#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwa n ARG 7 N 0.00 1.38 -1.66 -0.78 0.00 -1.26 -5.04 116.66 109.31 1iwa n ARG 7 Ca 0.00 -2.87 -0.30 0.00 -0.00 0.00 0.00 57.85 54.68 1iwa n ARG 7 Cb 0.00 -1.52 0.08 0.00 -0.00 0.00 0.00 32.46 31.03 1iwa n ARG 7 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1iwa s ILE 8 N -2.95 2.97 0.36 8.89 1.01 -1.26 -5.08 121.20 125.13 1iwa s ILE 8 Ca 0.34 0.32 0.08 0.00 0.00 0.00 0.00 60.65 61.39 1iwa s ILE 8 Cb 0.32 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1iwa s ILE 8 CO -0.02 -0.41 0.16 -0.54 0.00 0.00 0.00 174.94 174.13 1iwa s LYS 9 N -5.25 2.35 -0.44 2.79 3.01 -1.26 -5.11 119.74 115.83 1iwa s LYS 9 Ca 0.61 -1.60 0.03 0.00 -1.01 0.00 0.00 55.97 54.00 1iwa s LYS 9 Cb -0.13 -2.15 0.16 0.00 -1.01 0.00 0.00 37.83 34.70 1iwa s LYS 9 CO 0.53 0.06 0.34 1.21 0.51 0.00 0.00 175.35 178.00 1iwa s ASN 10 N -3.87 2.27 0.00 2.83 3.84 -1.26 -4.62 114.94 114.13 1iwa s ASN 10 Ca 0.39 -3.02 0.00 0.00 0.21 0.00 0.00 52.86 50.44 1iwa s ASN 10 Cb -0.01 -0.64 0.00 0.00 -0.55 0.00 0.00 41.25 40.05 1iwa s ASN 10 CO 0.23 -0.19 0.00 -1.54 -2.79 0.00 0.00 177.10 172.81 1iwa n SER 11 N 2.95 0.00 0.31 -4.21 3.41 -1.26 -4.97 113.62 109.85 1iwa n SER 11 Ca 0.24 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 59.05 1iwa n SER 11 Cb 0.44 0.00 1.01 0.00 -0.26 0.00 0.00 64.21 65.39 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 0.00 -0.27 4.33 9.65 -2.02 -2.71 114.38 123.37 1iwa h ARG 12 Ca 0.00 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.74 1iwa h ARG 12 Cb 0.00 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.50 1iwa h ARG 12 CO 0.00 0.01 -0.20 0.66 2.80 0.00 0.00 179.97 183.24 1iwa n TYR 13 N -3.17 0.82 -2.93 2.20 4.02 -1.26 -4.93 117.16 111.91 1iwa n TYR 13 Ca -0.02 -1.60 -0.38 0.00 -0.01 0.00 0.00 57.90 55.90 1iwa n TYR 13 Cb 0.16 -0.43 -0.06 0.00 -0.02 0.00 0.00 39.34 38.98 1iwa n TYR 13 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1iwa s GLU 14 N -3.26 4.53 0.56 -0.72 2.12 -1.02 -4.57 118.70 116.34 1iwa s GLU 14 Ca 0.43 1.17 -0.20 0.00 0.36 0.00 0.00 54.97 56.73 1iwa s GLU 14 Cb 0.40 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.69 1iwa s GLU 14 CO -0.02 0.45 1.11 0.43 -0.54 0.00 0.00 175.26 176.68 1iwa n SER 15 N 1.09 1.49 0.00 -1.70 7.64 -1.26 -4.80 113.62 116.07 1iwa n SER 15 Ca -0.02 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1iwa n SER 15 Cb 0.49 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 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 1.09 3.42 3.82 0.23 0.00 -1.26 -5.00 105.19 107.50 1iwa n GLY 16 Ca 0.12 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.09 5.34 -0.02 1.61 1.01 -1.26 -1.99 120.40 123.01 1iwa s VAL 17 Ca 0.00 0.43 -0.04 0.00 0.00 0.00 0.00 61.98 62.36 1iwa s VAL 17 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1iwa s VAL 17 CO 0.00 0.54 0.10 0.27 0.00 0.00 0.00 175.10 176.01 1iwa s ILE 18 N -0.56 0.04 0.32 2.22 -4.36 -1.26 -5.02 121.20 112.59 1iwa s ILE 18 Ca 0.16 -0.37 -0.27 0.00 -0.26 0.00 0.00 60.65 59.91 1iwa s ILE 18 Cb -0.13 -0.27 -0.13 0.00 1.25 0.00 0.00 42.46 43.18 1iwa s ILE 18 CO 0.05 -0.20 1.05 -0.81 0.24 0.00 0.00 174.94 175.27 1iwa n PRO 19 N 2.28 1.48 -0.18 0.37 -0.04 -1.26 -4.82 135.00 132.83 1iwa n PRO 19 Ca -0.18 0.52 -0.01 0.00 -0.04 0.00 0.00 63.50 63.79 1iwa n PRO 19 Cb 0.57 -1.96 0.09 0.00 -0.04 0.00 0.00 33.50 32.16 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 1.99 0.23 0.00 0.54 0.05 -1.92 0.21 116.97 118.07 1iwa h TYR 20 Ca -0.42 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.40 1iwa h TYR 20 Cb 1.33 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 39.05 1iwa h TYR 20 CO 0.47 0.02 0.06 0.00 -1.05 0.00 0.00 178.16 177.66 1iwa n ALA 21 N -2.52 0.89 0.78 3.88 0.00 -1.26 0.33 120.51 122.60 1iwa n ALA 21 Ca 0.07 0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.63 1iwa n ALA 21 Cb 0.27 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 1iwa n ALA 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1iwa n LYS 22 N -1.58 1.57 -0.04 0.00 3.00 0.71 -4.41 118.16 117.41 1iwa n LYS 22 Ca -0.00 -0.40 0.12 0.00 -0.00 0.00 0.00 58.31 58.03 1iwa n LYS 22 Cb 0.07 -1.30 0.38 0.00 0.00 0.00 0.00 35.03 34.18 1iwa n LYS 22 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1iwa n MET 22 N -0.78 1.88 0.00 1.64 2.81 0.15 -4.92 117.12 117.90 1iwa n MET 22 Ca 0.05 -1.29 0.00 0.00 -1.81 0.00 0.00 57.70 54.65 1iwa n MET 22 Cb 0.31 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 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 1.22 0.71 0.18 3.03 0.00 -1.24 -4.97 105.19 104.12 1iwa n GLY 23 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.61 0.00 -4.07 1.61 4.01 -1.25 -4.70 117.16 111.15 1iwa n TYR 24 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.41 1iwa n TYR 24 Cb 0.00 -0.16 -0.15 0.00 -0.31 0.00 0.00 39.34 38.72 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 -2.57 2.96 -0.44 -0.72 -0.11 -1.26 -0.34 118.94 116.46 1iwa s TRP 25 Ca 0.23 -1.77 0.05 0.00 1.22 0.00 0.00 56.10 55.84 1iwa s TRP 25 Cb 0.19 -1.96 0.17 0.00 -1.50 0.00 0.00 33.47 30.38 1iwa s TRP 25 CO 0.53 -0.80 0.51 1.21 -4.62 0.00 0.00 176.95 173.78 1iwa s ASN 26 N 1.26 0.12 0.00 5.86 2.47 -0.44 -4.94 114.94 119.27 1iwa s ASN 26 Ca 0.01 -1.99 0.04 0.00 0.42 0.00 0.00 52.86 51.34 1iwa s ASN 26 Cb -0.15 0.85 0.26 0.00 -1.45 0.00 0.00 41.25 40.75 1iwa s ASN 26 CO -0.09 -0.16 0.66 -0.81 -3.72 0.00 0.00 177.10 172.98 1iwa n PRO 27 N 3.42 0.17 -0.03 0.43 -0.04 -1.26 -1.42 135.00 136.27 1iwa n PRO 27 Ca 0.19 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.68 1iwa n PRO 27 Cb 0.51 -1.39 0.04 0.00 -0.04 0.00 0.00 33.50 32.62 1iwa n PRO 27 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1iwa n ASP 28 N -0.89 1.83 -4.75 3.54 10.43 -1.26 -4.89 116.55 120.55 1iwa n ASP 28 Ca 0.03 -1.49 -0.41 0.00 2.57 0.00 0.00 54.79 55.48 1iwa n ASP 28 Cb 0.01 -0.04 -0.02 0.00 1.84 0.00 0.00 41.12 42.92 1iwa n ASP 28 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1iwa s TYR 29 N -0.67 2.80 -0.44 1.24 5.04 -0.51 -4.97 117.35 119.84 1iwa s TYR 29 Ca 0.09 0.94 -0.18 0.00 -2.44 0.00 0.00 57.07 55.48 1iwa s TYR 29 Cb 0.06 -3.98 0.03 0.00 0.35 0.00 0.00 41.96 38.42 1iwa s TYR 29 CO 0.08 -3.17 0.53 -0.65 -1.34 0.00 0.00 175.55 170.99 1iwa s GLN 30 N -0.81 3.14 0.48 4.97 -1.52 -1.26 -5.03 119.66 119.62 1iwa s GLN 30 Ca 0.60 -0.71 -0.24 0.00 -1.95 0.00 0.00 55.36 53.06 1iwa s GLN 30 Cb -0.46 -4.00 -0.08 0.00 -0.22 0.00 0.00 33.01 28.26 1iwa s GLN 30 CO 0.50 -0.97 1.29 0.28 -0.25 0.00 0.00 175.29 176.13 1iwa n VAL 31 N 5.57 3.04 -4.62 1.09 0.31 -1.26 -5.01 118.33 117.45 1iwa n VAL 31 Ca -0.06 -0.50 -0.32 0.00 -0.01 0.00 0.00 64.34 63.45 1iwa n VAL 31 Cb 0.47 -1.60 -0.12 0.00 -0.91 0.00 0.00 33.84 31.69 1iwa n VAL 31 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1iwa s LYS 32 N -2.47 2.50 0.62 5.55 1.02 -1.26 -4.99 119.74 120.71 1iwa s LYS 32 Ca 0.65 -0.72 0.28 0.00 0.02 0.00 0.00 55.97 56.20 1iwa s LYS 32 Cb -0.47 -2.44 1.53 0.00 -0.52 0.00 0.00 37.83 35.93 1iwa s LYS 32 CO 0.55 0.61 1.85 -0.44 -0.92 0.00 0.00 175.35 176.99 1iwa h ASP 33 N 4.85 0.00 0.04 2.83 3.45 -2.03 0.45 116.42 126.00 1iwa h ASP 33 Ca -0.48 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.98 1iwa h ASP 33 Cb 1.16 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 1iwa h ASP 33 CO 0.52 0.00 -0.28 0.35 -1.57 0.00 0.00 179.24 178.26 1iwa n THR 34 N -2.78 0.00 -2.24 0.35 -2.24 -1.26 -4.27 114.28 101.84 1iwa n THR 34 Ca -0.02 -0.28 -0.33 0.00 -2.27 0.00 0.00 64.05 61.16 1iwa n THR 34 Cb 0.36 1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 69.61 1iwa n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1iwa s ASP 35 N -2.34 6.20 -0.21 3.42 1.01 0.16 -3.85 116.67 121.05 1iwa s ASP 35 Ca 0.24 1.72 -0.12 0.00 0.71 0.00 0.00 52.55 55.10 1iwa s ASP 35 Cb 0.19 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.55 1iwa s ASP 35 CO 0.48 -0.88 0.21 -0.69 0.21 0.00 0.00 175.17 174.50 1iwa s VAL 36 N -2.48 5.34 -0.04 -1.27 1.01 0.57 -3.83 120.40 119.70 1iwa s VAL 36 Ca 0.62 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.95 1iwa s VAL 36 Cb -0.13 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1iwa s VAL 36 CO 0.33 0.36 -0.12 -0.76 0.00 0.00 0.00 175.10 174.91 1iwa s LEU 37 N 0.83 2.87 0.04 3.92 1.43 -0.11 -0.13 118.68 127.52 1iwa s LEU 37 Ca 0.11 -0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1iwa s LEU 37 Cb -0.13 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 1iwa s LEU 37 CO 0.03 0.34 -0.14 0.00 0.23 0.00 0.00 176.35 176.82 1iwa s ALA 38 N -0.79 1.12 -0.23 4.21 0.00 -0.61 0.92 121.76 126.39 1iwa s ALA 38 Ca 0.12 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1iwa s ALA 38 Cb -0.11 -0.17 0.06 0.00 0.00 0.00 0.00 23.12 22.90 1iwa s ALA 38 CO 0.02 0.21 -0.08 -1.17 0.00 0.00 0.00 175.76 174.74 1iwa s LEU 39 N -1.13 2.70 -0.02 0.00 1.98 -0.21 -1.57 118.68 120.42 1iwa s LEU 39 Ca 0.01 -1.16 -0.01 0.00 -2.89 0.00 0.00 54.13 50.08 1iwa s LEU 39 Cb -0.08 -1.27 -0.04 0.00 0.66 0.00 0.00 46.19 45.46 1iwa s LEU 39 CO 0.01 -0.21 0.07 -0.36 -1.89 0.00 0.00 176.35 173.97 1iwa s PHE 40 N 1.33 3.27 -0.45 5.38 0.08 -0.83 -0.85 117.98 125.90 1iwa s PHE 40 Ca -0.06 0.22 -0.14 0.00 0.12 0.00 0.00 56.93 57.07 1iwa s PHE 40 Cb -0.19 -1.75 0.06 0.00 -0.57 0.00 0.00 43.02 40.58 1iwa s PHE 40 CO -0.06 0.55 0.36 0.50 -0.10 0.00 0.00 175.22 176.46 1iwa s ARG 41 N -1.57 2.93 -0.16 0.44 3.52 1.00 -1.33 118.95 123.77 1iwa s ARG 41 Ca 0.21 -1.31 -0.10 0.00 -0.13 0.00 0.00 55.73 54.40 1iwa s ARG 41 Cb -0.12 -4.05 -0.05 0.00 -1.56 0.00 0.00 34.95 29.17 1iwa s ARG 41 CO 0.11 -0.97 0.18 0.08 -0.81 0.00 0.00 175.30 173.89 1iwa s VAL 42 N 1.62 5.40 -0.53 7.11 1.01 0.10 -1.77 120.40 133.34 1iwa s VAL 42 Ca 0.04 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.35 1iwa s VAL 42 Cb -0.23 -3.49 0.14 0.00 0.00 0.00 0.00 36.38 32.79 1iwa s VAL 42 CO 0.07 0.48 0.28 -0.89 0.00 0.00 0.00 175.10 175.04 1iwa s THR 43 N -0.02 2.39 0.69 3.92 2.01 -0.07 -1.03 115.64 123.53 1iwa s THR 43 Ca 0.12 -3.30 -0.15 0.00 0.31 0.00 0.00 61.69 58.67 1iwa s THR 43 Cb -0.12 -2.65 0.02 0.00 0.01 0.00 0.00 72.50 69.75 1iwa s THR 43 CO 0.01 -0.84 1.15 -2.16 -0.69 0.00 0.00 174.62 172.09 1iwa s PRO 44 N -0.32 2.53 0.52 4.92 0.04 -1.26 -0.31 135.00 141.12 1iwa s PRO 44 Ca 0.18 1.55 -0.22 0.00 0.04 0.00 0.00 61.00 62.55 1iwa s PRO 44 Cb -0.23 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 1iwa s PRO 44 CO -0.02 -1.49 1.26 -0.65 0.04 0.00 0.00 177.00 176.13 1iwa s GLN 45 N -4.00 3.35 0.28 4.56 -1.52 -0.08 -4.41 119.66 117.85 1iwa s GLN 45 Ca 0.70 1.98 -0.30 0.00 -1.95 0.00 0.00 55.36 55.79 1iwa s GLN 45 Cb -0.24 -2.26 -0.11 0.00 -0.22 0.00 0.00 33.01 30.17 1iwa s GLN 45 CO 0.43 -0.94 1.62 -1.25 -0.25 0.00 0.00 175.29 174.90 1iwa s PRO 46 N -2.89 4.11 0.00 2.91 0.04 -1.26 -1.44 135.00 136.47 1iwa s PRO 46 Ca 0.69 2.60 0.00 0.00 0.04 0.00 0.00 61.00 64.33 1iwa s PRO 46 Cb -0.34 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1iwa s PRO 46 CO 0.40 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.19 1iwa n GLY 47 N 2.40 1.11 3.60 0.56 0.00 -1.26 -5.05 105.19 106.55 1iwa n GLY 47 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.26 5.32 0.10 1.61 1.01 -0.52 -5.04 120.40 120.61 1iwa s VAL 48 Ca 0.00 0.17 -0.32 0.00 0.00 0.00 0.00 61.98 61.83 1iwa s VAL 48 Cb 0.00 -3.52 -0.11 0.00 0.00 0.00 0.00 36.38 32.75 1iwa s VAL 48 CO 0.00 0.27 1.82 -0.67 0.00 0.00 0.00 175.10 176.53 1iwa n ASP 49 N 4.89 3.90 -0.31 3.32 -0.08 -1.26 -4.75 116.55 122.26 1iwa n ASP 49 Ca -0.14 0.99 0.13 0.00 -1.51 0.00 0.00 54.79 54.26 1iwa n ASP 49 Cb 0.52 -1.52 0.30 0.00 2.34 0.00 0.00 41.12 42.77 1iwa n ASP 49 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1iwa h PRO 50 N 8.43 0.44 -0.45 -0.67 0.13 -1.96 0.10 132.00 138.03 1iwa h PRO 50 Ca -0.47 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1iwa h PRO 50 Cb 1.23 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1iwa h PRO 50 CO 0.94 0.29 0.15 0.82 -0.23 0.00 0.00 178.00 179.98 1iwa h ILE 51 N 0.46 1.18 -0.27 -3.56 2.04 -1.99 0.16 117.51 115.53 1iwa h ILE 51 Ca 0.56 -0.60 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 1iwa h ILE 51 Cb 1.02 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1iwa h ILE 51 CO -0.50 0.23 -0.04 -0.08 0.00 0.00 0.00 178.15 177.77 1iwa h GLU 52 N 0.64 0.51 -0.49 2.37 4.57 -1.20 0.14 114.58 121.12 1iwa h GLU 52 Ca 0.15 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1iwa h GLU 52 Cb 0.18 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1iwa h GLU 52 CO -0.01 0.70 0.29 0.00 -1.18 0.00 0.00 179.01 178.80 1iwa h ALA 53 N 0.79 0.62 -0.65 2.92 0.00 -0.68 0.19 119.26 122.45 1iwa h ALA 53 Ca 0.07 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1iwa h ALA 53 Cb 0.49 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1iwa h ALA 53 CO 0.02 0.12 0.42 0.00 0.00 0.00 0.00 179.25 179.81 1iwa h ALA 54 N 1.13 0.84 -0.09 0.00 0.00 -0.53 -1.23 119.26 119.38 1iwa h ALA 54 Ca 0.17 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1iwa h ALA 54 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1iwa h ALA 54 CO -0.03 0.21 -0.28 0.00 0.00 0.00 0.00 179.25 179.15 1iwa h ALA 55 N 1.26 1.37 -0.32 0.00 0.00 -0.30 -1.92 119.26 119.35 1iwa h ALA 55 Ca 0.25 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1iwa h ALA 55 Cb -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1iwa h ALA 55 CO -0.08 0.45 -0.34 0.00 0.00 0.00 0.00 179.25 179.28 1iwa h ALA 56 N 1.57 0.80 -0.38 0.00 0.00 0.45 -1.13 119.26 120.56 1iwa h ALA 56 Ca 0.02 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 1iwa h ALA 56 Cb 0.58 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1iwa h ALA 56 CO 0.04 0.65 -0.26 0.28 0.00 0.00 0.00 179.25 179.95 1iwa h VAL 57 N 0.60 1.28 -0.28 0.00 2.07 -0.92 -1.76 116.25 117.24 1iwa h VAL 57 Ca 0.06 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 1iwa h VAL 57 Cb 0.86 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1iwa h VAL 57 CO 0.08 0.47 0.10 0.00 0.02 0.00 0.00 177.57 178.24 1iwa h ALA 58 N 0.78 0.37 0.17 1.67 0.00 -1.21 -2.78 119.26 118.26 1iwa h ALA 58 Ca 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1iwa h ALA 58 Cb 0.84 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1iwa h ALA 58 CO 0.07 -0.02 -0.08 0.78 0.00 0.00 0.00 179.25 180.00 1iwa h GLY 59 N 0.30 -0.24 2.00 0.00 0.00 -1.21 -3.18 103.07 100.75 1iwa h GLY 59 Ca 0.09 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1iwa h GLY 59 CO -0.01 -0.09 0.00 0.83 0.00 0.00 0.00 176.54 177.28 1iwa h GLU 60 N -0.74 0.00 -0.52 4.80 4.39 -1.41 -0.15 114.58 120.94 1iwa h GLU 60 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1iwa h GLU 60 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1iwa h GLU 60 CO 0.04 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.76 1iwa n SER 61 N -2.48 4.66 0.00 1.42 3.41 -1.05 -4.74 113.62 114.84 1iwa n SER 61 Ca -0.01 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 1iwa n SER 61 Cb 0.09 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1iwa n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1iwa n SER 62 N 0.61 0.00 0.00 4.04 3.41 -0.20 -4.46 113.62 117.03 1iwa n SER 62 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1iwa n SER 62 Cb 0.92 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 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 -1.31 0.00 -2.10 6.66 -2.24 -0.96 -5.00 114.28 109.33 1iwa n THR 63 Ca 0.00 -0.09 -0.28 0.00 -2.27 0.00 0.00 64.05 61.42 1iwa n THR 63 Cb 0.00 1.80 0.12 0.00 -2.10 0.00 0.00 70.33 70.15 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 -0.00 2.80 0.27 6.98 0.00 -0.45 -5.03 121.76 126.33 1iwa s ALA 64 Ca 0.00 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.71 1iwa s ALA 64 Cb 0.00 -2.65 0.01 0.00 0.00 0.00 0.00 23.12 20.48 1iwa s ALA 64 CO 0.00 -1.82 0.60 -0.08 0.00 0.00 0.00 