#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 1.86 -0.39 -0.78 3.00 -1.26 -5.04 116.66 114.05 1iwa n ARG 7 Ca 0.00 -2.48 -0.23 0.00 -0.00 0.00 0.00 57.85 55.14 1iwa n ARG 7 Cb 0.00 -1.50 0.21 0.00 0.00 0.00 0.00 32.46 31.18 1iwa n ARG 7 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1iwa n ILE 8 N -1.08 0.00 -3.83 5.15 5.41 -1.26 -5.07 119.36 118.68 1iwa n ILE 8 Ca 0.15 -0.13 -0.26 0.00 1.00 0.00 0.00 62.75 63.51 1iwa n ILE 8 Cb 0.63 -0.90 -0.00 0.00 -0.71 0.00 0.00 39.64 38.66 1iwa n ILE 8 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1iwa s LYS 9 N -4.70 2.25 -0.36 0.38 2.47 -1.26 -5.09 119.74 113.44 1iwa s LYS 9 Ca 0.52 -2.00 0.05 0.00 -1.56 0.00 0.00 55.97 52.98 1iwa s LYS 9 Cb -0.08 -2.13 0.24 0.00 -1.46 0.00 0.00 37.83 34.40 1iwa s LYS 9 CO 0.42 -0.65 1.22 -1.71 0.16 0.00 0.00 175.35 174.80 1iwa n ASN 10 N -1.80 -1.56 0.00 1.43 2.85 -1.26 -4.84 115.26 110.07 1iwa n ASN 10 Ca -0.01 -2.15 0.00 0.00 -0.11 0.00 0.00 54.58 52.31 1iwa n ASN 10 Cb 0.64 1.08 0.00 0.00 1.24 0.00 0.00 39.78 42.74 1iwa n ASN 10 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1iwa n SER 11 N -0.44 0.00 0.08 1.20 3.41 -1.26 -5.01 113.62 111.61 1iwa n SER 11 Ca -0.13 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.41 1iwa n SER 11 Cb 0.75 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.65 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 0.07 -0.97 4.33 9.65 -2.03 -3.34 114.38 122.09 1iwa h ARG 12 Ca 0.00 -0.09 -0.65 0.00 -1.10 0.00 0.00 59.98 58.14 1iwa h ARG 12 Cb 0.00 0.03 -0.33 0.00 -1.39 0.00 0.00 29.97 28.28 1iwa h ARG 12 CO 0.00 0.95 0.40 0.66 2.80 0.00 0.00 179.97 184.78 1iwa n TYR 13 N -3.51 3.10 -3.80 2.20 4.02 -1.26 -4.95 117.16 112.97 1iwa n TYR 13 Ca -0.02 -2.79 -0.37 0.00 -0.01 0.00 0.00 57.90 54.71 1iwa n TYR 13 Cb 0.87 -1.13 -0.06 0.00 -0.02 0.00 0.00 39.34 39.00 1iwa n TYR 13 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1iwa s GLU 14 N -3.77 3.68 0.12 -0.72 -1.05 -1.25 -4.48 118.70 111.22 1iwa s GLU 14 Ca 0.61 -0.08 -0.33 0.00 -0.15 0.00 0.00 54.97 55.01 1iwa s GLU 14 Cb 0.48 -3.25 -0.18 0.00 -0.44 0.00 0.00 34.13 30.74 1iwa s GLU 14 CO -0.01 0.65 0.80 0.43 0.95 0.00 0.00 175.26 178.08 1iwa n SER 15 N 2.35 -0.49 0.00 0.83 7.64 -1.26 -4.86 113.62 117.83 1iwa n SER 15 Ca -0.18 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.84 1iwa n SER 15 Cb 0.54 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 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 1.79 4.28 3.85 0.23 0.00 -1.26 -5.01 105.19 109.07 1iwa n GLY 16 Ca 0.18 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 1iwa n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwa s VAL 17 N -2.00 4.97 0.01 1.61 1.01 -1.26 -2.06 120.40 122.67 1iwa s VAL 17 Ca 0.00 0.69 -0.08 0.00 0.00 0.00 0.00 61.98 62.58 1iwa s VAL 17 Cb 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1iwa s VAL 17 CO 0.00 0.31 0.16 0.27 0.00 0.00 0.00 175.10 175.84 1iwa s ILE 18 N -1.39 0.09 0.26 2.22 -4.36 -1.26 -4.99 121.20 111.76 1iwa s ILE 18 Ca 0.34 -0.72 -0.31 0.00 -0.26 0.00 0.00 60.65 59.70 1iwa s ILE 18 Cb -0.15 -0.55 -0.12 0.00 1.25 0.00 0.00 42.46 42.89 1iwa s ILE 18 CO 0.18 -0.40 1.55 -0.81 0.24 0.00 0.00 174.94 175.71 1iwa n PRO 19 N 1.28 2.47 -0.15 0.37 -0.04 -1.26 -4.85 135.00 132.82 1iwa n PRO 19 Ca -0.22 0.88 0.28 0.00 -0.04 0.00 0.00 63.50 64.41 1iwa n PRO 19 Cb 0.56 -2.63 0.70 0.00 -0.04 0.00 0.00 33.50 32.08 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 4.94 0.00 0.00 0.54 0.05 -1.91 0.24 116.97 120.83 1iwa h TYR 20 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.32 1iwa h TYR 20 Cb 1.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.98 1iwa h TYR 20 CO 0.59 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.70 1iwa n ALA 21 N -2.52 1.63 0.41 3.88 0.00 -1.26 -2.65 120.51 120.00 1iwa n ALA 21 Ca 0.18 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.63 1iwa n ALA 21 Cb 1.06 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 19.22 1iwa n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1iwa n LYS 22 N -1.54 3.25 0.00 0.00 4.01 0.84 -4.31 118.16 120.42 1iwa n LYS 22 Ca 0.03 -0.01 0.15 0.00 -0.51 0.00 0.00 58.31 57.97 1iwa n LYS 22 Cb 0.16 -1.01 0.81 0.00 -0.51 0.00 0.00 35.03 34.49 1iwa n LYS 22 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1iwa n MET 22 N -1.32 0.58 0.00 1.97 2.81 -1.09 -4.85 117.12 115.23 1iwa n MET 22 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1iwa n MET 22 Cb 0.17 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 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 1.19 1.19 0.38 3.03 0.00 -1.26 -5.00 105.19 104.73 1iwa n GLY 23 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.25 0.00 -3.97 1.61 4.01 -1.21 -4.72 117.16 111.63 1iwa n TYR 24 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 1iwa n TYR 24 Cb 0.00 -0.07 -0.16 0.00 -0.31 0.00 0.00 39.34 38.80 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 -2.40 2.40 -0.41 -0.72 -0.11 -1.26 -1.60 118.94 114.84 1iwa s TRP 25 Ca 0.25 -1.66 0.04 0.00 1.22 0.00 0.00 56.10 55.95 1iwa s TRP 25 Cb 0.19 -1.60 0.17 0.00 -1.50 0.00 0.00 33.47 30.73 1iwa s TRP 25 CO 0.49 -0.75 0.36 1.21 -4.62 0.00 0.00 176.95 173.64 1iwa s ASN 26 N 1.40 1.32 0.40 5.86 3.84 -0.51 -4.95 114.94 122.30 1iwa s ASN 26 Ca -0.03 -2.86 0.21 0.00 0.21 0.00 0.00 52.86 50.39 1iwa s ASN 26 Cb -0.17 -0.23 1.14 0.00 -0.55 0.00 0.00 41.25 41.43 1iwa s ASN 26 CO -0.07 -0.18 1.60 1.55 -2.79 0.00 0.00 177.10 177.21 1iwa h PRO 27 N 5.75 0.00 -0.05 0.43 0.13 -1.77 0.24 132.00 136.72 1iwa h PRO 27 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1iwa h PRO 27 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1iwa h PRO 27 CO 0.33 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.85 1iwa n ASP 28 N -2.33 2.74 -4.67 1.44 10.43 -1.26 -4.89 116.55 118.01 1iwa n ASP 28 Ca -0.01 -1.91 -0.45 0.00 2.57 0.00 0.00 54.79 54.99 1iwa n ASP 28 Cb 0.22 -0.02 -0.03 0.00 1.84 0.00 0.00 41.12 43.13 1iwa n ASP 28 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1iwa n TYR 29 N 1.13 2.25 -3.38 1.24 9.36 0.84 -4.93 117.16 123.67 1iwa n TYR 29 Ca 0.15 0.35 -0.45 0.00 3.32 0.00 0.00 57.90 61.28 1iwa n TYR 29 Cb 0.55 -2.50 -0.07 0.00 -0.63 0.00 0.00 39.34 36.69 1iwa n TYR 29 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1iwa s GLN 30 N 0.17 2.96 0.24 2.98 -1.52 -1.26 -5.01 119.66 118.21 1iwa s GLN 30 Ca 0.73 -1.47 -0.31 0.00 -1.95 0.00 0.00 55.36 52.36 1iwa s GLN 30 Cb -0.66 -4.16 -0.14 0.00 -0.22 0.00 0.00 33.01 27.83 1iwa s GLN 30 CO 0.44 -1.12 1.30 0.28 -0.25 0.00 0.00 175.29 175.95 1iwa n VAL 31 N 5.20 1.11 -3.98 1.09 0.31 -1.26 -4.99 118.33 115.81 1iwa n VAL 31 Ca -0.13 -0.28 -0.26 0.00 -0.01 0.00 0.00 64.34 63.66 1iwa n VAL 31 Cb 0.42 -1.28 -0.04 0.00 -0.91 0.00 0.00 33.84 32.04 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 -0.62 3.29 0.26 5.55 1.02 -1.26 -5.00 119.74 122.98 1iwa s LYS 32 Ca 0.67 -0.67 0.23 0.00 0.02 0.00 0.00 55.97 56.22 1iwa s LYS 32 Cb -0.70 -2.88 0.99 0.00 -0.52 0.00 0.00 37.83 34.73 1iwa s LYS 32 CO 0.52 0.51 1.70 -0.25 -0.92 0.00 0.00 175.35 176.91 1iwa n ASP 33 N -0.50 0.65 -0.01 2.83 10.43 -1.26 -2.11 116.55 126.58 1iwa n ASP 33 Ca -0.07 0.67 0.11 0.00 2.57 0.00 0.00 54.79 58.07 1iwa n ASP 33 Cb 0.54 -0.81 0.06 0.00 1.84 0.00 0.00 41.12 42.76 1iwa n ASP 33 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1iwa n THR 34 N -2.23 0.00 -2.28 -3.53 -2.24 -1.26 -4.30 114.28 98.44 1iwa n THR 34 Ca 0.02 -0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.44 1iwa n THR 34 Cb 0.21 0.63 -0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 -2.99 5.87 -0.15 3.42 1.01 -0.90 -3.84 116.67 119.09 1iwa s ASP 35 Ca 0.10 2.19 -0.15 0.00 0.71 0.00 0.00 52.55 55.40 1iwa s ASP 35 Cb 0.17 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.47 1iwa s ASP 35 CO 0.78 -1.12 0.34 -0.69 0.21 0.00 0.00 175.17 174.69 1iwa s VAL 36 N -1.73 5.27 -0.02 -1.27 1.01 0.69 -4.05 120.40 120.30 1iwa s VAL 36 Ca 0.70 0.65 0.04 0.00 0.00 0.00 0.00 61.98 63.37 1iwa s VAL 36 Cb -0.25 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1iwa s VAL 36 CO 0.28 0.37 -0.11 -0.76 0.00 0.00 0.00 175.10 174.89 1iwa s LEU 37 N 0.49 2.93 0.02 3.92 1.43 -0.22 -0.53 118.68 126.73 1iwa s LEU 37 Ca 0.19 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1iwa s LEU 37 Cb -0.14 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 1iwa s LEU 37 CO 0.06 0.32 -0.10 0.00 0.23 0.00 0.00 176.35 176.85 1iwa s ALA 38 N -0.86 0.81 -0.16 4.21 0.00 -0.35 0.17 121.76 125.58 1iwa s ALA 38 Ca 0.14 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.49 1iwa s ALA 38 Cb -0.11 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1iwa s ALA 38 CO 0.04 0.13 -0.17 -1.17 0.00 0.00 0.00 175.76 174.58 1iwa s LEU 39 N -0.89 1.91 0.01 0.00 2.96 -0.76 -0.58 118.68 121.35 1iwa s LEU 39 Ca -0.01 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.37 1iwa s LEU 39 Cb -0.06 -1.33 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 1iwa s LEU 39 CO 0.00 -0.02 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.58 1iwa s PHE 40 N 1.32 2.86 -0.48 5.38 0.08 -0.31 -1.13 117.98 125.70 1iwa s PHE 40 Ca 0.03 -0.06 -0.17 0.00 0.12 0.00 0.00 56.93 56.85 1iwa s PHE 40 Cb -0.13 -1.59 0.06 0.00 -0.57 0.00 0.00 43.02 40.79 1iwa s PHE 40 CO -0.10 0.37 0.48 0.50 -0.10 0.00 0.00 175.22 176.36 1iwa s ARG 41 N -1.47 3.04 -0.16 0.44 3.52 0.93 -0.59 118.95 124.65 1iwa s ARG 41 Ca 0.17 -1.15 -0.08 0.00 -0.13 0.00 0.00 55.73 54.54 1iwa s ARG 41 Cb -0.11 -4.11 -0.04 0.00 -1.56 0.00 0.00 34.95 29.13 1iwa s ARG 41 CO 0.08 -1.08 0.11 0.08 -0.81 0.00 0.00 175.30 173.68 1iwa s VAL 42 N 2.02 5.26 -0.48 7.11 1.01 0.25 -2.04 120.40 133.52 1iwa s VAL 42 Ca 0.08 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.22 1iwa s VAL 42 Cb -0.22 -3.35 0.13 0.00 0.00 0.00 0.00 36.38 32.95 1iwa s VAL 42 CO 0.09 0.52 0.25 -0.89 0.00 0.00 0.00 175.10 175.06 1iwa s THR 43 N -0.20 2.09 0.64 3.92 2.01 -0.64 0.20 115.64 123.66 1iwa s THR 43 Ca 0.10 -2.99 -0.15 0.00 0.31 0.00 0.00 61.69 58.96 1iwa s THR 43 Cb -0.12 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 1iwa s THR 43 CO 0.01 -0.84 1.11 -2.16 -0.69 0.00 0.00 174.62 172.05 1iwa s PRO 44 N -0.01 2.89 0.51 4.92 0.04 -1.26 -0.82 135.00 141.27 1iwa s PRO 44 Ca 0.17 1.39 -0.21 0.00 0.04 0.00 0.00 61.00 62.40 1iwa s PRO 44 Cb -0.25 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 1iwa s PRO 44 CO 0.00 -1.18 1.16 -0.65 0.04 0.00 0.00 177.00 176.36 1iwa s GLN 45 N -4.03 3.50 0.19 4.56 -1.52 0.07 -4.49 119.66 117.94 1iwa s GLN 45 Ca 0.67 1.71 -0.33 0.00 -1.95 0.00 0.00 55.36 55.46 1iwa s GLN 45 Cb -0.20 -2.18 -0.14 0.00 -0.22 0.00 0.00 33.01 30.26 1iwa s GLN 45 CO 0.40 -0.75 1.40 -0.35 -0.25 0.00 0.00 175.29 175.73 1iwa n PRO 46 N -0.96 1.79 0.00 2.91 -0.04 -1.26 -0.65 135.00 136.78 1iwa n PRO 46 Ca 0.10 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 1iwa n PRO 46 Cb 0.49 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 1iwa n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1iwa n GLY 47 N 2.49 3.32 3.67 0.55 0.00 -1.26 -5.03 105.19 108.92 1iwa n GLY 47 Ca 0.14 0.00 -0.42 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 -2.90 4.77 -0.08 1.61 1.01 0.17 -4.99 120.40 120.00 1iwa s VAL 48 Ca 0.00 1.91 -0.30 0.00 0.00 0.00 0.00 61.98 63.60 1iwa s VAL 48 Cb 0.00 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1iwa s VAL 48 CO 0.00 -0.06 1.66 -0.62 0.00 0.00 0.00 175.10 176.09 1iwa s ASP 49 N 1.16 6.61 0.32 3.32 3.68 -1.26 -4.75 116.67 125.75 1iwa s ASP 49 Ca 0.44 2.16 0.08 0.00 2.13 0.00 0.00 52.55 57.36 1iwa s ASP 49 Cb -0.17 -2.53 0.93 0.00 -1.45 0.00 0.00 42.92 39.70 1iwa s ASP 49 CO 0.12 -0.99 1.62 1.55 0.13 0.00 0.00 175.17 177.60 1iwa h PRO 50 N 9.80 0.13 -0.13 4.34 0.13 -1.95 0.75 132.00 145.07 1iwa h PRO 50 Ca -0.39 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.65 1iwa h PRO 50 Cb 1.18 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1iwa h PRO 50 CO 0.96 0.09 -0.29 0.82 -0.23 0.00 0.00 178.00 179.35 1iwa h ILE 51 N 0.14 1.25 -0.27 -3.56 2.04 -1.99 0.22 117.51 115.33 1iwa h ILE 51 Ca 0.66 -1.20 -0.18 0.00 1.00 0.00 0.00 64.86 65.14 1iwa h ILE 51 Cb 1.48 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1iwa h ILE 51 CO -0.74 0.36 -0.55 -0.08 0.00 0.00 0.00 178.15 177.15 1iwa h GLU 52 N 0.21 0.85 -0.67 2.37 4.57 0.05 -1.64 114.58 120.32 1iwa h GLU 52 Ca 0.03 -0.55 -0.06 0.00 -1.18 0.00 0.00 59.36 57.60 1iwa h GLU 52 Cb 0.62 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 1iwa h GLU 52 CO 0.04 1.18 0.20 0.00 -1.18 0.00 0.00 179.01 179.26 1iwa h ALA 53 N 0.66 0.88 -0.12 2.92 0.00 -0.60 0.11 119.26 123.12 1iwa h ALA 53 Ca 0.01 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1iwa h ALA 53 Cb 1.16 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1iwa h ALA 53 CO 0.12 0.57 0.04 0.00 0.00 0.00 0.00 179.25 179.99 1iwa h ALA 54 N 1.08 0.13 -0.00 0.00 0.00 -0.85 -0.48 119.26 119.15 1iwa h ALA 54 Ca 0.22 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1iwa h ALA 54 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1iwa h ALA 54 CO -0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 179.25 178.59 1iwa h ALA 55 N 1.07 1.60 -0.49 0.00 0.00 -1.00 0.40 119.26 120.84 1iwa h ALA 55 Ca 0.05 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1iwa h ALA 55 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1iwa h ALA 55 CO -0.05 0.30 -0.07 0.00 0.00 0.00 0.00 179.25 179.43 1iwa h ALA 56 N 1.76 0.67 -0.37 0.00 0.00 0.13 0.71 119.26 122.15 1iwa h ALA 56 Ca -0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 1iwa h ALA 56 Cb 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1iwa h ALA 56 CO 0.03 0.54 -0.37 0.28 0.00 0.00 0.00 179.25 179.73 1iwa h VAL 57 N 0.77 1.28 0.17 0.00 2.07 -0.57 -0.74 116.25 119.22 1iwa h VAL 57 Ca 0.13 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 1iwa h VAL 57 Cb 0.62 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1iwa h VAL 57 CO 0.04 0.52 -0.08 0.00 0.02 0.00 0.00 177.57 178.06 1iwa h ALA 58 N 0.76 -0.23 0.47 1.67 0.00 -0.66 -2.39 119.26 118.89 1iwa h ALA 58 Ca 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1iwa h ALA 58 Cb 0.97 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1iwa h ALA 58 CO 0.09 -0.57 -0.22 0.78 0.00 0.00 0.00 179.25 179.33 1iwa h GLY 59 N -0.34 -0.65 2.00 0.00 0.00 0.48 -3.10 103.07 101.45 1iwa h GLY 59 Ca -0.02 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1iwa h GLY 59 CO 0.04 -0.24 0.00 0.83 0.00 0.00 0.00 176.54 177.17 1iwa h GLU 60 N -0.76 0.00 -0.65 4.80 4.39 -1.21 -1.01 114.58 120.14 1iwa h GLU 60 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1iwa h GLU 60 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1iwa h GLU 60 CO 0.11 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.83 1iwa n SER 61 N -3.00 3.60 0.00 1.42 3.41 -0.90 -4.80 113.62 113.35 1iwa n SER 61 Ca -0.02 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 1iwa n SER 61 Cb 0.14 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1iwa n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1iwa n SER 62 N 1.36 0.00 0.00 4.04 3.41 -0.60 -4.45 113.62 117.38 1iwa n SER 62 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1iwa n SER 62 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1iwa n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1iwa n THR 63 N -0.84 0.00 -1.19 6.66 -2.24 -1.06 -5.00 114.28 110.61 1iwa n THR 63 Ca 0.00 -0.16 -0.29 0.00 -2.27 0.00 0.00 64.05 61.33 1iwa n THR 63 Cb 0.00 0.71 0.20 0.00 -2.10 0.00 0.00 70.33 69.14 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 -0.73 0.91 0.37 6.98 0.00 -0.48 -5.03 121.76 123.78 1iwa s ALA 64 Ca 0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 51.25 1iwa