N -3.28 0.00 -3.88 -0.16 -1.04 -0.91 -4.84 114.28 100.18 1iwa n THR 451 Ca 0.01 -0.20 -0.30 0.00 -2.04 0.00 0.00 64.05 61.52 1iwa n THR 451 Cb 0.54 0.65 -0.15 0.00 -1.82 0.00 0.00 70.33 69.55 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 7.86 0.00 0.90 0.00 0.00 -1.89 -0.96 103.07 108.99 1iwa h GLY 453 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1iwa h GLY 453 CO 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 176.96 1iwa h ALA 454 N 1.89 -0.17 -0.54 3.60 0.00 -1.91 -1.77 119.26 120.37 1iwa h ALA 454 Ca 0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1iwa h ALA 454 Cb 0.30 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1iwa h ALA 454 CO -0.00 -0.55 0.02 1.25 0.00 0.00 0.00 179.25 179.98 1iwa h LEU 455 N -0.28 0.86 -0.23 0.00 5.85 -1.61 -2.52 115.31 117.38 1iwa h LEU 455 Ca -0.02 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.55 1iwa h LEU 455 Cb 0.22 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1iwa h LEU 455 CO 0.03 0.91 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.82 1iwa h ARG 456 N 0.83 -0.10 -0.59 1.25 2.43 -0.96 -1.94 114.38 115.31 1iwa h ARG 456 Ca 0.16 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1iwa h ARG 456 Cb 0.46 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1iwa h ARG 456 CO 0.02 -0.06 0.14 1.15 -1.51 0.00 0.00 179.97 179.71 1iwa h THR 457 N -0.10 1.25 -0.68 0.20 2.02 -1.21 -2.87 112.91 111.51 1iwa h THR 457 Ca 0.12 -0.91 0.08 0.00 0.77 0.00 0.00 66.41 66.48 1iwa h THR 457 Cb 0.29 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 1iwa h THR 457 CO -0.29 0.34 0.45 0.00 0.37 0.00 0.00 175.52 176.39 1iwa h ALA 458 N 1.03 1.83 -0.12 6.16 0.00 -0.99 -1.79 119.26 125.38 1iwa h ALA 458 Ca 0.18 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1iwa h ALA 458 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1iwa h ALA 458 CO 0.00 0.04 -0.61 -0.07 0.00 0.00 0.00 179.25 178.61 1iwa h LEU 459 N 0.61 0.46 -0.28 0.00 3.38 -1.15 -3.11 115.31 115.23 1iwa h LEU 459 Ca 0.31 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1iwa h LEU 459 Cb 0.40 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1iwa h LEU 459 CO -0.10 0.96 -0.15 0.44 0.09 0.00 0.00 178.44 179.68 1iwa h ASP 460 N 0.30 0.00 0.13 -0.43 3.32 -1.25 -2.97 116.42 115.52 1iwa h ASP 460 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1iwa h ASP 460 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1iwa h ASP 460 CO 0.11 0.15 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.64 1iwa h LEU 461 N 0.00 -0.14 -4.59 1.55 3.38 -1.31 -3.38 115.31 110.82 1iwa h LEU 461 Ca -0.00 -0.37 -0.63 0.00 0.09 0.00 0.00 57.88 56.97 1iwa h LEU 461 Cb 1.02 0.04 -0.39 0.00 0.09 0.00 0.00 40.66 41.41 1iwa h LEU 461 CO 0.02 0.46 -0.34 0.79 0.09 0.00 0.00 178.44 179.46 1iwa n TRP 462 N -4.86 3.30 0.05 1.13 8.01 -1.18 -4.69 117.44 119.19 1iwa n TRP 462 Ca -0.07 -2.92 -0.09 0.00 -1.31 0.00 0.00 57.50 53.12 1iwa n TRP 462 Cb 0.25 -0.34 -0.13 0.00 -2.01 0.00 0.00 31.31 29.09 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 2.65 0.04 0.00 -0.99 3.64 -1.71 -3.34 116.57 116.87 1iwa h LYS 463 Ca 0.36 -0.07 -0.22 0.00 -1.27 0.00 0.00 60.65 59.45 1iwa h LYS 463 Cb 0.75 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.56 1iwa h LYS 463 CO 0.98 0.92 -1.63 -0.25 -2.27 0.00 0.00 179.45 177.20 1iwa n ASP 464 N -3.31 0.73 -4.67 4.20 10.43 -1.26 -4.94 116.55 117.73 1iwa n ASP 464 Ca -0.06 0.33 -0.48 0.00 2.57 0.00 0.00 54.79 57.16 1iwa n ASP 464 Cb 0.98 0.26 -0.05 0.00 1.84 0.00 0.00 41.12 44.15 1iwa n ASP 464 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1iwa