175.76 174.46 1iwa s THR 65 N -3.53 0.00 0.32 0.00 -1.32 -1.26 -4.67 115.64 105.18 1iwa s THR 65 Ca 0.66 -1.23 0.38 0.00 -1.21 0.00 0.00 61.69 60.30 1iwa s THR 65 Cb -0.07 -2.18 0.41 0.00 -1.51 0.00 0.00 72.50 69.15 1iwa s THR 65 CO 0.49 0.00 2.14 4.11 -2.21 0.00 0.00 174.62 179.14 1iwa h TRP 66 N 2.13 0.00 -3.46 9.09 5.08 -2.00 -3.44 115.95 123.36 1iwa h TRP 66 Ca -0.24 0.00 -0.33 0.00 1.08 0.00 0.00 58.89 59.40 1iwa h TRP 66 Cb 1.25 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 27.26 1iwa h TRP 66 CO 0.51 0.00 -0.72 -0.08 -1.28 0.00 0.00 178.44 176.88 1iwa s THR 67 N -3.86 1.14 0.26 0.12 -1.32 -1.26 -4.59 115.64 106.14 1iwa s THR 67 Ca -0.01 -1.97 -0.29 0.00 -1.21 0.00 0.00 61.69 58.20 1iwa s THR 67 Cb 0.11 -1.75 -0.09 0.00 -1.51 0.00 0.00 72.50 69.25 1iwa s THR 67 CO 0.49 -0.70 1.19 -0.69 -2.21 0.00 0.00 174.62 172.71 1iwa s VAL 68 N -3.11 3.29 -0.10 5.08 1.01 -0.84 -5.02 120.40 120.72 1iwa s VAL 68 Ca 0.14 1.22 0.01 0.00 0.00 0.00 0.00 61.98 63.35 1iwa s VAL 68 Cb 0.01 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1iwa s VAL 68 CO 0.01 0.26 -0.10 0.68 0.00 0.00 0.00 175.10 175.94 1iwa s VAL 69 N -0.75 1.12 -0.59 2.92 -7.23 -1.26 -4.58 120.40 110.03 1iwa s VAL 69 Ca 0.49 -0.40 0.17 0.00 -1.81 0.00 0.00 61.98 60.43 1iwa s VAL 69 Cb -0.34 -1.08 0.17 0.00 0.56 0.00 0.00 36.38 35.69 1iwa s VAL 69 CO 0.43 0.37 1.54 -2.67 -0.31 0.00 0.00 175.10 174.45 1iwa n TRP 70 N 4.45 0.50 0.31 2.82 4.27 -1.26 -2.14 117.44 126.39 1iwa n TRP 70 Ca -0.17 0.22 0.20 0.00 -3.89 0.00 0.00 57.50 53.86 1iwa n TRP 70 Cb 0.51 -0.86 0.99 0.00 -1.36 0.00 0.00 31.31 30.58 1iwa n TRP 70 CO 0.00 0.00 0.00 1.79 -2.29 0.00 0.00 177.69 177.19 1iwa h THR 71 N 0.00 0.00 -0.82 -1.67 1.35 -1.97 -0.75 112.91 109.06 1iwa h THR 71 Ca 0.00 -0.19 0.15 0.00 -0.55 0.00 0.00 66.41 65.82 1iwa h THR 71 Cb 0.18 1.15 -0.06 0.00 -1.73 0.00 0.00 68.15 67.70 1iwa h THR 71 CO 0.00 0.00 0.54 0.44 -0.25 0.00 0.00 175.52 176.25 1iwa h ASP 72 N 0.00 0.51 0.16 5.36 5.19 -1.82 0.89 116.42 126.71 1iwa h ASP 72 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1iwa h ASP 72 Cb 0.19 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.63 1iwa h ASP 72 CO 0.00 0.26 0.00 0.18 -3.12 0.00 0.00 179.24 176.56 1iwa n LEU 73 N -4.52 0.55 -0.59 1.55 7.99 -0.29 -1.52 117.00 120.18 1iwa n LEU 73 Ca 0.16 0.73 0.12 0.00 -0.01 0.00 0.00 56.01 57.01 1iwa n LEU 73 Cb 0.50 -0.76 0.41 0.00 -0.11 0.00 0.00 43.42 43.46 1iwa n LEU 73 CO 0.31 -0.85 0.80 0.18 -1.51 0.00 0.00 177.39 176.33 1iwa n LEU 74 N -2.21 1.82 -4.38 2.23 4.77 0.31 -4.92 117.00 114.62 1iwa n LEU 74 Ca -0.01 -0.68 -0.19 0.00 -0.03 0.00 0.00 56.01 55.10 1iwa n LEU 74 Cb 0.07 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 1iwa n LEU 74 CO 0.11 0.34 -0.24 0.42 -1.33 0.00 0.00 177.39 176.69 1iwa s THR 75 N -1.89 0.67 -1.48 -5.08 -4.23 -0.57 -5.03 115.64 98.03 1iwa s THR 75 Ca 0.35 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.77 1iwa s THR 75 Cb 0.20 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 71.44 1iwa s THR 75 CO 0.30 0.00 2.60 0.00 -0.54 0.00 0.00 174.62 176.98 1iwa n ALA 76 N -0.60 6.92 -0.31 3.99 0.00 -1.26 -4.75 120.51 124.49 1iwa n ALA 76 Ca -0.01 -3.83 0.13 0.00 0.00 0.00 0.00 53.44 49.74 1iwa n ALA 76 Cb 0.66 -3.15 0.31 0.00 0.00 0.00 0.00 19.45 17.27 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 5.03 1.49 -0.29 0.00 0.00 -1.96 -0.57 119.26 122.96 1iwa h ALA 77 Ca 0.75 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.88 1iwa h ALA 77 Cb 0.35 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1iwa h ALA 77 CO 1.68 -0.29 0.23 -0.44 0.00 0.00 0.00 179.25 180.43 1iwa h ASP 78 N 0.47 0.00 0.41 0.00 5.19 -1.94 0.06 116.42 120.61 1iwa h ASP 78 Ca 0.57 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.67 1iwa h ASP 78 Cb 1.04 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.51 1iwa h ASP 78 CO -0.49 0.00 -1.75 0.25 -3.12 0.00 0.00 179.24 174.12 1iwa h LEU 79 N 0.00 0.14 0.22 1.55 7.12 -1.52 -3.39 115.31 119.42 1iwa h LEU 79 Ca 0.14 -0.29 -0.32 0.00 0.13 0.00 0.00 57.88 57.54 1iwa h LEU 79 Cb 0.59 -0.04 0.03 0.00 -0.53 0.00 0.00 40.66 40.71 1iwa h LEU 79 CO -0.00 1.26 -1.42 1.88 -0.13 0.00 0.00 178.44 180.03 1iwa h TYR 80 N 0.02 0.91 -2.27 1.25 0.05 -0.87 -3.41 116.97 112.65 1iwa h TYR 80 Ca -0.31 -0.65 -0.58 0.00 0.05 0.00 0.00 58.73 57.24 1iwa h TYR 80 Cb 2.01 -0.04 0.04 0.00 1.01 0.00 0.00 36.73 39.75 1iwa h TYR 80 CO 0.02 1.51 0.98 0.54 -1.05 0.00 0.00 178.16 180.17 1iwa n ARG 81 N -3.70 2.35 -1.98 4.88 1.74 -0.06 -4.68 116.66 115.21 1iwa n ARG 81 Ca -0.15 0.86 -0.32 0.00 -0.77 0.00 0.00 57.85 57.47 1iwa n ARG 81 Cb 1.08 -2.69 0.01 0.00 -1.02 0.00 0.00 32.46 29.84 1iwa n ARG 81 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iwa s ALA 82 N 2.41 2.88 -0.05 7.54 0.00 -1.26 -4.88 121.76 128.40 1iwa s ALA 82 Ca 0.84 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1iwa s ALA 82 Cb -0.62 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.36 1iwa s ALA 82 CO 0.42 -0.74 -0.07 -1.59 0.00 0.00 0.00 175.76 173.78 1iwa s LYS 83 N -4.54 1.15 -0.17 0.00 0.00 -0.81 -4.45 119.74 110.92 1iwa s LYS 83 Ca 0.59 -0.22 -0.28 0.00 0.00 0.00 0.00 55.97 56.06 1iwa s LYS 83 Cb -0.13 -1.06 -0.00 0.00 0.00 0.00 0.00 37.83 36.64 1iwa s LYS 83 CO 0.43 -0.05 0.99 0.00 0.00 0.00 0.00 175.35 176.72 1iwa s ALA 84 N 0.85 3.56 -0.38 0.59 0.00 0.54 -1.38 121.76 125.54 1iwa s ALA 84 Ca -0.12 0.22 0.08 0.00 0.00 0.00 0.00 51.96 52.14 1iwa s ALA 84 Cb -0.15 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.44 1iwa s ALA 84 CO 0.01 -0.82 0.34 2.48 0.00 0.00 0.00 175.76 177.77 1iwa n TYR 85 N 5.66 0.00 -3.66 0.00 4.11 -0.22 -1.32 117.16 121.72 1iwa n TYR 85 Ca 0.09 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.92 1iwa n TYR 85 Cb 0.47 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.73 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 -1.69 0.46 -0.17 -3.48 2.20 -1.23 -4.11 119.74 111.71 1iwa s LYS 86 Ca 0.03 1.10 -0.00 0.00 -0.36 0.00 0.00 55.97 56.74 1iwa s LYS 86 Cb 0.06 0.33 0.04 0.00 -1.51 0.00 0.00 37.83 36.75 1iwa s LYS 86 CO 0.31 -0.20 -0.05 0.08 -0.36 0.00 0.00 175.35 175.13 1iwa s VAL 87 N 2.21 1.14 -0.03 4.02 1.01 -1.26 -0.48 120.40 127.02 1iwa s VAL 87 Ca -0.06 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1iwa s VAL 87 Cb -0.10 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1iwa s VAL 87 CO -0.15 0.12 -0.20 -1.81 0.00 0.00 0.00 175.10 173.05 1iwa s ASP 88 N 1.62 2.43 0.58 3.32 -0.00 -0.23 -4.94 116.67 119.44 1iwa s ASP 88 Ca 0.00 -0.39 -0.19 0.00 -0.00 0.00 0.00 52.55 51.98 1iwa s ASP 88 Cb -0.15 -0.44 -0.04 0.00 -0.00 0.00 0.00 42.92 42.29 1iwa s ASP 88 CO -0.08 0.22 1.20 -1.58 -0.00 0.00 0.00 175.17 174.94 1iwa s GLN 89 N -0.30 3.07 0.02 8.23 0.74 -1.26 0.11 119.66 130.27 1iwa s GLN 89 Ca 0.03 1.82 -0.30 0.00 0.05 0.00 0.00 55.36 56.96 1iwa s GLN 89 Cb -0.10 -1.98 -0.04 0.00 1.10 0.00 0.00 33.01 31.99 1iwa s GLN 89 CO 0.01 -1.13 1.10 0.08 -0.55 0.00 0.00 175.29 174.80 1iwa s VAL 90 N -1.59 4.44 0.00 1.34 1.01 -0.57 -4.70 120.40 120.33 1iwa s VAL 90 Ca 0.76 1.75 0.00 0.00 0.00 0.00 0.00 61.98 64.49 1iwa s VAL 90 Cb -0.30 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 31.96 1iwa s VAL 90 CO 0.33 0.12 0.00 -2.65 0.00 0.00 0.00 175.10 172.90 1iwa n PRO 91 N 4.05 0.00 -1.58 2.72 -0.02 -1.26 -1.21 135.00 137.70 1iwa n PRO 91 Ca 0.08 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.31 1iwa n PRO 91 Cb 0.48 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 34.04 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 -1.11 5.45 -3.33 2.55 4.13 -1.26 -4.88 115.26 116.81 1iwa n ASN 92 Ca 0.00 -3.77 -0.11 0.00 1.68 0.00 0.00 54.58 52.38 1iwa n ASN 92 Cb 0.00 -0.61 -0.07 0.00 -1.54 0.00 0.00 39.78 37.56 1iwa n ASN 92 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1iwa s ASN 93 N -2.80 0.65 0.05 6.41 3.84 -0.35 -5.02 114.94 117.72 1iwa s ASN 93 Ca 0.55 -0.42 0.15 0.00 0.21 0.00 0.00 52.86 53.35 1iwa s ASN 93 Cb 0.44 0.98 0.63 0.00 -0.55 0.00 0.00 41.25 42.75 1iwa s ASN 93 CO 0.02 -0.36 1.46 -0.81 -2.79 0.00 0.00 177.10 174.62 1iwa n PRO 94 N 5.35 0.03 0.05 0.43 -0.04 -1.26 -2.34 135.00 137.22 1iwa n PRO 94 Ca -0.00 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.89 1iwa n PRO 94 Cb 0.49 -1.57 0.27 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.64 0.21 -4.28 0.54 1.02 -1.26 -4.88 120.64 110.35 1iwa n GLU 95 Ca 0.03 0.09 -0.27 0.00 -0.02 0.00 0.00 57.16 56.98 1iwa n GLU 95 Cb 0.16 -1.66 -0.09 0.00 -0.02 0.00 0.00 31.44 29.83 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 -3.11 2.07 -0.06 3.49 -0.21 -0.99 -4.07 119.66 116.78 1iwa s GLN 96 Ca 0.09 -1.23 -0.08 0.00 0.02 0.00 0.00 55.36 54.15 1iwa s GLN 96 Cb 0.14 -2.18 0.02 0.00 1.00 0.00 0.00 33.01 31.99 1iwa s GLN 96 CO 0.68 0.44 0.21 0.71 -2.12 0.00 0.00 175.29 175.21 1iwa s TYR 97 N -1.63 -0.18 -0.26 0.91 1.51 -0.20 -1.51 117.35 116.00 1iwa s TYR 97 Ca 0.24 0.42 -0.15 0.00 -1.01 0.00 0.00 57.07 56.58 1iwa s TYR 97 Cb -0.09 0.06 -0.04 0.00 -0.11 0.00 0.00 41.96 41.78 1iwa s TYR 97 CO 0.15 -0.17 0.37 -0.06 -1.11 0.00 0.00 175.55 174.73 1iwa s PHE 98 N -0.30 3.27 -0.14 2.71 0.08 0.30 0.01 117.98 123.92 1iwa s PHE 98 Ca -0.04 0.44 -0.00 0.00 0.12 0.00 0.00 56.93 57.45 1iwa s PHE 98 Cb -0.03 -2.55 -0.01 0.00 -0.57 0.00 0.00 43.02 39.86 1iwa s PHE 98 CO 0.01 -0.18 -0.14 0.00 -0.10 0.00 0.00 175.22 174.81 1iwa s ALA 99 N 1.90 2.57 -0.22 5.36 0.00 -0.44 -1.07 121.76 129.85 1iwa s ALA 99 Ca 0.15 -0.96 -0.13 0.00 0.00 0.00 0.00 51.96 51.03 1iwa s ALA 99 Cb -0.15 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 21.69 1iwa s ALA 99 CO 0.09 0.12 0.25 0.71 0.00 0.00 0.00 175.76 176.93 1iwa s TYR 100 N 0.57 3.35 -0.03 0.00 1.51 0.37 -1.98 117.35 121.14 1iwa s TYR 100 Ca -0.08 0.38 0.05 0.00 -1.01 0.00 0.00 57.07 56.41 1iwa s TYR 100 Cb -0.16 -2.36 -0.01 0.00 -0.11 0.00 0.00 41.96 39.32 1iwa s TYR 100 CO 0.03 0.05 -0.18 0.42 -1.11 0.00 0.00 175.55 174.77 1iwa s ILE 101 N 1.10 1.45 -0.08 2.71 1.01 -0.61 -1.06 121.20 125.72 1iwa s ILE 101 Ca 0.12 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 1iwa s ILE 101 Cb -0.14 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 1iwa s ILE 101 CO 0.05 0.42 -0.06 0.00 0.00 0.00 0.00 174.94 175.35 1iwa s ALA 102 N -0.15 3.02 -0.08 9.38 0.00 -0.48 -1.57 121.76 131.89 1iwa s ALA 102 Ca 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1iwa s ALA 102 Cb -0.10 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.72 1iwa s ALA 102 CO 0.01 0.52 -0.16 0.71 0.00 0.00 0.00 175.76 176.84 1iwa s TYR 103 N -0.64 1.81 0.38 0.00 1.51 0.81 -1.93 117.35 119.29 1iwa s TYR 103 Ca 0.10 -0.69 -0.28 0.00 -1.01 0.00 0.00 57.07 55.19 1iwa s TYR 103 Cb -0.12 -1.27 -0.10 0.00 -0.11 0.00 0.00 41.96 40.36 1iwa s TYR 103 CO 0.02 -0.32 1.42 -2.00 -1.11 0.00 0.00 175.55 173.56 1iwa s GLU 104 N 0.55 4.11 0.24 -0.62 2.56 -1.26 -0.31 118.70 123.96 1iwa s GLU 104 Ca -0.16 2.42 -0.05 0.00 0.00 0.00 0.00 54.97 57.18 1iwa s GLU 104 Cb -0.16 -2.94 0.42 0.00 2.00 0.00 0.00 34.13 33.45 1iwa s GLU 104 CO 0.05 -0.47 1.73 1.25 -0.56 0.00 0.00 175.26 177.26 1iwa h LEU 105 N 2.99 0.24 -0.48 2.70 6.46 -1.93 -1.58 115.31 123.71 1iwa h LEU 105 Ca -0.50 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 1iwa h LEU 105 Cb 1.24 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.26 1iwa h LEU 105 CO 0.64 0.10 0.00 0.47 -0.62 0.00 0.00 178.44 179.03 1iwa n ASP 106 N -5.02 0.20 0.23 1.25 8.00 -1.26 -2.10 116.55 117.87 1iwa n ASP 106 Ca 0.13 0.59 0.11 0.00 0.71 0.00 0.00 54.79 56.34 1iwa n ASP 106 Cb 0.39 -0.62 0.49 0.00 -0.02 0.00 0.00 41.12 41.36 1iwa n ASP 106 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1iwa h LEU 107 N 0.00 0.00 -9.60 0.64 3.38 -1.65 -3.46 115.31 104.62 1iwa h LEU 107 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1iwa h LEU 107 Cb 0.03 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.69 1iwa h LEU 107 CO 0.00 0.17 -0.61 -0.36 0.09 0.00 0.00 178.44 177.73 1iwa s PHE 108 N -3.63 3.17 0.00 1.13 0.08 -0.89 -5.07 117.98 112.78 1iwa s PHE 108 Ca 0.01 0.08 -0.29 0.00 0.12 0.00 0.00 56.93 56.85 1iwa s PHE 108 Cb 0.10 -1.63 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 1iwa s PHE 108 CO 0.62 0.52 0.93 -2.00 -0.10 0.00 0.00 175.22 175.18 1iwa s GLU 109 N -2.26 4.55 0.34 0.44 2.12 -1.26 -4.99 118.70 117.64 1iwa s GLU 109 Ca 0.28 1.32 -0.29 0.00 0.36 0.00 0.00 54.97 56.64 1iwa s GLU 109 Cb -0.12 -3.45 -0.11 0.00 0.26 0.00 0.00 34.13 30.71 1iwa s GLU 109 CO 0.20 0.01 1.52 -1.21 -0.54 0.00 0.00 175.26 175.24 1iwa s GLU 110 N 0.83 4.12 -2.00 4.30 8.01 -1.26 -3.06 118.70 129.63 1iwa s GLU 110 Ca 0.49 2.56 0.00 0.00 0.01 0.00 0.00 54.97 58.03 1iwa s GLU 110 Cb -0.21 -2.99 0.00 0.00 -4.31 0.00 0.00 34.13 26.62 1iwa s GLU 110 CO 0.26 -0.56 0.00 0.41 0.01 0.00 0.00 175.26 175.39 1iwa n GLY 111 N 1.12 1.55 3.08 -1.39 0.00 -1.23 -4.99 105.19 103.34 1iwa n GLY 111 Ca 0.04 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.70 4.51 0.28 1.61 0.15 -1.17 -4.95 113.70 111.43 1iwa s SER 112 Ca 0.00 -1.41 0.04 0.00 0.70 0.00 0.00 55.95 55.28 1iwa s SER 112 Cb 0.00 -1.57 0.42 0.00 -1.71 0.00 0.00 66.02 63.16 1iwa s SER 112 CO 0.00 -0.20 1.71 0.40 1.20 0.00 0.00 173.24 176.35 1iwa h ILE 113 N 6.73 1.28 -0.64 6.45 1.08 -1.94 -2.42 117.51 128.05 1iwa h ILE 113 Ca -0.19 -1.35 -0.07 0.00 -0.39 0.00 0.00 64.86 62.86 1iwa h ILE 113 Cb 1.04 1.47 -0.03 0.00 -3.07 0.00 0.00 36.82 36.23 1iwa h ILE 113 CO 0.47 0.42 0.14 0.00 -0.69 0.00 0.00 178.15 178.49 1iwa h ALA 114 N 1.32 0.84 -0.20 1.87 0.00 -1.93 -0.95 119.26 120.22 1iwa h ALA 114 Ca 0.05 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1iwa h ALA 114 Cb 0.72 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1iwa h ALA 114 CO 0.06 0.57 -0.51 -0.97 0.00 0.00 0.00 179.25 178.40 1iwa h ASN 115 N 0.95 0.62 -0.04 0.00 -0.73 -1.88 0.54 115.58 115.04 1iwa h ASN 115 Ca 0.20 -0.31 -0.00 0.00 1.87 0.00 0.00 56.30 58.05 1iwa h ASN 115 Cb 0.38 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 38.80 1iwa h ASN 115 CO 0.01 1.02 0.01 0.25 -0.37 0.00 0.00 177.43 178.35 1iwa h LEU 116 N 0.44 0.05 -0.93 0.34 5.85 -1.23 -2.90 115.31 116.94 1iwa h LEU 116 Ca 0.02 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 1iwa h LEU 116 Cb 1.04 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1iwa h LEU 116 CO 0.10 0.23 -0.40 0.71 -0.34 0.00 0.00 178.44 178.73 1iwa h THR 117 N -0.12 1.31 -1.00 1.05 1.35 -1.15 -1.63 112.91 112.71 1iwa h THR 117 Ca 0.01 -1.51 0.09 0.00 -0.55 0.00 0.00 66.41 64.46 1iwa h THR 117 Cb 0.19 1.66 -0.08 0.00 -1.73 0.00 0.00 68.15 68.19 1iwa h THR 117 CO -0.00 0.45 0.64 0.00 -0.25 0.00 0.00 175.52 176.36 1iwa h ALA 118 N 1.35 1.44 0.02 6.62 0.00 -0.72 0.18 119.26 128.15 1iwa h ALA 118 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1iwa h ALA 118 Cb 0.81 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1iwa h ALA 118 CO 0.06 0.33 -0.01 0.77 0.00 0.00 0.00 179.25 180.41 1iwa h SER 119 N 1.08 -0.02 -0.67 0.00 0.02 -1.31 -2.25 113.55 110.40 1iwa h SER 119 Ca 0.46 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.46 1iwa h SER 119 Cb 0.32 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.81 1iwa h SER 119 CO -0.22 0.49 0.37 0.40 -1.14 0.00 0.00 176.83 176.72 1iwa h ILE 120 N -1.01 0.95 -0.01 3.27 1.08 -1.27 -3.21 117.51 117.32 1iwa h ILE 120 Ca -0.00 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1iwa h ILE 120 Cb 0.04 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.01 1iwa h ILE 120 CO 0.00 0.12 0.00 2.30 -0.69 0.00 0.00 178.15 179.89 1iwa n ILE 121 N -4.80 1.50 0.09 -0.67 -5.35 0.03 -4.83 119.36 105.33 1iwa n ILE 121 Ca 0.09 -1.70 -0.07 0.00 -0.27 0.00 0.00 62.75 60.79 1iwa n ILE 121 Cb 0.19 0.09 -0.04 0.00 -1.74 0.00 0.00 39.64 38.14 1iwa n ILE 121 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1iwa h GLY 122 N 0.04 -1.03 0.00 3.28 0.00 -1.13 -3.43 103.07 100.81 1iwa h GLY 122 