s ALA 64 Cb 0.00 -3.01 0.03 0.00 0.00 0.00 0.00 23.12 20.13 1iwa s ALA 64 CO 0.00 -3.06 0.63 -0.08 0.00 0.00 0.00 175.76 173.25 1iwa s THR 65 N -3.04 0.00 0.05 0.00 -1.32 -1.26 -4.65 115.64 105.41 1iwa s THR 65 Ca 0.67 -1.31 0.23 0.00 -1.21 0.00 0.00 61.69 60.08 1iwa s THR 65 Cb -0.15 -2.77 0.23 0.00 -1.51 0.00 0.00 72.50 68.31 1iwa s THR 65 CO 0.57 0.00 1.77 4.11 -2.21 0.00 0.00 174.62 178.85 1iwa h TRP 66 N 2.05 0.00 -3.98 9.09 5.08 -1.99 -3.45 115.95 122.75 1iwa h TRP 66 Ca -0.30 0.00 -0.39 0.00 1.08 0.00 0.00 58.89 59.28 1iwa h TRP 66 Cb 1.24 0.00 -0.23 0.00 -3.00 0.00 0.00 29.16 27.18 1iwa h TRP 66 CO 1.46 0.23 -0.77 -0.08 -1.28 0.00 0.00 178.44 177.99 1iwa s THR 67 N -3.52 0.98 0.26 0.12 -1.32 -1.26 -4.59 115.64 106.30 1iwa s THR 67 Ca 0.02 -1.12 -0.31 0.00 -1.21 0.00 0.00 61.69 59.07 1iwa s THR 67 Cb 0.09 -0.93 -0.12 0.00 -1.51 0.00 0.00 72.50 70.03 1iwa s THR 67 CO 0.65 -0.17 1.62 0.52 -2.21 0.00 0.00 174.62 175.03 1iwa n VAL 68 N 1.58 0.67 -4.56 5.08 0.31 -0.87 -4.98 118.33 115.55 1iwa n VAL 68 Ca -0.20 -0.17 -0.28 0.00 -0.01 0.00 0.00 64.34 63.68 1iwa n VAL 68 Cb 0.55 -1.93 -0.17 0.00 -0.91 0.00 0.00 33.84 31.38 1iwa n VAL 68 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1iwa s VAL 69 N 0.38 1.43 0.24 2.52 -7.23 -1.26 -4.51 120.40 111.98 1iwa s VAL 69 Ca 0.68 -0.62 0.35 0.00 -1.81 0.00 0.00 61.98 60.58 1iwa s VAL 69 Cb -0.51 -1.30 0.39 0.00 0.56 0.00 0.00 36.38 35.52 1iwa s VAL 69 CO 0.43 0.43 2.07 4.11 -0.31 0.00 0.00 175.10 181.83 1iwa h TRP 70 N 7.23 0.00 0.00 2.82 5.08 -1.96 -2.74 115.95 126.38 1iwa h TRP 70 Ca -0.30 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.67 1iwa h TRP 70 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 1iwa h TRP 70 CO 0.48 0.01 0.23 1.79 -1.28 0.00 0.00 178.44 179.67 1iwa h THR 71 N 0.00 0.00 -0.80 0.12 1.35 -1.95 0.30 112.91 111.93 1iwa h THR 71 Ca -0.00 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.92 1iwa h THR 71 Cb 0.40 0.64 -0.05 0.00 -1.73 0.00 0.00 68.15 67.41 1iwa h THR 71 CO 0.00 0.00 0.53 0.44 -0.25 0.00 0.00 175.52 176.24 1iwa h ASP 72 N 0.00 0.77 0.07 5.36 5.19 -1.88 -0.87 116.42 125.07 1iwa h ASP 72 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1iwa h ASP 72 Cb 0.45 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1iwa h ASP 72 CO 0.00 0.50 0.00 0.18 -3.12 0.00 0.00 179.24 176.80 1iwa n LEU 73 N -4.48 0.35 -0.14 1.55 7.99 0.11 -1.21 117.00 121.16 1iwa n LEU 73 Ca 0.12 0.65 0.13 0.00 -0.01 0.00 0.00 56.01 56.90 1iwa n LEU 73 Cb 0.21 -0.68 0.40 0.00 -0.11 0.00 0.00 43.42 43.23 1iwa n LEU 73 CO 0.33 -0.74 0.65 0.18 -1.51 0.00 0.00 177.39 176.31 1iwa n LEU 74 N -1.96 0.73 -4.67 2.23 4.77 -0.33 -4.92 117.00 112.86 1iwa n LEU 74 Ca -0.00 -0.11 -0.31 0.00 -0.03 0.00 0.00 56.01 55.56 1iwa n LEU 74 Cb 0.04 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 40.87 1iwa n LEU 74 CO 0.07 0.15 -0.22 0.42 -1.33 0.00 0.00 177.39 176.48 1iwa s THR 75 N -2.65 0.82 -0.96 -5.08 -4.23 -0.35 -5.02 115.64 98.17 1iwa s THR 75 Ca 0.21 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.69 1iwa s THR 75 Cb 0.19 -2.15 0.21 0.00 1.34 0.00 0.00 72.50 72.08 1iwa s THR 75 CO 0.56 0.00 2.25 0.00 -0.54 0.00 0.00 174.62 176.89 1iwa n ALA 76 N -1.15 6.48 -0.34 3.99 0.00 -1.26 -4.81 120.51 123.41 1iwa n ALA 76 Ca -0.15 -4.00 0.02 0.00 0.00 0.00 0.00 53.44 49.30 1iwa n ALA 76 Cb 0.66 -2.32 0.07 0.00 0.00 0.00 0.00 19.45 17.86 1iwa n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iwa n ALA 77 N 0.61 0.02 -0.36 0.00 0.00 -1.26 -0.69 120.51 118.82 1iwa n ALA 77 Ca 0.54 0.93 -0.05 0.00 0.00 0.00 0.00 53.44 54.85 1iwa n ALA 77 Cb 0.32 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 19.28 1iwa n ALA 77 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1iwa h ASP 78 N 0.00 -1.63 -0.38 0.00 5.19 -1.94 0.26 116.42 117.92 1iwa h ASP 78 Ca 0.36 0.30 -0.02 0.00 -0.62 0.00 0.00 57.03 57.05 1iwa h ASP 78 Cb 0.58 0.79 -0.02 0.00 0.18 0.00 0.00 39.33 40.86 1iwa h ASP 78 CO -0.90 -0.28 0.15 0.25 -3.12 0.00 0.00 179.24 175.34 1iwa h LEU 79 N -0.04 0.53 -0.91 1.55 7.12 -1.32 -3.21 115.31 119.02 1iwa h LEU 79 Ca 0.27 -0.17 -0.11 0.00 0.13 0.00 0.00 57.88 57.99 1iwa h LEU 79 Cb 0.54 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.52 1iwa h LEU 79 CO -0.92 0.56 -0.54 1.88 -0.13 0.00 0.00 178.44 179.30 1iwa h TYR 80 N 0.48 0.00 -3.37 1.25 0.05 -0.52 -3.42 116.97 111.43 1iwa h TYR 80 Ca 0.13 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.38 1iwa h TYR 80 Cb 0.20 0.00 0.06 0.00 1.01 0.00 0.00 36.73 38.00 1iwa h TYR 80 CO 0.00 0.54 0.77 1.03 -1.05 0.00 0.00 178.16 179.45 1iwa s ARG 81 N -3.77 4.26 0.51 4.88 0.52 0.73 -4.65 118.95 121.43 1iwa s ARG 81 Ca -0.02 2.32 -0.15 0.00 -0.52 0.00 0.00 55.73 57.36 1iwa s ARG 81 Cb 0.13 -3.10 -0.07 0.00 0.52 0.00 0.00 34.95 32.42 1iwa s ARG 81 CO 0.75 -0.44 0.96 0.00 0.02 0.00 0.00 175.30 176.59 1iwa s ALA 82 N 0.02 3.11 -0.04 2.13 0.00 -1.26 -4.81 121.76 120.90 1iwa s ALA 82 Ca 0.60 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.67 1iwa s ALA 82 Cb -0.42 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1iwa s ALA 82 CO 0.43 -0.25 -0.04 -1.59 0.00 0.00 0.00 175.76 174.32 1iwa s LYS 83 N -4.14 0.75 -0.12 0.00 0.00 -0.79 -4.49 119.74 110.95 1iwa s LYS 83 Ca 0.57 -0.09 -0.28 0.00 0.00 0.00 0.00 55.97 56.17 1iwa s LYS 83 Cb -0.10 -0.77 -0.01 0.00 0.00 0.00 0.00 37.83 36.95 1iwa s LYS 83 CO 0.33 -0.07 0.96 0.00 0.00 0.00 0.00 175.35 176.57 1iwa s ALA 84 N 0.84 3.43 -0.32 0.59 0.00 -0.63 -1.58 121.76 124.09 1iwa s ALA 84 Ca -0.11 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.16 1iwa s ALA 84 Cb -0.14 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.63 1iwa s ALA 84 CO 0.00 -0.61 0.54 2.48 0.00 0.00 0.00 175.76 178.18 1iwa n TYR 85 N 5.05 0.00 -3.62 0.00 4.11 -0.63 -1.43 117.16 120.64 1iwa n TYR 85 Ca 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.94 1iwa n TYR 85 Cb 0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.77 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 -0.32 0.57 -0.05 -3.48 2.20 -1.25 -4.42 119.74 113.00 1iwa s LYS 86 Ca 0.03 1.21 0.03 0.00 -0.36 0.00 0.00 55.97 56.88 1iwa s LYS 86 Cb 0.02 0.47 0.00 0.00 -1.51 0.00 0.00 37.83 36.82 1iwa s LYS 86 CO 0.04 -0.16 -0.13 0.08 -0.36 0.00 0.00 175.35 174.82 1iwa s VAL 87 N 2.22 1.18 -0.03 4.02 1.01 -1.26 -1.22 120.40 126.32 1iwa s VAL 87 Ca -0.07 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 1iwa s VAL 87 Cb -0.08 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.27 1iwa s VAL 87 CO -0.19 0.35 0.13 -1.81 0.00 0.00 0.00 175.10 173.58 1iwa s ASP 88 N 0.33 -0.08 0.40 3.32 -0.00 -0.82 -4.95 116.67 114.87 1iwa s ASP 88 Ca -0.08 0.11 -0.25 0.00 -0.00 0.00 0.00 52.55 52.32 1iwa s ASP 88 Cb -0.13 0.25 -0.09 0.00 -0.00 0.00 0.00 42.92 42.96 1iwa s ASP 88 CO 0.03 -0.14 1.15 -1.58 -0.00 0.00 0.00 175.17 174.62 1iwa s GLN 89 N -0.39 4.09 0.08 8.23 0.74 -1.26 0.11 119.66 131.26 1iwa s GLN 89 Ca -0.05 1.78 -0.31 0.00 0.05 0.00 0.00 55.36 56.84 1iwa s GLN 89 Cb -0.03 -2.67 -0.07 0.00 1.10 0.00 0.00 33.01 31.34 1iwa s GLN 89 CO 0.00 -0.27 1.43 0.08 -0.55 0.00 0.00 175.29 175.98 1iwa s VAL 90 N -1.45 3.37 0.00 1.34 1.01 0.18 -4.76 120.40 120.09 1iwa s VAL 90 Ca 0.57 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1iwa s VAL 90 Cb -0.29 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1iwa s VAL 90 CO 0.37 0.04 0.00 -2.65 0.00 0.00 0.00 175.10 172.86 1iwa n PRO 91 N 4.55 0.00 -0.04 2.72 -0.02 -1.26 -2.42 135.00 138.53 1iwa n PRO 91 Ca 0.13 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.58 1iwa n PRO 91 Cb 0.42 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.83 1iwa n PRO 91 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1iwa n ASN 92 N -3.76 2.80 -4.38 2.55 5.03 -1.26 -4.90 115.26 111.34 1iwa n ASN 92 Ca 0.00 0.00 -0.45 0.00 0.87 0.00 0.00 54.58 55.00 1iwa n ASN 92 Cb 0.00 0.84 -0.04 0.00 -1.02 0.00 0.00 39.78 39.55 1iwa n ASN 92 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1iwa s ASN 93 N -3.94 6.18 0.00 6.41 3.84 -1.02 -4.91 114.94 121.51 1iwa s ASN 93 Ca -0.04 -1.42 0.09 0.00 0.21 0.00 0.00 52.86 51.69 1iwa s ASN 93 Cb 0.03 -2.31 0.51 0.00 -0.55 0.00 0.00 41.25 38.94 1iwa s ASN 93 CO 0.37 -1.13 1.03 -0.81 -2.79 0.00 0.00 177.10 173.78 1iwa n PRO 94 N 6.38 0.24 0.05 0.43 -0.04 -1.26 -1.99 135.00 138.81 1iwa n PRO 94 Ca -0.09 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.54 1iwa n PRO 94 Cb 0.42 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.08 0.37 -4.81 0.54 1.02 -1.26 -4.90 120.64 110.52 1iwa n GLU 95 Ca 0.06 0.05 -0.32 0.00 -0.02 0.00 0.00 57.16 56.93 1iwa n GLU 95 Cb 0.04 -1.67 -0.13 0.00 -0.02 0.00 0.00 31.44 29.66 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 -3.23 2.33 0.06 3.49 -0.21 -0.84 -4.19 119.66 117.06 1iwa s GLN 96 Ca 0.03 -0.81 0.06 0.00 0.02 0.00 0.00 55.36 54.66 1iwa s GLN 96 Cb 0.13 -2.30 -0.03 0.00 1.00 0.00 0.00 33.01 31.82 1iwa s GLN 96 CO 0.77 0.59 -0.16 0.71 -2.12 0.00 0.00 175.29 175.08 1iwa s TYR 97 N -0.81 1.41 -0.25 0.91 1.51 0.13 0.52 117.35 120.77 1iwa s TYR 97 Ca 0.13 -0.39 -0.15 0.00 -1.01 0.00 0.00 57.07 55.65 1iwa s TYR 97 Cb -0.11 -0.82 -0.04 0.00 -0.11 0.00 0.00 41.96 40.89 1iwa s TYR 97 CO 0.03 0.07 0.39 -0.06 -1.11 0.00 0.00 175.55 174.87 1iwa s PHE 98 N -0.97 3.29 -0.12 2.71 0.08 0.31 0.83 117.98 124.10 1iwa s PHE 98 Ca 0.03 0.49 0.01 0.00 0.12 0.00 0.00 56.93 57.58 1iwa s PHE 98 Cb -0.09 -2.57 -0.01 0.00 -0.57 0.00 0.00 43.02 39.79 1iwa s PHE 98 CO 0.02 -0.16 -0.16 0.00 -0.10 0.00 0.00 175.22 174.82 1iwa s ALA 99 N 1.85 2.50 -0.23 5.36 0.00 0.25 -1.94 121.76 129.55 1iwa s ALA 99 Ca 0.17 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 51.09 1iwa s ALA 99 Cb -0.15 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.80 1iwa s ALA 99 CO 0.09 0.24 0.23 0.71 0.00 0.00 0.00 175.76 177.03 1iwa s TYR 100 N 0.37 3.34 -0.06 0.00 1.51 -0.36 -1.16 117.35 121.00 1iwa s TYR 100 Ca -0.13 0.35 0.04 0.00 -1.01 0.00 0.00 57.07 56.32 1iwa s TYR 100 Cb -0.16 -2.34 -0.00 0.00 -0.11 0.00 0.00 41.96 39.35 1iwa s TYR 100 CO 0.06 0.06 -0.18 0.42 -1.11 0.00 0.00 175.55 174.80 1iwa s ILE 101 N 1.07 1.57 -0.14 2.71 1.01 0.26 -1.61 121.20 126.07 1iwa s ILE 101 Ca 0.11 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 1iwa s ILE 101 Cb -0.14 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 1iwa s ILE 101 CO 0.05 0.45 0.03 0.00 0.00 0.00 0.00 174.94 175.47 1iwa s ALA 102 N 0.20 3.31 -0.08 9.38 0.00 -0.61 -1.22 121.76 132.75 1iwa s ALA 102 Ca -0.09 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.14 1iwa s ALA 102 Cb -0.14 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.27 1iwa s ALA 102 CO 0.04 0.34 -0.20 0.71 0.00 0.00 0.00 175.76 176.65 1iwa s TYR 103 N -0.09 2.09 0.32 0.00 1.51 0.31 -1.88 117.35 119.62 1iwa s TYR 103 Ca 0.05 -0.77 -0.29 0.00 -1.01 0.00 0.00 57.07 55.05 1iwa s TYR 103 Cb -0.12 -1.42 -0.11 0.00 -0.11 0.00 0.00 41.96 40.20 1iwa s TYR 103 CO 0.02 -0.31 1.43 -2.00 -1.11 0.00 0.00 175.55 173.57 1iwa s GLU 104 N 0.32 4.23 0.27 -0.62 2.56 -1.26 -0.22 118.70 123.98 1iwa s GLU 104 Ca -0.13 2.39 0.00 0.00 0.00 0.00 0.00 54.97 57.23 1iwa s GLU 104 Cb -0.16 -3.04 0.59 0.00 2.00 0.00 0.00 34.13 33.52 1iwa s GLU 104 CO 0.06 -0.40 1.74 1.25 -0.56 0.00 0.00 175.26 177.34 1iwa h LEU 105 N 3.77 0.43 -0.89 2.70 6.46 -1.93 -1.83 115.31 124.02 1iwa h LEU 105 Ca -0.49 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 1iwa h LEU 105 Cb 1.23 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.22 1iwa h LEU 105 CO 0.69 0.13 0.01 0.47 -0.62 0.00 0.00 178.44 179.12 1iwa n ASP 106 N -4.95 0.35 0.21 1.25 8.00 -1.26 -1.83 116.55 118.33 1iwa n ASP 106 Ca 0.18 0.66 0.10 0.00 0.71 0.00 0.00 54.79 56.44 1iwa n ASP 106 Cb 0.51 -0.70 0.37 0.00 -0.02 0.00 0.00 41.12 41.27 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 -9.82 0.64 3.38 -1.70 -3.46 115.31 104.35 1iwa h LEU 107 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 1iwa h LEU 107 Cb 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1iwa h LEU 107 CO 0.00 0.21 -0.53 -0.36 0.09 0.00 0.00 178.44 177.85 1iwa s PHE 108 N -3.46 3.42 -0.13 1.13 0.08 -0.76 -5.06 117.98 113.20 1iwa s PHE 108 Ca 0.02 0.21 -0.23 0.00 0.12 0.00 0.00 56.93 57.05 1iwa s PHE 108 Cb 0.09 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 1iwa s PHE 108 CO 0.65 0.57 0.70 -2.00 -0.10 0.00 0.00 175.22 175.04 1iwa s GLU 109 N -2.42 4.33 0.22 0.44 2.12 -1.26 -5.01 118.70 117.12 1iwa s GLU 109 Ca 0.33 0.81 -0.32 0.00 0.36 0.00 0.00 54.97 56.15 1iwa s GLU 109 Cb -0.13 -3.51 -0.13 0.00 0.26 0.00 0.00 34.13 30.61 1iwa s GLU 109 CO 0.25 -0.11 1.48 0.39 -0.54 0.00 0.00 175.26 176.73 1iwa n GLU 110 N 4.49 2.12 -1.25 4.30 4.71 -1.26 -2.60 120.64 131.15 1iwa n GLU 110 Ca -0.00 0.76 -0.09 0.00 -0.01 0.00 0.00 57.16 57.82 1iwa n GLU 110 Cb 0.50 -2.47 -0.04 0.00 -1.01 0.00 0.00 31.44 28.43 1iwa n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iwa n GLY 111 N 2.60 0.93 3.19 0.62 0.00 -1.23 -4.99 105.19 106.30 1iwa n GLY 111 Ca 0.13 -0.16 -0.35 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 -2.46 4.61 0.18 1.61 0.15 -1.07 -4.95 113.70 111.77 1iwa s SER 112 Ca 0.00 -1.07 -0.04 0.00 0.70 0.00 0.00 55.95 55.53 1iwa s SER 112 Cb 0.00 -1.69 0.09 0.00 -1.71 0.00 0.00 66.02 62.71 1iwa s SER 112 CO 0.00 -0.19 1.49 0.40 1.20 0.00 0.00 173.24 176.14 1iwa h ILE 113 N 6.31 1.31 -0.88 6.45 1.08 -1.94 -2.20 117.51 127.64 1iwa h ILE 113 Ca -0.27 -1.78 0.01 0.00 -0.39 0.00 0.00 64.86 62.43 1iwa h ILE 113 Cb 1.08 1.74 -0.04 0.00 -3.07 0.00 0.00 36.82 36.53 1iwa h ILE 113 CO 0.55 0.56 0.57 0.00 -0.69 0.00 0.00 178.15 179.14 1iwa h ALA 114 N 0.93 1.11 -0.26 1.87 0.00 -1.93 0.61 119.26 121.60 1iwa h ALA 114 Ca 0.01 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1iwa h ALA 114 Cb 1.09 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1iwa h ALA 114 CO 0.10 0.53 -0.46 -0.97 0.00 0.00 0.00 179.25 178.45 1iwa h ASN 115 N 1.19 0.86 0.52 0.00 -0.73 -1.89 0.14 115.58 115.67 1iwa h ASN 115 Ca 0.32 -0.53 -0.02 0.00 1.87 0.00 0.00 56.30 57.94 1iwa h ASN 115 Cb -0.12 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.21 1iwa h ASN 115 CO -0.07 1.23 -0.32 0.25 -0.37 0.00 0.00 177.43 178.15 1iwa h LEU 116 N 0.52 -0.81 -1.02 0.34 5.85 -1.02 -2.67 115.31 116.50 1iwa h LEU 116 Ca 0.02 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1iwa h LEU 116 Cb 1.07 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 1iwa h LEU 116 CO 0.10 -0.51 0.43 0.71 -0.34 0.00 0.00 178.44 178.84 1iwa h THR 117 N -0.81 1.24 -1.00 1.05 1.35 -0.92 -2.16 112.91 111.66 1iwa h THR 117 Ca -0.06 -0.60 0.20 0.00 -0.55 0.00 0.00 66.41 65.40 1iwa h THR 117 Cb 0.66 0.16 -0.10 0.00 -1.73 0.00 0.00 68.15 67.13 1iwa h THR 117 CO 0.06 0.27 0.61 0.00 -0.25 0.00 0.00 175.52 176.21 1iwa h ALA 118 N 1.35 1.79 0.00 6.62 0.00 -0.44 -0.92 119.26 127.66 1iwa h ALA 118 Ca 0.28 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1iwa h ALA 118 Cb 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1iwa h ALA 118 CO -0.04 -0.17 -0.01 0.77 0.00 0.00 0.00 179.25 179.80 1iwa h SER 119 N 0.67 0.00 -0.17 0.00 0.02 -1.10 -2.86 113.55 110.12 1iwa h SER 119 Ca 0.58 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.58 1iwa h SER 119 Cb 1.02 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.51 1iwa h SER 119 CO -0.36 0.39 -0.16 0.40 -1.14 0.00 0.00 176.83 175.96 1iwa h ILE 120 N -0.77 0.57 -0.33 3.27 1.08 -1.31 -3.05 117.51 116.97 1iwa h ILE 120 Ca 0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 1iwa h ILE 120 Cb 0.01 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 1iwa h ILE 120 CO 0.00 0.00 0.01 2.30 -0.69 0.00 0.00 178.15 179.77 1iwa n ILE 121 N -5.31 2.41 0.01 -0.67 -5.35 -0.36 -4.76 119.36 105.33 1iwa n ILE 121 Ca -0.02 -1.89 -0.01 0.00 -0.27 0.00 