n ILE 465 N -2.89 0.32 -3.86 0.53 2.08 -1.25 -4.98 119.36 109.30 1iwa n ILE 465 Ca -0.14 -0.06 -0.10 0.00 0.56 0.00 0.00 62.75 63.02 1iwa n ILE 465 Cb 0.93 -1.69 -0.06 0.00 -0.75 0.00 0.00 39.64 38.06 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 2.65 0.07 -0.43 1.39 -1.32 -1.26 -5.07 115.64 111.66 1iwa s THR 466 Ca 0.87 -1.14 0.03 0.00 -1.21 0.00 0.00 61.69 60.24 1iwa s THR 466 Cb -0.70 -1.65 0.16 0.00 -1.51 0.00 0.00 72.50 68.79 1iwa s THR 466 CO 0.46 -0.30 0.31 -0.36 -2.21 0.00 0.00 174.62 172.52 1iwa s PHE 467 N -3.92 1.41 -0.44 9.09 0.08 -1.26 -5.09 117.98 117.86 1iwa s PHE 467 Ca 0.12 -2.27 -0.08 0.00 0.12 0.00 0.00 56.93 54.82 1iwa s PHE 467 Cb 0.02 -1.27 0.10 0.00 -0.57 0.00 0.00 43.02 41.31 1iwa s PHE 467 CO -0.03 -0.79 0.29 -0.80 -0.10 0.00 0.00 175.22 173.79 1iwa s ASN 468 N 0.20 5.58 0.14 1.36 -0.87 -1.26 -4.89 114.94 115.20 1iwa s ASN 468 Ca 0.26 -1.80 0.03 0.00 -1.57 0.00 0.00 52.86 49.78 1iwa s ASN 468 Cb -0.09 -1.96 -0.04 0.00 -0.02 0.00 0.00 41.25 39.14 1iwa s ASN 468 CO -0.11 -0.61 -0.07 -0.31 -2.57 0.00 0.00 177.10 173.43 1iwa s TYR 469 N 1.34 1.16 0.13 2.20 1.51 -1.26 -5.12 117.35 117.31 1iwa s TYR 469 Ca 0.05 -0.84 -0.30 0.00 -1.01 0.00 0.00 57.07 54.96 1iwa s TYR 469 Cb -0.25 -0.63 -0.07 0.00 -0.11 0.00 0.00 41.96 40.91 1iwa s TYR 469 CO -0.01 -0.03 1.24 0.99 -1.11 0.00 0.00 175.55 176.64 1iwa s THR 470 N -3.46 3.66 0.62 -0.71 2.01 -1.26 -5.00 115.64 111.50 1iwa s THR 470 Ca 0.17 1.27 -0.17 0.00 0.31 0.00 0.00 61.69 63.27 1iwa s THR 470 Cb 0.04 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 1iwa s THR 470 CO -0.00 0.14 1.16 -0.44 -0.69 0.00 0.00 174.62 174.79 1iwa s SER 471 N 0.67 5.17 -0.25 3.53 0.01 -1.26 -4.97 113.70 116.60 1iwa s SER 471 Ca 0.58 2.21 -0.02 0.00 1.31 0.00 0.00 55.95 60.02 1iwa s SER 471 Cb -0.33 -2.58 -0.15 0.00 0.21 0.00 0.00 66.02 63.18 1iwa s SER 471 CO 0.33 -1.59 -0.25 0.35 0.41 0.00 0.00 173.24 172.49 1iwa n THR 472 N -1.92 1.40 -3.24 1.44 -2.24 -1.26 -4.74 114.28 103.72 1iwa n THR 472 Ca 0.12 -0.49 -0.46 0.00 -2.27 0.00 0.00 64.05 60.95 1iwa n THR 472 Cb 0.51 -1.49 -0.02 0.00 -2.10 0.00 0.00 70.33 67.23 1iwa n THR 472 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iwa s ASP 473 N -6.61 6.83 0.56 3.42 2.15 -1.25 -4.44 116.67 117.32 1iwa s ASP 473 Ca -0.34 -2.71 0.08 0.00 0.43 0.00 0.00 52.55 50.01 1iwa s ASP 473 Cb 0.10 -2.25 0.07 0.00 -0.30 0.00 0.00 42.92 40.53 1iwa s ASP 473 CO 0.54 -0.63 0.60 -0.89 -0.17 0.00 0.00 175.17 174.62 1iwa s THR 474 N 0.48 1.87 0.30 1.71 2.01 -1.26 -4.69 115.64 116.06 1iwa s THR 474 Ca 0.23 -1.25 0.03 0.00 0.31 0.00 0.00 61.69 61.01 1iwa s THR 474 Cb -0.09 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 1iwa s THR 474 CO -0.09 0.00 0.47 -0.55 -0.69 0.00 0.00 174.62 173.76 1iwa s SER 475 N -4.48 6.29 0.00 3.53 0.15 -1.26 -5.02 113.70 112.91 1iwa s SER 475 Ca 0.48 0.26 0.15 0.00 0.70 0.00 0.00 55.95 57.54 1iwa s SER 475 Cb -0.04 -1.92 0.08 0.00 -1.71 0.00 0.00 66.02 62.43 1iwa s SER 475 CO 0.30 -0.21 0.93 0.47 1.20 0.00 0.00 173.24 175.93 1iwa n ASP 476 N -1.62 2.04 -3.37 5.45 8.00 -1.26 -4.67 116.55 121.11 1iwa n ASP 476 Ca -0.06 -1.52 -0.26 0.00 0.71 0.00 0.00 54.79 53.66 1iwa n ASP 476 Cb 0.57 0.15 -0.08 0.00 -0.02 0.00 0.00 41.12 41.74 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 0.53 1.27 0.50 1.24 3.01 -1.26 -4.73 117.46 118.02 1iwa n PHE 477 Ca 0.08 -3.80 0.06 0.00 1.01 0.00 0.00 57.45 54.80 1iwa n PHE 477 Cb 0.36 -0.36 0.05 0.00 -0.01 0.00 0.00 39.48 39.52 1iwa n PHE 477 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10