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1iwa h GLY 122 CO 0.00 -0.34 -0.86 0.70 0.00 0.00 0.00 176.54 176.05 1iwa n ASN 123 N -3.60 4.20 -0.34 0.19 3.02 -1.26 -4.83 115.26 112.65 1iwa n ASN 123 Ca -0.04 0.00 0.35 0.00 -0.03 0.00 0.00 54.58 54.86 1iwa n ASN 123 Cb 0.18 0.39 0.62 0.00 -0.61 0.00 0.00 39.78 40.35 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 0.08 0.00 2.41 -1.51 -1.85 0.18 116.25 115.56 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 0.86 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 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 -3.59 0.00 -0.44 5.19 3.01 -1.26 -3.20 117.46 117.18 1iwa n PHE 125 Ca 0.28 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.79 1iwa n PHE 125 Cb 1.55 -0.27 0.08 0.00 -0.01 0.00 0.00 39.48 40.84 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 1.15 3.66 3.67 1.37 0.00 0.62 -4.91 105.19 110.75 1iwa n GLY 126 Ca 0.14 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1iwa n GLY 126 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iwa s PHE 127 N -1.74 2.54 0.22 1.61 5.36 -1.19 -4.91 117.98 119.87 1iwa s PHE 127 Ca 0.16 0.65 -0.08 0.00 -0.96 0.00 0.00 56.93 56.70 1iwa s PHE 127 Cb 0.13 -3.71 0.35 0.00 -0.34 0.00 0.00 43.02 39.45 1iwa s PHE 127 CO 0.03 -2.73 1.71 0.87 -1.46 0.00 0.00 175.22 173.64 1iwa h LYS 128 N 8.54 0.31 -0.60 10.12 1.57 -1.95 -1.51 116.57 133.05 1iwa h LYS 128 Ca -0.35 -0.02 0.15 0.00 -1.87 0.00 0.00 60.65 58.56 1iwa h LYS 128 Cb 1.16 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 1iwa h LYS 128 CO 0.94 0.20 0.42 0.00 -0.57 0.00 0.00 179.45 180.44 1iwa h ALA 129 N 1.50 2.37 -2.40 3.86 0.00 -1.99 -3.37 119.26 119.24 1iwa h ALA 129 Ca 0.35 -0.01 -0.73 0.00 0.00 0.00 0.00 54.91 54.51 1iwa h ALA 129 Cb 0.52 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.09 1iwa h ALA 129 CO -0.41 -0.53 -0.36 0.08 0.00 0.00 0.00 179.25 178.03 1iwa s VAL 130 N -5.15 5.08 0.15 0.00 1.01 -0.57 -0.90 120.40 120.03 1iwa s VAL 130 Ca -0.06 -1.07 -0.20 0.00 0.00 0.00 0.00 61.98 60.65 1iwa s VAL 130 Cb 0.20 -4.02 0.05 0.00 0.00 0.00 0.00 36.38 32.61 1iwa s VAL 130 CO 0.74 -0.54 1.66 0.50 0.00 0.00 0.00 175.10 177.46 1iwa h LYS 131 N 8.69 -0.11 -4.00 2.72 3.64 -0.83 -3.43 116.57 123.24 1iwa h LYS 131 Ca -0.27 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 58.98 1iwa h LYS 131 Cb 1.11 0.03 -0.17 0.00 -0.41 0.00 0.00 32.23 32.78 1iwa h LYS 131 CO 0.85 -0.08 -0.61 0.00 -2.27 0.00 0.00 179.45 177.34 1iwa s ALA 132 N -6.16 0.18 -0.28 5.00 0.00 -0.46 -5.02 121.76 115.02 1iwa s ALA 132 Ca -0.14 -0.81 -0.21 0.00 0.00 0.00 0.00 51.96 50.81 1iwa s ALA 132 Cb 0.13 0.25 0.08 0.00 0.00 0.00 0.00 23.12 23.57 1iwa s ALA 132 CO 0.69 -0.31 0.71 -1.17 0.00 0.00 0.00 175.76 175.68 1iwa s LEU 133 N -2.31 -0.85 -0.03 0.00 2.96 -1.19 -0.89 118.68 116.37 1iwa s LEU 133 Ca -0.02 1.48 -0.01 0.00 -0.22 0.00 0.00 54.13 55.36 1iwa s LEU 133 Cb 0.01 2.42 0.03 0.00 0.50 0.00 0.00 46.19 49.15 1iwa s LEU 133 CO -0.06 -0.24 0.05 -0.60 -1.32 0.00 0.00 176.35 174.17 1iwa s ARG 134 N 1.01 -0.03 -0.49 1.98 3.52 -0.73 -1.50 118.95 122.71 1iwa s ARG 134 Ca -0.05 0.24 -0.27 0.00 -0.13 0.00 0.00 55.73 55.51 1iwa s ARG 134 Cb -0.05 -0.27 0.03 0.00 -1.56 0.00 0.00 34.95 33.10 1iwa s ARG 134 CO -0.09 -0.19 1.05 -1.17 -0.81 0.00 0.00 175.30 174.09 1iwa s LEU 135 N 1.22 3.79 -0.06 -0.88 2.96 -0.32 -0.00 118.68 125.39 1iwa s LEU 135 Ca -0.07 0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 53.97 1iwa s LEU 135 Cb -0.13 -3.33 -0.30 0.00 0.50 0.00 0.00 46.19 42.93 1iwa s LEU 135 CO -0.03 -1.20 0.64 -0.33 -1.32 0.00 0.00 176.35 174.10 1iwa h GLU 136 N 9.21 0.37 -3.19 1.98 4.39 -1.32 -1.23 114.58 124.80 1iwa h GLU 136 Ca -0.24 -0.64 0.01 0.00 0.34 0.00 0.00 59.36 58.83 1iwa h GLU 136 Cb 1.07 0.24 -0.08 0.00 -0.10 0.00 0.00 28.75 29.87 1iwa h GLU 136 CO 1.09 1.31 0.11 0.34 -1.16 0.00 0.00 179.01 180.70 1iwa s ASP 137 N -7.26 -0.28 -0.03 1.42 2.15 -1.17 -4.53 116.67 106.98 1iwa s ASP 137 Ca -0.17 -0.53 -0.06 0.00 0.43 0.00 0.00 52.55 52.22 1iwa s ASP 137 Cb 0.05 0.64 0.01 0.00 -0.30 0.00 0.00 42.92 43.32 1iwa s ASP 137 CO 0.84 -1.17 0.14 -0.04 -0.17 0.00 0.00 175.17 174.76 1iwa s MET 138 N -3.90 0.32 -0.36 4.34 -1.94 -1.26 -1.05 119.30 115.46 1iwa s MET 138 Ca 0.11 -0.10 -0.04 0.00 -1.71 0.00 0.00 55.69 53.95 1iwa s MET 138 Cb -0.03 0.14 0.07 0.00 2.01 0.00 0.00 34.83 37.02 1iwa s MET 138 CO 0.01 -0.06 0.12 0.50 -0.01 0.00 0.00 175.02 175.58 1iwa s ARG 139 N -0.63 2.32 -0.26 2.03 3.00 0.26 -4.91 118.95 120.76 1iwa s ARG 139 Ca -0.07 -1.48 -0.19 0.00 -1.00 0.00 0.00 55.73 52.99 1iwa s ARG 139 Cb -0.04 -3.44 -0.02 0.00 0.00 0.00 0.00 34.95 31.44 1iwa s ARG 139 CO 0.01 -0.83 0.57 -0.51 0.00 0.00 0.00 175.30 174.54 1iwa s LEU 140 N 1.26 4.06 0.59 -0.88 1.43 -1.26 -0.94 118.68 122.93 1iwa s LEU 140 Ca 0.01 0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 53.53 1iwa s LEU 140 Cb -0.21 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 1iwa s LEU 140 CO -0.01 -0.33 1.25 -0.81 0.23 0.00 0.00 176.35 176.67 1iwa n PRO 141 N 5.63 1.32 -0.22 1.29 -0.04 -1.25 -4.79 135.00 136.94 1iwa n PRO 141 Ca -0.02 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1iwa n PRO 141 Cb 0.49 -2.46 0.12 0.00 -0.04 0.00 0.00 33.50 31.61 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 0.93 0.35 -1.77 1.53 5.85 -1.86 -0.60 115.31 119.74 1iwa h LEU 142 Ca -0.50 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1iwa h LEU 142 Cb 1.33 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1iwa h LEU 142 CO 0.54 0.20 0.00 0.00 -0.34 0.00 0.00 178.44 178.85 1iwa h ALA 143 N 1.42 1.00 0.16 1.25 0.00 -1.91 -2.02 119.26 119.15 1iwa h ALA 143 Ca 0.32 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.87 1iwa h ALA 143 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1iwa h ALA 143 CO -0.28 0.00 -1.89 -0.92 0.00 0.00 0.00 179.25 176.17 1iwa h TYR 144 N 0.00 0.60 -0.55 0.00 3.20 -1.56 -3.36 116.97 115.29 1iwa h TYR 144 Ca 0.00 -0.44 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1iwa h TYR 144 Cb 0.34 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 1iwa h TYR 144 CO 0.00 1.74 0.35 -0.07 -1.64 0.00 0.00 178.16 178.54 1iwa h LEU 145 N 0.09 0.64 -0.91 2.82 4.07 -0.74 -1.66 115.31 119.62 1iwa h LEU 145 Ca -0.39 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.55 1iwa h LEU 145 Cb 2.07 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 43.65 1iwa h LEU 145 CO 0.13 0.48 0.00 0.29 -1.08 0.00 0.00 178.44 178.26 1iwa n LYS 146 N -4.44 0.15 -0.11 1.13 4.76 -0.80 -1.26 118.16 117.60 1iwa n LYS 146 Ca 0.05 0.50 0.10 0.00 -2.87 0.00 0.00 58.31 56.09 1iwa n LYS 146 Cb 0.06 -1.87 0.32 0.00 -1.84 0.00 0.00 35.03 31.70 1iwa n LYS 146 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1iwa n THR 147 N -2.16 0.29 -4.23 -0.18 -2.24 -0.62 -4.86 114.28 100.28 1iwa n THR 147 Ca 0.01 -0.42 -0.27 0.00 -2.27 0.00 0.00 64.05 61.09 1iwa n THR 147 Cb 0.14 0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.71 2.77 0.03 4.78 0.40 -0.39 -3.49 117.98 120.37 1iwa s PHE 148 Ca 0.32 -0.16 -0.18 0.00 -0.60 0.00 0.00 56.93 56.31 1iwa s PHE 148 Cb 0.17 -1.37 -0.24 0.00 0.51 0.00 0.00 43.02 42.09 1iwa s PHE 148 CO 0.25 0.50 1.12 0.37 0.70 0.00 0.00 175.22 178.16 1iwa h GLN 149 N 2.99 0.51 0.00 0.44 4.15 -1.85 -3.50 115.11 117.85 1iwa h GLN 149 Ca -0.47 -0.56 0.00 0.00 0.77 0.00 0.00 58.65 58.39 1iwa h GLN 149 Cb 1.19 0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.05 1iwa h GLN 149 CO 0.56 1.19 0.00 0.41 -1.93 0.00 0.00 178.83 179.06 1iwa n GLY 150 N 1.11 -1.53 3.18 2.39 0.00 -0.80 -4.71 105.19 104.83 1iwa n GLY 150 Ca -0.11 -1.53 -0.55 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.61 0.00 -0.30 1.61 -0.02 -1.18 -3.85 135.00 129.64 1iwa n PRO 151 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.44 1iwa n PRO 151 Cb 0.00 -1.34 0.08 0.00 -0.02 0.00 0.00 33.50 32.21 1iwa n PRO 151 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iwa h ALA 152 N 3.06 1.05 0.00 3.55 0.00 -1.51 -3.38 119.26 122.03 1iwa h ALA 152 Ca -0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1iwa h ALA 152 Cb 1.27 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1iwa h ALA 152 CO 0.64 0.46 -0.44 2.41 0.00 0.00 0.00 179.25 182.32 1iwa n THR 153 N -4.51 1.02 0.00 0.00 -1.04 -1.26 -4.64 114.28 103.86 1iwa n THR 153 Ca 0.09 0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.36 1iwa n THR 153 Cb 0.01 -1.85 0.00 0.00 -1.82 0.00 0.00 70.33 66.68 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 2.28 0.10 0.27 3.41 0.00 -1.26 -4.32 105.19 105.67 1iwa n GLY 154 Ca -0.06 -1.51 0.04 0.00 0.00 0.00 0.00 46.02 44.49 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 0.38 0.95 1.61 2.07 -1.62 0.54 116.25 120.17 1iwa h VAL 155 Ca 0.00 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 1iwa h VAL 155 Cb 0.00 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1iwa h VAL 155 CO 0.00 0.02 -0.46 0.40 0.02 0.00 0.00 177.57 177.55 1iwa h ILE 156 N 0.11 0.06 -0.35 4.57 1.08 -1.87 -2.09 117.51 119.02 1iwa h ILE 156 Ca 0.40 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.84 1iwa h ILE 156 Cb 0.69 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 1iwa h ILE 156 CO -0.63 0.00 0.14 0.25 -0.69 0.00 0.00 178.15 177.22 1iwa h LEU 157 N -1.29 0.44 -0.71 1.44 5.85 -1.70 -2.26 115.31 117.08 1iwa h LEU 157 Ca -0.13 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1iwa h LEU 157 Cb 0.98 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1iwa h LEU 157 CO 0.21 0.41 0.36 -0.08 -0.34 0.00 0.00 178.44 179.00 1iwa h GLU 158 N 0.49 1.01 -0.02 1.25 4.81 -0.75 -1.15 114.58 120.22 1iwa h GLU 158 Ca 0.12 -0.14 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1iwa h GLU 158 Cb 0.11 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1iwa h GLU 158 CO -0.01 0.78 -0.58 0.00 -0.73 0.00 0.00 179.01 178.47 1iwa h ARG 159 N 0.99 0.06 0.00 1.92 3.08 -0.96 -1.71 114.38 117.76 1iwa h ARG 159 Ca 0.25 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 1iwa h ARG 159 Cb 0.09 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1iwa h ARG 159 CO -0.03 0.62 -0.24 0.93 -1.07 0.00 0.00 179.97 180.18 1iwa h GLU 160 N 0.05 0.00 0.00 0.04 5.08 -0.94 0.37 114.58 119.18 1iwa h GLU 160 Ca -0.01 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1iwa h GLU 160 Cb 1.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1iwa h GLU 160 CO 0.08 0.24 -1.15 0.00 -1.00 0.00 0.00 179.01 177.17 1iwa h ARG 161 N 0.00 0.00 0.00 2.33 3.08 -0.81 -3.30 114.38 115.69 1iwa h ARG 161 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1iwa h ARG 161 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1iwa h ARG 161 CO 0.03 0.90 -1.08 1.28 -1.07 0.00 0.00 179.97 180.03 1iwa n LEU 162 N -3.29 0.78 -3.07 3.04 4.77 -0.68 -4.96 117.00 113.58 1iwa n LEU 162 Ca -0.04 0.30 -0.19 0.00 -0.03 0.00 0.00 56.01 56.05 1iwa n LEU 162 Cb 0.96 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 42.07 1iwa n LEU 162 CO 0.47 -0.17 0.19 -0.67 -1.33 0.00 0.00 177.39 175.88 1iwa n ASP 163 N -2.63 -5.03 -3.88 -1.43 4.64 0.13 -4.47 116.55 103.87 1iwa n ASP 163 Ca -0.00 -0.46 -0.27 0.00 -1.38 0.00 0.00 54.79 52.68 1iwa n ASP 163 Cb 0.55 -4.29 -0.17 0.00 -1.04 0.00 0.00 41.12 36.17 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 -5.93 1.37 0.28 -0.67 1.02 -1.06 -5.05 119.74 109.70 1iwa s LYS 164 Ca 0.41 -0.25 0.02 0.00 0.02 0.00 0.00 55.97 56.16 1iwa s LYS 164 Cb -0.18 -1.59 -0.05 0.00 -0.52 0.00 0.00 37.83 35.49 1iwa s LYS 164 CO 0.61 -0.31 0.09 -0.06 -0.92 0.00 0.00 175.35 174.76 1iwa s PHE 165 N 1.74 1.63 -1.45 3.18 0.40 -1.26 -4.73 117.98 117.48 1iwa s PHE 165 Ca 0.04 -1.15 0.00 0.00 -0.60 0.00 0.00 56.93 55.22 1iwa s PHE 165 Cb -0.13 -0.98 0.00 0.00 0.51 0.00 0.00 43.02 42.42 1iwa s PHE 165 CO -0.08 -0.28 0.00 0.41 0.70 0.00 0.00 175.22 175.97 1iwa n GLY 166 N -0.52 1.30 3.48 4.36 0.00 -1.26 -4.93 105.19 107.62 1iwa n GLY 166 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.09 0.97 0.90 1.61 1.70 -1.26 -5.05 118.95 114.72 1iwa s ARG 167 Ca 0.00 0.27 -0.10 0.00 -0.47 0.00 0.00 55.73 55.43 1iwa s ARG 167 Cb 0.00 0.46 0.14 0.00 -0.57 0.00 0.00 34.95 34.97 1iwa s ARG 167 CO 0.00 -0.28 1.15 -2.14 -1.08 0.00 0.00 175.30 172.95 1iwa s PRO 168 N -1.03 1.13 0.26 3.89 0.02 -1.06 -4.87 135.00 133.33 1iwa s PRO 168 Ca -0.10 1.57 -0.04 0.00 0.02 0.00 0.00 61.00 62.46 1iwa s PRO 168 Cb -0.01 -1.74 -0.05 0.00 0.02 0.00 0.00 34.50 32.72 1iwa s PRO 168 CO 0.08 -2.56 0.51 -0.51 -0.33 0.00 0.00 177.00 174.19 1iwa s LEU 169 N -6.47 4.11 -0.09 -5.54 1.43 -0.44 -4.93 118.68 106.75 1iwa s LEU 169 Ca 0.68 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 54.42 1iwa s LEU 169 Cb -0.23 -3.43 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 1iwa s LEU 169 CO 0.57 -0.15 -0.12 -0.76 0.23 0.00 0.00 176.35 176.12 1iwa s LEU 170 N -3.47 2.82 0.33 1.79 1.43 -1.26 0.07 118.68 120.40 1iwa s LEU 170 Ca 0.42 -0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 1iwa s LEU 170 Cb -0.11 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 1iwa s LEU 170 CO 0.29 0.27 0.21 -0.83 0.23 0.00 0.00 176.35 176.53 1iwa s GLY 171 N -0.28 2.26 -0.29 -3.19 0.00 0.15 -1.00 107.32 104.97 1iwa s GLY 171 Ca 0.02 -1.80 -0.17 0.00 0.00 0.00 0.00 44.72 42.77 1iwa s GLY 171 CO 0.03 -1.56 0.92 0.00 0.00 0.00 0.00 173.10 172.49 1iwa s THR 173 N 1.33 5.07 0.30 0.00 2.01 -1.26 -1.68 115.64 121.41 1iwa s THR 173 Ca -0.08 1.35 -0.29 0.00 0.31 0.00 0.00 61.69 62.97 1iwa s THR 173 Cb -0.04 -4.00 -0.13 0.00 0.01 0.00 0.00 72.50 68.34 1iwa s THR 173 CO -0.15 0.26 1.29 0.41 -0.69 0.00 0.00 174.62 175.74 1iwa n THR 174 N 3.80 1.61 -4.00 -0.82 -1.04 -0.87 -4.66 114.28 108.31 1iwa n THR 174 Ca -0.02 -0.40 -0.12 0.00 -2.04 0.00 0.00 64.05 61.47 1iwa n THR 174 Cb 0.51 -1.46 -0.12 0.00 -1.82 0.00 0.00 70.33 67.44 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 -1.30 0.30 1.00 -2.82 -0.14 -1.26 -4.13 119.74 111.39 1iwa s LYS 175 Ca 0.61 -0.41 -0.12 0.00 -1.36 0.00 0.00 55.97 54.68 1iwa s LYS 175 Cb -0.62 -0.09 0.15 0.00 -1.68 0.00 0.00 37.83 35.60 1iwa s LYS 175 CO 0.57 0.01 0.86 -0.35 -0.76 0.00 0.00 175.35 175.69 1iwa n PRO 176 N 2.17 -0.99 0.01 -1.68 -0.04 -1.26 -5.07 135.00 128.14 1iwa n PRO 176 Ca -0.19 -0.24 -0.09 0.00 -0.04 0.00 0.00 63.50 62.94 1iwa n PRO 176 Cb 0.57 -2.16 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 1iwa n PRO 176 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1iwa h LYS 177 N -2.03 -0.21 -5.37 0.54 1.57 -1.96 -3.45 116.57 105.66 1iwa h LYS 177 Ca -0.48 0.01 -0.62 0.00 -1.87 0.00 0.00 60.65 57.69 1iwa h LYS 177 Cb 1.29 0.05 -0.13 0.00 0.08 0.00 0.00 32.23 33.52 1iwa h LYS 177 CO 0.41 -0.14 -0.56 -0.51 -0.57 0.00 0.00 179.45 178.08 1iwa s LEU 178 N -10.41 2.48 0.00 2.94 1.43 -1.26 -4.68 118.68 109.17 1iwa s LEU 178 Ca -0.14 -1.51 0.00 0.00 -1.03 0.00 0.00 54.13 51.45 1iwa s LEU 178 Cb 0.10 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.64 1iwa s LEU 178 CO 0.67 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 177.19 1iwa n GLY 179 N -1.03 3.05 3.76 -3.19 0.00 -1.26 -5.06 105.19 101.44 1iwa n GLY 179 Ca -0.10 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 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 3.61 0.50 0.99 1.43 -1.26 -4.93 118.68 119.02 1iwa s LEU 180 Ca 0.00 2.29 -0.01 0.00 -1.03 0.00 0.00 54.13 55.37 1iwa s LEU 180 Cb 0.00 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.64 1iwa s LEU 180 CO 0.00 -1.59 0.75 -0.94 0.23 0.00 0.00 176.35 174.80 1iwa s SER 181 N -1.81 5.69 0.24 2.29 1.04 -1.26 -4.66 113.70 115.23 1iwa s SER 181 Ca 0.75 0.38 -0.05 0.00 0.48 0.00 0.00 55.95 57.50 1iwa s SER 181 Cb -0.27 -1.51 0.32 0.00 0.10 0.00 0.00 66.02 64.66 1iwa s SER 181 CO 0.34 -0.86 1.87 1.23 0.98 0.00 0.00 173.24 176.80 1iwa h GLY 182 N 0.19 1.33 0.96 7.32 0.00 -1.88 0.23 103.07 111.22 1iwa h GLY 182 Ca -0.45 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.44 1iwa h