0.00 62.75 60.56 1iwa n ILE 121 Cb 0.22 -0.27 -0.01 0.00 -1.74 0.00 0.00 39.64 37.85 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 2.02 -0.93 0.00 3.28 0.00 -1.39 -3.42 103.07 102.63 1iwa h GLY 122 Ca 0.04 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1iwa h GLY 122 CO 0.30 -0.35 0.00 0.70 0.00 0.00 0.00 176.54 177.19 1iwa n ASN 123 N -2.50 0.23 0.25 0.19 3.02 -1.26 -4.86 115.26 110.33 1iwa n ASN 123 Ca -0.01 -0.83 0.09 0.00 -0.03 0.00 0.00 54.58 53.80 1iwa n ASN 123 Cb 0.02 0.06 0.63 0.00 -0.61 0.00 0.00 39.78 39.88 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 0.57 0.91 0.00 2.41 -1.51 -1.86 -2.68 116.25 114.09 1iwa h VAL 124 Ca 0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 1iwa h VAL 124 Cb 0.28 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 1iwa h VAL 124 CO 0.00 0.12 0.00 0.49 -1.23 0.00 0.00 177.57 176.95 1iwa n PHE 125 N -4.14 0.00 -0.78 5.19 3.01 -1.26 -2.74 117.46 116.74 1iwa n PHE 125 Ca -0.02 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.51 1iwa n PHE 125 Cb 0.20 -0.17 0.14 0.00 -0.01 0.00 0.00 39.48 39.63 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 0.46 4.19 3.68 1.37 0.00 -1.01 -4.88 105.19 109.01 1iwa n GLY 126 Ca 0.13 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1iwa n GLY 126 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iwa s PHE 127 N -2.36 3.08 0.13 1.61 5.36 -1.11 -4.94 117.98 119.74 1iwa s PHE 127 Ca 0.27 1.12 -0.25 0.00 -0.96 0.00 0.00 56.93 57.11 1iwa s PHE 127 Cb 0.23 -3.47 -0.04 0.00 -0.34 0.00 0.00 43.02 39.40 1iwa s PHE 127 CO 0.04 -1.53 1.64 0.87 -1.46 0.00 0.00 175.22 174.79 1iwa h LYS 128 N 7.66 -0.34 0.00 10.12 1.57 -1.95 -1.16 116.57 132.48 1iwa h LYS 128 Ca -0.33 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1iwa h LYS 128 Cb 1.15 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1iwa h LYS 128 CO 0.90 -0.23 0.15 0.00 -0.57 0.00 0.00 179.45 179.71 1iwa n ALA 129 N -2.66 0.77 -3.79 3.86 0.00 -1.26 -3.93 120.51 113.50 1iwa n ALA 129 Ca -0.04 0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 1iwa n ALA 129 Cb 0.28 -0.88 -0.12 0.00 0.00 0.00 0.00 19.45 18.72 1iwa n ALA 129 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iwa s VAL 130 N -3.09 3.11 0.18 0.00 1.01 -0.44 -0.75 120.40 120.41 1iwa s VAL 130 Ca -0.01 -2.01 -0.15 0.00 0.00 0.00 0.00 61.98 59.81 1iwa s VAL 130 Cb 0.02 -3.11 0.13 0.00 0.00 0.00 0.00 36.38 33.43 1iwa s VAL 130 CO 0.08 -0.60 1.66 0.50 0.00 0.00 0.00 175.10 176.74 1iwa h LYS 131 N 7.98 0.03 -3.61 2.72 3.64 -1.10 -3.43 116.57 122.80 1iwa h LYS 131 Ca -0.13 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.14 1iwa h LYS 131 Cb 1.05 -0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 32.69 1iwa h LYS 131 CO 0.65 0.02 -0.42 0.00 -2.27 0.00 0.00 179.45 177.44 1iwa s ALA 132 N -6.21 -0.30 -0.08 5.00 0.00 -0.84 -5.03 121.76 114.31 1iwa s ALA 132 Ca -0.14 -0.34 -0.16 0.00 0.00 0.00 0.00 51.96 51.32 1iwa s ALA 132 Cb 0.16 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.59 1iwa s ALA 132 CO 0.72 -0.36 0.39 -1.17 0.00 0.00 0.00 175.76 175.34 1iwa s LEU 133 N -2.12 0.53 -0.19 0.00 2.96 -1.23 -1.61 118.68 117.01 1iwa s LEU 133 Ca -0.05 0.47 -0.08 0.00 -0.22 0.00 0.00 54.13 54.25 1iwa s LEU 133 Cb -0.01 1.45 0.07 0.00 0.50 0.00 0.00 46.19 48.20 1iwa s LEU 133 CO -0.04 -0.33 0.42 -0.60 -1.32 0.00 0.00 176.35 174.48 1iwa s ARG 134 N -0.64 0.37 -0.35 1.98 3.52 -0.87 -1.05 118.95 121.91 1iwa s ARG 134 Ca -0.07 0.91 -0.29 0.00 -0.13 0.00 0.00 55.73 56.15 1iwa s ARG 134 Cb -0.04 0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.51 1iwa s ARG 134 CO 0.03 -0.20 1.12 -1.17 -0.81 0.00 0.00 175.30 174.27 1iwa s LEU 135 N 1.96 3.86 -0.18 -0.88 2.96 -0.10 -0.05 118.68 126.24 1iwa s LEU 135 Ca -0.06 0.94 -0.16 0.00 -0.22 0.00 0.00 54.13 54.63 1iwa s LEU 135 Cb -0.10 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.93 1iwa s LEU 135 CO -0.13 -0.99 0.02 -0.62 -1.32 0.00 0.00 176.35 173.31 1iwa n GLU 136 N 7.14 0.52 -4.16 1.98 -0.58 -0.28 -0.92 120.64 124.35 1iwa n GLU 136 Ca 0.12 0.54 -0.12 0.00 -0.42 0.00 0.00 57.16 57.28 1iwa n GLU 136 Cb 0.47 -1.71 -0.09 0.00 -0.57 0.00 0.00 31.44 29.55 1iwa n GLU 136 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1iwa s ASP 137 N -6.39 0.21 -0.06 1.62 2.15 -1.22 -4.51 116.67 108.47 1iwa s ASP 137 Ca -0.23 -1.31 -0.15 0.00 0.43 0.00 0.00 52.55 51.29 1iwa s ASP 137 Cb 0.05 0.45 0.03 0.00 -0.30 0.00 0.00 42.92 43.14 1iwa s ASP 137 CO 0.43 -0.94 0.34 -0.32 -0.17 0.00 0.00 175.17 174.52 1iwa s MET 138 N -4.05 0.60 -0.32 4.34 1.75 -1.26 -1.82 119.30 118.53 1iwa s MET 138 Ca 0.35 0.07 -0.02 0.00 -1.25 0.00 0.00 55.69 54.84 1iwa s MET 138 Cb 0.05 0.27 0.06 0.00 2.84 0.00 0.00 34.83 38.05 1iwa s MET 138 CO 0.12 -0.14 0.04 0.50 -0.65 0.00 0.00 175.02 174.90 1iwa s ARG 139 N -0.78 2.37 -0.39 4.11 3.00 0.13 -4.91 118.95 122.47 1iwa s ARG 139 Ca -0.09 -1.35 -0.17 0.00 -1.00 0.00 0.00 55.73 53.12 1iwa s ARG 139 Cb -0.04 -3.28 0.01 0.00 0.00 0.00 0.00 34.95 31.64 1iwa s ARG 139 CO 0.03 -0.70 0.42 -0.51 0.00 0.00 0.00 175.30 174.54 1iwa s LEU 140 N 1.25 4.65 0.73 -0.88 1.43 -1.26 -1.05 118.68 123.54 1iwa s LEU 140 Ca -0.02 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 52.47 1iwa s LEU 140 Cb -0.20 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 1iwa s LEU 140 CO -0.01 -0.49 0.51 -0.81 0.23 0.00 0.00 176.35 175.78 1iwa n PRO 141 N 5.54 0.27 0.14 1.29 -0.04 -1.26 -4.72 135.00 136.22 1iwa n PRO 141 Ca -0.08 0.13 -0.13 0.00 -0.04 0.00 0.00 63.50 63.38 1iwa n PRO 141 Cb 0.48 -1.82 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 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 -0.42 -0.73 -2.60 1.53 5.85 -1.88 -1.19 115.31 115.88 1iwa h LEU 142 Ca -0.45 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.35 1iwa h LEU 142 Cb 1.35 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.64 1iwa h LEU 142 CO 0.42 -0.36 0.06 0.00 -0.34 0.00 0.00 178.44 178.22 1iwa h ALA 143 N 0.19 1.36 0.18 1.25 0.00 -1.91 -1.62 119.26 118.70 1iwa h ALA 143 Ca 0.02 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.62 1iwa h ALA 143 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1iwa h ALA 143 CO -0.12 -0.07 -1.46 -0.92 0.00 0.00 0.00 179.25 176.68 1iwa h TYR 144 N 0.00 0.67 -0.53 0.00 3.20 -1.72 -3.33 116.97 115.26 1iwa h TYR 144 Ca 0.01 -0.49 0.01 0.00 3.14 0.00 0.00 58.73 61.40 1iwa h TYR 144 Cb 0.13 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1iwa h TYR 144 CO 0.00 1.57 0.35 -0.07 -1.64 0.00 0.00 178.16 178.37 1iwa h LEU 145 N -0.08 0.61 -2.80 2.82 4.07 -0.40 -1.25 115.31 118.28 1iwa h LEU 145 Ca -0.28 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.66 1iwa h LEU 145 Cb 1.95 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 43.54 1iwa h LEU 145 CO 0.16 0.44 -0.00 0.11 -1.08 0.00 0.00 178.44 178.06 1iwa h LYS 146 N 0.71 0.00 -0.01 1.13 1.79 -1.44 0.39 116.57 119.14 1iwa h LYS 146 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1iwa h LYS 146 Cb -0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.58 1iwa h LYS 146 CO -0.04 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 178.58 1iwa n THR 147 N -3.21 0.01 -4.10 -0.16 -2.24 -0.47 -4.84 114.28 99.27 1iwa n THR 147 Ca -0.03 -0.13 -0.27 0.00 -2.27 0.00 0.00 64.05 61.36 1iwa n THR 147 Cb 0.09 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.99 3.10 0.10 4.78 0.40 0.12 -3.57 117.98 120.93 1iwa s PHE 148 Ca 0.42 -0.02 -0.08 0.00 -0.60 0.00 0.00 56.93 56.64 1iwa s PHE 148 Cb 0.21 -1.51 -0.18 0.00 0.51 0.00 0.00 43.02 42.05 1iwa s PHE 148 CO 0.34 0.52 1.23 0.37 0.70 0.00 0.00 175.22 178.38 1iwa h GLN 149 N 2.60 0.50 -0.03 0.44 4.15 -1.84 -3.50 115.11 117.42 1iwa h GLN 149 Ca -0.47 -0.59 0.00 0.00 0.77 0.00 0.00 58.65 58.36 1iwa h GLN 149 Cb 1.19 0.18 -0.00 0.00 0.21 0.00 0.00 27.48 29.06 1iwa h GLN 149 CO 0.63 1.22 -0.01 0.41 -1.93 0.00 0.00 178.83 179.15 1iwa n GLY 150 N 1.12 -1.53 3.58 2.39 0.00 -0.99 -4.75 105.19 105.01 1iwa n GLY 150 Ca -0.09 -1.52 -0.48 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.59 1.18 -0.17 1.61 -0.02 -1.18 -3.83 135.00 131.02 1iwa n PRO 151 Ca -0.00 0.42 -0.07 0.00 -2.02 0.00 0.00 63.50 61.83 1iwa n PRO 151 Cb 0.01 -1.89 0.02 0.00 -0.02 0.00 0.00 33.50 31.62 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 3.14 0.63 0.00 3.55 0.00 -1.53 -3.38 119.26 121.67 1iwa h ALA 152 Ca -0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1iwa h ALA 152 Cb 1.34 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1iwa h ALA 152 CO 0.68 0.05 -0.62 2.41 0.00 0.00 0.00 179.25 181.78 1iwa n THR 153 N -4.76 1.15 0.00 0.00 -1.04 -1.26 -4.70 114.28 103.67 1iwa n THR 153 Ca 0.03 0.24 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 1iwa n THR 153 Cb 0.04 -2.02 0.00 0.00 -1.82 0.00 0.00 70.33 66.53 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 1.93 -0.33 0.24 3.41 0.00 -1.26 -4.27 105.19 104.90 1iwa n GLY 154 Ca -0.09 -1.55 0.02 0.00 0.00 0.00 0.00 46.02 44.41 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 0.61 0.40 1.61 2.07 -1.71 -0.18 116.25 119.04 1iwa h VAL 155 Ca 0.00 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1iwa h VAL 155 Cb 0.00 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1iwa h VAL 155 CO 0.00 0.05 -0.19 0.40 0.02 0.00 0.00 177.57 177.85 1iwa h ILE 156 N 0.26 0.62 -0.17 4.57 1.08 -1.88 -1.71 117.51 120.27 1iwa h ILE 156 Ca 0.34 -0.12 -0.09 0.00 -0.39 0.00 0.00 64.86 64.60 1iwa h ILE 156 Cb 0.52 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 1iwa h ILE 156 CO -0.43 0.02 -0.31 0.25 -0.69 0.00 0.00 178.15 177.00 1iwa h LEU 157 N -0.60 0.35 -0.04 1.44 5.85 -1.71 -2.65 115.31 117.96 1iwa h LEU 157 Ca -0.05 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1iwa h LEU 157 Cb 0.44 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1iwa h LEU 157 CO 0.09 0.65 0.02 -0.08 -0.34 0.00 0.00 178.44 178.78 1iwa h GLU 158 N 0.30 0.06 -0.51 1.25 4.81 -0.92 -0.48 114.58 119.09 1iwa h GLU 158 Ca 0.04 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1iwa h GLU 158 Cb 0.70 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 1iwa h GLU 158 CO 0.05 0.14 0.34 0.00 -0.73 0.00 0.00 179.01 178.81 1iwa h ARG 159 N -0.03 0.62 0.00 1.92 3.08 -1.22 -0.66 114.38 118.08 1iwa h ARG 159 Ca 0.01 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 1iwa h ARG 159 Cb 0.10 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1iwa h ARG 159 CO -0.00 0.41 -0.47 0.93 -1.07 0.00 0.00 179.97 179.76 1iwa h GLU 160 N 0.63 0.00 0.00 0.04 5.08 -1.08 0.56 114.58 119.81 1iwa h GLU 160 Ca 0.20 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1iwa h GLU 160 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1iwa h GLU 160 CO -0.05 0.47 -0.23 0.00 -1.00 0.00 0.00 179.01 178.21 1iwa h ARG 161 N 0.00 0.00 0.00 2.33 3.08 0.31 -3.27 114.38 116.83 1iwa h ARG 161 Ca -0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1iwa h ARG 161 Cb 1.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.02 1iwa h ARG 161 CO 0.06 0.14 -2.01 1.28 -1.07 0.00 0.00 179.97 178.38 1iwa n LEU 162 N -3.10 0.21 -2.26 3.04 4.77 -0.43 -4.99 117.00 114.23 1iwa n LEU 162 Ca 0.03 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 1iwa n LEU 162 Cb 0.59 0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.95 1iwa n LEU 162 CO 0.36 0.23 0.07 -0.67 -1.33 0.00 0.00 177.39 176.06 1iwa n ASP 163 N -2.61 -2.51 -3.69 -1.43 4.64 0.19 -4.39 116.55 106.75 1iwa n ASP 163 Ca -0.17 -0.32 -0.23 0.00 -1.38 0.00 0.00 54.79 52.69 1iwa n ASP 163 Cb 0.87 -2.96 -0.17 0.00 -1.04 0.00 0.00 41.12 37.82 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 -4.93 0.23 0.14 -0.67 1.02 -0.97 -5.02 119.74 109.53 1iwa s LYS 164 Ca 0.07 0.08 0.03 0.00 0.02 0.00 0.00 55.97 56.16 1iwa s LYS 164 Cb -0.03 -1.20 -0.04 0.00 -0.52 0.00 0.00 37.83 36.04 1iwa s LYS 164 CO 0.39 -0.46 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.24 1iwa s PHE 165 N 2.07 1.12 -1.39 3.18 0.40 -1.26 -4.73 117.98 117.37 1iwa s PHE 165 Ca 0.03 -0.89 0.00 0.00 -0.60 0.00 0.00 56.93 55.48 1iwa s PHE 165 Cb -0.14 -0.62 0.00 0.00 0.51 0.00 0.00 43.02 42.77 1iwa s PHE 165 CO -0.06 -0.08 0.00 0.41 0.70 0.00 0.00 175.22 176.19 1iwa n GLY 166 N -0.16 1.36 3.52 4.36 0.00 -1.26 -4.99 105.19 108.02 1iwa n GLY 166 Ca -0.10 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.14 0.97 0.94 1.61 1.70 -1.26 -5.05 118.95 114.73 1iwa s ARG 167 Ca 0.00 0.12 -0.10 0.00 -0.47 0.00 0.00 55.73 55.28 1iwa s ARG 167 Cb 0.00 0.46 0.16 0.00 -0.57 0.00 0.00 34.95 35.00 1iwa s ARG 167 CO 0.00 -0.33 1.13 -2.14 -1.08 0.00 0.00 175.30 172.89 1iwa s PRO 168 N -1.57 0.79 0.19 3.89 0.02 -0.94 -4.83 135.00 132.55 1iwa s PRO 168 Ca -0.07 1.48 0.02 0.00 0.02 0.00 0.00 61.00 62.45 1iwa s PRO 168 Cb -0.00 -1.71 -0.04 0.00 0.02 0.00 0.00 34.50 32.78 1iwa s PRO 168 CO 0.05 -2.77 0.33 -0.51 -0.33 0.00 0.00 177.00 173.77 1iwa s LEU 169 N -6.68 4.30 -0.08 -5.54 1.43 0.26 -4.94 118.68 107.42 1iwa s LEU 169 Ca 0.67 0.20 0.04 0.00 -1.03 0.00 0.00 54.13 54.01 1iwa s LEU 169 Cb -0.23 -2.96 -0.01 0.00 0.03 0.00 0.00 46.19 43.02 1iwa s LEU 169 CO 0.59 -0.01 -0.22 -0.76 0.23 0.00 0.00 176.35 176.18 1iwa s LEU 170 N -3.48 2.23 0.00 1.79 1.43 -1.26 -0.10 118.68 119.29 1iwa s LEU 170 Ca 0.35 -0.48 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1iwa s LEU 170 Cb -0.10 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 1iwa s LEU 170 CO 0.29 0.21 0.16 0.61 0.23 0.00 0.00 176.35 177.85 1iwa n GLY 171 N 3.21 3.31 3.55 -3.19 0.00 0.31 -0.20 105.19 112.18 1iwa n GLY 171 Ca -0.18 -1.94 -0.01 0.00 0.00 0.00 0.00 46.02 43.88 1iwa n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iwa s THR 173 N 2.06 4.93 0.43 0.00 2.01 -1.26 -1.57 115.64 122.25 1iwa s THR 173 Ca -0.06 1.79 -0.26 0.00 0.31 0.00 0.00 61.69 63.47 1iwa s THR 173 Cb -0.06 -4.20 -0.09 0.00 0.01 0.00 0.00 72.50 68.16 1iwa s THR 173 CO -0.17 0.18 1.44 -0.89 -0.69 0.00 0.00 174.62 174.49 1iwa s THR 174 N 1.06 2.06 0.03 -0.82 2.01 -0.93 -4.55 115.64 114.51 1iwa s THR 174 Ca 0.45 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.53 1iwa s THR 174 Cb -0.19 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 1iwa s THR 174 CO 0.23 0.01 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.57 1iwa s LYS 175 N -2.34 0.43 0.76 4.92 -0.14 -1.26 -4.08 119.74 118.02 1iwa s LYS 175 Ca 0.59 -0.64 -0.14 0.00 -1.36 0.00 0.00 55.97 54.41 1iwa s LYS 175 Cb -0.45 -0.15 0.06 0.00 -1.68 0.00 0.00 37.83 35.61 1iwa s LYS 175 CO 0.58 0.02 1.22 -1.25 -0.76 0.00 0.00 175.35 175.16 1iwa s PRO 176 N -1.37 1.91 0.19 -1.68 0.04 -1.26 -5.06 135.00 127.76 1iwa s PRO 176 Ca -0.11 1.79 -0.19 0.00 0.04 0.00 0.00 61.00 62.53 1iwa s PRO 176 Cb -0.09 -1.80 0.14 0.00 0.04 0.00 0.00 34.50 32.79 1iwa s PRO 176 CO -0.00 -2.02 1.60 0.87 0.04 0.00 0.00 177.00 177.50 1iwa h LYS 177 N -0.54 -0.13 -5.69 4.56 1.57 -1.97 -3.43 116.57 110.94 1iwa h LYS 177 Ca -0.47 0.01 -0.48 0.00 -1.87 0.00 0.00 60.65 57.84 1iwa h LYS 177 Cb 1.30 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 33.49 1iwa h LYS 177 CO 0.48 -0.09 -0.75 -0.51 -0.57 0.00 0.00 179.45 178.02 1iwa s LEU 178 N -10.72 2.52 0.00 2.94 1.43 -1.26 -4.71 118.68 108.88 1iwa s LEU 178 Ca -0.14 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 51.99 1iwa s LEU 178 Cb 0.16 -0.73 0.00 0.00 0.03 0.00 0.00 46.19 45.65 1iwa s LEU 178 CO 0.70 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.77 1iwa n GLY 179 N -0.18 1.34 3.76 -3.19 0.00 -1.26 -5.09 105.19 100.57 1iwa n GLY 179 Ca -0.09 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1iwa n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwa s LEU 180 N 0.00 4.48 0.90 0.99 1.43 -1.26 -4.93 118.68 120.28 1iwa s LEU 180 Ca 0.00 2.47 -0.12 0.00 -1.03 0.00 0.00 54.13 55.45 1iwa s LEU 180 Cb 0.00 -3.63 0.18 0.00 