GLY 182 CO 0.58 0.32 -0.15 1.70 0.00 0.00 0.00 176.54 178.99 1iwa h LYS 183 N 1.06 -0.40 0.00 4.80 1.63 -1.94 -2.23 116.57 119.48 1iwa h LYS 183 Ca 0.38 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.20 1iwa h LYS 183 Cb 0.11 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1iwa h LYS 183 CO -0.15 -0.24 0.00 -0.91 -3.45 0.00 0.00 179.45 174.70 1iwa h ASN 184 N -0.46 0.00 -0.16 4.20 2.35 -1.89 -2.90 115.58 116.72 1iwa h ASN 184 Ca -0.04 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.58 1iwa h ASN 184 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1iwa h ASN 184 CO 0.07 0.00 -0.41 0.22 -1.65 0.00 0.00 177.43 175.66 1iwa h TYR 185 N 0.00 0.72 0.00 1.19 3.20 -0.11 -3.07 116.97 118.91 1iwa h TYR 185 Ca 0.00 -0.28 -0.04 0.00 3.14 0.00 0.00 58.73 61.55 1iwa h TYR 185 Cb 0.48 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1iwa h TYR 185 CO 0.00 1.03 -0.20 0.78 -1.64 0.00 0.00 178.16 178.13 1iwa h GLY 186 N 0.20 0.00 0.98 1.82 0.00 -1.21 -2.24 103.07 102.62 1iwa h GLY 186 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1iwa h GLY 186 CO 0.09 0.00 -0.06 -0.09 0.00 0.00 0.00 176.54 176.48 1iwa h ARG 187 N 0.00 -0.15 -0.46 4.80 1.12 -1.48 -0.66 114.38 117.55 1iwa h ARG 187 Ca -0.00 0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.88 1iwa h ARG 187 Cb 0.40 0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.37 1iwa h ARG 187 CO 0.03 -0.08 0.28 0.28 -3.11 0.00 0.00 179.97 177.37 1iwa h VAL 188 N -0.18 1.14 -0.45 0.20 2.07 -1.43 -1.68 116.25 115.91 1iwa h VAL 188 Ca -0.02 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.25 1iwa h VAL 188 Cb 0.14 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 1iwa h VAL 188 CO 0.03 0.14 0.17 0.58 0.02 0.00 0.00 177.57 178.51 1iwa h VAL 189 N 0.62 0.87 0.30 2.57 2.07 -1.14 -1.72 116.25 119.83 1iwa h VAL 189 Ca 0.17 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1iwa h VAL 189 Cb -0.02 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1iwa h VAL 189 CO -0.03 0.06 -0.15 0.22 0.02 0.00 0.00 177.57 177.70 1iwa h TYR 190 N 0.35 -0.38 -0.47 1.57 3.20 -0.88 -1.35 116.97 119.02 1iwa h TYR 190 Ca 0.21 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.15 1iwa h TYR 190 Cb 0.19 0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.52 1iwa h TYR 190 CO -0.15 -0.08 0.05 0.93 -1.64 0.00 0.00 178.16 177.27 1iwa h GLU 191 N -0.65 0.17 -0.44 1.82 4.39 -1.21 0.26 114.58 118.91 1iwa h GLU 191 Ca -0.04 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.53 1iwa h GLU 191 Cb 0.46 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1iwa h GLU 191 CO 0.07 0.11 -0.19 0.00 -1.16 0.00 0.00 179.01 177.84 1iwa h ALA 192 N 1.38 0.62 -0.38 3.43 0.00 -1.33 -1.88 119.26 121.10 1iwa h ALA 192 Ca 0.23 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1iwa h ALA 192 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1iwa h ALA 192 CO -0.34 0.58 0.03 -0.07 0.00 0.00 0.00 179.25 179.45 1iwa h LEU 193 N 0.74 0.64 -1.37 0.00 3.38 -0.90 -2.60 115.31 115.21 1iwa h LEU 193 Ca 0.10 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1iwa h LEU 193 Cb 0.76 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1iwa h LEU 193 CO 0.06 0.77 -0.27 0.50 0.09 0.00 0.00 178.44 179.58 1iwa h LYS 194 N 0.48 0.00 0.00 1.13 3.64 -0.95 -3.08 116.57 117.80 1iwa h LYS 194 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1iwa h LYS 194 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1iwa h LYS 194 CO 0.01 0.27 0.00 0.41 -2.27 0.00 0.00 179.45 177.88 1iwa n GLY 195 N -0.27 -1.52 0.00 5.01 0.00 -0.71 -4.90 105.19 102.80 1iwa n GLY 195 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1iwa n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iwa n GLY 196 N 1.16 1.17 3.74 -0.02 0.00 -1.16 -1.65 105.19 108.44 1iwa n GLY 196 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 3.56 -0.11 0.99 1.43 -1.00 -4.82 118.68 118.73 1iwa s LEU 197 Ca 0.00 2.41 0.14 0.00 -1.03 0.00 0.00 54.13 55.65 1iwa s LEU 197 Cb 0.00 -4.60 -0.24 0.00 0.03 0.00 0.00 46.19 41.38 1iwa s LEU 197 CO 0.00 -1.82 0.40 0.47 0.23 0.00 0.00 176.35 175.63 1iwa n ASP 198 N -1.94 0.58 -4.15 2.29 8.00 -0.17 -4.59 116.55 116.57 1iwa n ASP 198 Ca 0.14 0.24 -0.10 0.00 0.71 0.00 0.00 54.79 55.78 1iwa n ASP 198 Cb 0.50 0.33 -0.10 0.00 -0.02 0.00 0.00 41.12 41.82 1iwa n ASP 198 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1iwa s PHE 199 N -2.55 0.81 0.04 1.24 0.08 -0.37 -3.08 117.98 114.15 1iwa s PHE 199 Ca -0.08 -1.03 -0.00 0.00 0.12 0.00 0.00 56.93 55.94 1iwa s PHE 199 Cb 0.07 -0.49 -0.03 0.00 -0.57 0.00 0.00 43.02 42.00 1iwa s PHE 199 CO 0.82 -0.29 -0.03 0.08 -0.10 0.00 0.00 175.22 175.70 1iwa s VAL 200 N -3.79 0.17 -0.04 -0.44 1.01 -1.11 -3.09 120.40 113.12 1iwa s VAL 200 Ca 0.14 -1.37 -0.14 0.00 0.00 0.00 0.00 61.98 60.61 1iwa s VAL 200 Cb 0.07 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.57 1iwa s VAL 200 CO -0.04 -0.75 0.32 -1.59 0.00 0.00 0.00 175.10 173.03 1iwa s LYS 201 N -2.71 0.62 0.81 2.72 -2.85 -0.68 -0.40 119.74 117.25 1iwa s LYS 201 Ca -0.04 -0.07 -0.10 0.00 -1.00 0.00 0.00 55.97 54.76 1iwa s LYS 201 Cb -0.01 0.28 0.08 0.00 -2.06 0.00 0.00 37.83 36.12 1iwa s LYS 201 CO -0.06 -0.16 1.10 -0.51 0.10 0.00 0.00 175.35 175.83 1iwa s ASP 202 N -1.05 4.07 0.73 0.03 1.01 -0.89 -2.04 116.67 118.52 1iwa s ASP 202 Ca -0.11 1.89 -0.09 0.00 0.71 0.00 0.00 52.55 54.94 1iwa s ASP 202 Cb -0.05 -2.51 0.05 0.00 1.01 0.00 0.00 42.92 41.42 1iwa s ASP 202 CO 0.04 -2.32 1.07 -0.62 0.21 0.00 0.00 175.17 173.55 1iwa s ASP 203 N -3.23 4.95 0.39 0.27 3.68 -1.26 -4.80 116.67 116.68 1iwa s ASP 203 Ca 0.63 0.76 0.11 0.00 2.13 0.00 0.00 52.55 56.17 1iwa s ASP 203 Cb -0.18 -1.43 0.91 0.00 -1.45 0.00 0.00 42.92 40.76 1iwa s ASP 203 CO 0.57 -1.58 1.92 1.05 0.13 0.00 0.00 175.17 177.26 1iwa h GLU 204 N -0.71 0.56 -0.52 4.34 9.09 -1.94 -2.19 114.58 123.20 1iwa h GLU 204 Ca -0.45 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 58.92 1iwa h GLU 204 Cb 1.30 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 1iwa h GLU 204 CO 0.63 0.37 0.00 0.27 0.05 0.00 0.00 179.01 180.33 1iwa n ASN 205 N -4.50 3.03 -4.45 3.06 6.94 -1.26 -4.75 115.26 113.33 1iwa n ASN 205 Ca 0.14 -1.98 -0.43 0.00 -0.02 0.00 0.00 54.58 52.28 1iwa n ASN 205 Cb 0.41 -0.35 -0.05 0.00 -2.36 0.00 0.00 39.78 37.44 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 -1.31 4.59 0.00 1.53 -1.09 -0.83 -4.81 121.20 119.29 1iwa s ILE 206 Ca 0.38 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 1iwa s ILE 206 Cb 0.20 -4.50 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 1iwa s ILE 206 CO 0.27 -1.13 0.00 0.59 -1.23 0.00 0.00 174.94 173.44 1iwa n ASN 207 N 6.96 0.00 -3.65 3.58 5.03 -1.26 -4.69 115.26 121.22 1iwa n ASN 207 Ca -0.04 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.38 1iwa n ASN 207 Cb 0.45 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.16 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 -1.00 0.25 6.41 0.15 -1.26 -4.11 113.70 115.14 1iwa s SER 208 Ca 0.00 1.48 -0.02 0.00 0.70 0.00 0.00 55.95 58.11 1iwa s SER 208 Cb 0.00 2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 66.41 1iwa s SER 208 CO 0.00 -0.22 0.27 -1.10 1.20 0.00 0.00 173.24 173.38 1iwa s GLN 209 N 2.82 1.44 0.51 5.44 1.11 -0.39 -4.93 119.66 125.67 1iwa s GLN 209 Ca -0.05 -1.62 0.28 0.00 0.01 0.00 0.00 55.36 53.97 1iwa s GLN 209 Cb -0.12 0.34 1.40 0.00 -1.01 0.00 0.00 33.01 33.62 1iwa s GLN 209 CO -0.18 -0.53 1.89 -1.35 0.01 0.00 0.00 175.29 175.13 1iwa h PRO 210 N 2.41 0.08 0.00 2.91 0.11 -2.02 -0.03 132.00 135.46 1iwa h PRO 210 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1iwa h PRO 210 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1iwa h PRO 210 CO 0.45 0.05 -0.37 1.97 -0.21 0.00 0.00 178.00 179.89 1iwa n PHE 211 N -4.33 0.24 -3.24 0.65 1.16 -1.26 -4.81 117.46 105.87 1iwa n PHE 211 Ca 0.18 0.07 0.04 0.00 -1.87 0.00 0.00 57.45 55.87 1iwa n PHE 211 Cb 0.88 -0.48 -0.03 0.00 -1.61 0.00 0.00 39.48 38.23 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 -3.05 0.20 0.44 3.97 0.00 -0.03 -4.53 119.30 116.30 1iwa s MET 212 Ca 0.10 0.43 -0.13 0.00 0.00 0.00 0.00 55.69 56.09 1iwa s MET 212 Cb 0.16 0.25 -0.07 0.00 0.00 0.00 0.00 34.83 35.17 1iwa s MET 212 CO 0.66 -0.14 0.85 1.03 0.00 0.00 0.00 175.02 177.41 1iwa s ARG 213 N 2.64 3.86 0.27 4.11 1.81 -1.20 -1.26 118.95 129.18 1iwa s ARG 213 Ca -0.01 0.67 -0.05 0.00 -1.72 0.00 0.00 55.73 54.63 1iwa s ARG 213 Cb -0.07 -2.29 0.32 0.00 -0.45 0.00 0.00 34.95 32.45 1iwa s ARG 213 CO -0.14 -0.11 1.94 0.11 -0.68 0.00 0.00 175.30 176.42 1iwa h TRP 214 N 1.20 1.20 -0.88 -0.53 5.08 -1.91 -3.19 115.95 116.92 1iwa h TRP 214 Ca -0.47 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 59.51 1iwa h TRP 214 Cb 1.19 -0.40 -0.04 0.00 -3.00 0.00 0.00 29.16 26.90 1iwa h TRP 214 CO 0.62 0.76 0.47 0.00 -1.28 0.00 0.00 178.44 179.00 1iwa h ARG 215 N 1.29 1.23 -0.66 0.12 3.08 -1.94 -1.52 114.38 115.97 1iwa h ARG 215 Ca 0.35 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 60.28 1iwa h ARG 215 Cb -0.14 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.63 1iwa h ARG 215 CO -0.07 0.91 0.41 0.93 -1.07 0.00 0.00 179.97 181.07 1iwa h GLU 216 N 1.23 0.79 -0.73 0.04 3.07 -1.97 -0.78 114.58 116.23 1iwa h GLU 216 Ca 0.31 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.07 1iwa h GLU 216 Cb 0.04 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 27.74 1iwa h GLU 216 CO -0.05 0.52 0.27 -0.09 -1.40 0.00 0.00 179.01 178.26 1iwa h ARG 217 N 0.81 1.10 -0.02 2.33 2.43 -1.45 -1.58 114.38 118.00 1iwa h ARG 217 Ca 0.27 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1iwa h ARG 217 Cb 0.02 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1iwa h ARG 217 CO -0.10 0.90 0.00 1.88 -1.51 0.00 0.00 179.97 181.14 1iwa h TYR 218 N 1.07 0.04 0.18 2.20 -1.99 -0.62 -1.22 116.97 116.63 1iwa h TYR 218 Ca 0.24 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.96 1iwa h TYR 218 Cb 0.23 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 1iwa h TYR 218 CO 0.02 0.33 -0.12 -0.07 -0.00 0.00 0.00 178.16 178.31 1iwa h LEU 219 N -0.25 -0.31 -0.66 3.88 4.07 -1.04 -1.23 115.31 119.77 1iwa h LEU 219 Ca 0.01 0.02 -0.05 0.00 0.08 0.00 0.00 57.88 57.94 1iwa h LEU 219 Cb 0.31 0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.12 1iwa h LEU 219 CO 0.00 -0.20 0.22 -0.26 -1.08 0.00 0.00 178.44 177.12 1iwa h PHE 220 N -0.30 1.05 -0.47 1.13 -1.00 -1.35 -2.75 116.94 113.23 1iwa h PHE 220 Ca -0.01 -0.10 -0.02 0.00 2.81 0.00 0.00 57.97 60.65 1iwa h PHE 220 Cb 0.26 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 39.50 1iwa h PHE 220 CO -0.10 0.84 0.21 1.15 -1.61 0.00 0.00 178.31 178.81 1iwa h THR 221 N 0.95 1.19 -0.05 -1.55 2.02 -1.11 -1.95 112.91 112.42 1iwa h THR 221 Ca 0.21 -0.57 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 1iwa h THR 221 Cb 0.28 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1iwa h THR 221 CO -0.01 0.22 -0.19 0.24 0.37 0.00 0.00 175.52 176.15 1iwa h MET 222 N 0.62 0.08 -0.30 6.66 2.86 -1.15 -0.12 114.93 123.58 1iwa h MET 222 Ca 0.16 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.73 1iwa h MET 222 Cb 0.14 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1iwa h MET 222 CO -0.02 0.27 -0.00 1.49 1.06 0.00 0.00 176.91 179.71 1iwa h GLU 223 N 0.07 0.53 -0.66 1.72 4.57 -1.16 -2.19 114.58 117.45 1iwa h GLU 223 Ca 0.01 -0.17 -0.06 0.00 -1.18 0.00 0.00 59.36 57.96 1iwa h GLU 223 Cb 0.38 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 1iwa h GLU 223 CO 0.03 0.67 0.18 0.00 -1.18 0.00 0.00 179.01 178.71 1iwa h ALA 224 N 0.83 0.87 -0.23 2.92 0.00 -0.65 -2.35 119.26 120.65 1iwa h ALA 224 Ca 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1iwa h ALA 224 Cb 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1iwa h ALA 224 CO 0.02 0.57 0.11 0.28 0.00 0.00 0.00 179.25 180.23 1iwa h VAL 225 N 0.98 1.15 -0.16 0.00 2.07 -0.94 -0.74 116.25 118.61 1iwa h VAL 225 Ca 0.21 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 1iwa h VAL 225 Cb 0.33 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1iwa h VAL 225 CO -0.00 0.15 -0.26 0.78 0.02 0.00 0.00 177.57 178.26 1iwa h ASN 226 N 0.24 0.28 -0.09 0.57 2.35 -1.35 -1.10 115.58 116.48 1iwa h ASN 226 Ca 0.08 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1iwa h ASN 226 Cb 0.14 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 1iwa h ASN 226 CO -0.01 0.55 -0.00 0.11 -1.65 0.00 0.00 177.43 176.43 1iwa h LYS 227 N 0.26 0.16 -0.45 0.81 1.57 -1.13 -0.92 116.57 116.87 1iwa h LYS 227 Ca 0.04 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1iwa h LYS 227 Cb 0.60 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 1iwa h LYS 227 CO 0.04 0.43 0.14 0.00 -0.57 0.00 0.00 179.45 179.49 1iwa h ALA 228 N 0.73 0.52 -0.29 3.86 0.00 -0.87 0.38 119.26 123.60 1iwa h ALA 228 Ca 0.03 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1iwa h ALA 228 Cb 0.36 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1iwa h ALA 228 CO 0.01 -0.25 0.04 1.03 0.00 0.00 0.00 179.25 180.07 1iwa h SER 229 N 0.30 -0.02 0.42 0.00 0.87 -1.11 -0.47 113.55 113.54 1iwa h SER 229 Ca 0.21 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 1iwa h SER 229 Cb 0.23 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1iwa h SER 229 CO -0.23 0.03 -0.16 0.00 -0.53 0.00 0.00 176.83 175.93 1iwa h ALA 230 N 1.22 1.29 -0.01 6.23 0.00 -0.13 0.27 119.26 128.14 1iwa h ALA 230 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1iwa h ALA 230 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1iwa h ALA 230 CO -0.19 0.20 -0.23 0.00 0.00 0.00 0.00 179.25 179.04 1iwa n ALA 231 N -2.31 3.02 0.00 0.00 0.00 0.12 -4.46 120.51 116.89 1iwa n ALA 231 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1iwa n ALA 231 Cb 0.28 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.37 0.00 -0.97 0.00 -2.24 -0.30 -5.02 114.28 105.38 1iwa n THR 232 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1iwa n THR 232 Cb 0.37 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 0.97 0.56 3.84 3.38 0.00 0.91 -5.03 105.19 109.83 1iwa n GLY 233 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.03 2.81 -0.31 1.61 2.02 -1.24 -5.07 118.70 118.48 1iwa s GLU 234 Ca 0.00 -1.19 -0.22 0.00 0.02 0.00 0.00 54.97 53.59 1iwa s GLU 234 Cb 0.00 -2.51 -0.00 0.00 0.10 0.00 0.00 34.13 31.72 1iwa s GLU 234 CO 0.00 0.24 0.69 0.08 0.02 0.00 0.00 175.26 176.29 1iwa s VAL 235 N -2.23 4.87 0.32 2.63 1.01 -1.26 -4.46 120.40 121.28 1iwa s VAL 235 Ca 0.37 0.94 0.08 0.00 0.00 0.00 0.00 61.98 63.37 1iwa s VAL 235 Cb -0.07 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1iwa s VAL 235 CO 0.26 -0.21 0.13 -0.54 0.00 0.00 0.00 175.10 174.73 1iwa s LYS 236 N 2.77 2.42 0.04 2.72 -0.14 -1.26 -5.00 119.74 121.29 1iwa s LYS 236 Ca 0.28 -1.47 -0.27 0.00 -1.36 0.00 0.00 55.97 53.15 1iwa s LYS 236 Cb -0.14 -2.22 0.08 0.00 -1.68 0.00 0.00 37.83 33.86 1iwa s LYS 236 CO 0.13 0.18 0.71 0.20 -0.76 0.00 0.00 175.35 175.81 1iwa s GLY 237 N -3.82 -0.55 -0.06 -3.33 0.00 -1.18 -4.81 107.32 93.57 1iwa s GLY 237 Ca 0.36 0.94 0.01 0.00 0.00 0.00 0.00 44.72 46.04 1iwa s GLY 237 CO 0.23 0.48 -0.07 -1.58 0.00 0.00 0.00 173.10 172.15 1iwa s HIS 238 N -2.74 1.06 -0.50 1.90 2.46 -1.26 -2.74 115.29 113.48 1iwa s HIS 238 Ca -0.01 -0.37 -0.27 0.00 0.47 0.00 0.00 55.06 54.87 1iwa s HIS 238 Cb -0.01 -0.86 -0.02 0.00 -0.13 0.00 0.00 32.58 31.56 1iwa s HIS 238 CO -0.05 -0.26 1.80 0.71 -2.47 0.00 0.00 174.74 174.47 1iwa s TYR 239 N 0.95 1.77 -0.30 3.88 2.02 0.46 -4.63 117.35 121.49 1iwa s TYR 239 Ca -0.10 0.73 -0.26 0.00 -0.37 0.00 0.00 57.07 57.07 1iwa s TYR 239 Cb -0.15 -4.12 0.01 0.00 -0.40 0.00 0.00 41.96 37.30 1iwa s TYR 239 CO 0.00 -2.49 0.90 -0.51 -1.57 0.00 0.00 175.55 171.89 1iwa s LEU 240 N 8.04 4.04 -0.29 -1.29 1.43 -1.25 -2.10 118.68 127.26 1iwa s LEU 240 Ca 0.71 0.85 -0.29 0.00 -1.03 0.00 0.00 54.13 54.37 1iwa s LEU 240 Cb -0.16 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1iwa s LEU 240 CO 0.26 -0.70 1.22 0.21 0.23 0.00 0.00 176.35 177.57 1iwa s ASN 241 N 1.59 6.80 0.00 2.29 3.04 -1.26 -1.62 114.94 125.77 1iwa s ASN 241 Ca 0.38 1.23 0.24 0.00 0.04 0.00 0.00 52.86 54.74 1iwa s ASN 241 Cb -0.14 -2.54 0.49 0.00 -1.54 0.00 0.00 41.25 37.52 1iwa s ASN 241 CO 0.13 -0.97 1.43 1.33 -3.04 0.00 0.00 177.10 175.98 1iwa n VAL 242 N 5.97 0.23 -1.60 -5.21 0.24 -0.82 -4.83 118.33 112.31 1iwa n VAL 242 Ca 0.14 -0.54 -0.49 0.00 -2.04 0.00 0.00 64.34 61.41 1iwa n VAL 242 Cb 0.46 0.97 -0.04 0.00 -1.47 0.00 0.00 33.84 33.77 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 1.08 0.64 -3.91 3.34 -1.04 -1.26 -4.43 114.28 108.70 1iwa n THR 243 Ca 0.17 -0.16 -0.10 0.00 -2.04 0.00 0.00 64.05 61.92 1iwa n THR 243 Cb 0.52 -0.99 -0.01 0.00 -1.82 0.00 0.00 70.33 68.03 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 0.06 -0.44 0.06 2.41 0.00 -1.26 -4.86 121.76 117.73 1iwa s ALA 244 Ca 0.75 -0.84 -0.21 0.00 0.00 0.00 0.00 51.96 51.66 1iwa s ALA 244 Cb -0.83 0.88 -0.13 0.00 0.00 0.00 0.00 23.12 23.05 1iwa s ALA 244 CO 0.50 -0.93 1.48 0.00 0.00 0.00 0.00 175.76 176.80 1iwa h ALA 245 N 2.07 0.19 -1.94 0.00 0.00 -1.95 -3.46 119.26 114.16 1iwa h ALA 245 Ca -0.28 -0.19 -0.58 0.00 0.00 0.00 0.00 54.91 53.87 1iwa h ALA 245 Cb 1.25 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 1iwa h ALA 245 CO 0.36 -0.11 -0.61 0.95 0.00 0.00 0.00 179.25 179.84 1iwa s THR 246 N -4.96 2.76 0.23 0.00 -4.23 -1.26 -5.04 115.64 103.15 1iwa s THR 246 Ca -0.14 -1.92 -0.03 0.00 -1.18 0.00 0.00 61.69 58.42 1iwa s THR 246 Cb 0.06 -2.82 0.06 0.00 1.34 0.00 0.00 72.50 71.13 1iwa s THR 246 CO 0.71 -0.21 1.67 -0.03 -0.54 0.00 0.00 174.62 176.22 1iwa h MET 247 N 1.77 0.74 -0.30 3.99 4.05 -1.99 -1.69 114.93 121.50 1iwa h MET 247 Ca -0.43 -0.27 0.02 0.00 -0.28 0.00 0.00 59.70 58.73 1iwa h MET 247 Cb 1.25 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.98 1iwa h MET 247 CO 0.65 0.87 0.16 0.93 0.23 0.00 0.00 176.91 179.75 1iwa h GLU 248 N 0.66 0.32 -0.44 0.39 3.07 -1.99 -0.03 114.58 116.56 1iwa h GLU 248 Ca 0.10 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.88 1iwa h GLU 248 Cb 0.66 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 1iwa h GLU 248 CO 0.05 0.21 0.01 1.49 -1.40 0.00 0.00 179.01 179.37 1iwa h GLU 249 N 0.33 0.70 -0.41 2.33 4.57 -1.91 -1.63 114.58 118.56 1iwa h GLU 249 Ca 0.12 -0.17 -0.13 0.00 -1.18 0.00 0.00 59.36 58.00 1iwa h GLU 249 Cb 0.02 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1iwa h GLU 249 CO -0.07 0.70 -0.27 0.52 -1.18 0.00 0.00 179.01 178.71 1iwa h MET 250 N 0.66 0.87 -0.58 1.92 2.86 -0.80 -2.63 114.93 117.23 1iwa h MET 250 Ca 0.14 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 1iwa h MET 250 Cb 0.39 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1iwa h MET 250 CO 0.01 1.03 0.27 1.88 1.06 0.00 0.00 176.91 181.17 1iwa h TYR 251 N 0.74 0.85 -0.99 -0.22 0.05 -0.59 -0.57 116.97 116.24 1iwa h TYR 251 Ca 0.09 -0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.84 1iwa h TYR 251 Cb 0.83 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 38.26 1iwa h TYR 251 CO 0.05 0.65 0.66 0.00 -1.05 0.00 0.00 178.16 178.47 1iwa h ALA 252 N 1.11 1.31 -0.07 3.88 0.00 -1.17 0.31 119.26 124.63 1iwa h ALA 252 Ca 0.20 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 1iwa h ALA 252 Cb 0.13 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 17.55 1iwa h ALA 252 CO -0.02 0.63 -0.91 0.00 0.00 0.00 0.00 179.25 178.95 1iwa h ARG 253 N 1.32 0.72 -0.50 0.00 3.08 -1.17 -2.09 114.38 115.75 1iwa h ARG 253 Ca 0.37 -0.68 -0.07 0.00 0.07 0.00 0.00 59.98 59.67 1iwa h ARG 253 Cb -0.11 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1iwa h ARG 253 CO -0.09 1.27 0.03 0.00 -1.07 0.00 0.00 179.97 180.12 1iwa h ALA 254 N 0.51 0.67 -0.68 0.04 0.00 -0.74 -1.89 119.26 117.16 1iwa h ALA 254 Ca -0.09 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1iwa h ALA 254 Cb 1.55 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1iwa h ALA 254 CO 0.18 0.45 0.19 -0.91 0.00 0.00 0.00 179.25 179.16 1iwa h ASN 255 N 0.73 1.00 -0.49 0.00 -0.26 -0.40 -1.31 115.58 114.84 1iwa h ASN 255 Ca 0.15 -0.19 -0.12 0.00 -0.56 0.00 0.00 56.30 55.58 1iwa h ASN 255 Cb 0.47 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.45 1iwa h ASN 255 CO 0.02 0.94 -0.14 0.15 -1.06 0.00 0.00 177.43 177.34 1iwa h PHE 256 N 1.02 1.11 -0.82 1.19 3.57 -1.22 0.45 116.94 122.24 1iwa h PHE 256 Ca 0.22 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1iwa h PHE 256 Cb 0.32 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 1iwa h PHE 256 CO 0.02 1.05 0.49 0.00 -2.23 0.00 0.00 178.31 177.64 1iwa h ALA 257 N 0.96 1.31 -0.06 2.41 0.00 -1.04 -1.43 119.26 121.41 1iwa h ALA 257 Ca 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1iwa h ALA 257 Cb 0.70 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1iwa h ALA 257 CO 0.05 0.59 0.01 -0.22 0.00 0.00 0.00 179.25 179.68 1iwa h LYS 258 N 1.13 0.11 -0.65 0.00 3.64 -0.68 -1.85 116.57 118.27 1iwa h LYS 258 Ca 0.29 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.76 1iwa h LYS 258 Cb -0.04 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.69 1iwa h LYS 258 CO -0.05 0.34 0.22 0.93 -2.27 0.00 0.00 179.45 178.61 1iwa h GLU 259 N -0.14 0.36 0.00 1.90 5.08 -0.41 -0.22 114.58 121.14 1iwa h GLU 259 Ca 0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1iwa h GLU 259 Cb 0.28 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1iwa h GLU 259 CO 0.00 0.24 0.00 1.28 -1.00 0.00 0.00 179.01 179.53 1iwa n LEU 260 N -5.04 0.00 0.00 1.33 4.77 -0.58 -4.90 117.00 112.57 1iwa n LEU 260 Ca 0.10 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1iwa n LEU 260 Cb 0.33 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1iwa n LEU 260 CO 0.19 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1iwa n GLY 261 N 0.52 0.49 3.77 -0.72 0.00 -0.10 -5.03 105.19 104.12 1iwa n GLY 261 Ca 0.14 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 1iwa n GLY 261 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iwa s SER 262 N -2.84 6.32 0.01 1.61 0.15 -0.72 -4.90 113.70 113.33 1iwa s SER 262 Ca 0.00 2.65 0.26 0.00 0.70 0.00 0.00 55.95 59.56 1iwa s SER 262 Cb 0.00 -2.64 0.71 0.00 -1.71 0.00 0.00 66.02 62.39 1iwa s SER 262 CO 0.00 -0.84 1.56 0.55 1.20 0.00 0.00 173.24 175.71 1iwa n VAL 263 N 0.14 0.03 -3.57 4.45 3.14 -1.26 -4.82 118.33 116.44 1iwa n VAL 263 Ca 0.04 -0.02 -0.11 0.00 -2.96 0.00 0.00 64.34 61.29 1iwa n VAL 263 Cb 0.44 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.19 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 -3.01 0.03 0.24 1.55 2.07 -1.26 -2.24 121.20 118.57 1iwa s ILE 264 Ca 0.12 -0.39 -0.11 0.00 -1.41 0.00 0.00 60.65 58.85 1iwa s ILE 264 Cb 0.18 -1.21 -0.01 0.00 0.13 0.00 0.00 42.46 41.54 1iwa s ILE 264 CO 0.65 -0.13 0.43 0.27 -1.91 0.00 0.00 174.94 174.25 1iwa s ILE 265 N -3.80 0.00 0.08 2.00 -4.36 -0.71 -3.77 121.20 110.63 1iwa s ILE 265 Ca 0.04 -1.48 0.01 0.00 -0.26 0.00 0.00 60.65 58.96 1iwa s ILE 265 Cb -0.00 -2.23 -0.04 0.00 1.25 0.00 0.00 42.46 41.44 1iwa s ILE 265 CO -0.10 -0.01 -0.05 0.00 0.24 0.00 0.00 174.94 175.03 1iwa s MET 266 N -4.03 0.74 0.02 0.37 0.23 -0.64 -1.18 119.30 114.81 1iwa s MET 266 Ca 0.24 -1.29 -0.02 0.00 -1.03 0.00 0.00 55.69 53.60 1iwa s MET 266 Cb 0.00 -0.03 -0.02 0.00 -1.53 0.00 0.00 34.83 33.25 1iwa s MET 266 CO 0.09 -0.06 0.01 0.96 -2.03 0.00 0.00 175.02 173.99 1iwa s ILE 267 N -3.75 0.11 0.05 3.16 -4.36 -0.22 -1.94 121.20 114.25 1iwa s ILE 267 Ca 0.10 -0.92 -0.12 0.00 -0.26 0.00 0.00 60.65 59.46 1iwa s ILE 267 Cb 0.06 -0.38 -0.06 0.00 1.25 0.00 0.00 42.46 43.34 1iwa s ILE 267 CO -0.07 -0.50 0.40 -1.81 0.24 0.00 0.00 174.94 173.20 1iwa s ASP 268 N -1.54 6.70 0.62 4.36 1.01 -1.26 -0.62 116.67 125.93 1iwa s ASP 268 Ca -0.14 0.85 0.34 0.00 0.71 0.00 0.00 52.55 54.31 1iwa s ASP 268 Cb -0.08 -2.20 1.99 0.00 1.01 0.00 0.00 42.92 43.63 1iwa s ASP 268 CO -0.01 0.23 2.27 0.25 0.21 0.00 0.00 175.17 178.12 1iwa h LEU 270 N 4.10 0.00 -0.31 1.23 5.85 -0.86 -2.20 115.31 123.11 1iwa h LEU 270 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 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 0.64 0.00 0.00 0.55 -0.34 0.00 0.00 178.44 179.29 1iwa n VAL 271 N -3.58 1.46 0.21 1.05 3.14 -1.26 -2.12 118.33 117.23 1iwa n VAL 271 Ca -0.02 0.45 0.10 0.00 -2.96 0.00 0.00 64.34 61.90 1iwa n VAL 271 Cb 0.11 -1.38 0.25 0.00 -1.06 0.00 0.00 33.84 31.76 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 0.32 0.00 1.55 3.07 -1.78 -3.49 117.51 117.17 1iwa h ILE 272 Ca 0.00 -1.28 0.00 0.00 1.55 0.00 0.00 64.86 65.13 1iwa h ILE 272 Cb 0.10 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 1iwa h ILE 272 CO 0.00 0.17 0.00 0.61 -1.05 0.00 0.00 178.15 177.88 1iwa n GLY 273 N 0.84 2.64 0.28 0.16 0.00 -0.90 -4.58 105.19 103.62 1iwa n GLY 273 Ca 0.02 -1.80 0.02 0.00 0.00 0.00 0.00 46.02 44.26 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 0.68 -0.31 1.61 0.05 -1.96 -0.53 116.97 116.51 1iwa h TYR 274 Ca 0.00 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 1iwa h TYR 274 Cb 0.00 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 1iwa h TYR 274 CO 0.00 0.24 0.09 1.15 -1.05 0.00 0.00 178.16 178.59 1iwa h THR 275 N 0.64 1.21 -0.55 -2.88 2.02 -1.99 0.74 112.91 112.10 1iwa h THR 275 Ca 0.37 -0.69 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 1iwa h THR 275 Cb 0.39 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1iwa h THR 275 CO -0.27 0.23 0.02 0.00 0.37 0.00 0.00 175.52 175.87 1iwa h ALA 276 N 0.92 0.74 -0.16 6.16 0.00 -1.74 -0.32 119.26 124.87 1iwa h ALA 276 Ca 0.10 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1iwa h ALA 276 Cb 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1iwa h ALA 276 CO -0.00 0.55 -0.05 0.82 0.00 0.00 0.00 179.25 180.57 1iwa h ILE 277 N 0.84 0.81 -0.14 0.00 2.04 -0.85 0.29 117.51 120.50 1iwa h ILE 277 Ca 0.16 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.97 1iwa h ILE 277 Cb 0.51 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1iwa h ILE 277 CO 0.02 0.00 -0.12 1.56 0.00 0.00 0.00 178.15 179.62 1iwa h GLN 278 N -0.02 0.22 -0.29 2.37 4.20 -0.65 0.42 115.11 121.36 1iwa h GLN 278 Ca 0.08 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.60 1iwa h GLN 278 Cb 0.14 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1iwa h GLN 278 CO -0.18 0.34 -0.39 1.15 -0.67 0.00 0.00 178.83 179.09 1iwa h THR 279 N 0.21 1.29 -0.27 -0.54 2.02 -0.13 -1.91 112.91 113.59 1iwa h THR 279 Ca 0.04 -1.57 -0.14 0.00 0.77 0.00 0.00 66.41 65.51 1iwa h THR 279 Cb 0.34 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1iwa h THR 279 CO 0.02 0.51 -0.40 0.24 0.37 0.00 0.00 175.52 176.25 1iwa h MET 280 N 0.53 0.63 -0.84 6.66 2.86 0.26 -0.61 114.93 124.43 1iwa h MET 280 Ca 0.03 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1iwa h MET 280 Cb 0.98 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.61 1iwa h MET 280 CO 0.09 0.92 0.50 0.00 1.06 0.00 0.00 176.91 179.48 1iwa h ALA 281 N 1.04 1.07 -0.49 6.32 0.00 -0.09 0.20 119.26 127.31 1iwa h ALA 281 Ca 0.04 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1iwa h ALA 281 Cb 0.92 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1iwa h ALA 281 CO 0.08 0.55 -0.05 -0.22 0.00 0.00 0.00 179.25 179.61 1iwa h LYS 282 N 1.16 0.90 -0.10 0.00 3.11 -1.06 -2.38 116.57 118.20 1iwa h LYS 282 Ca 0.30 -0.31 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1iwa h LYS 282 Cb -0.03 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.13 1iwa h LYS 282 CO -0.05 0.96 0.07 2.35 -2.81 0.00 0.00 179.45 179.96 1iwa h TRP 283 N 0.75 0.13 -0.52 1.91 7.01 -0.30 -2.48 115.95 122.45 1iwa h TRP 283 Ca 0.13 0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.22 1iwa h TRP 283 Cb 0.59 -0.04 -0.07 0.00 -2.10 0.00 0.00 29.16 27.54 1iwa h TRP 283 CO 0.04 0.11 0.14 0.00 -2.79 0.00 0.00 178.44 175.94 1iwa h ALA 284 N 1.01 0.61 -1.00 2.65 0.00 -0.49 -0.89 119.26 121.16 1iwa h ALA 284 Ca 0.04 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1iwa h ALA 284 Cb 0.01 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1iwa h ALA 284 CO -0.01 -0.27 0.66 -0.09 0.00 0.00 0.00 179.25 179.54 1iwa h ARG 285 N 0.28 1.30 0.00 0.00 9.65 -1.26 -2.02 114.38 122.33 1iwa h ARG 285 Ca 0.26 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 1iwa h ARG 285 Cb 0.34 -0.29 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 1iwa h ARG 285 CO -0.31 0.86 0.00 -0.25 2.80 0.00 0.00 179.97 183.06 1iwa n ASP 286 N -4.40 0.62 -0.76 -3.80 10.43 -0.70 -3.87 116.55 114.07 1iwa n ASP 286 Ca 0.12 0.58 0.06 0.00 2.57 0.00 0.00 54.79 58.12 1iwa n ASP 286 Cb 0.03 -0.74 0.15 0.00 1.84 0.00 0.00 41.12 42.40 1iwa n ASP 286 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1iwa n ASN 287 N -2.10 1.54 -4.28 -2.24 3.02 -0.42 -5.01 115.26 105.76 1iwa n ASN 287 Ca 0.05 -3.30 -0.30 0.00 -0.03 0.00 0.00 54.58 50.99 1iwa n ASN 287 Cb 0.36 -0.45 -0.10 0.00 -0.61 0.00 0.00 39.78 38.98 1iwa n ASN 287 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1iwa n ASP 288 N -0.72 0.93 -4.30 6.41 9.92 -0.87 -4.94 116.55 122.98 1iwa n ASP 288 Ca 0.15 -1.25 -0.31 0.00 -0.53 0.00 0.00 54.79 52.84 1iwa n ASP 288 Cb 0.80 -1.56 -0.16 0.00 -0.64 0.00 0.00 41.12 39.56 1iwa n ASP 288 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1iwa s MET 289 N -7.30 2.17 0.00 -1.24 1.75 -1.01 -4.97 119.30 108.70 1iwa s MET 289 Ca 0.00 -0.92 -0.30 0.00 -1.25 0.00 0.00 55.69 53.22 1iwa s MET 289 Cb -0.00 -2.05 -0.03 0.00 2.84 0.00 0.00 34.83 35.59 1iwa s MET 289 CO 0.98 0.53 0.98 0.42 -0.65 0.00 0.00 175.02 177.28 1iwa s ILE 290 N -0.54 4.87 -0.43 10.11 1.01 -0.95 -4.66 121.20 130.60 1iwa s ILE 290 Ca 0.08 2.06 -0.08 0.00 0.00 0.00 0.00 60.65 62.71 1iwa s ILE 290 Cb -0.11 -4.32 0.10 0.00 0.01 0.00 0.00 42.46 38.14 1iwa s ILE 290 CO -0.00 0.16 0.27 -0.22 0.00 0.00 0.00 174.94 175.14 1iwa s LEU 291 N 1.00 5.30 0.01 2.97 2.96 -1.26 -1.75 118.68 127.91 1iwa s LEU 291 Ca 0.52 -1.74 -0.21 0.00 -0.22 0.00 0.00 54.13 52.48 1iwa s LEU 291 Cb -0.21 -1.95 -0.06 0.00 0.50 0.00 0.00 46.19 44.47 1iwa s LEU 291 CO 0.28 -0.58 0.61 -2.28 -1.32 0.00 0.00 176.35 173.06 1iwa s HIS 292 N 1.34 3.70 -0.17 5.38 5.65 -0.32 -0.30 115.29 130.57 1iwa s HIS 292 Ca 0.05 1.24 -0.01 0.00 0.25 0.00 0.00 55.06 56.58 1iwa s HIS 292 Cb -0.24 -2.62 -0.01 0.00 -1.18 0.00 0.00 32.58 28.54 1iwa s HIS 292 CO -0.00 0.37 -0.11 -1.17 -0.65 0.00 0.00 174.74 173.18 1iwa s LEU 293 N -0.29 2.71 -0.24 8.88 2.96 -0.78 -1.05 118.68 130.87 1iwa s LEU 293 Ca 0.31 -0.39 -0.14 0.00 -0.22 0.00 0.00 54.13 53.69 1iwa s LEU 293 Cb -0.19 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1iwa s LEU 293 CO 0.18 0.08 0.33 -2.28 -1.32 0.00 0.00 176.35 173.33 1iwa s HIS 294 N 0.88 3.31 0.00 5.38 5.65 0.21 -3.52 115.29 127.20 1iwa s HIS 294 Ca -0.03 0.44 0.00 0.00 0.25 0.00 0.00 55.06 55.72 1iwa s HIS 294 Cb -0.15 -2.47 0.00 0.00 -1.18 0.00 0.00 32.58 28.78 1iwa s HIS 294 CO 0.00 -0.07 0.76 2.89 -0.65 0.00 0.00 174.74 177.67 1iwa n ARG 295 N 4.73 0.63 -1.53 2.88 1.85 -1.26 -0.28 116.66 123.69 1iwa n ARG 295 Ca -0.10 0.00 -0.58 0.00 -1.00 0.00 0.00 57.85 56.17 1iwa n ARG 295 Cb 0.51 -1.18 -0.08 0.00 -1.05 0.00 0.00 32.46 30.66 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 0.89 -3.14 -0.72 2.89 0.00 -1.26 -1.22 120.51 117.95 1iwa n ALA 296 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1iwa n ALA 296 Cb 0.32 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 1.78 1.13 0.32 0.00 0.00 -1.26 -3.98 105.19 103.18 1iwa n GLY 297 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.23 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 0.82 0.26 1.61 -1.24 -1.57 -1.66 115.58 113.79 1iwa h ASN 298 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1iwa h ASN 298 Cb 0.00 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 38.90 1iwa h ASN 298 CO 0.00 0.53 0.00 -1.20 -1.29 0.00 0.00 177.43 175.47 1iwa n SER 299 N -4.63 