0.03 0.00 0.00 46.19 42.76 1iwa s LEU 180 CO 0.00 -0.37 1.24 -0.94 0.23 0.00 0.00 176.35 176.51 1iwa s SER 181 N -0.53 3.47 0.03 2.29 1.04 -1.26 -4.66 113.70 114.08 1iwa s SER 181 Ca 0.48 0.15 -0.24 0.00 0.48 0.00 0.00 55.95 56.83 1iwa s SER 181 Cb -0.36 -0.30 -0.16 0.00 0.10 0.00 0.00 66.02 65.30 1iwa s SER 181 CO 0.46 -2.49 1.45 1.23 0.98 0.00 0.00 173.24 174.87 1iwa h GLY 182 N -1.36 0.09 0.47 7.32 0.00 -1.89 0.07 103.07 107.78 1iwa h GLY 182 Ca -0.43 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 46.86 1iwa h GLY 182 CO 0.40 0.06 -0.22 1.70 0.00 0.00 0.00 176.54 178.49 1iwa h LYS 183 N -0.21 -0.33 -0.70 4.80 1.63 -1.95 -2.11 116.57 117.70 1iwa h LYS 183 Ca 0.01 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 1iwa h LYS 183 Cb 0.34 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.01 1iwa h LYS 183 CO 0.00 -0.22 0.31 -0.91 -3.45 0.00 0.00 179.45 175.18 1iwa h ASN 184 N -0.34 0.93 -0.41 4.20 2.35 -1.94 -2.53 115.58 117.83 1iwa h ASN 184 Ca 0.07 -0.12 0.07 0.00 -0.55 0.00 0.00 56.30 55.77 1iwa h ASN 184 Cb 0.43 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.49 1iwa h ASN 184 CO -0.21 0.81 0.02 0.22 -1.65 0.00 0.00 177.43 176.62 1iwa h TYR 185 N 1.01 0.02 -0.93 1.19 3.20 -0.37 -1.49 116.97 119.61 1iwa h TYR 185 Ca 0.24 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.16 1iwa h TYR 185 Cb 0.15 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.42 1iwa h TYR 185 CO 0.01 -0.06 0.61 0.78 -1.64 0.00 0.00 178.16 177.87 1iwa h GLY 186 N 0.14 1.31 0.49 1.82 0.00 -0.99 -1.47 103.07 104.38 1iwa h GLY 186 Ca 0.20 -0.48 0.04 0.00 0.00 0.00 0.00 47.33 47.10 1iwa h GLY 186 CO -0.32 0.45 -0.13 -0.09 0.00 0.00 0.00 176.54 176.45 1iwa h ARG 187 N 1.23 -0.16 -0.70 4.80 1.12 -0.99 0.43 114.38 120.10 1iwa h ARG 187 Ca 0.35 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.23 1iwa h ARG 187 Cb -0.09 0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 29.87 1iwa h ARG 187 CO -0.09 -0.10 0.45 0.28 -3.11 0.00 0.00 179.97 177.40 1iwa h VAL 188 N -0.16 1.19 -0.08 0.20 2.07 -1.04 -1.74 116.25 116.69 1iwa h VAL 188 Ca 0.09 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1iwa h VAL 188 Cb 0.30 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1iwa h VAL 188 CO -0.23 0.19 0.05 0.58 0.02 0.00 0.00 177.57 178.17 1iwa h VAL 189 N 0.95 1.06 0.49 2.57 2.07 -0.28 -1.61 116.25 121.50 1iwa h VAL 189 Ca 0.26 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 1iwa h VAL 189 Cb -0.09 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1iwa h VAL 189 CO -0.05 0.05 -0.30 0.22 0.02 0.00 0.00 177.57 177.51 1iwa h TYR 190 N 0.07 -0.79 0.12 1.57 3.20 0.04 -1.65 116.97 119.54 1iwa h TYR 190 Ca 0.03 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1iwa h TYR 190 Cb 0.04 0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 1iwa h TYR 190 CO -0.06 -0.46 -0.42 0.93 -1.64 0.00 0.00 178.16 176.52 1iwa h GLU 191 N -0.75 -0.63 -0.32 1.82 4.39 -1.31 0.10 114.58 117.88 1iwa h GLU 191 Ca -0.06 0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.72 1iwa h GLU 191 Cb 0.61 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 1iwa h GLU 191 CO 0.06 -0.42 0.12 0.00 -1.16 0.00 0.00 179.01 177.61 1iwa h ALA 192 N -0.17 0.37 0.42 3.43 0.00 -1.30 0.28 119.26 122.29 1iwa h ALA 192 Ca 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1iwa h ALA 192 Cb 0.68 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1iwa h ALA 192 CO -0.24 -0.28 -0.20 -0.07 0.00 0.00 0.00 179.25 178.46 1iwa h LEU 193 N 0.26 -0.48 -1.20 0.00 3.38 -1.14 -2.50 115.31 113.63 1iwa h LEU 193 Ca 0.14 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.17 1iwa h LEU 193 Cb 0.11 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1iwa h LEU 193 CO -0.14 -0.28 0.57 0.50 0.09 0.00 0.00 178.44 179.18 1iwa h LYS 194 N -0.65 0.88 -0.10 1.13 3.64 -0.79 -1.05 116.57 119.63 1iwa h LYS 194 Ca -0.06 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1iwa h LYS 194 Cb 0.48 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1iwa h LYS 194 CO 0.10 0.58 0.10 0.78 -2.27 0.00 0.00 179.45 178.74 1iwa h GLY 195 N 0.91 0.00 0.00 5.01 0.00 -0.14 -3.45 103.07 105.40 1iwa h GLY 195 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1iwa h GLY 195 CO -0.17 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.98 1iwa n GLY 196 N -1.41 -0.90 3.84 4.60 0.00 -0.41 -2.39 105.19 108.53 1iwa n GLY 196 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1iwa n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwa s LEU 197 N 0.00 4.12 0.06 0.99 1.43 -0.97 -4.73 118.68 119.59 1iwa s LEU 197 Ca 0.00 1.31 0.07 0.00 -1.03 0.00 0.00 54.13 54.48 1iwa s LEU 197 Cb 0.00 -3.97 -0.23 0.00 0.03 0.00 0.00 46.19 42.02 1iwa s LEU 197 CO 0.00 -0.15 1.06 0.44 0.23 0.00 0.00 176.35 177.93 1iwa h ASP 198 N 2.51 0.07 -5.30 2.29 3.32 -1.12 -3.41 116.42 114.78 1iwa h ASP 198 Ca -0.48 -0.09 -0.14 0.00 0.02 0.00 0.00 57.03 56.35 1iwa h ASP 198 Cb 1.18 -0.02 -0.15 0.00 0.22 0.00 0.00 39.33 40.56 1iwa h ASP 198 CO 0.65 1.07 -0.65 -0.36 -1.72 0.00 0.00 179.24 178.23 1iwa s PHE 199 N -2.67 0.61 0.03 4.55 0.08 0.71 -2.86 117.98 118.45 1iwa s PHE 199 Ca -0.02 -1.10 -0.01 0.00 0.12 0.00 0.00 56.93 55.92 1iwa s PHE 199 Cb 0.09 -0.40 -0.03 0.00 -0.57 0.00 0.00 43.02 42.11 1iwa s PHE 199 CO 0.83 -0.44 -0.01 0.08 -0.10 0.00 0.00 175.22 175.58 1iwa s VAL 200 N -3.96 0.15 0.03 -0.44 1.01 -0.90 -2.87 120.40 113.42 1iwa s VAL 200 Ca 0.13 -1.27 -0.13 0.00 0.00 0.00 0.00 61.98 60.71 1iwa s VAL 200 Cb 0.08 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.65 1iwa s VAL 200 CO -0.06 -0.70 0.28 -1.59 0.00 0.00 0.00 175.10 173.03 1iwa s LYS 201 N -2.54 0.75 0.81 2.72 -2.85 -0.61 -0.25 119.74 117.78 1iwa s LYS 201 Ca -0.06 -0.46 -0.11 0.00 -1.00 0.00 0.00 55.97 54.34 1iwa s LYS 201 Cb -0.02 0.32 0.08 0.00 -2.06 0.00 0.00 37.83 36.16 1iwa s LYS 201 CO -0.05 -0.23 1.09 -0.51 0.10 0.00 0.00 175.35 175.75 1iwa s ASP 202 N -1.91 4.23 0.52 0.03 1.01 -0.98 -2.18 116.67 117.38 1iwa s ASP 202 Ca -0.07 1.55 -0.08 0.00 0.71 0.00 0.00 52.55 54.66 1iwa s ASP 202 Cb -0.02 -2.27 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 1iwa s ASP 202 CO -0.02 -2.17 0.87 -0.62 0.21 0.00 0.00 175.17 173.44 1iwa s ASP 203 N -3.57 6.29 0.49 0.27 3.68 -1.26 -4.77 116.67 117.79 1iwa s ASP 203 Ca 0.61 1.12 0.21 0.00 2.13 0.00 0.00 52.55 56.63 1iwa s ASP 203 Cb -0.16 -2.33 1.24 0.00 -1.45 0.00 0.00 42.92 40.21 1iwa s ASP 203 CO 0.56 -0.65 1.97 1.05 0.13 0.00 0.00 175.17 178.23 1iwa h GLU 204 N 0.19 0.18 -0.43 4.34 9.09 -1.95 0.25 114.58 126.24 1iwa h GLU 204 Ca -0.46 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.94 1iwa h GLU 204 Cb 1.20 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 1iwa h GLU 204 CO 0.62 0.12 0.00 0.27 0.05 0.00 0.00 179.01 180.07 1iwa n ASN 205 N -4.42 2.46 -4.44 3.06 6.94 -1.26 -4.77 115.26 112.82 1iwa n ASN 205 Ca 0.11 -1.97 -0.44 0.00 -0.02 0.00 0.00 54.58 52.26 1iwa n ASN 205 Cb 0.55 -0.29 -0.07 0.00 -2.36 0.00 0.00 39.78 37.61 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 -1.42 5.01 0.00 1.53 -1.09 0.07 -4.90 121.20 120.40 1iwa s ILE 206 Ca 0.32 -0.57 0.00 0.00 -2.23 0.00 0.00 60.65 58.16 1iwa s ILE 206 Cb 0.17 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 1iwa s ILE 206 CO 0.22 -0.65 0.00 0.59 -1.23 0.00 0.00 174.94 173.87 1iwa n ASN 207 N 5.81 0.00 -3.71 3.58 5.03 -1.26 -4.70 115.26 120.00 1iwa n ASN 207 Ca -0.08 0.00 -0.19 0.00 0.87 0.00 0.00 54.58 55.18 1iwa n ASN 207 Cb 0.45 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.04 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 0.91 0.26 6.41 0.15 -1.26 -4.04 113.70 117.12 1iwa s SER 208 Ca 0.00 0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.68 1iwa s SER 208 Cb 0.00 -0.17 -0.03 0.00 -1.71 0.00 0.00 66.02 64.12 1iwa s SER 208 CO 0.00 -0.21 0.27 -1.10 1.20 0.00 0.00 173.24 173.40 1iwa s GLN 209 N 1.82 1.47 0.27 5.44 1.11 0.03 -4.91 119.66 124.89 1iwa s GLN 209 Ca 0.01 -1.67 -0.01 0.00 0.01 0.00 0.00 55.36 53.69 1iwa s GLN 209 Cb -0.12 0.34 0.45 0.00 -1.01 0.00 0.00 33.01 32.66 1iwa s GLN 209 CO -0.03 -0.54 1.86 -1.35 0.01 0.00 0.00 175.29 175.24 1iwa h PRO 210 N 2.39 1.05 0.00 2.91 0.11 -2.01 -1.40 132.00 135.05 1iwa h PRO 210 Ca -0.31 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1iwa h PRO 210 Cb 1.24 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1iwa h PRO 210 CO 0.45 0.70 0.00 1.97 -0.21 0.00 0.00 178.00 180.90 1iwa n PHE 211 N -4.56 0.72 -3.22 0.65 1.16 -1.26 -4.69 117.46 106.25 1iwa n PHE 211 Ca 0.16 0.25 0.04 0.00 -1.87 0.00 0.00 57.45 56.04 1iwa n PHE 211 Cb 0.25 -0.91 -0.03 0.00 -1.61 0.00 0.00 39.48 37.18 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 -3.20 0.21 0.44 3.97 0.00 -0.54 -4.42 119.30 115.77 1iwa s MET 212 Ca 0.07 0.43 -0.16 0.00 0.00 0.00 0.00 55.69 56.03 1iwa s MET 212 Cb 0.11 0.25 -0.08 0.00 0.00 0.00 0.00 34.83 35.10 1iwa s MET 212 CO 0.46 -0.16 0.89 1.03 0.00 0.00 0.00 175.02 177.23 1iwa s ARG 213 N 2.70 3.99 0.24 4.11 1.81 -1.15 -0.79 118.95 129.86 1iwa s ARG 213 Ca -0.01 0.85 -0.07 0.00 -1.72 0.00 0.00 55.73 54.78 1iwa s ARG 213 Cb -0.08 -2.25 0.24 0.00 -0.45 0.00 0.00 34.95 32.41 1iwa s ARG 213 CO -0.14 -0.10 1.92 0.11 -0.68 0.00 0.00 175.30 176.41 1iwa h TRP 214 N 1.42 1.22 -0.28 -0.53 5.08 -1.90 -3.19 115.95 117.78 1iwa h TRP 214 Ca -0.48 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 59.52 1iwa h TRP 214 Cb 1.18 -0.41 -0.01 0.00 -3.00 0.00 0.00 29.16 26.92 1iwa h TRP 214 CO 0.62 0.77 0.16 0.00 -1.28 0.00 0.00 178.44 178.72 1iwa h ARG 215 N 1.31 0.37 -0.37 0.12 3.08 -1.94 -1.71 114.38 115.24 1iwa h ARG 215 Ca 0.35 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 60.22 1iwa h ARG 215 Cb -0.14 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 1iwa h ARG 215 CO -0.08 0.27 -0.39 0.93 -1.07 0.00 0.00 179.97 179.63 1iwa h GLU 216 N 0.38 0.90 0.11 0.04 3.07 -1.97 -2.23 114.58 114.89 1iwa h GLU 216 Ca 0.10 -0.48 -0.01 0.00 -0.50 0.00 0.00 59.36 58.48 1iwa h GLU 216 Cb -0.01 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1iwa h GLU 216 CO -0.02 1.13 -0.05 -0.09 -1.40 0.00 0.00 179.01 178.58 1iwa h ARG 217 N 0.73 -0.14 -0.17 2.33 2.43 -1.46 -1.39 114.38 116.71 1iwa h ARG 217 Ca 0.06 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1iwa h ARG 217 Cb 0.98 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.52 1iwa h ARG 217 CO 0.10 -0.06 -0.12 1.88 -1.51 0.00 0.00 179.97 180.25 1iwa h TYR 218 N -0.19 -0.30 0.60 2.20 -1.99 -1.31 0.14 116.97 116.11 1iwa h TYR 218 Ca -0.02 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 1iwa h TYR 218 Cb 0.15 0.16 -0.00 0.00 2.00 0.00 0.00 36.73 39.04 1iwa h TYR 218 CO -0.06 -0.19 -0.35 -0.07 -0.00 0.00 0.00 178.16 177.50 1iwa h LEU 219 N -0.13 -0.87 -1.32 3.88 4.07 -1.28 -1.81 115.31 117.85 1iwa h LEU 219 Ca 0.11 0.04 0.08 0.00 0.08 0.00 0.00 57.88 58.19 1iwa h LEU 219 Cb 0.28 0.25 -0.05 0.00 1.08 0.00 0.00 40.66 42.22 1iwa h LEU 219 CO -0.25 -0.55 0.51 -0.26 -1.08 0.00 0.00 178.44 176.82 1iwa h PHE 220 N -0.88 0.83 -0.61 1.13 0.05 -1.25 -2.62 116.94 113.59 1iwa h PHE 220 Ca -0.08 0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.67 1iwa h PHE 220 Cb 0.70 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 38.35 1iwa h PHE 220 CO -0.02 0.42 0.15 1.15 -0.18 0.00 0.00 178.31 179.83 1iwa h THR 221 N 0.80 1.25 -0.04 -1.55 2.02 -0.61 -1.95 112.91 112.83 1iwa h THR 221 Ca 0.35 -0.91 -0.09 0.00 0.77 0.00 0.00 66.41 66.53 1iwa h THR 221 Cb 0.31 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1iwa h THR 221 CO -0.13 0.34 -0.41 0.24 0.37 0.00 0.00 175.52 175.94 1iwa h MET 222 N 0.89 0.08 -0.36 6.66 2.86 -0.97 0.13 114.93 124.22 1iwa h MET 222 Ca 0.19 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1iwa h MET 222 Cb 0.35 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1iwa h MET 222 CO 0.00 0.48 0.16 1.49 1.06 0.00 0.00 176.91 180.10 1iwa h GLU 223 N 0.07 0.53 0.23 1.72 4.57 -1.19 -0.33 114.58 120.17 1iwa h GLU 223 Ca 0.00 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1iwa h GLU 223 Cb 0.76 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1iwa h GLU 223 CO 0.06 0.49 -0.11 0.00 -1.18 0.00 0.00 179.01 178.27 1iwa h ALA 224 N 1.01 -0.31 -0.33 2.92 0.00 -0.67 -1.36 119.26 120.51 1iwa h ALA 224 Ca 0.12 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1iwa h ALA 224 Cb 0.15 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1iwa h ALA 224 CO -0.01 -0.63 -0.07 0.28 0.00 0.00 0.00 179.25 178.82 1iwa h VAL 225 N -0.40 0.68 -0.44 0.00 2.07 -0.62 0.15 116.25 117.68 1iwa h VAL 225 Ca -0.03 -0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 1iwa h VAL 225 Cb 0.30 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1iwa h VAL 225 CO 0.05 0.00 0.05 0.78 0.02 0.00 0.00 177.57 178.47 1iwa h ASN 226 N 0.01 0.64 -0.45 0.57 2.35 -0.99 -0.55 115.58 117.16 1iwa h ASN 226 Ca 0.16 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.67 1iwa h ASN 226 Cb 0.24 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1iwa h ASN 226 CO -0.33 0.68 -0.15 0.11 -1.65 0.00 0.00 177.43 176.09 1iwa h LYS 227 N 0.65 0.94 -0.58 0.81 1.57 -0.31 -1.66 116.57 117.98 1iwa h LYS 227 Ca 0.14 -0.36 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 1iwa h LYS 227 Cb 0.33 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1iwa h LYS 227 CO 0.01 1.02 0.17 0.00 -0.57 0.00 0.00 179.45 180.07 1iwa h ALA 228 N 0.99 0.76 -0.23 3.86 0.00 -0.25 -0.90 119.26 123.50 1iwa h ALA 228 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1iwa h ALA 228 Cb 0.70 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1iwa h ALA 228 CO 0.05 0.44 0.15 1.03 0.00 0.00 0.00 179.25 180.92 1iwa h SER 229 N 0.82 0.26 0.35 0.00 0.87 -0.84 -0.64 113.55 114.37 1iwa h SER 229 Ca 0.19 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 1iwa h SER 229 Cb 0.31 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1iwa h SER 229 CO -0.00 0.19 -0.13 0.00 -0.53 0.00 0.00 176.83 176.36 1iwa h ALA 230 N 1.08 1.33 0.00 6.23 0.00 -1.10 0.24 119.26 127.04 1iwa h ALA 230 Ca 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1iwa h ALA 230 Cb -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1iwa h ALA 230 CO -0.02 0.17 -0.75 0.00 0.00 0.00 0.00 179.25 178.65 1iwa h ALA 231 N 1.87 0.65 0.00 0.00 0.00 -0.43 -3.40 119.26 117.96 1iwa h ALA 231 Ca -0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1iwa h ALA 231 Cb 0.34 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1iwa h ALA 231 CO 0.02 0.10 -1.41 0.25 0.00 0.00 0.00 179.25 178.20 1iwa n THR 232 N -2.83 0.40 -0.42 0.00 -2.24 -0.32 -5.01 114.28 103.86 1iwa n THR 232 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1iwa n THR 232 Cb 0.57 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 1iwa n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iwa n GLY 233 N 2.61 0.79 3.71 3.38 0.00 0.80 -5.07 105.19 111.40 1iwa n GLY 233 Ca -0.10 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.60 2.35 -0.27 1.61 2.02 -1.24 -5.07 118.70 117.50 1iwa s GLU 234 Ca 0.00 -1.51 -0.25 0.00 0.02 0.00 0.00 54.97 53.23 1iwa s GLU 234 Cb 0.00 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 32.06 1iwa s GLU 234 CO 0.00 0.19 0.88 0.08 0.02 0.00 0.00 175.26 176.44 1iwa s VAL 235 N -2.39 4.75 0.36 2.63 1.01 -1.26 -4.48 120.40 121.01 1iwa s VAL 235 Ca 0.36 1.54 0.08 0.00 0.00 0.00 0.00 61.98 63.95 1iwa s VAL 235 Cb -0.04 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1iwa s VAL 235 CO 0.22 -0.21 0.20 -0.54 0.00 0.00 0.00 175.10 174.77 1iwa s LYS 236 N 3.05 2.42 0.03 2.72 -0.14 -1.26 -5.00 119.74 121.56 1iwa s LYS 236 Ca 0.37 -1.56 -0.28 0.00 -1.36 0.00 0.00 55.97 53.14 1iwa s LYS 236 Cb -0.14 -2.21 0.07 0.00 -1.68 0.00 0.00 37.83 33.86 1iwa s LYS 236 CO 0.10 0.04 0.65 0.20 -0.76 0.00 0.00 175.35 175.58 1iwa s GLY 237 N -3.91 -0.59 -0.08 -3.33 0.00 -1.13 -4.77 107.32 93.50 1iwa s GLY 237 Ca 0.40 1.01 -0.01 0.00 0.00 0.00 0.00 44.72 46.12 1iwa s GLY 237 CO 0.24 0.66 -0.03 -1.58 0.00 0.00 0.00 173.10 172.39 1iwa s HIS 238 N -2.16 0.94 -0.39 1.90 2.46 -1.26 -2.13 115.29 114.65 1iwa s HIS 238 Ca -0.06 -0.35 -0.27 0.00 0.47 0.00 0.00 55.06 54.84 1iwa s HIS 238 Cb -0.00 -0.93 -0.05 0.00 -0.13 0.00 0.00 32.58 31.47 1iwa s HIS 238 CO 0.01 -0.37 2.19 0.71 -2.47 0.00 0.00 174.74 174.81 1iwa s TYR 239 N 1.78 1.28 -0.36 3.88 1.51 0.65 -4.68 117.35 121.41 1iwa s TYR 239 Ca 0.03 1.00 -0.25 0.00 -1.01 0.00 0.00 57.07 56.85 1iwa s TYR 239 Cb -0.13 -3.83 0.01 0.00 -0.11 0.00 0.00 41.96 37.90 1iwa s TYR 239 CO -0.06 -3.07 0.86 -0.51 -1.11 0.00 0.00 175.55 171.66 1iwa s LEU 240 N 9.80 4.06 -0.22 -1.29 1.43 -1.22 -2.32 118.68 128.92 1iwa s LEU 240 Ca 0.92 0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 54.24 1iwa s LEU 240 Cb -0.22 -3.15 -0.00 0.00 0.03 0.00 0.00 46.19 42.84 1iwa s LEU 240 CO 0.29 -0.78 1.17 0.21 0.23 0.00 0.00 176.35 177.47 1iwa s ASN 241 N 1.83 6.96 -0.04 2.29 3.04 -1.26 -1.60 114.94 126.15 1iwa s ASN 241 Ca 0.35 1.45 0.18 0.00 0.04 0.00 0.00 52.86 54.88 1iwa s ASN 241 Cb -0.13 -2.54 0.58 0.00 -1.54 0.00 0.00 41.25 37.62 1iwa s ASN 241 CO 0.17 -0.78 1.49 1.33 -3.04 0.00 0.00 177.10 176.27 1iwa n VAL 242 N 5.52 1.28 -1.68 -5.21 0.24 -0.95 -4.85 118.33 112.68 1iwa n VAL 242 Ca 0.13 -1.09 -0.46 0.00 -2.04 0.00 0.00 64.34 60.87 1iwa n VAL 242 Cb 0.46 0.37 -0.04 0.00 -1.47 0.00 0.00 33.84 33.15 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 1.14 0.33 -4.11 3.34 -1.04 -1.26 -4.43 114.28 108.25 1iwa n THR 243 Ca 0.22 -0.06 -0.12 0.00 -2.04 0.00 0.00 64.05 62.05 1iwa n THR 243 Cb 0.66 -1.80 -0.07 0.00 -1.82 0.00 0.00 70.33 67.30 1iwa n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iwa s ALA 244 N 2.66 0.62 0.15 2.41 0.00 -1.26 -4.82 121.76 121.50 1iwa s ALA 244 Ca 0.86 -1.