0.00 0.16 1.15 7.64 -1.26 -2.11 113.62 114.57 1iwa n SER 299 Ca 0.12 0.28 0.12 0.00 1.01 0.00 0.00 58.87 60.41 1iwa n SER 299 Cb 0.17 -0.37 0.58 0.00 -1.01 0.00 0.00 64.21 63.58 1iwa n SER 299 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iwa h THR 300 N 0.00 0.00 0.00 0.44 1.03 -1.71 -3.20 112.91 109.47 1iwa h THR 300 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 66.25 1iwa h THR 300 Cb 0.13 0.81 0.00 0.00 -1.07 0.00 0.00 68.15 68.01 1iwa h THR 300 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.51 1iwa n TYR 301 N -2.34 0.00 0.54 0.00 0.18 -0.90 -4.90 117.16 109.75 1iwa n TYR 301 Ca 0.00 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.84 1iwa n TYR 301 Cb 0.15 0.01 -0.03 0.00 -0.38 0.00 0.00 39.34 39.09 1iwa n TYR 301 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1iwa n SER 302 N 0.00 1.01 0.19 9.48 3.41 -0.98 -0.67 113.62 126.06 1iwa n SER 302 Ca 0.00 -1.00 -0.11 0.00 -0.26 0.00 0.00 58.87 57.50 1iwa n SER 302 Cb 0.17 0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 64.76 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 0.77 -0.54 -7.01 4.33 9.65 -1.82 -3.43 114.38 116.33 1iwa h ARG 303 Ca 0.00 0.04 -0.50 0.00 -1.10 0.00 0.00 59.98 58.42 1iwa h ARG 303 Cb 0.35 0.12 0.05 0.00 -1.39 0.00 0.00 29.97 29.11 1iwa h ARG 303 CO 0.00 -0.27 0.45 -0.65 2.80 0.00 0.00 179.97 182.30 1iwa s GLN 304 N -3.78 3.79 0.00 0.20 -1.52 -1.26 -3.85 119.66 113.24 1iwa s GLN 304 Ca -0.11 1.65 0.26 0.00 -1.95 0.00 0.00 55.36 55.21 1iwa s GLN 304 Cb 0.01 -2.34 0.76 0.00 -0.22 0.00 0.00 33.01 31.22 1iwa s GLN 304 CO 0.36 -0.49 1.59 1.17 -0.25 0.00 0.00 175.29 177.66 1iwa n LYS 305 N -0.57 0.14 -0.04 2.91 4.81 -1.26 -4.06 118.16 120.10 1iwa n LYS 305 Ca 0.08 -0.07 -0.01 0.00 -0.87 0.00 0.00 58.31 57.44 1iwa n LYS 305 Cb 0.49 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.90 1iwa n LYS 305 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1iwa n ASN 306 N -1.37 0.25 -3.88 3.14 6.94 -1.26 -4.96 115.26 114.12 1iwa n ASN 306 Ca 0.07 0.11 -0.11 0.00 -0.02 0.00 0.00 54.58 54.64 1iwa n ASN 306 Cb 0.33 1.05 -0.09 0.00 -2.36 0.00 0.00 39.78 38.71 1iwa n ASN 306 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1iwa s HIS 307 N -2.92 0.09 0.00 -2.53 5.04 -1.26 -3.18 115.29 110.54 1iwa s HIS 307 Ca -0.07 -0.27 0.00 0.00 -1.54 0.00 0.00 55.06 53.18 1iwa s HIS 307 Cb 0.09 -0.07 0.00 0.00 0.04 0.00 0.00 32.58 32.64 1iwa s HIS 307 CO 0.85 -0.33 0.00 0.41 -2.34 0.00 0.00 174.74 173.32 1iwa n GLY 308 N 1.12 0.25 3.00 1.59 0.00 -0.56 -4.50 105.19 106.08 1iwa n GLY 308 Ca -0.21 -1.91 -0.19 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 0.74 0.13 1.61 -1.94 0.16 -1.17 119.30 118.83 1iwa s MET 309 Ca 0.00 -0.28 -0.29 0.00 -1.71 0.00 0.00 55.69 53.41 1iwa s MET 309 Cb 0.00 -0.71 -0.07 0.00 2.01 0.00 0.00 34.83 36.06 1iwa s MET 309 CO 0.00 0.14 0.91 1.21 -0.01 0.00 0.00 175.02 177.27 1iwa s ASN 310 N -0.02 7.47 0.59 3.03 3.84 -0.46 -3.65 114.94 125.73 1iwa s ASN 310 Ca 0.01 1.75 0.29 0.00 0.21 0.00 0.00 52.86 55.12 1iwa s ASN 310 Cb -0.05 -2.56 1.44 0.00 -0.55 0.00 0.00 41.25 39.53 1iwa s ASN 310 CO -0.00 0.01 1.85 0.15 -2.79 0.00 0.00 177.10 176.33 1iwa h PHE 311 N 5.22 0.00 -0.26 0.43 3.57 -1.91 0.61 116.94 124.61 1iwa h PHE 311 Ca -0.44 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.07 1iwa h PHE 311 Cb 1.21 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1iwa h PHE 311 CO 0.64 0.00 0.17 0.07 -2.23 0.00 0.00 178.31 176.96 1iwa h ARG 312 N 0.00 0.29 -0.18 1.11 0.11 -1.91 0.27 114.38 114.08 1iwa h ARG 312 Ca 0.26 -0.02 -0.21 0.00 0.10 0.00 0.00 59.98 60.11 1iwa h ARG 312 Cb 1.36 -0.07 0.01 0.00 1.11 0.00 0.00 29.97 32.38 1iwa h ARG 312 CO -0.00 0.19 -0.69 0.28 0.10 0.00 0.00 179.97 179.85 1iwa h VAL 313 N 0.30 1.29 -0.60 0.08 2.07 -1.10 -2.88 116.25 115.41 1iwa h VAL 313 Ca 0.10 -1.90 -0.00 0.00 0.82 0.00 0.00 66.70 65.72 1iwa h VAL 313 Cb 0.03 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1iwa h VAL 313 CO -0.02 0.60 0.37 0.40 0.02 0.00 0.00 177.57 178.94 1iwa h ILE 314 N 0.51 1.17 -0.71 4.57 1.08 -1.20 -1.44 117.51 121.49 1iwa h ILE 314 Ca -0.04 -0.37 -0.04 0.00 -0.39 0.00 0.00 64.86 64.03 1iwa h ILE 314 Cb 1.32 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 35.35 1iwa h ILE 314 CO 0.15 0.18 0.30 0.00 -0.69 0.00 0.00 178.15 178.08 1iwa h LYS 316 N 1.01 0.74 -0.35 0.00 1.57 -1.08 -0.32 116.57 118.14 1iwa h LYS 316 Ca 0.24 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1iwa h LYS 316 Cb 0.18 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1iwa h LYS 316 CO -0.02 0.76 0.00 -1.49 -0.57 0.00 0.00 179.45 178.13 1iwa h TRP 317 N 0.61 0.68 0.00 -1.35 6.55 -1.08 -1.50 115.95 119.86 1iwa h TRP 317 Ca 0.14 -0.12 -0.06 0.00 0.95 0.00 0.00 58.89 59.80 1iwa h TRP 317 Cb 0.36 -0.18 -0.01 0.00 -0.86 0.00 0.00 29.16 28.48 1iwa h TRP 317 CO 0.02 0.72 -0.29 0.52 -1.05 0.00 0.00 178.44 178.37 1iwa h MET 318 N 0.44 0.00 -0.16 0.49 2.86 -0.91 0.48 114.93 118.12 1iwa h MET 318 Ca 0.10 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.56 1iwa h MET 318 Cb 0.45 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.12 1iwa h MET 318 CO 0.02 0.29 -0.63 -0.09 1.06 0.00 0.00 176.91 177.56 1iwa h ARG 319 N 0.00 0.71 -0.24 1.72 1.12 -0.89 -2.31 114.38 114.49 1iwa h ARG 319 Ca -0.00 -0.55 -0.04 0.00 -1.11 0.00 0.00 59.98 58.28 1iwa h ARG 319 Cb 0.77 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.82 1iwa h ARG 319 CO 0.04 1.16 -0.02 0.52 -3.11 0.00 0.00 179.97 178.57 1iwa h MET 320 N 0.40 0.43 -0.96 0.20 2.86 -0.88 -2.80 114.93 114.19 1iwa h MET 320 Ca -0.03 -0.15 0.20 0.00 -2.06 0.00 0.00 59.70 57.66 1iwa h MET 320 Cb 1.26 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.79 1iwa h MET 320 CO 0.13 0.63 0.61 0.00 1.06 0.00 0.00 176.91 179.34 1iwa h ALA 321 N 0.79 1.96 0.00 6.32 0.00 0.00 -2.12 119.26 126.21 1iwa h ALA 321 Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1iwa h ALA 321 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1iwa h ALA 321 CO 0.02 -0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.39 1iwa n GLY 322 N -1.43 1.62 3.86 0.00 0.00 -0.91 -4.52 105.19 103.81 1iwa n GLY 322 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 4.71 -0.20 1.61 1.01 -0.94 -1.57 120.40 123.01 1iwa s VAL 323 Ca 0.00 0.82 0.14 0.00 0.00 0.00 0.00 61.98 62.94 1iwa s VAL 323 Cb 0.00 -3.70 -0.23 0.00 0.00 0.00 0.00 36.38 32.45 1iwa s VAL 323 CO 0.00 -0.46 0.04 0.47 0.00 0.00 0.00 175.10 175.15 1iwa n ASP 324 N -1.09 0.52 -4.27 3.32 8.00 0.59 -4.24 116.55 119.38 1iwa n ASP 324 Ca 0.03 -0.01 -0.15 0.00 0.71 0.00 0.00 54.79 55.38 1iwa n ASP 324 Cb 0.54 0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 42.14 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 -2.50 1.35 -0.29 1.24 3.76 -1.00 -0.43 115.29 117.42 1iwa s HIS 325 Ca -0.15 -0.71 -0.16 0.00 -0.15 0.00 0.00 55.06 53.88 1iwa s HIS 325 Cb 0.07 -0.67 0.13 0.00 1.11 0.00 0.00 32.58 33.22 1iwa s HIS 325 CO 0.78 0.14 0.92 -1.50 -0.85 0.00 0.00 174.74 174.22 1iwa s ILE 326 N -3.20 -0.05 -0.30 0.60 2.07 -0.92 -1.86 121.20 117.54 1iwa s ILE 326 Ca 0.17 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.13 1iwa s ILE 326 Cb 0.02 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.54 1iwa s ILE 326 CO 0.02 0.00 2.26 1.41 -1.91 0.00 0.00 174.94 176.72 1iwa n HIS 327 N 3.92 1.80 0.17 3.50 8.25 -1.23 -1.03 115.22 130.60 1iwa n HIS 327 Ca -0.18 -0.02 0.10 0.00 -0.26 0.00 0.00 57.72 57.35 1iwa n HIS 327 Cb 0.57 -2.68 0.18 0.00 1.12 0.00 0.00 29.99 29.19 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 12.19 2.37 -0.11 -1.41 0.00 -0.63 -4.81 120.51 128.10 1iwa n ALA 328 Ca 0.33 -0.99 0.01 0.00 0.00 0.00 0.00 53.44 52.80 1iwa n ALA 328 Cb 0.43 -0.70 -0.01 0.00 0.00 0.00 0.00 19.45 19.17 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 1.16 -2.26 2.40 0.00 0.00 -1.16 -4.89 105.19 100.45 1iwa n GLY 329 Ca 0.16 -1.45 -0.19 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.47 0.00 -0.03 2.61 -2.24 -1.26 -4.51 114.28 106.38 1iwa n THR 330 Ca -0.00 -1.48 -0.07 0.00 -2.27 0.00 0.00 64.05 60.22 1iwa n THR 330 Cb 0.05 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.32 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 -1.07 0.39 1.03 2.28 0.31 -1.26 -4.47 118.33 115.54 1iwa n VAL 331 Ca -0.08 -0.11 0.07 0.00 -0.01 0.00 0.00 64.34 64.21 1iwa n VAL 331 Cb 0.41 -1.35 0.22 0.00 -0.91 0.00 0.00 33.84 32.21 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 -3.14 0.37 -0.51 2.52 0.24 -1.26 -4.69 118.33 111.86 1iwa n VAL 332 Ca -0.13 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 1iwa n VAL 332 Cb 0.61 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 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 1.06 -0.98 0.19 7.63 0.00 -1.26 -4.47 105.19 107.36 1iwa n GLY 333 Ca 0.13 -1.64 0.14 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.53 0.87 -4.36 1.61 2.85 0.66 -4.72 118.16 114.55 1iwa n LYS 334 Ca 0.00 -0.38 -0.31 0.00 -1.05 0.00 0.00 58.31 56.56 1iwa n LYS 334 Cb 0.00 -1.49 -0.10 0.00 -0.65 0.00 0.00 35.03 32.79 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 -2.39 3.15 0.14 -5.58 2.01 -1.26 -5.01 118.68 109.73 1iwa s LEU 335 Ca 0.30 -0.23 -0.33 0.00 0.01 0.00 0.00 54.13 53.88 1iwa s LEU 335 Cb 0.20 -1.86 -0.18 0.00 0.01 0.00 0.00 46.19 44.36 1iwa s LEU 335 CO 0.46 0.24 0.84 1.21 1.01 0.00 0.00 176.35 180.11 1iwa n GLU 336 N 1.17 0.29 0.00 1.70 4.07 -1.26 -4.81 120.64 121.81 1iwa n GLU 336 Ca -0.14 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 1iwa n GLU 336 Cb 0.52 -1.38 0.00 0.00 -0.06 0.00 0.00 31.44 30.53 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 1.80 -1.83 3.72 8.31 0.00 -1.26 -4.81 105.19 111.13 1iwa n GLY 337 Ca 0.18 1.03 -0.42 0.00 0.00 0.00 0.00 46.02 46.81 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 6.79 0.17 1.61 2.15 -1.26 -4.50 116.67 121.63 1iwa s ASP 338 Ca 0.00 2.41 -0.19 0.00 0.43 0.00 0.00 52.55 55.20 1iwa s ASP 338 Cb 0.00 -2.60 0.10 0.00 -0.30 0.00 0.00 42.92 40.12 1iwa s ASP 338 CO 0.00 -0.65 1.63 1.55 -0.17 0.00 0.00 175.17 177.53 1iwa h PRO 339 N 6.31 -0.12 -0.18 4.34 0.13 -1.93 0.41 132.00 140.96 1iwa h PRO 339 Ca -0.43 0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.52 1iwa h PRO 339 Cb 1.21 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1iwa h PRO 339 CO 0.84 -0.08 -0.63 0.82 -0.23 0.00 0.00 178.00 178.72 1iwa h ILE 340 N -0.13 1.31 -0.60 -3.56 2.04 -1.92 -0.27 117.51 114.38 1iwa h ILE 340 Ca 0.19 -1.88 -0.10 0.00 1.00 0.00 0.00 64.86 64.07 1iwa h ILE 340 Cb 0.43 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 1iwa h ILE 340 CO -0.47 0.59 -0.02 0.40 0.00 0.00 0.00 178.15 178.64 1iwa h ILE 341 N 0.48 1.27 -0.72 -0.67 1.08 -1.74 -2.53 117.51 114.67 1iwa h ILE 341 Ca -0.01 -1.18 -0.06 0.00 -0.39 0.00 0.00 64.86 63.22 1iwa h ILE 341 Cb 1.21 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 35.75 1iwa h ILE 341 CO 0.12 0.43 0.21 0.74 -0.69 0.00 0.00 178.15 178.96 1iwa h THR 342 N 0.97 1.26 -0.66 -0.27 2.02 -0.02 -2.11 112.91 114.10 1iwa h THR 342 Ca 0.17 -0.93 0.04 0.00 0.77 0.00 0.00 66.41 66.46 1iwa h THR 342 Cb 0.59 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1iwa h THR 342 CO 0.03 0.36 0.44 -0.09 0.37 0.00 0.00 175.52 176.63 1iwa h ARG 343 N 1.08 0.72 -0.67 6.66 2.43 -0.73 -1.05 114.38 122.83 1iwa h ARG 343 Ca 0.23 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1iwa h ARG 343 Cb 0.33 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1iwa h ARG 343 CO -0.00 0.48 0.31 0.78 -1.51 0.00 0.00 179.97 180.03 1iwa h GLY 344 N 0.75 1.04 0.84 2.80 0.00 -0.98 -0.71 103.07 106.81 1iwa h GLY 344 Ca 0.27 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1iwa h GLY 344 CO -0.08 0.50 -0.13 0.74 0.00 0.00 0.00 176.54 177.56 1iwa h PHE 345 N 0.93 -0.35 -0.67 5.60 0.05 -0.98 -0.43 116.94 121.09 1iwa h PHE 345 Ca 0.23 0.00 0.05 0.00 3.82 0.00 0.00 57.97 62.07 1iwa h PHE 345 Cb 0.14 0.14 -0.05 0.00 2.00 0.00 0.00 35.95 38.17 1iwa h PHE 345 CO 0.01 -0.21 0.38 1.88 -0.18 0.00 0.00 178.31 180.19 1iwa h TYR 346 N -0.30 0.70 -0.48 -0.55 -1.99 -1.16 -1.70 116.97 111.48 1iwa h TYR 346 Ca 0.00 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.75 1iwa h TYR 346 Cb 0.28 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.77 1iwa h TYR 346 CO -0.12 0.35 0.29 0.87 -0.00 0.00 0.00 178.16 179.54 1iwa h LYS 347 N 0.71 0.66 -0.77 4.88 1.57 -0.85 -0.20 116.57 122.57 1iwa h LYS 347 Ca 0.29 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 59.08 1iwa h LYS 347 Cb 0.16 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 1iwa h LYS 347 CO -0.17 0.49 0.51 1.15 -0.57 0.00 0.00 179.45 180.86 1iwa h THR 348 N 0.64 1.03 0.16 -0.16 2.02 -0.41 -0.31 112.91 115.88 1iwa h THR 348 Ca 0.17 -0.28 -0.29 0.00 0.77 0.00 0.00 66.41 66.78 1iwa h THR 348 Cb 0.00 0.13 0.01 0.00 -1.74 0.00 0.00 68.15 66.56 1iwa h THR 348 CO -0.03 0.15 -1.32 -0.07 0.37 0.00 0.00 175.52 174.62 1iwa h LEU 349 N 0.82 0.52 0.02 2.58 3.38 -0.81 -3.41 115.31 118.40 1iwa h LEU 349 Ca 0.34 -0.56 -0.40 0.00 0.09 0.00 0.00 57.88 57.35 1iwa h LEU 349 Cb 0.26 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1iwa h LEU 349 CO -0.12 1.44 -2.39 0.18 0.09 0.00 0.00 178.44 177.64 1iwa n LEU 350 N -3.57 2.72 -4.76 1.67 7.99 -0.13 -1.42 117.00 119.49 1iwa n LEU 350 Ca -0.11 0.01 -0.37 0.00 -0.01 0.00 0.00 56.01 55.53 1iwa n LEU 350 Cb 1.04 -0.92 0.02 0.00 -0.11 0.00 0.00 43.42 43.45 1iwa n LEU 350 CO 0.55 0.84 0.90 -0.76 -1.51 0.00 0.00 177.39 177.41 1iwa s LEU 351 N -6.81 3.89 0.00 2.23 1.02 -0.14 -4.82 118.68 114.05 1iwa s LEU 351 Ca -0.34 2.51 0.19 0.00 0.02 0.00 0.00 54.13 56.51 1iwa s LEU 351 Cb 0.10 -4.31 0.73 0.00 0.02 0.00 0.00 46.19 42.73 1iwa s LEU 351 CO 0.60 -1.29 1.52 -0.81 0.02 0.00 0.00 176.35 176.39 1iwa n PRO 352 N -0.88 1.63 -3.36 1.29 -0.04 -1.26 -4.77 135.00 127.62 1iwa n PRO 352 Ca 0.10 -0.96 0.02 0.00 -0.04 0.00 0.00 63.50 62.62 1iwa n PRO 352 Cb 0.47 -1.36 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 1iwa n PRO 352 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1iwa s LYS 353 N -1.79 0.25 0.05 0.54 2.20 -1.26 -2.85 119.74 116.88 1iwa s LYS 353 Ca 0.30 0.63 -0.19 0.00 -0.36 0.00 0.00 55.97 56.35 1iwa s LYS 353 Cb 0.16 0.38 -0.06 0.00 -1.51 0.00 0.00 37.83 36.79 1iwa s LYS 353 CO 0.24 -0.10 0.55 -0.51 -0.36 0.00 0.00 175.35 175.18 1iwa s LEU 354 N 2.42 4.51 -0.16 5.43 1.02 0.73 -4.92 118.68 127.70 1iwa s LEU 354 Ca -0.02 1.21 -0.01 0.00 0.02 0.00 0.00 54.13 55.33 1iwa s LEU 354 Cb -0.06 -2.87 -0.01 0.00 0.02 0.00 0.00 46.19 43.28 1iwa s LEU 354 CO -0.17 0.26 -0.10 -1.61 0.02 0.00 0.00 176.35 174.74 1iwa s GLU 355 N -0.97 3.37 0.13 1.70 0.41 -1.26 -0.61 118.70 121.46 1iwa s GLU 355 Ca 0.29 -0.67 -0.34 0.00 -0.41 0.00 0.00 54.97 53.84 1iwa s GLU 355 Cb -0.19 -2.76 -0.17 0.00 -1.78 0.00 0.00 34.13 29.23 1iwa s GLU 355 CO 0.18 0.06 1.02 -2.13 -0.49 0.00 0.00 175.26 173.89 1iwa n ARG 356 N 4.00 0.60 -3.24 1.61 0.63 -1.25 -4.89 116.66 114.11 1iwa n ARG 356 Ca -0.18 0.21 -0.03 0.00 -0.92 0.00 0.00 57.85 56.93 1iwa n ARG 356 Cb 0.52 -1.62 -0.03 0.00 0.45 0.00 0.00 32.46 31.78 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 -0.18 -0.86 0.40 6.15 3.84 0.15 -5.01 114.94 119.42 1iwa s ASN 357 Ca 0.77 -0.70 0.20 0.00 0.21 0.00 0.00 52.86 53.33 1iwa s ASN 357 Cb -0.99 1.63 1.14 0.00 -0.55 0.00 0.00 41.25 42.48 1iwa s ASN 357 CO 0.54 -0.23 1.74 -0.07 -2.79 0.00 0.00 177.10 176.29 1iwa h LEU 358 N 7.32 0.43 -1.09 3.21 -0.00 -1.91 0.31 115.31 123.58 1iwa h LEU 358 Ca 0.02 0.10 -0.09 0.00 -0.00 0.00 0.00 57.88 57.91 1iwa h LEU 358 Cb 1.15 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.83 1iwa h LEU 358 CO 0.14 0.04 -0.40 1.56 -0.00 0.00 0.00 178.44 179.78 1iwa h GLN 359 N 0.35 0.09 0.00 1.13 4.20 -1.93 -2.75 115.11 116.21 1iwa h GLN 359 Ca 0.64 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.30 1iwa h GLN 359 Cb 1.66 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.43 1iwa h GLN 359 CO -0.34 0.49 -0.62 0.93 -0.67 0.00 0.00 178.83 178.62 1iwa h GLU 360 N 0.08 0.00 0.00 1.46 5.08 -1.21 -3.41 114.58 116.58 1iwa h GLU 360 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1iwa h GLU 360 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1iwa h GLU 360 CO 0.06 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.48 1iwa n GLY 361 N 1.25 0.84 3.45 -3.84 0.00 -0.67 -4.52 105.19 101.70 1iwa n GLY 361 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 4.64 0.08 0.99 1.02 -1.05 -4.78 118.68 119.59 1iwa s LEU 362 Ca 0.00 -0.92 0.26 0.00 0.02 0.00 0.00 54.13 53.49 1iwa s LEU 362 Cb 0.00 -2.49 0.65 0.00 0.02 0.00 0.00 46.19 44.37 1iwa s LEU 362 CO 0.00 -1.21 1.55 0.49 0.02 0.00 0.00 176.35 177.20 1iwa n PHE 363 N 7.05 0.37 -4.60 0.29 3.01 -1.26 0.33 117.46 122.65 1iwa n PHE 363 Ca -0.04 0.11 -0.24 0.00 1.01 0.00 0.00 57.45 58.28 1iwa n PHE 363 Cb 0.45 -0.57 -0.14 0.00 -0.01 0.00 0.00 39.48 39.21 1iwa n PHE 363 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1iwa s PHE 364 N -3.08 1.64 0.35 1.38 0.08 -1.26 -4.89 117.98 112.19 1iwa s PHE 364 Ca 0.10 -0.36 -0.25 0.00 0.12 0.00 0.00 56.93 56.54 1iwa s PHE 364 Cb 0.15 -0.98 -0.10 0.00 -0.57 0.00 0.00 43.02 41.52 1iwa s PHE 364 CO 0.65 0.06 0.96 -0.51 -0.10 0.00 0.00 175.22 176.29 1iwa s ASP 365 N -1.06 7.20 -0.19 1.36 -0.00 -1.26 -3.90 116.67 118.82 1iwa s ASP 365 Ca 0.06 1.84 -0.08 0.00 -0.00 0.00 0.00 52.55 54.37 1iwa s ASP 365 Cb -0.08 -2.57 0.08 0.00 -0.00 0.00 0.00 42.92 40.35 1iwa s ASP 365 CO 0.01 -0.17 0.42 -0.32 -0.00 0.00 0.00 175.17 175.12 1iwa s MET 366 N -2.31 0.35 0.14 8.23 1.75 0.22 -4.94 119.30 122.75 1iwa s MET 366 Ca 0.53 0.97 -0.30 0.00 -1.25 0.00 0.00 55.69 55.65 1iwa s MET 366 Cb -0.17 0.23 -0.07 0.00 2.84 0.00 0.00 34.83 37.66 1iwa s MET 366 CO 0.22 -0.22 0.98 -1.21 -0.65 0.00 0.00 175.02 174.14 1iwa s GLU 367 N 2.26 4.72 0.00 4.11 0.41 -1.26 -0.19 118.70 128.74 1iwa s GLU 367 Ca -0.04 1.49 0.19 0.00 -0.41 0.00 0.00 54.97 56.20 1iwa s GLU 367 Cb -0.11 -3.35 0.64 0.00 -1.78 0.00 0.00 34.13 29.53 1iwa s GLU 367 CO -0.13 0.25 1.48 0.91 -0.49 0.00 0.00 175.26 177.28 1iwa n TRP 368 N 2.48 0.30 -2.78 1.61 7.02 -1.13 -4.76 117.44 120.17 1iwa n TRP 368 Ca 0.02 -0.15 -0.18 0.00 -1.02 0.00 0.00 57.50 56.16 1iwa n TRP 368 Cb 0.48 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 1iwa n TRP 368 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1iwa n ALA 369 N 0.47 -0.87 -0.91 6.99 0.00 -1.26 -1.92 120.51 123.01 1iwa n ALA 369 Ca 0.16 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1iwa n ALA 369 Cb 0.35 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.38 1iwa n ALA 369 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1iwa n SER 370 N -2.11 -3.15 -4.76 0.00 7.64 -1.26 -4.88 113.62 105.11 1iwa n SER 370 Ca -0.12 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.36 1iwa n SER 370 Cb 0.61 -1.87 0.03 0.00 -1.01 0.00 0.00 64.21 61.96 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 0.00 4.02 0.91 -3.43 1.43 -0.81 -4.93 118.68 115.88 1iwa s LEU 371 Ca 0.00 2.91 -0.11 0.00 -1.03 0.00 0.00 54.13 55.89 1iwa s LEU 371 Cb 0.00 -4.04 0.11 0.00 0.03 0.00 0.00 46.19 42.29 1iwa s LEU 371 CO 0.00 -1.34 0.92 0.54 0.23 0.00 0.00 176.35 176.70 1iwa n ARG 372 N -0.49 -0.34 -3.08 1.70 1.74 -1.26 -4.97 116.66 109.97 1iwa n ARG 372 Ca 0.07 -0.04 -0.37 0.00 -0.77 0.00 0.00 57.85 56.74 1iwa n ARG 372 Cb 0.43 -2.22 -0.06 0.00 -1.02 0.00 0.00 32.46 29.59 1iwa n ARG 372 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1iwa s LYS 373 N -4.25 4.35 -0.05 5.56 1.02 -1.26 -4.29 119.74 120.81 1iwa s LYS 373 Ca 0.65 0.95 -0.08 0.00 0.02 0.00 0.00 55.97 57.50 1iwa s LYS 373 Cb -0.23 -3.04 -0.05 0.00 -0.52 0.00 0.00 37.83 33.99 1iwa s LYS 373 CO 0.60 0.48 0.23 0.08 -0.92 0.00 0.00 175.35 175.82 1iwa s VAL 374 N -1.36 5.35 -0.48 3.17 1.01 -0.51 -1.68 120.40 125.90 1iwa s VAL 374 Ca 0.39 0.31 -0.23 0.00 0.00 0.00 0.00 61.98 62.45 1iwa s VAL 374 Cb -0.19 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1iwa s VAL 374 CO 0.22 0.52 0.82 -0.32 0.00 0.00 0.00 175.10 176.34 1iwa s MET 375 N -1.29 3.37 0.68 2.72 1.75 0.42 -4.31 119.30 122.65 1iwa s MET 375 Ca 0.21 -0.20 -0.16 0.00 -1.25 0.00 0.00 55.69 54.30 1iwa s MET 375 Cb -0.13 -3.98 0.01 0.00 2.84 0.00 0.00 34.83 33.57 1iwa s MET 375 CO 0.10 -1.22 1.17 -1.25 -0.65 0.00 0.00 175.02 173.17 1iwa s PRO 376 N 3.41 2.51 -0.09 4.11 0.04 -1.26 -2.18 135.00 141.55 1iwa s PRO 376 Ca 0.29 1.62 0.01 0.00 0.04 0.00 0.00 61.00 62.97 1iwa s PRO 376 Cb -0.13 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1iwa s PRO 376 CO 0.21 -1.52 -0.11 0.08 0.04 0.00 0.00 177.00 175.70 1iwa s VAL 377 N -2.07 1.18 -0.25 -0.36 1.01 -0.19 -1.27 120.40 118.45 1iwa s VAL 377 Ca 0.72 -0.45 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 1iwa s VAL 377 Cb -0.26 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 1iwa s VAL 377 CO 0.42 0.38 0.15 0.00 0.00 0.00 0.00 175.10 176.04 1iwa s ALA 378 N 1.06 3.49 -0.12 5.51 0.00 0.72 -1.61 121.76 130.81 1iwa s ALA 378 Ca -0.07 -0.98 -0.19 0.00 0.00 0.00 0.00 51.96 50.72 1iwa s ALA 378 Cb -0.15 -2.30 0.05 0.00 0.00 0.00 0.00 23.12 20.72 1iwa s ALA 378 CO -0.01 -0.33 0.49 0.45 0.00 0.00 0.00 175.76 176.36 1iwa s SER 379 N 1.33 -0.47 0.00 0.00 0.15 -1.26 0.15 113.70 113.59 1iwa s SER 379 Ca 0.07 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.46 1iwa s SER 379 Cb -0.15 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1iwa s SER 379 CO 0.06 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1iwa n GLY 380 N 2.11 1.53 2.28 9.45 0.00 -1.26 -4.63 105.19 114.67 1iwa n GLY 380 Ca -0.16 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.13 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 0.01 0.85 3.92 -0.02 0.00 -1.26 -0.24 105.19 108.45 1iwa n GLY 381 Ca 0.00 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.14 5.19 0.11 -0.61 -4.36 -1.26 -4.33 121.20 113.80 1iwa s ILE 382 Ca 0.00 -0.33 -0.12 0.00 -0.26 0.00 0.00 60.65 59.94 1iwa s ILE 382 Cb 0.00 -3.73 0.01 0.00 1.25 0.00 0.00 42.46 39.99 1iwa s ILE 382 CO 0.00 -0.18 0.29 -1.38 0.24 0.00 0.00 174.94 173.91 1iwa s HIS 383 N -1.88 0.01 0.30 1.37 -3.43 -1.26 -4.60 115.29 105.80 1iwa s HIS 383 Ca 0.39 -0.39 -0.30 0.00 -0.80 0.00 0.00 55.06 53.96 1iwa s HIS 383 Cb -0.11 0.09 -0.12 0.00 -1.43 0.00 0.00 32.58 31.01 1iwa s HIS 383 CO 0.29 -0.63 1.59 0.00 -2.00 0.00 0.00 174.74 173.99 1iwa n ALA 384 N -0.15 2.56 0.00 -1.38 0.00 -1.26 -2.15 120.51 118.13 1iwa n ALA 384 Ca -0.15 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1iwa n ALA 384 Cb 0.63 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 2.05 1.90 0.30 0.00 0.00 -1.26 -4.77 105.19 103.42 1iwa n GLY 385 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.15 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 1.46 -0.31 1.61 6.02 -0.92 -4.73 117.38 120.51 1iwa n GLN 386 Ca 0.00 -0.80 0.05 0.00 -0.01 0.00 0.00 57.00 56.23 1iwa n GLN 386 Cb 0.00 -1.13 0.13 0.00 1.02 0.00 0.00 30.24 30.26 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 1.48 0.01 -0.87 -1.09 4.05 -1.88 0.30 114.93 116.92 1iwa h MET 387 Ca 0.00 -0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.52 1iwa h MET 387 Cb 0.38 -0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 31.10 1iwa h MET 387 CO 0.00 0.00 0.50 1.12 0.23 0.00 0.00 176.91 178.77 1iwa h HIS 388 N 0.01 0.91 -0.09 1.39 -0.00 -1.88 0.17 115.15 115.66 1iwa h HIS 388 Ca 0.43 0.03 -0.21 0.00 -0.00 0.00 0.00 60.37 60.62 1iwa h HIS 388 Cb 0.69 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.82 1iwa h HIS 388 CO -0.66 0.36 -0.80 1.96 -0.00 0.00 0.00 177.93 178.79 1iwa h GLN 389 N 0.82 0.60 -0.09 5.12 4.20 -1.02 -1.84 115.11 122.90 1iwa h GLN 389 Ca 0.42 -0.52 0.02 0.00 0.06 0.00 0.00 58.65 58.64 1iwa h GLN 389 Cb 0.41 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1iwa h GLN 389 CO -0.26 1.14 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.95 1iwa h LEU 390 N 0.39 -0.07 -0.13 1.46 3.38 0.74 0.16 115.31 121.24 1iwa h LEU 390 Ca -0.05 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1iwa h LEU 390 Cb 1.42 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 1iwa h LEU 390 CO 0.15 -0.02 0.00 0.40 0.09 0.00 0.00 178.44 179.06 1iwa h ILE 391 N 0.01 1.25 -0.24 1.22 1.08 -0.76 0.14 117.51 120.21 1iwa h ILE 391 Ca 0.04 -0.82 0.06 0.00 -0.39 0.00 0.00 64.86 63.76 1iwa h ILE 391 Cb 0.06 1.53 -0.07 0.00 -3.07 0.00 0.00 36.82 35.28 1iwa h ILE 391 CO -0.09 0.24 -0.25 -0.74 -0.69 0.00 0.00 178.15 176.63 1iwa h HIS 392 N -0.03 -0.65 0.07 1.37 2.76 -1.04 0.18 115.15 117.81 1iwa h HIS 392 Ca 0.04 0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.16 1iwa h HIS 392 Cb 0.36 0.32 0.01 0.00 1.55 0.00 0.00 27.41 29.66 1iwa h HIS 392 CO 0.03 -0.32 -0.39 1.88 -1.30 0.00 0.00 177.93 177.83 1iwa h TYR 393 N -0.25 0.27 0.00 5.26 0.05 -0.72 -3.39 116.97 118.19 1iwa h TYR 393 Ca 0.14 -0.19 -0.14 0.00 0.05 0.00 0.00 58.73 58.58 1iwa h TYR 393 Cb 0.46 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 1iwa h TYR 393 CO -0.40 1.15 -0.91 -0.07 -1.05 0.00 0.00 178.16 176.88 1iwa h LEU 394 N -0.69 0.00 0.00 3.88 3.38 -0.73 -3.47 115.31 117.68 1iwa h LEU 394 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1iwa h LEU 394 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1iwa h LEU 394 CO 0.07 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.80 1iwa n GLY 395 N 1.31 -2.21 0.10 0.83 0.00 0.64 -4.65 105.19 101.20 1iwa n GLY 395 Ca -0.03 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.23 1iwa n GLY 395 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1iwa h GLU 396 N 0.00 0.21 -5.30 1.61 4.81 -1.94 -3.41 114.58 110.55 1iwa h GLU 396 Ca 0.00 -0.22 -0.66 0.00 -0.13 0.00 0.00 59.36 58.35 1iwa h GLU 396 Cb 0.00 0.06 -0.16 0.00 0.63 0.00 0.00 28.75 29.29 1iwa h GLU 396 CO 0.00 0.95 0.94 -0.51 -0.73 0.00 0.00 179.01 179.66 1iwa s ASP 397 N -6.38 6.55 -0.06 1.04 1.01 -1.26 -2.58 116.67 115.00 1iwa s ASP 397 Ca -0.15 -1.80 -0.29 0.00 0.71 0.00 0.00 52.55 51.01 1iwa s ASP 397 Cb 0.01 -2.44 0.11 0.00 1.01 0.00 0.00 42.92 41.61 1iwa s ASP 397 CO 0.75 -1.20 0.90 0.54 0.21 0.00 0.00 175.17 176.38 1iwa s VAL 398 N 3.32 0.00 -0.31 -1.27 0.11 -1.26 -4.36 120.40 116.63 1iwa s VAL 398 Ca 0.34 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.32 1iwa s VAL 398 Cb -0.05 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1iwa s VAL 398 CO -0.07 0.00 0.11 -0.69 -3.33 0.00 0.00 175.10 171.11 1iwa s VAL 399 N -2.24 4.14 -0.32 2.04 1.01 -0.39 -1.33 120.40 123.31 1iwa s VAL 399 Ca 0.01 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 1iwa s VAL 399 Cb -0.01 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1iwa s VAL 399 CO -0.04 0.05 0.80 -0.76 0.00 0.00 0.00 175.10 175.15 1iwa s LEU 400 N 1.52 4.09 -0.30 3.92 1.02 0.11 -0.20 118.68 128.84 1iwa s LEU 400 Ca 0.03 0.62 -0.05 0.00 0.02 0.00 0.00 54.13 54.74 1iwa s LEU 400 Cb -0.17 -3.09 0.02 0.00 0.02 0.00 0.00 46.19 42.97 1iwa s LEU 400 CO 0.04 -0.65 0.06 -1.10 0.02 0.00 0.00 176.35 174.71 1iwa s GLN 401 N 3.02 2.86 -0.35 1.70 -0.21 0.12 0.30 119.66 127.10 1iwa s GLN 401 Ca 0.33 -1.00 -0.09 0.00 0.02 0.00 0.00 55.36 54.61 1iwa s GLN 401 Cb -0.14 -3.31 0.02 0.00 1.00 0.00 0.00 33.01 30.58 1iwa s GLN 401 CO 0.14 -0.51 0.17 -0.06 -2.12 0.00 0.00 175.29 172.90 1iwa s PHE 402 N 1.42 3.23 0.00 0.91 0.40 0.31 -4.07 117.98 120.17 1iwa s PHE 402 Ca 0.00 -0.99 0.00 0.00 -0.60 0.00 0.00 56.93 55.35 1iwa s PHE 402 Cb -0.18 -2.38 0.00 0.00 0.51 0.00 0.00 43.02 40.97 1iwa s PHE 402 CO 0.01 -0.62 0.00 0.41 0.70 0.00 0.00 175.22 175.72 1iwa n GLY 403 N 4.95 1.18 0.26 4.36 0.00 -1.26 -4.08 105.19 110.60 1iwa n GLY 403 Ca -0.12 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.07 1iwa n GLY 403 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iwa h GLY 404 N 0.00 0.00 0.74 -0.02 0.00 -1.94 -0.24 103.07 101.61 1iwa h GLY 404 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iwa h GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1iwa n GLY 405 N -0.80 -0.54 1.44 4.60 0.00 -1.26 -1.19 105.19 107.43 1iwa n GLY 405 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1iwa n GLY 405 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iwa n THR 406 N -0.87 0.43 0.21 2.61 -1.04 -0.14 -4.79 114.28 110.69 1iwa n THR 406 Ca 0.10 0.14 0.11 0.00 -2.04 0.00 0.00 64.05 62.36 1iwa n THR 406 Cb 0.04 -0.91 0.55 0.00 -1.82 0.00 0.00 70.33 68.20 1iwa n THR 406 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1iwa n ILE 407 N -3.10 1.02 1.32 12.58 5.41 -0.97 -1.71 119.36 133.91 1iwa n ILE 407 Ca 0.00 0.62 0.14 0.00 1.00 0.00 0.00 62.75 64.50 1iwa n ILE 407 Cb 0.00 -1.60 0.51 0.00 -0.71 0.00 0.00 39.64 37.84 1iwa n ILE 407 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1iwa n GLY 408 N -1.01 -0.84 3.75 7.39 0.00 -0.33 -4.79 105.19 109.36 1iwa n GLY 408 Ca -0.01 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.52 2.94 -0.16 1.61 5.04 -0.69 -4.91 115.29 116.59 1iwa s HIS 409 Ca 0.26 1.06 0.28 0.00 -1.54 0.00 0.00 55.06 55.13 1iwa s HIS 409 Cb 0.20 -3.86 1.25 0.00 0.04 0.00 0.00 32.58 30.21 1iwa s HIS 409 CO 0.50 -2.72 1.85 -1.00 -2.34 0.00 0.00 174.74 171.03 1iwa h PRO 410 N 4.54 0.00 -0.68 2.88 0.13 -1.91 -3.05 132.00 133.91 1iwa h PRO 410 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1iwa h PRO 410 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1iwa h PRO 410 CO 0.75 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.27 1iwa n ASP 411 N -2.59 3.84 0.00 1.44 10.43 -1.26 -5.05 116.55 123.37 1iwa n ASP 411 Ca 0.01 -2.09 0.00 0.00 2.57 0.00 0.00 54.79 55.28 1iwa n ASP 411 Cb 0.22 -0.48 0.00 0.00 1.84 0.00 0.00 41.12 42.70 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 1.49 2.33 0.28 0.44 0.00 -1.15 -4.53 105.19 104.03 1iwa n GLY 412 Ca 0.23 -2.