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.30 1iwa s ALA 244 Cb -0.65 1.24 0.02 0.00 0.00 0.00 0.00 23.12 23.74 1iwa s ALA 244 CO 0.44 -0.72 1.62 0.00 0.00 0.00 0.00 175.76 177.10 1iwa h ALA 245 N 2.39 0.65 -2.04 0.00 0.00 -1.96 -3.46 119.26 114.85 1iwa h ALA 245 Ca -0.31 -0.25 -0.61 0.00 0.00 0.00 0.00 54.91 53.74 1iwa h ALA 245 Cb 1.25 -0.18 -0.13 0.00 0.00 0.00 0.00 17.79 18.72 1iwa h ALA 245 CO 0.44 0.41 -0.69 0.95 0.00 0.00 0.00 179.25 180.36 1iwa s THR 246 N -5.12 2.45 0.18 0.00 -4.23 -1.26 -5.05 115.64 102.61 1iwa s THR 246 Ca -0.13 -2.22 -0.11 0.00 -1.18 0.00 0.00 61.69 58.06 1iwa s THR 246 Cb 0.11 -2.57 0.08 0.00 1.34 0.00 0.00 72.50 71.47 1iwa s THR 246 CO 0.81 -0.28 1.71 -0.03 -0.54 0.00 0.00 174.62 176.30 1iwa h MET 247 N 2.06 0.96 -0.32 3.99 4.05 -2.00 -2.16 114.93 121.52 1iwa h MET 247 Ca -0.42 -0.20 0.03 0.00 -0.28 0.00 0.00 59.70 58.83 1iwa h MET 247 Cb 1.25 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.88 1iwa h MET 247 CO 0.66 0.84 0.13 0.93 0.23 0.00 0.00 176.91 179.70 1iwa h GLU 248 N 0.89 0.27 -0.40 0.39 3.07 -1.99 -0.64 114.58 116.17 1iwa h GLU 248 Ca 0.20 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.98 1iwa h GLU 248 Cb 0.27 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 1iwa h GLU 248 CO -0.01 0.18 -0.01 1.49 -1.40 0.00 0.00 179.01 179.26 1iwa h GLU 249 N 0.28 0.64 -0.46 2.33 4.57 -1.93 -1.95 114.58 118.05 1iwa h GLU 249 Ca 0.14 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 1iwa h GLU 249 Cb 0.09 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1iwa h GLU 249 CO -0.13 0.66 0.05 0.52 -1.18 0.00 0.00 179.01 178.94 1iwa h MET 250 N 0.60 0.78 -0.84 1.92 2.86 -0.82 -2.62 114.93 116.81 1iwa h MET 250 Ca 0.12 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1iwa h MET 250 Cb 0.39 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 1iwa h MET 250 CO 0.02 0.81 0.51 1.88 1.06 0.00 0.00 176.91 181.19 1iwa h TYR 251 N 0.64 1.10 -0.98 -0.22 0.05 -0.83 0.73 116.97 117.47 1iwa h TYR 251 Ca 0.14 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.93 1iwa h TYR 251 Cb 0.43 -0.36 -0.05 0.00 1.01 0.00 0.00 36.73 37.75 1iwa h TYR 251 CO 0.03 0.73 0.65 0.00 -1.05 0.00 0.00 178.16 178.52 1iwa h ALA 252 N 1.28 1.31 -0.07 3.88 0.00 -1.17 0.57 119.26 125.05 1iwa h ALA 252 Ca 0.30 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 1iwa h ALA 252 Cb -0.06 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 17.35 1iwa h ALA 252 CO -0.06 0.64 -0.68 0.00 0.00 0.00 0.00 179.25 179.15 1iwa h ARG 253 N 1.32 0.59 -0.56 0.00 3.08 -1.06 -1.95 114.38 115.80 1iwa h ARG 253 Ca 0.36 -0.54 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 1iwa h ARG 253 Cb -0.14 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1iwa h ARG 253 CO -0.08 1.16 0.23 0.00 -1.07 0.00 0.00 179.97 180.21 1iwa h ALA 254 N 0.44 0.72 -0.51 0.04 0.00 -0.49 -2.10 119.26 117.37 1iwa h ALA 254 Ca -0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1iwa h ALA 254 Cb 1.34 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1iwa h ALA 254 CO 0.14 0.33 0.05 -0.91 0.00 0.00 0.00 179.25 178.86 1iwa h ASN 255 N 0.76 0.77 0.10 0.00 -0.26 0.14 -1.51 115.58 115.59 1iwa h ASN 255 Ca 0.19 -0.17 -0.12 0.00 -0.56 0.00 0.00 56.30 55.65 1iwa h ASN 255 Cb 0.19 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 1iwa h ASN 255 CO -0.02 0.80 -0.39 0.15 -1.06 0.00 0.00 177.43 176.91 1iwa h PHE 256 N 0.77 0.45 -0.76 1.19 3.57 -1.11 0.13 116.94 121.18 1iwa h PHE 256 Ca 0.16 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1iwa h PHE 256 Cb 0.39 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1iwa h PHE 256 CO 0.02 0.72 0.25 0.00 -2.23 0.00 0.00 178.31 177.07 1iwa h ALA 257 N 1.26 1.00 -0.23 2.41 0.00 -0.88 -1.32 119.26 121.50 1iwa h ALA 257 Ca 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1iwa h ALA 257 Cb 0.84 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1iwa h ALA 257 CO 0.07 0.67 0.04 -0.22 0.00 0.00 0.00 179.25 179.81 1iwa h LYS 258 N 1.12 0.38 -0.83 0.00 3.64 -0.61 -2.32 116.57 117.95 1iwa h LYS 258 Ca 0.25 -0.10 0.08 0.00 -1.27 0.00 0.00 60.65 59.60 1iwa h LYS 258 Cb 0.29 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 1iwa h LYS 258 CO -0.01 0.51 0.50 0.93 -2.27 0.00 0.00 179.45 179.11 1iwa h GLU 259 N 0.19 0.85 0.00 1.90 5.08 -0.41 -2.29 114.58 119.90 1iwa h GLU 259 Ca 0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1iwa h GLU 259 Cb 0.31 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1iwa h GLU 259 CO 0.00 0.56 0.00 1.28 -1.00 0.00 0.00 179.01 179.86 1iwa n LEU 260 N -4.68 0.00 0.00 1.33 4.77 -0.53 -4.92 117.00 112.97 1iwa n LEU 260 Ca 0.13 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1iwa n LEU 260 Cb 0.22 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1iwa n LEU 260 CO 0.29 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1iwa n GLY 261 N 0.97 0.75 3.61 -0.72 0.00 -0.86 -5.03 105.19 103.91 1iwa n GLY 261 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1iwa n GLY 261 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iwa n SER 262 N 0.00 1.32 0.02 1.61 2.88 -0.90 -4.89 113.62 113.66 1iwa n SER 262 Ca 0.00 1.08 0.12 0.00 -1.33 0.00 0.00 58.87 58.74 1iwa n SER 262 Cb 0.00 -1.34 0.18 0.00 -0.75 0.00 0.00 64.21 62.30 1iwa n SER 262 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1iwa n VAL 263 N -0.24 0.13 -3.62 2.46 3.14 -1.26 -4.81 118.33 114.12 1iwa n VAL 263 Ca 0.09 -0.12 -0.13 0.00 -2.96 0.00 0.00 64.34 61.23 1iwa n VAL 263 Cb 0.37 0.16 -0.06 0.00 -1.06 0.00 0.00 33.84 33.26 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 -3.08 0.05 0.17 1.55 2.07 -1.26 -2.52 121.20 118.17 1iwa s ILE 264 Ca 0.08 -0.39 -0.05 0.00 -1.41 0.00 0.00 60.65 58.88 1iwa s ILE 264 Cb 0.16 -0.99 -0.03 0.00 0.13 0.00 0.00 42.46 41.73 1iwa s ILE 264 CO 0.73 -0.21 0.19 0.27 -1.91 0.00 0.00 174.94 174.01 1iwa s ILE 265 N -2.71 0.06 0.24 2.00 -4.36 -0.65 -3.39 121.20 112.38 1iwa s ILE 265 Ca -0.04 -1.69 0.03 0.00 -0.26 0.00 0.00 60.65 58.69 1iwa s ILE 265 Cb -0.00 -2.07 -0.05 0.00 1.25 0.00 0.00 42.46 41.58 1iwa s ILE 265 CO -0.04 -0.27 0.02 0.00 0.24 0.00 0.00 174.94 174.89 1iwa s MET 266 N -4.04 1.36 -0.05 0.37 0.23 -0.63 -0.97 119.30 115.58 1iwa s MET 266 Ca 0.24 -1.70 -0.22 0.00 -1.03 0.00 0.00 55.69 52.98 1iwa s MET 266 Cb 0.05 -0.56 0.05 0.00 -1.53 0.00 0.00 34.83 32.83 1iwa s MET 266 CO 0.04 -0.14 0.49 0.96 -2.03 0.00 0.00 175.02 174.34 1iwa s ILE 267 N -3.48 0.03 0.08 3.16 -4.36 0.13 -2.25 121.20 114.52 1iwa s ILE 267 Ca 0.30 -0.22 -0.08 0.00 -0.26 0.00 0.00 60.65 60.40 1iwa s ILE 267 Cb 0.06 -0.79 -0.06 0.00 1.25 0.00 0.00 42.46 42.93 1iwa s ILE 267 CO 0.10 -0.12 0.37 -1.81 0.24 0.00 0.00 174.94 173.72 1iwa s ASP 268 N -1.06 6.58 0.57 4.36 1.01 -1.26 -0.58 116.67 126.28 1iwa s ASP 268 Ca -0.11 0.71 0.26 0.00 0.71 0.00 0.00 52.55 54.12 1iwa s ASP 268 Cb -0.03 -2.14 1.55 0.00 1.01 0.00 0.00 42.92 43.31 1iwa s ASP 268 CO 0.06 0.15 2.09 0.25 0.21 0.00 0.00 175.17 177.94 1iwa h LEU 270 N 3.54 0.00 -0.34 1.23 5.85 -0.31 -1.80 115.31 123.47 1iwa h LEU 270 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1iwa h LEU 270 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1iwa h LEU 270 CO 0.68 0.00 0.00 0.55 -0.34 0.00 0.00 178.44 179.33 1iwa n VAL 271 N -4.03 1.44 0.18 1.05 3.14 -1.25 -2.30 118.33 116.56 1iwa n VAL 271 Ca 0.02 0.45 0.05 0.00 -2.96 0.00 0.00 64.34 61.90 1iwa n VAL 271 Cb 0.34 -1.38 0.27 0.00 -1.06 0.00 0.00 33.84 32.01 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 0.89 0.00 1.55 3.07 -1.71 -3.49 117.51 117.82 1iwa h ILE 272 Ca 0.00 -1.68 0.00 0.00 1.55 0.00 0.00 64.86 64.73 1iwa h ILE 272 Cb 0.10 2.03 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 1iwa h ILE 272 CO 0.00 0.40 0.00 0.61 -1.05 0.00 0.00 178.15 178.11 1iwa n GLY 273 N 0.43 2.94 0.16 0.16 0.00 -0.97 -4.60 105.19 103.30 1iwa n GLY 273 Ca 0.00 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.26 -0.31 1.61 0.05 -1.95 -0.03 116.97 116.08 1iwa h TYR 274 Ca 0.00 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 1iwa h TYR 274 Cb 0.00 0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1iwa h TYR 274 CO 0.00 -0.17 0.18 1.15 -1.05 0.00 0.00 178.16 178.28 1iwa h THR 275 N -0.09 1.11 -0.27 -2.88 2.02 -1.99 0.81 112.91 111.62 1iwa h THR 275 Ca 0.11 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1iwa h THR 275 Cb 0.26 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1iwa h THR 275 CO -0.26 0.11 0.05 0.00 0.37 0.00 0.00 175.52 175.79 1iwa h ALA 276 N 1.07 1.59 0.28 6.16 0.00 -1.76 -0.25 119.26 126.36 1iwa h ALA 276 Ca 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1iwa h ALA 276 Cb 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1iwa h ALA 276 CO -0.02 0.31 -0.14 0.82 0.00 0.00 0.00 179.25 180.22 1iwa h ILE 277 N 0.39 0.74 -0.66 0.00 2.04 -0.08 -0.48 117.51 119.46 1iwa h ILE 277 Ca 0.09 -0.61 0.06 0.00 1.00 0.00 0.00 64.86 65.41 1iwa h ILE 277 Cb 0.18 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1iwa h ILE 277 CO -0.00 0.12 0.43 1.56 0.00 0.00 0.00 178.15 180.26 1iwa h GLN 278 N -0.72 0.64 -0.38 2.37 4.20 -0.65 0.27 115.11 120.84 1iwa h GLN 278 Ca -0.04 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1iwa h GLN 278 Cb 0.49 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1iwa h GLN 278 CO 0.06 0.42 0.09 1.15 -0.67 0.00 0.00 178.83 179.89 1iwa h THR 279 N 0.65 1.22 -0.42 -0.54 2.02 -0.88 -2.04 112.91 112.94 1iwa h THR 279 Ca 0.28 -0.76 -0.09 0.00 0.77 0.00 0.00 66.41 66.62 1iwa h THR 279 Cb 0.28 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1iwa h THR 279 CO -0.09 0.26 -0.08 0.24 0.37 0.00 0.00 175.52 176.22 1iwa h MET 280 N 0.46 0.79 -0.74 6.66 2.86 0.31 -2.05 114.93 123.22 1iwa h MET 280 Ca 0.12 -0.29 0.11 0.00 -2.06 0.00 0.00 59.70 57.58 1iwa h MET 280 Cb 0.30 -0.05 -0.08 0.00 0.06 0.00 0.00 31.60 31.83 1iwa h MET 280 CO 0.00 0.91 0.35 0.00 1.06 0.00 0.00 176.91 179.23 1iwa h ALA 281 N 0.86 1.05 -0.54 6.32 0.00 -0.35 0.15 119.26 126.74 1iwa h ALA 281 Ca 0.11 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1iwa h ALA 281 Cb 0.60 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1iwa h ALA 281 CO 0.04 -0.09 -0.05 -0.22 0.00 0.00 0.00 179.25 178.93 1iwa h LYS 282 N 0.57 0.99 -0.43 0.00 3.64 -1.19 -2.07 116.57 118.09 1iwa h LYS 282 Ca 0.38 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1iwa h LYS 282 Cb 0.47 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1iwa h LYS 282 CO -0.31 1.02 0.27 2.35 -2.27 0.00 0.00 179.45 180.50 1iwa h TRP 283 N 0.87 0.55 -0.77 1.91 7.01 -0.42 -1.86 115.95 123.23 1iwa h TRP 283 Ca 0.15 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.16 1iwa h TRP 283 Cb 0.60 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.44 1iwa h TRP 283 CO 0.04 0.37 0.51 0.00 -2.79 0.00 0.00 178.44 176.58 1iwa h ALA 284 N 1.13 0.98 -0.61 2.65 0.00 -0.59 -0.19 119.26 122.64 1iwa h ALA 284 Ca 0.15 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1iwa h ALA 284 Cb -0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1iwa h ALA 284 CO -0.03 0.38 0.09 -0.09 0.00 0.00 0.00 179.25 179.61 1iwa h ARG 285 N 1.04 0.99 -0.00 0.00 9.65 -1.09 -1.60 114.38 123.37 1iwa h ARG 285 Ca 0.29 -0.25 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1iwa h ARG 285 Cb -0.10 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.35 1iwa h ARG 285 CO -0.07 0.91 -0.01 -0.25 2.80 0.00 0.00 179.97 183.36 1iwa n ASP 286 N -4.22 0.01 -0.11 -3.80 10.43 -0.73 -3.90 116.55 114.23 1iwa n ASP 286 Ca 0.04 0.29 0.04 0.00 2.57 0.00 0.00 54.79 57.73 1iwa n ASP 286 Cb 0.28 -0.43 0.06 0.00 1.84 0.00 0.00 41.12 42.87 1iwa n ASP 286 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1iwa n ASN 287 N -1.43 1.54 -3.81 -2.24 3.02 -0.12 -5.03 115.26 107.18 1iwa n ASN 287 Ca 0.09 -2.30 -0.26 0.00 -0.03 0.00 0.00 54.58 52.08 1iwa n ASN 287 Cb 0.31 -0.20 0.01 0.00 -0.61 0.00 0.00 39.78 39.29 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 -2.12 -4.22 6.41 10.43 -0.65 -4.98 116.55 120.69 1iwa n ASP 288 Ca 0.06 -0.97 -0.26 0.00 2.57 0.00 0.00 54.79 56.19 1iwa n ASP 288 Cb 0.51 -3.37 -0.15 0.00 1.84 0.00 0.00 41.12 39.95 1iwa n ASP 288 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 1iwa s MET 289 N -6.24 1.52 -0.11 -1.24 1.75 -0.88 -4.97 119.30 109.13 1iwa s MET 289 Ca 0.16 -0.80 -0.24 0.00 -1.25 0.00 0.00 55.69 53.56 1iwa s MET 289 Cb -0.06 -1.53 -0.03 0.00 2.84 0.00 0.00 34.83 36.06 1iwa s MET 289 CO 0.86 0.41 0.75 0.42 -0.65 0.00 0.00 175.02 176.81 1iwa s ILE 290 N -0.59 4.98 -0.44 10.11 1.01 -1.05 -4.64 121.20 130.59 1iwa s ILE 290 Ca 0.07 1.51 -0.10 0.00 0.00 0.00 0.00 60.65 62.14 1iwa s ILE 290 Cb -0.08 -4.08 0.09 0.00 0.01 0.00 0.00 42.46 38.40 1iwa s ILE 290 CO 0.00 0.16 0.30 -0.22 0.00 0.00 0.00 174.94 175.18 1iwa s LEU 291 N 1.36 5.33 -0.11 2.97 2.96 -1.26 -1.64 118.68 128.29 1iwa s LEU 291 Ca 0.38 -1.56 -0.20 0.00 -0.22 0.00 0.00 54.13 52.53 1iwa s LEU 291 Cb -0.17 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 1iwa s LEU 291 CO 0.16 -0.59 0.56 -2.28 -1.32 0.00 0.00 176.35 172.88 1iwa s HIS 292 N 1.45 3.52 -0.19 5.38 5.65 -0.14 -0.11 115.29 130.84 1iwa s HIS 292 Ca 0.04 1.00 -0.04 0.00 0.25 0.00 0.00 55.06 56.31 1iwa s HIS 292 Cb -0.24 -2.65 -0.02 0.00 -1.18 0.00 0.00 32.58 28.50 1iwa s HIS 292 CO 0.02 0.12 -0.03 -1.17 -0.65 0.00 0.00 174.74 173.03 1iwa s LEU 293 N 0.77 3.09 -0.21 8.88 2.96 0.83 -0.69 118.68 134.31 1iwa s LEU 293 Ca 0.30 -0.27 -0.14 0.00 -0.22 0.00 0.00 54.13 53.80 1iwa s LEU 293 Cb -0.16 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1iwa s LEU 293 CO 0.13 0.06 0.31 -2.28 -1.32 0.00 0.00 176.35 173.24 1iwa s HIS 294 N 1.02 3.36 0.00 5.38 5.65 0.25 -3.38 115.29 127.56 1iwa s HIS 294 Ca 0.01 0.48 0.00 0.00 0.25 0.00 0.00 55.06 55.80 1iwa s HIS 294 Cb -0.15 -2.42 0.00 0.00 -1.18 0.00 0.00 