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 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 1.27 -0.79 -0.61 2.04 -1.83 -2.47 117.51 115.12 1iwa h ILE 413 Ca 0.00 -1.30 -0.03 0.00 1.00 0.00 0.00 64.86 64.53 1iwa h ILE 413 Cb 0.00 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1iwa h ILE 413 CO 0.00 0.44 0.39 1.56 0.00 0.00 0.00 178.15 180.54 1iwa h GLN 414 N 0.76 1.12 0.06 2.37 4.20 -1.89 -1.77 115.11 119.97 1iwa h GLN 414 Ca 0.11 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1iwa h GLN 414 Cb 0.71 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 1iwa h GLN 414 CO 0.05 0.85 -0.04 0.00 -0.67 0.00 0.00 178.83 179.02 1iwa h ALA 415 N 1.32 -0.10 -0.83 3.87 0.00 -1.73 -1.81 119.26 119.99 1iwa h ALA 415 Ca 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1iwa h ALA 415 Cb 0.09 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1iwa h ALA 415 CO -0.04 -0.56 0.39 0.78 0.00 0.00 0.00 179.25 179.83 1iwa h GLY 416 N -0.11 1.27 0.95 0.00 0.00 -1.22 -2.38 103.07 101.59 1iwa h GLY 416 Ca -0.00 -0.63 0.01 0.00 0.00 0.00 0.00 47.33 46.70 1iwa h GLY 416 CO 0.00 0.60 0.11 0.00 0.00 0.00 0.00 176.54 177.25 1iwa h ALA 417 N 1.25 0.24 -0.56 3.60 0.00 -1.12 -2.89 119.26 119.78 1iwa h ALA 417 Ca 0.28 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1iwa h ALA 417 Cb 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1iwa h ALA 417 CO -0.04 -0.30 0.37 1.15 0.00 0.00 0.00 179.25 180.43 1iwa h THR 418 N 0.23 1.14 -0.53 0.00 2.02 -0.43 -1.75 112.91 113.59 1iwa h THR 418 Ca 0.08 -0.26 0.09 0.00 0.77 0.00 0.00 66.41 67.09 1iwa h THR 418 Cb -0.00 0.32 -0.07 0.00 -1.74 0.00 0.00 68.15 66.66 1iwa h THR 418 CO -0.04 0.14 0.13 0.00 0.37 0.00 0.00 175.52 176.12 1iwa h ALA 419 N 1.20 0.62 -0.41 6.16 0.00 -1.28 0.22 119.26 125.78 1iwa h ALA 419 Ca 0.20 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1iwa h ALA 419 Cb -0.09 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1iwa h ALA 419 CO -0.04 -0.29 0.04 -0.91 0.00 0.00 0.00 179.25 178.05 1iwa h ASN 420 N 0.27 0.67 -0.28 0.00 2.35 -1.29 0.54 115.58 117.83 1iwa h ASN 420 Ca 0.27 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1iwa h ASN 420 Cb 0.36 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1iwa h ASN 420 CO -0.33 0.78 0.14 -0.09 -1.65 0.00 0.00 177.43 176.28 1iwa h ARG 421 N 0.53 0.40 -0.10 0.81 9.65 -0.66 0.16 114.38 125.17 1iwa h ARG 421 Ca 0.12 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1iwa h ARG 421 Cb 0.41 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.92 1iwa h ARG 421 CO 0.01 0.37 0.03 0.28 2.80 0.00 0.00 179.97 183.46 1iwa h VAL 422 N 0.32 1.19 -0.42 0.20 2.07 -0.51 -1.82 116.25 117.29 1iwa h VAL 422 Ca 0.10 -0.60 0.07 0.00 0.82 0.00 0.00 66.70 67.09 1iwa h VAL 422 Cb 0.10 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 1iwa h VAL 422 CO -0.01 0.17 0.08 0.00 0.02 0.00 0.00 177.57 177.83 1iwa h ALA 423 N 0.82 0.45 0.45 1.67 0.00 -0.78 0.05 119.26 121.92 1iwa h ALA 423 Ca 0.03 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1iwa h ALA 423 Cb 0.25 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1iwa h ALA 423 CO 0.00 -0.32 -0.46 1.25 0.00 0.00 0.00 179.25 179.72 1iwa h LEU 424 N 0.21 -1.25 -1.59 0.00 5.85 -0.81 -1.71 115.31 116.00 1iwa h LEU 424 Ca 0.20 0.10 0.08 0.00 0.84 0.00 0.00 57.88 59.10 1iwa h LEU 424 Cb 0.25 0.41 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1iwa h LEU 424 CO -0.27 -0.60 0.39 -0.33 -0.34 0.00 0.00 178.44 177.29 1iwa h GLU 425 N -0.90 0.47 -0.32 1.25 5.08 -1.10 -1.07 114.58 117.99 1iwa h GLU 425 Ca -0.06 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 1iwa h GLU 425 Cb 0.79 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1iwa h GLU 425 CO -0.06 0.31 -0.39 0.00 -1.00 0.00 0.00 179.01 177.87 1iwa h ALA 426 N 1.69 0.72 -0.32 3.43 0.00 -0.78 -1.36 119.26 122.64 1iwa h ALA 426 Ca 0.26 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 1iwa h ALA 426 Cb 0.41 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1iwa h ALA 426 CO -0.08 0.66 -0.47 1.98 0.00 0.00 0.00 179.25 181.35 1iwa h MET 427 N 0.62 0.85 0.00 0.00 1.85 -0.29 -1.40 114.93 116.56 1iwa h MET 427 Ca 0.05 -0.49 -0.05 0.00 -0.61 0.00 0.00 59.70 58.60 1iwa h MET 427 Cb 0.94 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.00 1iwa h MET 427 CO 0.09 1.13 -0.25 -0.84 -0.40 0.00 0.00 176.91 176.64 1iwa h ILE 428 N 0.68 0.43 -0.21 1.77 -0.00 -1.32 -1.07 117.51 117.78 1iwa h ILE 428 Ca 0.04 -1.60 -0.06 0.00 -0.00 0.00 0.00 64.86 63.23 1iwa h ILE 428 Cb 1.06 2.21 -0.01 0.00 -0.00 0.00 0.00 36.82 40.08 1iwa h ILE 428 CO 0.11 0.24 -0.12 0.25 -0.00 0.00 0.00 178.15 178.63 1iwa h LEU 429 N 0.00 0.47 -1.15 0.16 7.12 -1.10 -0.56 115.31 120.26 1iwa h LEU 429 Ca -0.00 -0.42 -0.08 0.00 0.13 0.00 0.00 57.88 57.51 1iwa h LEU 429 Cb 1.19 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 41.17 1iwa h LEU 429 CO 0.03 0.79 -0.26 0.00 -0.13 0.00 0.00 178.44 178.88 1iwa h ALA 430 N 0.70 1.29 0.60 1.25 0.00 -1.17 -2.54 119.26 119.38 1iwa h ALA 430 Ca 0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1iwa h ALA 430 Cb 0.62 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1iwa h ALA 430 CO 0.03 0.48 -0.29 -0.09 0.00 0.00 0.00 179.25 179.39 1iwa h ARG 431 N 0.24 -0.77 -0.75 0.00 2.43 -0.84 -2.63 114.38 112.07 1iwa h ARG 431 Ca 0.04 0.05 0.21 0.00 -0.81 0.00 0.00 59.98 59.47 1iwa h ARG 431 Cb 0.59 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 1iwa h ARG 431 CO 0.04 -0.47 0.53 -0.91 -1.51 0.00 0.00 179.97 177.65 1iwa h ASN 432 N -0.96 0.05 0.00 -3.80 4.21 -1.01 0.37 115.58 114.44 1iwa h ASN 432 Ca -0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.43 1iwa h ASN 432 Cb 0.66 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.86 1iwa h ASN 432 CO 0.13 0.02 0.00 -0.62 -1.29 0.00 0.00 177.43 175.68 1iwa n GLU 433 N -4.34 0.77 -2.05 0.81 1.02 -0.97 -4.86 120.64 111.02 1iwa n GLU 433 Ca 0.15 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.18 1iwa n GLU 433 Cb 0.78 -1.33 -0.01 0.00 -0.02 0.00 0.00 31.44 30.86 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 -0.83 -3.71 -4.83 1.62 2.85 0.13 -5.01 115.26 105.48 1iwa n ASN 434 Ca 0.12 0.04 -0.37 0.00 -0.11 0.00 0.00 54.58 54.26 1iwa n ASN 434 Cb 0.06 -2.81 -0.06 0.00 1.24 0.00 0.00 39.78 38.21 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 -4.25 4.11 -0.83 1.20 0.52 -1.02 -4.93 118.95 113.74 1iwa s ARG 435 Ca 0.00 0.65 -0.21 0.00 -0.52 0.00 0.00 55.73 55.65 1iwa s ARG 435 Cb 0.00 -3.04 -0.14 0.00 0.52 0.00 0.00 34.95 32.29 1iwa s ARG 435 CO 0.00 0.53 1.96 -3.47 0.02 0.00 0.00 175.30 174.34 1iwa n ASP 436 N 1.13 2.70 0.28 0.23 4.64 -1.26 -4.65 116.55 119.62 1iwa n ASP 436 Ca -0.07 -2.68 0.18 0.00 -1.38 0.00 0.00 54.79 50.84 1iwa n ASP 436 Cb 0.51 -1.16 0.99 0.00 -1.04 0.00 0.00 41.12 40.42 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 7.68 0.00 -0.27 -0.67 -0.00 -1.92 -0.65 116.97 121.15 1iwa h TYR 437 Ca 0.44 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 59.00 1iwa h TYR 437 Cb 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.38 1iwa h TYR 437 CO 1.28 0.00 -0.52 1.25 -0.00 0.00 0.00 178.16 180.17 1iwa h LEU 438 N 0.00 0.86 0.00 0.10 6.46 -1.85 0.52 115.31 121.40 1iwa h LEU 438 Ca 0.00 -0.45 -0.04 0.00 -0.12 0.00 0.00 57.88 57.28 1iwa h LEU 438 Cb 0.05 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 39.73 1iwa h LEU 438 CO 0.00 1.22 -0.19 0.74 -0.62 0.00 0.00 178.44 179.59 1iwa h THR 439 N 0.61 1.67 0.00 1.05 2.02 -1.66 -3.31 112.91 113.28 1iwa h THR 439 Ca 0.02 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 64.87 1iwa h THR 439 Cb 1.10 3.23 0.00 0.00 -1.74 0.00 0.00 68.15 70.74 1iwa h THR 439 CO 0.11 0.57 0.00 -0.62 0.37 0.00 0.00 175.52 175.95 1iwa n GLU 440 N -4.58 0.76 -0.33 6.66 1.02 -0.36 -4.39 120.64 119.42 1iwa n GLU 440 Ca -0.13 0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 56.93 1iwa n GLU 440 Cb 0.51 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.36 1iwa n GLU 440 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iwa n GLY 441 N 0.81 -2.66 0.38 0.62 0.00 0.18 -1.06 105.19 103.47 1iwa n GLY 441 Ca 0.19 1.05 0.15 0.00 0.00 0.00 0.00 46.02 47.42 1iwa n GLY 441 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1iwa h PRO 442 N 0.00 0.36 -0.04 1.61 0.11 -1.84 -2.50 132.00 129.71 1iwa h PRO 442 Ca 0.13 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.16 1iwa h PRO 442 Cb 0.32 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1iwa h PRO 442 CO -0.74 0.24 -0.20 0.93 -0.21 0.00 0.00 178.00 178.02 1iwa h GLU 443 N 0.38 0.20 -0.93 1.05 4.39 -1.41 -2.17 114.58 116.08 1iwa h GLU 443 Ca 0.35 -0.16 0.17 0.00 0.34 0.00 0.00 59.36 60.05 1iwa h GLU 443 Cb 0.83 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.41 1iwa h GLU 443 CO -0.10 0.82 0.53 0.82 -1.16 0.00 0.00 179.01 179.92 1iwa h ILE 444 N -0.37 0.71 -0.23 3.13 2.04 -0.77 0.42 117.51 122.43 1iwa h ILE 444 Ca -0.01 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 1iwa h ILE 444 Cb 0.86 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1iwa h ILE 444 CO 0.04 0.13 -0.18 -0.07 0.00 0.00 0.00 178.15 178.07 1iwa h LEU 445 N 0.70 0.56 -1.01 1.44 3.38 -1.48 -1.71 115.31 117.19 1iwa h LEU 445 Ca 0.53 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1iwa h LEU 445 Cb 0.79 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1iwa h LEU 445 CO -0.38 0.89 0.54 0.03 0.09 0.00 0.00 178.44 179.62 1iwa h ARG 446 N 0.24 1.22 0.68 1.13 -0.00 -0.38 -1.07 114.38 116.20 1iwa h ARG 446 Ca 0.04 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.98 59.38 1iwa h ARG 446 Cb 0.71 -0.26 0.01 0.00 0.00 0.00 0.00 29.97 30.43 1iwa h ARG 446 CO 0.05 0.85 -0.33 1.49 0.00 0.00 0.00 179.97 182.03 1iwa h GLU 447 N 1.24 -0.88 -0.55 0.04 4.57 -0.15 -2.78 114.58 116.07 1iwa h GLU 447 Ca 0.32 0.06 0.16 0.00 -1.18 0.00 0.00 59.36 58.72 1iwa h GLU 447 Cb -0.06 0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1iwa h GLU 447 CO -0.06 -0.55 0.40 0.00 -1.18 0.00 0.00 179.01 177.61 1iwa h ALA 448 N -0.96 2.52 0.00 2.92 0.00 -1.23 0.33 119.26 122.84 1iwa h ALA 448 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1iwa h ALA 448 Cb 0.73 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1iwa h ALA 448 CO 0.15 -0.68 0.00 0.00 0.00 0.00 0.00 179.25 178.72 1iwa n ALA 449 N -2.65 1.63 0.26 0.00 0.00 -0.41 -1.86 120.51 117.49 1iwa n ALA 449 Ca 0.10 0.02 0.16 0.00 0.00 0.00 0.00 53.44 53.72 1iwa n ALA 449 Cb 0.63 -1.30 0.58 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.23 -3.21 116.57 114.70 1iwa h LYS 450 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1iwa h LYS 450 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1iwa h LYS 450 CO 0.00 0.03 -2.06 2.41 -0.57 0.00 0.00 179.45 179.26 1iwa n THR 451 N -3.12 0.50 -3.88 -0.16 -1.04 -0.78 -4.92 114.28 100.89 1iwa n THR 451 Ca 0.01 -0.59 -0.29 0.00 -2.04 0.00 0.00 64.05 61.15 1iwa n THR 451 Cb 0.36 -0.17 -0.16 0.00 -1.82 0.00 0.00 70.33 68.53 1iwa n THR 451 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iwa h GLY 453 N 8.10 0.68 0.29 0.00 0.00 -1.91 -2.51 103.07 107.71 1iwa h GLY 453 Ca -0.22 -0.23 0.07 0.00 0.00 0.00 0.00 47.33 46.95 1iwa h GLY 453 CO 0.40 0.20 -0.10 0.00 0.00 0.00 0.00 176.54 177.04 1iwa h ALA 454 N 1.70 0.20 -0.57 3.60 0.00 -1.93 -0.39 119.26 121.87 1iwa h ALA 454 Ca 0.21 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 1iwa h ALA 454 Cb 0.11 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1iwa h ALA 454 CO -0.06 -0.48 0.03 1.25 0.00 0.00 0.00 179.25 180.00 1iwa h LEU 455 N -0.02 0.93 -0.03 0.00 5.85 -1.75 -2.57 115.31 117.71 1iwa h LEU 455 Ca 0.17 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1iwa h LEU 455 Cb 0.28 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1iwa h LEU 455 CO -0.36 0.97 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.58 1iwa h ARG 456 N 0.89 -0.04 -0.41 1.25 2.43 -1.02 -1.27 114.38 116.21 1iwa h ARG 456 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1iwa h ARG 456 Cb 0.48 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1iwa h ARG 456 CO 0.02 -0.03 0.27 1.15 -1.51 0.00 0.00 179.97 179.87 1iwa h THR 457 N -0.04 1.11 0.00 0.20 2.02 -1.02 -2.33 112.91 112.85 1iwa h THR 457 Ca 0.03 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 1iwa h THR 457 Cb 0.08 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1iwa h THR 457 CO -0.06 0.11 -0.17 0.00 0.37 0.00 0.00 175.52 175.77 1iwa h ALA 458 N 1.14 1.53 -0.09 6.16 0.00 -1.27 -1.89 119.26 124.85 1iwa h ALA 458 Ca 0.15 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1iwa h ALA 458 Cb -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1iwa h ALA 458 CO -0.03 0.22 -0.60 -0.07 0.00 0.00 0.00 179.25 178.76 1iwa h LEU 459 N 0.00 0.33 0.00 0.00 3.38 -0.68 -3.06 115.31 115.28 1iwa h LEU 459 Ca -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1iwa h LEU 459 Cb 0.35 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1iwa h LEU 459 CO 0.02 0.85 -0.79 0.44 0.09 0.00 0.00 178.44 179.05 1iwa h ASP 460 N 0.22 0.00 0.28 -0.43 3.32 -1.24 -2.87 116.42 115.69 1iwa h ASP 460 Ca -0.01 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1iwa h ASP 460 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1iwa h ASP 460 CO 0.10 0.07 -0.13 0.25 -1.72 0.00 0.00 179.24 177.80 1iwa h LEU 461 N 0.00 -0.32 -3.94 1.55 6.46 -1.33 -3.34 115.31 114.40 1iwa h LEU 461 Ca 0.00 0.01 -0.57 0.00 -0.12 0.00 0.00 57.88 57.20 1iwa h LEU 461 Cb 0.86 0.08 -0.29 0.00 -0.73 0.00 0.00 40.66 40.58 1iwa h LEU 461 CO 0.00 0.03 0.63 0.79 -0.62 0.00 0.00 178.44 179.27 1iwa n TRP 462 N -4.46 2.98 0.08 1.25 8.01 -1.16 -4.59 117.44 119.55 1iwa n TRP 462 Ca -0.05 -2.38 0.02 0.00 -1.31 0.00 0.00 57.50 53.78 1iwa n TRP 462 Cb 0.15 -1.11 0.39 0.00 -2.01 0.00 0.00 31.31 28.72 1iwa n TRP 462 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 1iwa h LYS 463 N 1.51 0.33 0.00 -0.99 3.64 -1.63 -3.22 116.57 116.22 1iwa h LYS 463 Ca 0.58 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 1iwa h LYS 463 Cb 1.79 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.56 1iwa h LYS 463 CO 1.26 0.39 -1.61 -0.25 -2.27 0.00 0.00 179.45 176.97 1iwa n ASP 464 N -4.32 1.19 -4.69 4.20 10.43 -1.26 -4.99 116.55 117.10 1iwa n ASP 464 Ca 0.00 -0.12 -0.52 0.00 2.57 0.00 0.00 54.79 56.72 1iwa n ASP 464 Cb 0.22 1.64 -0.06 0.00 1.84 0.00 0.00 41.12 44.77 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 -1.97 0.46 -4.03 0.53 2.08 -1.22 -4.96 119.36 110.25 1iwa n ILE 465 Ca -0.02 -0.08 -0.10 0.00 0.56 0.00 0.00 62.75 63.10 1iwa n ILE 465 Cb 0.40 -1.60 -0.11 0.00 -0.75 0.00 0.00 39.64 37.58 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 3.83 0.31 -0.58 1.39 -1.32 -1.26 -5.09 115.64 112.92 1iwa s THR 466 Ca 0.95 -1.13 0.04 0.00 -1.21 0.00 0.00 61.69 60.34 1iwa s THR 466 Cb -0.85 -0.61 0.17 0.00 -1.51 0.00 0.00 72.50 69.70 1iwa s THR 466 CO 0.57 -0.54 0.42 -0.36 -2.21 0.00 0.00 174.62 172.50 1iwa s PHE 467 N -1.83 2.64 -0.42 9.09 0.08 -1.26 -5.07 117.98 121.20 1iwa s PHE 467 Ca -0.10 -2.94 -0.07 0.00 0.12 0.00 0.00 56.93 53.95 1iwa s PHE 467 Cb -0.07 -2.07 0.10 0.00 -0.57 0.00 0.00 43.02 40.40 1iwa s PHE 467 CO -0.02 -0.66 0.25 -0.80 -0.10 0.00 0.00 175.22 173.89 1iwa s ASN 468 N -0.78 5.48 0.06 1.36 -0.87 -1.26 -4.86 114.94 114.06 1iwa s ASN 468 Ca 0.26 -1.80 0.02 0.00 -1.57 0.00 0.00 52.86 49.77 1iwa s ASN 468 Cb -0.04 -1.92 -0.03 0.00 -0.02 0.00 0.00 41.25 39.23 1iwa s ASN 468 CO -0.16 -0.57 -0.08 -0.31 -2.57 0.00 0.00 177.10 173.41 1iwa s TYR 469 N 1.30 0.75 0.35 2.20 1.51 -1.26 -5.13 117.35 117.06 1iwa s TYR 469 Ca 0.05 -0.61 -0.28 0.00 -1.01 0.00 0.00 57.07 55.22 1iwa s TYR 469 Cb -0.24 -0.44 -0.11 0.00 -0.11 0.00 0.00 41.96 41.07 1iwa s TYR 469 CO -0.01 -0.10 1.39 0.99 -1.11 0.00 0.00 175.55 176.71 1iwa s THR 470 N -1.99 2.41 0.54 -0.71 2.01 -1.26 -4.98 115.64 111.66 1iwa s THR 470 Ca -0.04 0.41 -0.18 0.00 0.31 0.00 0.00 61.69 62.19 1iwa s THR 470 Cb -0.06 -3.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.13 1iwa s THR 470 CO -0.01 0.10 1.07 -0.44 -0.69 0.00 0.00 174.62 174.64 1iwa s SER 471 N -0.30 5.98 -0.24 3.53 0.01 -1.26 -4.97 113.70 116.45 1iwa s SER 471 Ca 0.51 1.94 0.00 0.00 1.31 0.00 0.00 55.95 59.71 1iwa s SER 471 Cb -0.43 -2.55 -0.18 0.00 0.21 0.00 0.00 66.02 63.06 1iwa s SER 471 CO 0.57 -1.03 -0.15 0.35 0.41 0.00 0.00 173.24 173.39 1iwa n THR 472 N -1.45 1.53 -3.34 1.44 -2.24 -1.26 -4.75 114.28 104.21 1iwa n THR 472 Ca 0.10 -0.57 -0.46 0.00 -2.27 0.00 0.00 64.05 60.85 1iwa n THR 472 Cb 0.52 -1.49 -0.05 0.00 -2.10 0.00 0.00 70.33 67.22 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 -6.63 6.30 0.37 3.42 2.15 -1.25 -4.31 116.67 116.71 1iwa s ASP 473 Ca -0.33 -2.06 0.09 0.00 0.43 0.00 0.00 52.55 50.67 1iwa s ASP 473 Cb 0.09 -2.19 -0.07 0.00 -0.30 0.00 0.00 42.92 40.45 1iwa s ASP 473 CO 0.62 -0.76 -0.02 -0.89 -0.17 0.00 0.00 175.17 173.95 1iwa s THR 474 N 1.17 2.27 0.59 1.71 2.01 -1.26 -4.57 115.64 117.56 1iwa s THR 474 Ca 0.07 -2.06 -0.15 0.00 0.31 0.00 0.00 61.69 59.86 1iwa s THR 474 Cb -0.24 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 1iwa s THR 474 CO -0.01 -0.13 1.05 -0.55 -0.69 0.00 0.00 174.62 174.29 1iwa s SER 475 N -3.68 5.85 -0.02 3.53 0.15 -1.26 -4.99 113.70 113.28 1iwa s SER 475 Ca 0.34 1.77 0.12 0.00 0.70 0.00 0.00 55.95 58.89 1iwa s SER 475 Cb 0.04 -2.53 -0.19 0.00 -1.71 0.00 0.00 66.02 61.64 1iwa s SER 475 CO 0.18 -1.12 0.27 0.47 1.20 0.00 0.00 173.24 174.24 1iwa n ASP 476 N -2.06 2.21 -2.78 5.45 8.00 -1.26 -4.66 116.55 121.44 1iwa n ASP 476 Ca 0.08 -0.01 -0.26 0.00 0.71 0.00 0.00 54.79 55.31 1iwa n ASP 476 Cb 0.53 1.55 -0.02 0.00 -0.02 0.00 0.00 41.12 43.15 1iwa n ASP 476 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1iwa n PHE 477 N -1.91 3.58 1.47 1.24 3.01 -1.26 -4.81 117.46 118.78 1iwa n PHE 477 Ca -0.02 -3.65 0.14 0.00 1.01 0.00 0.00 57.45 54.93 1iwa n PHE 477 Cb 0.31 -0.34 0.50 0.00 -0.01 0.00 0.00 39.48 39.94 1iwa n PHE 477 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10