32.58 28.83 1iwa s HIS 294 CO 0.01 0.04 1.09 2.89 -0.65 0.00 0.00 174.74 178.12 1iwa n ARG 295 N 4.34 0.80 -1.54 2.88 1.85 -1.26 0.34 116.66 124.07 1iwa n ARG 295 Ca -0.11 0.00 -0.54 0.00 -1.00 0.00 0.00 57.85 56.20 1iwa n ARG 295 Cb 0.51 -1.10 -0.06 0.00 -1.05 0.00 0.00 32.46 30.76 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 0.97 -2.18 0.00 2.89 0.00 -1.26 -1.08 120.51 119.85 1iwa n ALA 296 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1iwa n ALA 296 Cb 0.40 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 1.98 2.96 0.32 0.00 0.00 -1.26 -3.75 105.19 105.43 1iwa n GLY 297 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.99 0.00 1.61 -1.24 -1.51 -1.62 115.58 111.82 1iwa h ASN 298 Ca 0.00 0.22 0.00 0.00 0.71 0.00 0.00 56.30 57.23 1iwa h ASN 298 Cb 0.00 0.53 0.00 0.00 0.73 0.00 0.00 38.32 39.58 1iwa h ASN 298 CO 0.00 -0.28 0.20 0.28 -1.29 0.00 0.00 177.43 176.33 1iwa h SER 299 N -0.11 0.00 0.05 1.15 0.02 -1.91 -2.34 113.55 110.42 1iwa h SER 299 Ca 0.27 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1iwa h SER 299 Cb 0.54 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 1iwa h SER 299 CO -0.70 0.00 -0.01 0.71 -1.14 0.00 0.00 176.83 175.70 1iwa h THR 300 N 0.00 0.22 0.00 -2.27 1.35 -1.70 -2.89 112.91 107.62 1iwa h THR 300 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1iwa h THR 300 Cb 0.39 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1iwa h THR 300 CO 0.00 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.28 1iwa n TYR 301 N -3.39 0.00 0.02 4.73 0.18 -0.90 -4.83 117.16 112.97 1iwa n TYR 301 Ca -0.03 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.84 1iwa n TYR 301 Cb 0.09 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 38.92 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 -0.27 1.03 0.38 9.48 3.41 -1.09 -1.16 113.62 125.40 1iwa n SER 302 Ca 0.00 -0.03 -0.17 0.00 -0.26 0.00 0.00 58.87 58.40 1iwa n SER 302 Cb 0.06 1.76 -0.09 0.00 -0.26 0.00 0.00 64.21 65.68 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 0.00 -0.93 -6.71 4.33 9.65 -1.78 -3.44 114.38 115.50 1iwa h ARG 303 Ca 0.00 0.06 -0.52 0.00 -1.10 0.00 0.00 59.98 58.43 1iwa h ARG 303 Cb 0.78 0.21 0.02 0.00 -1.39 0.00 0.00 29.97 29.59 1iwa h ARG 303 CO 0.00 -0.60 0.54 -0.65 2.80 0.00 0.00 179.97 182.06 1iwa s GLN 304 N -5.61 4.53 0.37 0.20 -1.52 -1.26 -3.97 119.66 112.38 1iwa s GLN 304 Ca -0.17 1.87 0.19 0.00 -1.95 0.00 0.00 55.36 55.30 1iwa s GLN 304 Cb 0.03 -3.22 0.58 0.00 -0.22 0.00 0.00 33.01 30.18 1iwa s GLN 304 CO 0.57 -0.01 1.68 -0.22 -0.25 0.00 0.00 175.29 177.06 1iwa h LYS 305 N 4.80 0.00 0.00 2.91 3.64 -1.86 -3.30 116.57 122.75 1iwa h LYS 305 Ca -0.45 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.82 1iwa h LYS 305 Cb 1.21 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1iwa h LYS 305 CO 0.72 0.36 -0.88 -2.95 -2.27 0.00 0.00 179.45 174.43 1iwa h ASN 306 N 0.00 0.00 -3.76 4.20 -1.07 -1.93 -3.48 115.58 109.55 1iwa h ASN 306 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.23 1iwa h ASN 306 Cb 0.98 0.00 -0.25 0.00 -2.07 0.00 0.00 38.32 36.98 1iwa h ASN 306 CO 0.05 0.42 -0.32 -2.28 0.07 0.00 0.00 177.43 175.37 1iwa s HIS 307 N -3.02 -0.40 -0.51 4.14 5.04 -1.24 -3.58 115.29 115.72 1iwa s HIS 307 Ca 0.01 0.96 0.00 0.00 -1.54 0.00 0.00 55.06 54.49 1iwa s HIS 307 Cb 0.08 0.14 0.00 0.00 0.04 0.00 0.00 32.58 32.84 1iwa s HIS 307 CO 0.77 -0.20 0.00 0.41 -2.34 0.00 0.00 174.74 173.38 1iwa n GLY 308 N 3.13 0.25 2.82 1.59 0.00 -0.22 -4.57 105.19 108.19 1iwa n GLY 308 Ca -0.15 -1.71 -0.19 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.73 0.45 0.48 1.61 -1.94 -0.31 -0.93 119.30 117.94 1iwa s MET 309 Ca 0.00 0.06 -0.23 0.00 -1.71 0.00 0.00 55.69 53.81 1iwa s MET 309 Cb 0.00 -0.65 -0.07 0.00 2.01 0.00 0.00 34.83 36.12 1iwa s MET 309 CO 0.00 -0.16 1.24 1.21 -0.01 0.00 0.00 175.02 177.30 1iwa s ASN 310 N 1.22 5.90 0.59 3.03 3.84 -0.09 -3.82 114.94 125.62 1iwa s ASN 310 Ca -0.07 2.49 0.34 0.00 0.21 0.00 0.00 52.86 55.83 1iwa s ASN 310 Cb -0.13 -2.62 1.88 0.00 -0.55 0.00 0.00 41.25 39.82 1iwa s ASN 310 CO -0.02 -1.12 2.23 0.15 -2.79 0.00 0.00 177.10 175.55 1iwa h PHE 311 N 1.93 0.00 -0.11 0.43 3.57 -1.90 -2.65 116.94 118.21 1iwa h PHE 311 Ca -0.50 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 60.95 1iwa h PHE 311 Cb 1.26 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 1iwa h PHE 311 CO 0.51 0.03 -0.17 0.07 -2.23 0.00 0.00 178.31 176.52 1iwa h ARG 312 N 0.00 0.17 -0.30 1.11 0.11 -1.91 0.02 114.38 113.58 1iwa h ARG 312 Ca -0.00 -0.04 -0.10 0.00 0.10 0.00 0.00 59.98 59.93 1iwa h ARG 312 Cb 0.12 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 1iwa h ARG 312 CO 0.00 0.34 -0.25 0.28 0.10 0.00 0.00 179.97 180.44 1iwa h VAL 313 N 0.16 1.27 -0.50 0.08 2.07 -1.70 -0.72 116.25 116.91 1iwa h VAL 313 Ca 0.03 -1.32 -0.13 0.00 0.82 0.00 0.00 66.70 66.11 1iwa h VAL 313 Cb 0.39 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1iwa h VAL 313 CO 0.03 0.43 -0.18 0.40 0.02 0.00 0.00 177.57 178.26 1iwa h ILE 314 N 0.51 1.27 -0.46 4.57 1.08 -1.35 -1.77 117.51 121.36 1iwa h ILE 314 Ca 0.07 -1.34 0.03 0.00 -0.39 0.00 0.00 64.86 63.23 1iwa h ILE 314 Cb 0.71 1.07 -0.04 0.00 -3.07 0.00 0.00 36.82 35.49 1iwa h ILE 314 CO 0.05 0.47 0.24 0.00 -0.69 0.00 0.00 178.15 178.23 1iwa h LYS 316 N 0.49 -0.27 -0.80 0.00 1.57 -0.97 -0.85 116.57 115.74 1iwa h LYS 316 Ca 0.19 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.06 1iwa h LYS 316 Cb 0.07 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 1iwa h LYS 316 CO -0.12 -0.05 0.48 -1.49 -0.57 0.00 0.00 179.45 177.69 1iwa h TRP 317 N -0.45 0.88 0.00 -1.35 6.55 -1.10 -1.87 115.95 118.61 1iwa h TRP 317 Ca -0.03 0.03 -0.08 0.00 0.95 0.00 0.00 58.89 59.76 1iwa h TRP 317 Cb 0.34 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.35 1iwa h TRP 317 CO -0.01 0.43 -0.38 0.52 -1.05 0.00 0.00 178.44 177.94 1iwa h MET 318 N 0.86 0.00 -0.02 0.49 2.86 -0.67 0.02 114.93 118.47 1iwa h MET 318 Ca 0.36 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.82 1iwa h MET 318 Cb 0.20 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1iwa h MET 318 CO -0.19 0.38 -0.76 -0.09 1.06 0.00 0.00 176.91 177.32 1iwa h ARG 319 N 0.00 0.19 -0.33 1.72 2.43 -0.51 -2.81 114.38 115.08 1iwa h ARG 319 Ca -0.00 -0.18 -0.12 0.00 -0.81 0.00 0.00 59.98 58.87 1iwa h ARG 319 Cb 0.89 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1iwa h ARG 319 CO 0.05 0.86 -0.26 0.52 -1.51 0.00 0.00 179.97 179.64 1iwa h MET 320 N 0.12 0.75 -0.79 0.20 2.86 -0.98 -3.11 114.93 113.99 1iwa h MET 320 Ca -0.03 -0.37 0.06 0.00 -2.06 0.00 0.00 59.70 57.30 1iwa h MET 320 Cb 1.34 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.94 1iwa h MET 320 CO 0.12 0.99 0.48 0.00 1.06 0.00 0.00 176.91 179.55 1iwa h ALA 321 N 0.75 1.08 0.00 6.32 0.00 -0.90 -2.62 119.26 123.88 1iwa h ALA 321 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1iwa h ALA 321 Cb 0.82 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1iwa h ALA 321 CO 0.07 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1iwa n GLY 322 N -1.31 1.59 3.77 0.00 0.00 -1.07 -4.58 105.19 103.59 1iwa n GLY 322 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1iwa n GLY 322 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwa s VAL 323 N -1.80 3.55 -0.11 1.61 1.01 -1.16 -1.50 120.40 121.99 1iwa s VAL 323 Ca 0.00 1.27 -0.05 0.00 0.00 0.00 0.00 61.98 63.20 1iwa s VAL 323 Cb 0.00 -3.70 -0.26 0.00 0.00 0.00 0.00 36.38 32.42 1iwa s VAL 323 CO 0.00 0.09 0.39 0.47 0.00 0.00 0.00 175.10 176.04 1iwa n ASP 324 N 0.17 2.03 -4.27 3.32 8.00 0.84 -4.45 116.55 122.20 1iwa n ASP 324 Ca 0.04 0.22 -0.24 0.00 0.71 0.00 0.00 54.79 55.52 1iwa n ASP 324 Cb 0.48 -0.80 -0.13 0.00 -0.02 0.00 0.00 41.12 40.65 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 -2.56 1.76 -0.24 1.24 3.76 -0.83 -0.06 115.29 118.36 1iwa s HIS 325 Ca -0.21 -0.41 -0.18 0.00 -0.15 0.00 0.00 55.06 54.11 1iwa s HIS 325 Cb 0.07 -0.99 0.07 0.00 1.11 0.00 0.00 32.58 32.83 1iwa s HIS 325 CO 0.77 0.17 0.61 -1.50 -0.85 0.00 0.00 174.74 173.94 1iwa s ILE 326 N -1.06 -0.00 -0.03 0.60 2.07 -1.06 -0.12 121.20 121.60 1iwa s ILE 326 Ca 0.06 0.01 -0.30 0.00 -1.41 0.00 0.00 60.65 59.02 1iwa s ILE 326 Cb -0.10 -0.87 -0.08 0.00 0.13 0.00 0.00 42.46 41.55 1iwa s ILE 326 CO 0.03 0.01 1.98 -1.00 -1.91 0.00 0.00 174.94 174.05 1iwa s HIS 327 N 0.86 1.35 -0.93 3.50 3.76 -1.22 -1.29 115.29 121.32 1iwa s HIS 327 Ca -0.04 -0.18 0.13 0.00 -0.15 0.00 0.00 55.06 54.82 1iwa s HIS 327 Cb -0.05 -4.15 -0.06 0.00 1.11 0.00 0.00 32.58 29.43 1iwa s HIS 327 CO -0.07 -5.05 0.65 0.00 -0.85 0.00 0.00 174.74 169.42 1iwa n ALA 328 N 8.35 3.28 0.00 -1.40 0.00 -0.87 -4.83 120.51 125.04 1iwa n ALA 328 Ca 0.22 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1iwa n ALA 328 Cb 0.42 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 1.14 -1.03 3.88 0.00 0.00 -1.18 -4.89 105.19 103.11 1iwa n GLY 329 Ca 0.04 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.29 1iwa n GLY 329 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iwa s THR 330 N -3.09 3.98 -0.23 2.61 -4.23 -1.26 -4.60 115.64 108.82 1iwa s THR 330 Ca 0.00 -1.29 0.08 0.00 -1.18 0.00 0.00 61.69 59.30 1iwa s THR 330 Cb 0.00 -3.33 -0.19 0.00 1.34 0.00 0.00 72.50 70.32 1iwa s THR 330 CO 0.00 -0.23 -0.10 0.52 -0.54 0.00 0.00 174.62 174.27 1iwa n VAL 331 N -1.37 1.39 1.24 2.29 0.31 -1.26 -4.42 118.33 116.50 1iwa n VAL 331 Ca -0.04 -0.66 0.13 0.00 -0.01 0.00 0.00 64.34 63.77 1iwa n VAL 331 Cb 0.59 -1.02 0.38 0.00 -0.91 0.00 0.00 33.84 32.88 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 -3.02 0.00 -0.24 2.52 0.24 -1.26 -4.70 118.33 111.87 1iwa n VAL 332 Ca -0.39 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1iwa n VAL 332 Cb 1.03 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 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 1.34 -1.69 0.03 7.63 0.00 -1.26 -4.33 105.19 106.92 1iwa n GLY 333 Ca 0.12 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.45 0.12 -3.98 1.61 2.85 0.18 -4.71 118.16 113.78 1iwa n LYS 334 Ca 0.00 0.06 -0.30 0.00 -1.05 0.00 0.00 58.31 57.02 1iwa n LYS 334 Cb 0.00 -1.60 -0.05 0.00 -0.65 0.00 0.00 35.03 32.73 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 -3.58 4.13 0.15 -5.58 2.01 -1.26 -5.05 118.68 109.49 1iwa s LEU 335 Ca 0.10 0.14 -0.33 0.00 0.01 0.00 0.00 54.13 54.05 1iwa s LEU 335 Cb 0.16 -2.75 -0.17 0.00 0.01 0.00 0.00 46.19 43.44 1iwa s LEU 335 CO 0.65 0.15 0.90 1.21 1.01 0.00 0.00 176.35 180.27 1iwa n GLU 336 N 0.22 0.47 -2.69 1.70 4.07 -1.26 -4.83 120.64 118.31 1iwa n GLU 336 Ca -0.07 0.17 -0.00 0.00 -0.06 0.00 0.00 57.16 57.19 1iwa n GLU 336 Cb 0.52 -1.48 0.02 0.00 -0.06 0.00 0.00 31.44 30.44 1iwa n GLU 336 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1iwa s GLY 337 N -0.40 -1.77 0.28 8.31 0.00 -1.26 -4.81 107.32 107.66 1iwa s GLY 337 Ca 0.73 1.08 -0.29 0.00 0.00 0.00 0.00 44.72 46.24 1iwa s GLY 337 CO 0.55 4.38 1.28 -0.35 0.00 0.00 0.00 173.10 178.97 1iwa s ASP 338 N 1.52 6.88 0.11 1.64 2.15 -1.26 -4.51 116.67 123.20 1iwa s ASP 338 Ca 0.18 2.54 -0.26 0.00 0.43 0.00 0.00 52.55 55.43 1iwa s ASP 338 Cb 0.09 -2.63 -0.09 0.00 -0.30 0.00 0.00 42.92 39.99 1iwa s ASP 338 CO -0.14 -0.48 1.65 1.55 -0.17 0.00 0.00 175.17 177.59 1iwa h PRO 339 N 4.12 -0.40 -0.30 4.34 0.13 -1.96 -0.04 132.00 137.89 1iwa h PRO 339 Ca -0.47 0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 64.51 1iwa h PRO 339 Cb 1.22 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1iwa h PRO 339 CO 0.70 -0.27 -0.50 0.82 -0.23 0.00 0.00 178.00 178.52 1iwa h ILE 340 N -0.42 1.28 -0.75 -3.56 2.04 -1.93 -1.10 117.51 113.08 1iwa h ILE 340 Ca 0.03 -1.69 -0.01 0.00 1.00 0.00 0.00 64.86 64.19 1iwa h ILE 340 Cb 0.44 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 1iwa h ILE 340 CO -0.13 0.55 0.41 0.40 0.00 0.00 0.00 178.15 179.38 1iwa h ILE 341 N 0.65 1.23 -0.57 -0.67 1.08 -1.80 -2.53 117.51 114.91 1iwa h ILE 341 Ca 0.03 -0.56 -0.06 0.00 -0.39 0.00 0.00 64.86 63.87 1iwa h ILE 341 Cb 1.09 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 1iwa h ILE 341 CO 0.11 0.25 0.11 0.74 -0.69 0.00 0.00 178.15 178.67 1iwa h THR 342 N 1.03 1.25 -0.69 -0.27 2.02 -0.88 -2.67 112.91 112.71 1iwa h THR 342 Ca 0.26 -0.94 0.10 0.00 0.77 0.00 0.00 66.41 66.61 1iwa h THR 342 Cb 0.03 0.77 -0.08 0.00 -1.74 0.00 0.00 68.15 67.14 1iwa h THR 342 CO -0.04 0.34 0.31 -0.09 0.37 0.00 0.00 175.52 176.41 1iwa h ARG 343 N 0.82 0.50 -0.85 6.66 2.43 -0.83 0.01 114.38 123.11 1iwa h ARG 343 Ca 0.17 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 1iwa h ARG 343 Cb 0.39 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.77 1iwa h ARG 343 CO 0.01 0.33 0.55 0.78 -1.51 0.00 0.00 179.97 180.13 1iwa h GLY 344 N 0.51 1.21 0.95 2.80 0.00 -1.12 -0.35 103.07 107.07 1iwa h GLY 344 Ca 0.35 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 1iwa h GLY 344 CO -0.31 0.25 -0.44 0.74 0.00 0.00 0.00 176.54 176.78 1iwa h PHE 345 N 0.90 -1.14 -0.77 5.60 0.05 -0.85 -1.69 116.94 119.05 1iwa h PHE 345 Ca 0.38 -0.03 0.17 0.00 3.82 0.00 0.00 57.97 62.31 1iwa h PHE 345 Cb 0.29 0.38 -0.11 0.00 2.00 0.00 0.00 35.95 38.51 1iwa h PHE 345 CO -0.00 -0.71 0.22 1.88 -0.18 0.00 0.00 178.31 179.52 1iwa h TYR 346 N -1.31 0.35 -0.55 -0.55 -1.99 -1.04 0.24 116.97 112.12 1iwa h TYR 346 Ca -0.13 0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.64 1iwa h TYR 346 Cb 0.95 -0.03 -0.03 0.00 2.00 0.00 0.00 36.73 39.62 1iwa h TYR 346 CO -0.00 -0.07 0.33 0.87 -0.00 0.00 0.00 178.16 179.28 1iwa h LYS 347 N 0.30 0.75 -0.47 4.88 1.57 -1.00 -0.20 116.57 122.40 1iwa h LYS 347 Ca 0.44 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 59.19 1iwa h LYS 347 Cb 0.76 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1iwa h LYS 347 CO -0.51 0.55 0.31 1.15 -0.57 0.00 0.00 179.45 180.38 1iwa h THR 348 N 0.74 1.01 0.01 -0.16 2.02 -0.01 -0.40 112.91 116.12 1iwa h THR 348 Ca 0.20 -0.16 -0.25 0.00 0.77 0.00 0.00 66.41 66.97 1iwa h THR 348 Cb -0.01 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 1iwa h THR 348 CO -0.04 0.08 -1.34 -0.07 0.37 0.00 0.00 175.52 174.52 1iwa h LEU 349 N 0.46 0.02 0.00 2.58 3.38 -0.71 -3.42 115.31 117.63 1iwa h LEU 349 Ca 0.20 -0.03 -0.43 0.00 0.09 0.00 0.00 57.88 57.70 1iwa h LEU 349 Cb 0.20 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1iwa h LEU 349 CO -0.05 1.03 -2.37 0.18 0.09 0.00 0.00 178.44 177.32 1iwa n LEU 350 N -3.22 1.98 -4.74 1.67 7.99 -0.15 -1.07 117.00 119.47 1iwa n LEU 350 Ca -0.08 0.33 -0.36 0.00 -0.01 0.00 0.00 56.01 55.89 1iwa n LEU 350 Cb 1.00 -0.85 0.06 0.00 -0.11 0.00 0.00 43.42 43.52 1iwa n LEU 350 CO 0.46 0.55 0.86 -0.76 -1.51 0.00 0.00 177.39 176.99 1iwa s LEU 351 N -7.52 3.56 0.14 2.23 1.02 -0.19 -4.79 118.68 113.14 1iwa s LEU 351 Ca -0.37 2.48 0.25 0.00 0.02 0.00 0.00 54.13 56.51 1iwa s LEU 351 Cb 0.13 -4.60 0.54 0.00 0.02 0.00 0.00 46.19 42.28 1iwa s LEU 351 CO 0.51 -1.88 1.50 -0.81 0.02 0.00 0.00 176.35 175.69 1iwa n PRO 352 N -1.92 0.26 -3.72 1.29 -0.04 -1.26 -4.82 135.00 124.79 1iwa n PRO 352 Ca 0.14 0.13 -0.12 0.00 -0.04 0.00 0.00 63.50 63.62 1iwa n PRO 352 Cb 0.49 -1.72 -0.11 0.00 -0.04 0.00 0.00 33.50 32.12 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 -3.13 0.38 -0.10 0.54 2.20 -1.26 -1.41 119.74 116.96 1iwa s LYS 353 Ca 0.08 0.65 -0.03 0.00 -0.36 0.00 0.00 55.97 56.31 1iwa s LYS 353 Cb 0.13 0.04 -0.03 0.00 -1.51 0.00 0.00 37.83 36.46 1iwa s LYS 353 CO 0.67 -0.12 0.03 -0.51 -0.36 0.00 0.00 175.35 175.06 1iwa s LEU 354 N 0.95 3.76 -0.06 5.43 1.02 0.17 -4.93 118.68 125.01 1iwa s LEU 354 Ca -0.06 0.21 0.06 0.00 0.02 0.00 0.00 54.13 54.35 1iwa s LEU 354 Cb -0.07 -1.88 -0.01 0.00 0.02 0.00 0.00 46.19 44.26 1iwa s LEU 354 CO -0.07 0.38 -0.24 -1.61 0.02 0.00 0.00 176.35 174.83 1iwa s GLU 355 N -0.86 2.46 0.23 1.70 2.02 -1.26 0.59 118.70 123.58 1iwa s GLU 355 Ca 0.13 -0.86 -0.30 0.00 0.02 0.00 0.00 54.97 53.96 1iwa s GLU 355 Cb -0.12 -2.07 -0.15 0.00 0.10 0.00 0.00 34.13 31.89 1iwa s GLU 355 CO 0.03 0.35 1.01 -2.13 0.02 0.00 0.00 175.26 174.53 1iwa n ARG 356 N 3.02 1.11 -3.22 1.61 0.63 -1.25 -4.87 116.66 113.69 1iwa n ARG 356 Ca -0.18 0.39 -0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1iwa n ARG 356 Cb 0.52 -1.77 -0.02 0.00 0.45 0.00 0.00 32.46 31.65 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 -0.39 -1.25 0.53 6.15 3.84 0.21 -5.01 114.94 119.01 1iwa s ASN 357 Ca 0.65 -0.68 0.32 0.00 0.21 0.00 0.00 52.86 53.35 1iwa s ASN 357 Cb -0.79 1.82 1.47 0.00 -0.55 0.00 0.00 41.25 43.20 1iwa s ASN 357 CO 0.56 -0.21 1.87 -0.07 -2.79 0.00 0.00 177.10 176.47 1iwa h LEU 358 N 7.20 0.03 -0.16 3.21 -0.00 -1.94 0.47 115.31 124.12 1iwa h LEU 358 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1iwa h LEU 358 Cb 1.17 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.82 1iwa h LEU 358 CO 0.12 0.01 0.10 1.56 -0.00 0.00 0.00 178.44 180.23 1iwa h GLN 359 N 0.02 0.21 0.00 1.13 1.08 -1.93 -2.75 115.11 112.87 1iwa h GLN 359 Ca 0.45 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.63 1iwa h GLN 359 Cb 1.77 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 29.15 1iwa h GLN 359 CO -0.02 0.14 -0.05 0.93 -0.95 0.00 0.00 178.83 178.88 1iwa h GLU 360 N 0.21 0.00 0.00 1.46 5.08 -1.21 -3.43 114.58 116.69 1iwa h GLU 360 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1iwa h GLU 360 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1iwa h GLU 360 CO -0.01 0.05 0.00 0.41 -1.00 0.00 0.00 179.01 178.46 1iwa n GLY 361 N 0.85 0.88 3.39 -3.84 0.00 -0.47 -4.58 105.19 101.42 1iwa n GLY 361 Ca 0.03 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 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 5.17 0.00 0.99 1.02 -1.13 -4.73 118.68 120.01 1iwa s LEU 362 Ca 0.00 -1.32 0.29 0.00 0.02 0.00 0.00 54.13 53.13 1iwa s LEU 362 Cb 0.00 -2.34 1.35 0.00 0.02 0.00 0.00 46.19 45.22 1iwa s LEU 362 CO 0.00 -1.17 1.93 0.49 0.02 0.00 0.00 176.35 177.62 1iwa n PHE 363 N 6.60 0.00 -4.42 0.29 3.01 -1.26 -0.62 117.46 121.06 1iwa n PHE 363 Ca -0.08 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.16 1iwa n PHE 363 Cb 0.43 -0.17 -0.13 0.00 -0.01 0.00 0.00 39.48 39.60 1iwa n PHE 363 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1iwa s PHE 364 N -2.41 1.37 0.37 1.38 0.08 -1.26 -4.89 117.98 112.62 1iwa s PHE 364 Ca 0.31 -0.36 -0.22 0.00 0.12 0.00 0.00 56.93 56.78 1iwa s PHE 364 Cb 0.20 -0.81 -0.10 0.00 -0.57 0.00 0.00 43.02 41.74 1iwa s PHE 364 CO 0.45 0.05 0.92 -0.51 -0.10 0.00 0.00 175.22 176.03 1iwa s ASP 365 N -1.17 7.08 -0.26 1.36 -0.00 -1.26 -3.74 116.67 118.68 1iwa s ASP 365 Ca 0.03 1.69 -0.09 0.00 -0.00 0.00 0.00 52.55 54.19 1iwa s ASP 365 Cb -0.08 -2.53 0.12 0.00 -0.00 0.00 0.00 42.92 40.42 1iwa s ASP 365 CO 0.01 -0.21 0.56 -0.32 -0.00 0.00 0.00 175.17 175.22 1iwa s MET 366 N -2.67 0.49 0.36 8.23 1.75 0.20 -4.93 119.30 122.72 1iwa s MET 366 Ca 0.56 1.29 -0.26 0.00 -1.25 0.00 0.00 55.69 56.03 1iwa s MET 366 Cb -0.13 0.67 -0.09 0.00 2.84 0.00 0.00 34.83 38.12 1iwa s MET 366 CO 0.18 -0.23 1.09 -1.21 -0.65 0.00 0.00 175.02 174.20 1iwa s GLU 367 N 2.79 4.30 0.00 4.11 0.41 -1.26 0.44 118.70 129.50 1iwa s GLU 367 Ca -0.04 1.69 0.23 0.00 -0.41 0.00 0.00 54.97 56.44 1iwa s GLU 367 Cb -0.12 -2.80 0.58 0.00 -1.78 0.00 0.00 34.13 30.02 1iwa s GLU 367 CO -0.17 -0.06 1.50 0.91 -0.49 0.00 0.00 175.26 176.96 1iwa n TRP 368 N 0.40 0.84 -3.70 1.61 7.02 -0.50 -4.83 117.44 118.28 1iwa n TRP 368 Ca 0.03 -0.42 -0.28 0.00 -1.02 0.00 0.00 57.50 55.81 1iwa n TRP 368 Cb 0.47 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 1iwa n TRP 368 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1iwa n ALA 369 N 1.62 -1.17 -1.81 6.99 0.00 -1.26 -1.55 120.51 123.33 1iwa n ALA 369 Ca 0.23 0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.59 1iwa n ALA 369 Cb 0.62 -3.60 -0.06 0.00 0.00 0.00 0.00 19.45 16.41 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 -2.56 -5.52 -4.77 0.00 7.64 -1.26 -4.90 113.62 102.25 1iwa n SER 370 Ca 0.02 0.35 -0.39 0.00 1.01 0.00 0.00 58.87 59.86 1iwa n SER 370 Cb 0.53 -4.73 -0.04 0.00 -1.01 0.00 0.00 64.21 58.97 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 -4.93 4.38 0.78 -3.43 1.43 -0.60 -4.98 118.68 111.33 1iwa s LEU 371 Ca 0.00 2.22 -0.14 0.00 -1.03 0.00 0.00 54.13 55.18 1iwa s LEU 371 Cb 0.00 -3.84 0.04 0.00 0.03 0.00 0.00 46.19 42.42 1iwa s LEU 371 CO 0.00 -0.33 1.02 0.54 0.23 0.00 0.00 176.35 177.81 1iwa n ARG 372 N 0.66 0.28 -2.85 1.70 1.74 -1.26 -4.96 116.66 111.97 1iwa n ARG 372 Ca 0.01 0.16 -0.38 0.00 -0.77 0.00 0.00 57.85 56.88 1iwa n ARG 372 Cb 0.46 -2.28 -0.06 0.00 -1.02 0.00 0.00 32.46 29.56 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 -3.71 4.60 -0.12 5.56 1.02 -1.26 -4.25 119.74 121.58 1iwa s LYS 373 Ca 0.72 1.27 -0.10 0.00 0.02 0.00 0.00 55.97 57.88 1iwa s LYS 373 Cb -0.31 -3.00 -0.05 0.00 -0.52 0.00 0.00 37.83 33.96 1iwa s LYS 373 CO 0.52 0.40 0.21 0.08 -0.92 0.00 0.00 175.35 175.64 1iwa s VAL 374 N -1.43 5.37 -0.47 3.17 1.01 -0.23 -2.00 120.40 125.82 1iwa s VAL 374 Ca 0.45 0.38 -0.26 0.00 0.00 0.00 0.00 61.98 62.55 1iwa s VAL 374 Cb -0.21 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.69 1iwa s VAL 374 CO 0.26 0.54 0.95 -0.32 0.00 0.00 0.00 175.10 176.52 1iwa s MET 375 N -0.50 3.53 0.61 2.72 1.75 0.92 -4.28 119.30 124.05 1iwa s MET 375 Ca 0.15 0.15 -0.19 0.00 -1.25 0.00 0.00 55.69 54.56 1iwa s MET 375 Cb -0.13 -3.94 -0.03 0.00 2.84 0.00 0.00 34.83 33.58 1iwa s MET 375 CO 0.04 -1.27 1.26 -1.25 -0.65 0.00 0.00 175.02 173.15 1iwa s PRO 376 N 3.85 2.80 -0.16 4.11 0.04 -1.26 -2.55 135.00 141.83 1iwa s PRO 376 Ca 0.37 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1iwa s PRO 376 Cb -0.10 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1iwa s PRO 376 CO 0.26 -1.38 -0.09 0.08 0.04 0.00 0.00 177.00 175.91 1iwa s VAL 377 N -1.48 1.34 -0.25 -0.36 1.01 -0.41 -1.71 120.40 118.54 1iwa s VAL 377 Ca 0.79 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 1iwa s VAL 377 Cb -0.34 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 1iwa s VAL 377 CO 0.37 0.28 0.23 0.00 0.00 0.00 0.00 175.10 175.98 1iwa s ALA 378 N 1.56 3.57 -0.25 5.51 0.00 -0.40 -2.06 121.76 129.69 1iwa s ALA 378 Ca 0.02 -0.90 -0.19 0.00 0.00 0.00 0.00 51.96 50.90 1iwa s ALA 378 Cb -0.14 -2.46 0.07 0.00 0.00 0.00 0.00 23.12 20.59 1iwa s ALA 378 CO -0.09 -0.37 0.65 0.45 0.00 0.00 0.00 175.76 176.40 1iwa s SER 379 N 1.34 -0.78 0.00 0.00 0.15 -1.26 -1.25 113.70 111.90 1iwa s SER 379 Ca 0.10 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.11 1iwa s SER 379 Cb -0.15 1.31 0.00 0.00 -1.71 0.00 0.00 66.02 65.48 1iwa s SER 379 CO 0.08 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1iwa n GLY 380 N 3.50 0.67 2.51 9.45 0.00 -1.26 -4.71 105.19 115.35 1iwa n GLY 380 Ca -0.17 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 1iwa n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iwa n GLY 381 N 0.00 0.07 3.68 -0.02 0.00 -1.26 0.47 105.19 108.13 1iwa n GLY 381 Ca 0.00 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 1iwa n GLY 381 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iwa s ILE 382 N -3.00 3.80 0.18 -0.61 -4.36 -1.26 -4.21 121.20 111.75 1iwa s ILE 382 Ca 0.23 -1.42 -0.14 0.00 -0.26 0.00 0.00 60.65 59.05 1iwa s ILE 382 Cb -0.10 -2.93 0.01 0.00 1.25 0.00 0.00 42.46 40.69 1iwa s ILE 382 CO 0.28 -0.14 0.41 -1.38 0.24 0.00 0.00 174.94 174.36 1iwa s HIS 383 N -1.79 0.09 0.41 1.37 -3.43 -1.26 -4.39 115.29 106.29 1iwa s HIS 383 Ca 0.28 -0.45 -0.27 0.00 -0.80 0.00 0.00 55.06 53.83 1iwa s HIS 383 Cb -0.09 0.20 -0.10 0.00 -1.43 0.00 0.00 32.58 31.15 1iwa s HIS 383 CO 0.19 -0.82 1.46 0.00 -2.00 0.00 0.00 174.74 173.57 1iwa n ALA 384 N -0.28 2.21 0.00 -1.38 0.00 -1.26 -2.29 120.51 117.50 1iwa n ALA 384 Ca -0.09 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1iwa n ALA 384 Cb 0.63 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 0.51 1.42 0.60 0.00 0.00 -1.26 -4.78 105.19 101.69 1iwa n GLY 385 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 1.65 -0.29 1.61 6.02 -0.97 -4.69 117.38 120.71 1iwa n GLN 386 Ca 0.00 -1.63 0.11 0.00 -0.01 0.00 0.00 57.00 55.47 1iwa n GLN 386 Cb 0.00 -1.27 0.27 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 2.41 0.33 -0.40 -1.09 4.05 -1.87 0.18 114.93 118.54 1iwa h MET 387 Ca 0.00 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.32 1iwa h MET 387 Cb 0.63 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.34 1iwa h MET 387 CO 0.00 0.22 -0.08 1.12 0.23 0.00 0.00 176.91 178.40 1iwa h HIS 388 N 0.34 0.74 -0.14 1.39 2.07 -1.88 -1.28 115.15 116.39 1iwa h HIS 388 Ca 0.52 -0.12 -0.07 0.00 -2.85 0.00 0.00 60.37 57.85 1iwa h HIS 388 Cb 0.96 -0.20 -0.00 0.00 2.57 0.00 0.00 27.41 30.75 1iwa h HIS 388 CO -0.19 0.75 -0.18 1.96 -3.07 0.00 0.00 177.93 177.20 1iwa h GLN 389 N 0.63 0.36 -0.16 5.12 4.20 -1.23 -1.53 115.11 122.52 1iwa h GLN 389 Ca 0.12 -0.21 0.05 0.00 0.06 0.00 0.00 58.65 58.66 1iwa h GLN 389 Cb 0.52 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 1iwa h GLN 389 CO 0.03 0.78 -0.19 -0.07 -0.67 0.00 0.00 178.83 178.71 1iwa h LEU 390 N -0.03 -0.59 -0.77 1.46 3.38 -0.55 0.22 115.31 118.42 1iwa h LEU 390 Ca 0.02 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1iwa h LEU 390 Cb 0.73 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1iwa h LEU 390 CO 0.04 -0.24 0.43 0.40 0.09 0.00 0.00 178.44 179.17 1iwa h ILE 391 N -0.23 1.23 -0.23 1.22 1.08 -1.26 0.29 117.51 119.61 1iwa h ILE 391 Ca 0.11 -0.56 -0.02 0.00 -0.39 0.00 0.00 64.86 64.00 1iwa h ILE 391 Cb 0.38 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 1iwa h ILE 391 CO -0.29 0.25 0.06 -0.74 -0.69 0.00 0.00 178.15 176.75 1iwa h HIS 392 N 1.06 0.38 0.21 1.37 2.76 -0.48 -0.94 115.15 119.51 1iwa h HIS 392 Ca 0.27 -0.04 -0.33 0.00 -2.20 0.00 0.00 60.37 58.07 1iwa h HIS 392 Cb 0.02 -0.11 0.02 0.00 1.55 0.00 0.00 27.41 28.90 1iwa h HIS 392 CO -0.00 0.45 -1.55 1.88 -1.30 0.00 0.00 177.93 177.41 1iwa h TYR 393 N 0.20 0.81 -0.02 5.26 0.05 -0.51 -3.38 116.97 119.37 1iwa h TYR 393 Ca 0.07 -0.59 0.00 0.00 0.05 0.00 0.00 58.73 58.26 1iwa h TYR 393 Cb 0.26 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.96 1iwa h TYR 393 CO 0.01 1.60 -0.32 1.28 -1.05 0.00 0.00 178.16 179.68 1iwa n LEU 394 N -3.71 1.99 0.00 3.88 4.77 1.00 -4.84 117.00 120.08 1iwa n LEU 394 Ca -0.21 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 1iwa n LEU 394 Cb 1.06 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 1iwa n LEU 394 CO 0.54 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 1iwa n GLY 395 N 1.38 -0.85 0.12 -0.72 0.00 -0.36 -4.54 105.19 100.22 1iwa n GLY 395 Ca 0.11 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 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 0.30 -5.35 1.61 4.81 -1.94 -3.43 114.58 110.57 1iwa h GLU 396 Ca 0.00 -0.51 -0.65 0.00 -0.13 0.00 0.00 59.36 58.07 1iwa h GLU 396 Cb 0.00 0.19 -0.15 0.00 0.63 0.00 0.00 28.75 29.42 1iwa h GLU 396 CO 0.00 1.24 0.86 -0.51 -0.73 0.00 0.00 179.01 179.87 1iwa s ASP 397 N -7.08 6.46 -0.11 1.04 1.01 -1.26 -2.22 116.67 114.51 1iwa s ASP 397 Ca -0.17 -1.60 -0.31 0.00 0.71 0.00 0.00 52.55 51.19 1iwa s ASP 397 Cb 0.03 -2.44 0.12 0.00 1.01 0.00 0.00 42.92 41.65 1iwa s ASP 397 CO 0.81 -1.27 1.01 0.54 0.21 0.00 0.00 175.17 176.47 1iwa s VAL 398 N 3.53 0.00 -0.34 -1.27 0.11 -1.26 -4.29 120.40 116.88 1iwa s VAL 398 Ca 0.32 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.28 1iwa s VAL 398 Cb -0.08 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.79 1iwa s VAL 398 CO -0.03 0.00 0.14 -0.69 -3.33 0.00 0.00 175.10 171.19 1iwa s VAL 399 N -2.20 4.26 -0.34 2.04 1.01 -0.69 -0.57 120.40 123.91 1iwa s VAL 399 Ca 0.04 -0.80 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 1iwa s VAL 399 Cb -0.01 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 33.07 1iwa s VAL 399 CO -0.04 -0.09 0.84 -0.76 0.00 0.00 0.00 175.10 175.05 1iwa s LEU 400 N 1.52 4.07 -0.23 3.92 1.02 0.86 -1.27 118.68 128.57 1iwa s LEU 400 Ca 0.02 0.57 -0.06 0.00 0.02 0.00 0.00 54.13 54.68 1iwa s LEU 400 Cb -0.18 -3.14 -0.03 0.00 0.02 0.00 0.00 46.19 42.86 1iwa s LEU 400 CO 0.05 -0.73 0.04 -1.10 0.02 0.00 0.00 176.35 174.63 1iwa s GLN 401 N 3.18 3.66 -0.34 1.70 -0.21 -0.38 -0.53 119.66 126.73 1iwa s GLN 401 Ca 0.34 -0.48 -0.00 0.00 0.02 0.00 0.00 55.36 55.24 1iwa s GLN 401 Cb -0.13 -3.23 0.08 0.00 1.00 0.00 0.00 33.01 30.73 1iwa s GLN 401 CO 0.16 -0.09 0.07 -0.06 -2.12 0.00 0.00 175.29 173.25 1iwa s PHE 402 N 1.31 3.50 0.00 0.91 0.40 0.45 -4.36 117.98 120.19 1iwa s PHE 402 Ca 0.05 -2.38 0.00 0.00 -0.60 0.00 0.00 56.93 53.99 1iwa s PHE 402 Cb -0.15 -2.66 0.00 0.00 0.51 0.00 0.00 43.02 40.73 1iwa s PHE 402 CO 0.03 -0.90 0.00 0.41 0.70 0.00 0.00 175.22 175.45 1iwa n GLY 403 N 4.50 1.71 0.26 4.36 0.00 -1.26 -3.44 105.19 111.32 1iwa n GLY 403 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 2.00 -0.02 0.00 -1.91 -0.15 103.07 102.99 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 -1.33 0.00 0.00 0.00 176.54 175.21 1iwa h GLY 405 N 0.11 0.00 0.00 4.60 0.00 -1.77 0.33 103.07 106.34 1iwa h GLY 405 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1iwa h GLY 405 CO 0.00 0.00 -1.26 2.41 0.00 0.00 0.00 176.54 177.69 1iwa n THR 406 N -2.70 1.29 0.20 4.70 -1.04 -0.18 -4.66 114.28 111.90 1iwa n THR 406 Ca -0.01 0.02 0.07 0.00 -2.04 0.00 0.00 64.05 62.09 1iwa n THR 406 Cb 0.13 -1.99 0.38 0.00 -1.82 0.00 0.00 70.33 67.03 1iwa n THR 406 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1iwa h ILE 407 N -0.71 0.75 0.00 12.58 2.04 -1.28 -3.11 117.51 127.78 1iwa h ILE 407 Ca -0.20 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.30 1iwa h ILE 407 Cb 1.00 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1iwa h ILE 407 CO -0.12 0.31 0.00 0.61 0.00 0.00 0.00 178.15 178.95 1iwa n GLY 408 N 0.19 -1.21 3.66 5.37 0.00 0.11 -4.69 105.19 108.63 1iwa n GLY 408 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1iwa n GLY 408 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1iwa n HIS 409 N -1.86 2.20 0.30 1.61 -0.00 -1.18 -4.87 115.22 111.42 1iwa n HIS 409 Ca 0.03 0.33 0.19 0.00 -0.00 0.00 0.00 57.72 58.27 1iwa n HIS 409 Cb 0.23 -2.51 0.90 0.00 -0.00 0.00 0.00 29.99 28.61 1iwa n HIS 409 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1iwa h PRO 410 N 5.49 0.00 -0.34 1.57 0.13 -1.93 -2.75 132.00 134.16 1iwa h PRO 410 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1iwa h PRO 410 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1iwa h PRO 410 CO 0.85 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.37 1iwa n ASP 411 N -2.89 3.29 0.00 1.44 10.43 -1.26 -5.06 116.55 122.49 1iwa n ASP 411 Ca -0.01 -1.97 0.00 0.00 2.57 0.00 0.00 54.79 55.38 1iwa n ASP 411 Cb 0.16 -0.22 0.00 0.00 1.84 0.00 0.00 41.12 42.90 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 1.47 2.78 0.24 0.44 0.00 -1.04 -4.65 105.19 104.43 1iwa n GLY 412 Ca 0.19 -2.03 -0.05 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 1.08 -0.62 -0.61 2.04 -1.82 -2.19 117.51 115.39 1iwa h ILE 413 Ca 0.00 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1iwa h ILE 413 Cb 0.00 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1iwa h ILE 413 CO 0.00 0.13 0.41 1.56 0.00 0.00 0.00 178.15 180.25 1iwa h GLN 414 N 0.71 0.82 -0.37 2.37 4.20 -1.90 -1.72 115.11 119.22 1iwa h GLN 414 Ca 0.23 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1iwa h GLN 414 Cb 0.01 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1iwa h GLN 414 CO -0.10 0.54 0.24 0.00 -0.67 0.00 0.00 178.83 178.85 1iwa h ALA 415 N 1.22 0.47 -0.56 3.87 0.00 -1.77 -1.20 119.26 121.29 1iwa h ALA 415 Ca 0.23 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1iwa h ALA 415 Cb -0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1iwa h ALA 415 CO -0.05 -0.07 0.30 0.78 0.00 0.00 0.00 179.25 180.21 1iwa h GLY 416 N 0.50 0.80 0.93 0.00 0.00 -1.01 -0.26 103.07 104.04 1iwa h GLY 416 Ca 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1iwa h GLY 416 CO -0.03 0.13 -0.11 0.00 0.00 0.00 0.00 176.54 176.53 1iwa h ALA 417 N 1.30 -0.32 -0.98 3.60 0.00 -0.98 -2.47 119.26 119.41 1iwa h ALA 417 Ca 0.25 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1iwa h ALA 417 Cb 0.15 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1iwa h ALA 417 CO -0.16 -0.64 0.63 1.15 0.00 0.00 0.00 179.25 180.22 1iwa h THR 418 N -0.39 1.03 -0.19 0.00 2.02 -0.85 0.22 112.91 114.75 1iwa h THR 418 Ca -0.03 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 66.81 1iwa h THR 418 Cb 0.30 -0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.52 1iwa h THR 418 CO 0.05 0.20 -0.04 0.00 0.37 0.00 0.00 175.52 176.10 1iwa h ALA 419 N 1.50 0.13 -0.43 6.16 0.00 -0.79 0.12 119.26 125.95 1iwa h ALA 419 Ca 0.45 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.33 1iwa h ALA 419 Cb 0.29 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1iwa h ALA 419 CO -0.20 -0.47 -0.10 -0.91 0.00 0.00 0.00 179.25 177.57 1iwa h ASN 420 N 0.01 0.83 -0.35 0.00 2.35 -0.87 -1.68 115.58 115.87 1iwa h ASN 420 Ca 0.09 -0.36 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1iwa h ASN 420 Cb 0.13 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1iwa h ASN 420 CO -0.19 1.00 0.21 -0.09 -1.65 0.00 0.00 177.43 176.71 1iwa h ARG 421 N 0.65 0.47 -0.41 0.81 9.65 -0.66 -0.80 114.38 124.10 1iwa h ARG 421 Ca 0.11 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.92 1iwa h ARG 421 Cb 0.63 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.10 1iwa h ARG 421 CO 0.04 0.36 0.16 0.28 2.80 0.00 0.00 179.97 183.60 1iwa h VAL 422 N 0.45 1.20 -0.32 0.20 2.07 -0.72 -2.10 116.25 117.04 1iwa h VAL 422 Ca 0.13 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.07 1iwa h VAL 422 Cb 0.00 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1iwa h VAL 422 CO -0.02 0.23 0.03 0.00 0.02 0.00 0.00 177.57 177.82 1iwa h ALA 423 N 1.00 0.31 0.40 1.67 0.00 -1.05 -1.95 119.26 119.65 1iwa h ALA 423 Ca 0.14 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1iwa h ALA 423 Cb 0.20 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1iwa h ALA 423 CO -0.01 -0.38 -0.31 1.25 0.00 0.00 0.00 179.25 179.80 1iwa h LEU 424 N 0.13 -0.81 -0.56 0.00 5.85 -0.88 -2.48 115.31 116.56 1iwa h LEU 424 Ca 0.15 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1iwa h LEU 424 Cb 0.19 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1iwa h LEU 424 CO -0.23 -0.46 0.34 -0.33 -0.34 0.00 0.00 178.44 177.41 1iwa h GLU 425 N -0.71 0.65 -0.47 1.25 5.08 -1.27 -2.36 114.58 116.76 1iwa h GLU 425 Ca -0.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1iwa h GLU 425 Cb 0.61 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1iwa h GLU 425 CO -0.00 0.43 0.25 0.00 -1.00 0.00 0.00 179.01 178.68 1iwa h ALA 426 N 1.25 1.56 -0.16 3.43 0.00 -1.31 -0.60 119.26 123.42 1iwa h ALA 426 Ca 0.23 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1iwa h ALA 426 Cb 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1iwa h ALA 426 CO -0.10 0.37 -0.34 1.98 0.00 0.00 0.00 179.25 181.15 1iwa h MET 427 N 0.65 0.52 -0.11 0.00 1.85 -0.97 -1.79 114.93 115.07 1iwa h MET 427 Ca 0.17 -0.34 -0.13 0.00 -0.61 0.00 0.00 59.70 58.79 1iwa h MET 427 Cb 0.03 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.10 1iwa h MET 427 CO -0.03 0.95 -0.50 -0.84 -0.40 0.00 0.00 176.91 176.10 1iwa h ILE 428 N 0.15 1.34 -0.71 1.77 3.07 -1.29 0.11 117.51 121.96 1iwa h ILE 428 Ca 0.00 -1.73 0.03 0.00 1.55 0.00 0.00 64.86 64.72 1iwa h ILE 428 Cb 0.95 1.81 -0.05 0.00 -0.27 0.00 0.00 36.82 39.26 1iwa h ILE 428 CO 0.08 0.52 0.44 0.25 -1.05 0.00 0.00 178.15 178.38 1iwa h LEU 429 N 0.22 0.71 -0.53 0.16 7.12 -1.05 0.48 115.31 122.42 1iwa h LEU 429 Ca 0.01 0.00 -0.13 0.00 0.13 0.00 0.00 57.88 57.89 1iwa h LEU 429 Cb 0.96 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.92 1iwa h LEU 429 CO 0.08 0.49 -0.23 0.00 -0.13 0.00 0.00 178.44 178.65 1iwa h ALA 430 N 1.31 0.73 -0.18 1.25 0.00 -0.82 -1.85 119.26 119.69 1iwa h ALA 430 Ca 0.29 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1iwa h ALA 430 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1iwa h ALA 430 CO -0.12 0.67 0.11 -0.09 0.00 0.00 0.00 179.25 179.82 1iwa h ARG 431 N 0.81 0.25 0.00 0.00 2.43 0.10 -2.00 114.38 115.97 1iwa h ARG 431 Ca 0.10 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1iwa h ARG 431 Cb 0.80 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1iwa h ARG 431 CO 0.07 0.20 -0.10 -0.91 -1.51 0.00 0.00 179.97 177.72 1iwa h ASN 432 N 0.22 0.00 -0.17 -3.80 4.21 0.03 -0.60 115.58 115.46 1iwa h ASN 432 Ca 0.07 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.58 1iwa h ASN 432 Cb 0.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 1iwa h ASN 432 CO -0.01 0.10 0.00 -0.62 -1.29 0.00 0.00 177.43 175.60 1iwa n GLU 433 N -3.89 1.99 -2.68 0.81 1.02 -0.71 -4.87 120.64 112.31 1iwa n GLU 433 Ca -0.02 -0.87 -0.18 0.00 -0.02 0.00 0.00 57.16 56.07 1iwa n GLU 433 Cb 0.19 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 0.17 -4.78 -4.88 1.62 2.85 -0.23 -4.98 115.26 105.02 1iwa n ASN 434 Ca 0.08 -0.04 -0.31 0.00 -0.11 0.00 0.00 54.58 54.20 1iwa n ASN 434 Cb 0.45 -3.98 -0.05 0.00 1.24 0.00 0.00 39.78 37.45 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 -5.31 3.76 -1.33 1.20 0.52 -0.83 -4.96 118.95 112.00 1iwa s ARG 435 Ca 0.12 0.24 -0.17 0.00 -0.52 0.00 0.00 55.73 55.40 1iwa s ARG 435 Cb -0.06 -2.60 0.03 0.00 0.52 0.00 0.00 34.95 32.84 1iwa s ARG 435 CO 0.15 0.24 1.98 -3.47 0.02 0.00 0.00 175.30 174.21 1iwa n ASP 436 N -0.52 4.20 0.33 0.23 4.64 -1.26 -4.63 116.55 119.55 1iwa n ASP 436 Ca 0.00 -2.86 0.21 0.00 -1.38 0.00 0.00 54.79 50.77 1iwa n ASP 436 Cb 0.53 -1.67 1.15 0.00 -1.04 0.00 0.00 41.12 40.09 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 7.04 0.00 0.21 -0.67 -0.00 -1.93 -1.22 116.97 120.40 1iwa h TYR 437 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 59.21 1iwa h TYR 437 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.49 1iwa h TYR 437 CO 1.42 0.00 -0.10 1.25 -0.00 0.00 0.00 178.16 180.73 1iwa h LEU 438 N 0.00 -0.24 0.10 0.10 6.46 -1.85 0.45 115.31 120.33 1iwa h LEU 438 Ca 0.00 -0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1iwa h LEU 438 Cb 0.09 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1iwa h LEU 438 CO -0.00 0.09 -0.05 0.74 -0.62 0.00 0.00 178.44 178.60 1iwa h THR 439 N -0.58 1.11 0.00 1.05 2.02 -1.85 -3.15 112.91 111.51 1iwa h THR 439 Ca -0.03 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1iwa h THR 439 Cb 0.43 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1iwa h THR 439 CO 0.05 0.21 0.00 -0.62 0.37 0.00 0.00 175.52 175.52 1iwa n GLU 440 N -4.96 0.58 -0.31 6.66 1.02 -0.51 -4.40 120.64 118.72 1iwa n GLU 440 Ca -0.09 0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 56.99 1iwa n GLU 440 Cb 0.23 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.07 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 0.96 -2.72 0.38 0.62 0.00 0.16 -0.20 105.19 104.39 1iwa n GLY 441 Ca 0.16 1.03 0.15 0.00 0.00 0.00 0.00 46.02 47.36 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 0.54 0.01 1.61 0.11 -1.83 -0.62 132.00 131.83 1iwa h PRO 442 Ca 0.12 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.99 1iwa h PRO 442 Cb 0.30 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1iwa h PRO 442 CO -0.69 0.36 -0.92 0.93 -0.21 0.00 0.00 178.00 177.47 1iwa h GLU 443 N 0.56 0.16 -0.71 1.05 4.39 -1.31 -1.14 114.58 117.58 1iwa h GLU 443 Ca 0.44 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.92 1iwa h GLU 443 Cb 0.88 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.55 1iwa h GLU 443 CO -0.19 0.97 0.28 0.82 -1.16 0.00 0.00 179.01 179.73 1iwa h ILE 444 N 0.08 1.25 -0.23 3.13 2.04 0.93 0.12 117.51 124.83 1iwa h ILE 444 Ca -0.04 -0.78 -0.19 0.00 1.00 0.00 0.00 64.86 64.85 1iwa h ILE 444 Cb 1.57 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1iwa h ILE 444 CO 0.14 0.31 -0.62 -0.07 0.00 0.00 0.00 178.15 177.91 1iwa h LEU 445 N 1.01 0.88 -0.01 1.44 3.38 -1.33 -2.20 115.31 118.50 1iwa h LEU 445 Ca 0.24 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1iwa h LEU 445 Cb 0.21 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1iwa h LEU 445 CO -0.02 1.29 -0.28 -0.09 0.09 0.00 0.00 178.44 179.44 1iwa h ARG 446 N 0.58 -0.40 0.62 1.13 9.65 -0.72 0.15 114.38 125.38 1iwa h ARG 446 Ca -0.01 0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.87 1iwa h ARG 446 Cb 1.22 0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.89 1iwa h ARG 446 CO 0.13 -0.27 -0.35 1.49 2.80 0.00 0.00 179.97 183.77 1iwa h GLU 447 N -0.42 -0.88 -0.82 0.20 4.57 -0.76 -2.83 114.58 113.65 1iwa h GLU 447 Ca 0.06 0.06 0.14 0.00 -1.18 0.00 0.00 59.36 58.45 1iwa h GLU 447 Cb 0.51 0.20 -0.09 0.00 -0.16 0.00 0.00 28.75 29.20 1iwa h GLU 447 CO -0.24 -0.58 0.40 0.00 -1.18 0.00 0.00 179.01 177.40 1iwa h ALA 448 N -0.57 1.21 0.00 2.92 0.00 -1.26 0.35 119.26 121.90 1iwa h ALA 448 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1iwa h ALA 448 Cb 0.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1iwa h ALA 448 CO 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.22 1iwa h ALA 449 N 1.55 1.00 -0.08 0.00 0.00 -0.46 -1.92 119.26 119.36 1iwa h ALA 449 Ca 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1iwa h ALA 449 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1iwa h ALA 449 CO -0.37 0.00 -0.06 0.87 0.00 0.00 0.00 179.25 179.69 1iwa h LYS 450 N 0.00 0.11 0.00 0.00 1.57 -0.73 -2.91 116.57 114.61 1iwa h LYS 450 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1iwa h LYS 450 Cb 0.08 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1iwa h LYS 450 CO 0.00 0.18 -1.56 2.41 -0.57 0.00 0.00 179.45 179.91 1iwa n THR 451 N -4.41 0.31 -3.95 -0.16 -1.04 -0.73 -4.84 114.28 99.47 1iwa n THR 451 Ca -0.02 -0.53 -0.31 0.00 -2.04 0.00 0.00 64.05 61.16 1iwa n THR 451 Cb 0.17 -0.17 -0.15 0.00 -1.82 0.00 0.00 70.33 68.36 1iwa n THR 451 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iwa h GLY 453 N 7.89 0.63 0.45 0.00 0.00 -1.89 -1.10 103.07 109.06 1iwa h GLY 453 Ca -0.15 -0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.02 1iwa h GLY 453 CO 0.44 0.19 -0.01 0.00 0.00 0.00 0.00 176.54 177.16 1iwa h ALA 454 N 1.71 0.29 -0.09 3.60 0.00 -1.92 0.53 119.26 123.38 1iwa h ALA 454 Ca 0.21 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1iwa h ALA 454 Cb 0.14 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1iwa h ALA 454 CO -0.05 -0.41 -0.05 1.25 0.00 0.00 0.00 179.25 179.98 1iwa h LEU 455 N 0.08 0.19 -0.15 0.00 5.85 -1.67 -1.61 115.31 118.00 1iwa h LEU 455 Ca 0.16 -0.43 0.05 0.00 0.84 0.00 0.00 57.88 58.50 1iwa h LEU 455 Cb 0.23 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1iwa h LEU 455 CO -0.28 0.58 -0.25 -0.09 -0.34 0.00 0.00 178.44 178.06 1iwa h ARG 456 N -0.19 -0.29 -0.90 1.25 2.43 -0.82 0.55 114.38 116.40 1iwa h ARG 456 Ca 0.02 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.29 1iwa h ARG 456 Cb 0.51 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.06 1iwa h ARG 456 CO 0.01 -0.20 0.56 1.15 -1.51 0.00 0.00 179.97 179.99 1iwa h THR 457 N -0.30 1.00 -0.47 0.20 2.02 0.05 -0.61 112.91 114.79 1iwa h THR 457 Ca 0.11 -0.33 -0.12 0.00 0.77 0.00 0.00 66.41 66.83 1iwa h THR 457 Cb 0.47 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1iwa h THR 457 CO -0.33 0.18 -0.19 0.00 0.37 0.00 0.00 175.52 175.55 1iwa h ALA 458 N 1.45 0.78 -0.37 6.16 0.00 -0.12 -2.33 119.26 124.83 1iwa h ALA 458 Ca 0.41 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1iwa h ALA 458 Cb 0.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1iwa h ALA 458 CO -0.21 0.66 -0.01 -0.07 0.00 0.00 0.00 179.25 179.62 1iwa h LEU 459 N 0.81 0.55 -0.67 0.00 3.38 0.95 -2.50 115.31 117.83 1iwa h LEU 459 Ca 0.11 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1iwa h LEU 459 Cb 0.74 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1iwa h LEU 459 CO 0.06 0.63 -0.45 0.44 0.09 0.00 0.00 178.44 179.20 1iwa h ASP 460 N 0.56 0.00 0.02 -0.43 3.32 -0.85 -1.29 116.42 117.75 1iwa h ASP 460 Ca 0.12 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1iwa h ASP 460 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1iwa h ASP 460 CO 0.01 0.45 -0.14 0.25 -1.72 0.00 0.00 179.24 178.09 1iwa h LEU 461 N 0.00 0.09 -3.09 1.55 6.46 -1.00 -3.39 115.31 115.93 1iwa h LEU 461 Ca -0.00 -0.95 0.00 0.00 -0.12 0.00 0.00 57.88 56.80 1iwa h LEU 461 Cb 1.07 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.97 1iwa h LEU 461 CO 0.06 1.04 0.00 0.79 -0.62 0.00 0.00 178.44 179.71 1iwa n TRP 462 N -4.54 0.70 -0.30 1.25 8.01 -1.01 -4.71 117.44 116.84 1iwa n TRP 462 Ca -0.11 -0.72 0.10 0.00 -1.31 0.00 0.00 57.50 55.47 1iwa n TRP 462 Cb 0.53 -0.19 0.26 0.00 -2.01 0.00 0.00 31.31 29.90 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 1.79 0.51 -0.39 -0.99 3.64 -1.43 -1.57 116.57 118.14 1iwa h LYS 463 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1iwa h LYS 463 Cb 1.12 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1iwa h LYS 463 CO 0.12 0.34 0.00 -0.25 -2.27 0.00 0.00 179.45 177.39 1iwa n ASP 464 N -4.94 2.57 -4.67 4.20 10.43 -1.26 -4.92 116.55 117.95 1iwa n ASP 464 Ca 0.19 -1.92 -0.43 0.00 2.57 0.00 0.00 54.79 55.21 1iwa n ASP 464 Cb 0.54 -0.25 -0.02 0.00 1.84 0.00 0.00 41.12 43.22 1iwa n ASP 464 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1iwa s ILE 465 N -1.49 4.72 0.23 0.53 -1.09 -0.59 -5.02 121.20 118.49 1iwa s ILE 465 Ca 0.34 2.02 0.02 0.00 -2.23 0.00 0.00 60.65 60.80 1iwa s ILE 465 Cb 0.19 -4.30 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 1iwa s ILE 465 CO 0.26 -0.08 0.06 0.28 -1.23 0.00 0.00 174.94 174.23 1iwa s THR 466 N 2.58 0.62 -0.40 2.92 -1.32 -1.26 -5.06 115.64 113.71 1iwa s THR 466 Ca 0.47 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.98 1iwa s THR 466 Cb -0.17 -2.47 0.16 0.00 -1.51 0.00 0.00 72.50 68.52 1iwa s THR 466 CO 0.13 -0.16 0.34 -0.36 -2.21 0.00 0.00 174.62 172.36 1iwa s PHE 467 N -3.71 0.67 -0.44 9.09 0.08 -1.26 -5.07 117.98 117.34 1iwa s PHE 467 Ca 0.33 -1.90 -0.09 0.00 0.12 0.00 0.00 56.93 55.39 1iwa s PHE 467 Cb 0.07 -0.77 0.10 0.00 -0.57 0.00 0.00 43.02 41.85 1iwa s PHE 467 CO 0.10 -0.88 0.30 -0.80 -0.10 0.00 0.00 175.22 173.85 1iwa s ASN 468 N 0.47 5.66 0.03 1.36 -0.87 -1.26 -4.87 114.94 115.46 1iwa s ASN 468 Ca 0.28 -1.70 0.00 0.00 -1.57 0.00 0.00 52.86 49.87 1iwa s ASN 468 Cb -0.04 -1.99 -0.03 0.00 -0.02 0.00 0.00 41.25 39.17 1iwa s ASN 468 CO -0.13 -0.61 -0.04 -0.31 -2.57 0.00 0.00 177.10 173.45 1iwa s TYR 469 N 1.39 0.39 0.28 2.20 1.51 -1.26 -5.13 117.35 116.73 1iwa s TYR 469 Ca 0.04 -0.65 -0.29 0.00 -1.01 0.00 0.00 57.07 55.15 1iwa s TYR 469 Cb -0.24 -0.27 -0.10 0.00 -0.11 0.00 0.00 41.96 41.23 1iwa s TYR 469 CO 0.01 -0.22 1.39 0.99 -1.11 0.00 0.00 175.55 176.61 1iwa s THR 470 N -2.05 2.66 0.40 -0.71 2.01 -1.26 -4.98 115.64 111.70 1iwa s THR 470 Ca -0.09 0.59 -0.23 0.00 0.31 0.00 0.00 61.69 62.27 1iwa s THR 470 Cb -0.06 -3.38 -0.10 0.00 0.01 0.00 0.00 72.50 68.98 1iwa s THR 470 CO -0.03 0.11 0.99 -0.44 -0.69 0.00 0.00 174.62 174.57 1iwa s SER 471 N 0.03 6.92 -0.14 3.53 0.01 -1.26 -4.97 113.70 117.82 1iwa s SER 471 Ca 0.55 1.87 0.03 0.00 1.31 0.00 0.00 55.95 59.71 1iwa s SER 471 Cb -0.41 -2.57 -0.23 0.00 0.21 0.00 0.00 66.02 63.02 1iwa s SER 471 CO 0.48 -0.37 0.26 0.35 0.41 0.00 0.00 173.24 174.37 1iwa n THR 472 N -0.16 1.62 -3.19 1.44 -2.24 -1.26 -4.62 114.28 105.87 1iwa n THR 472 Ca 0.05 -0.70 -0.45 0.00 -2.27 0.00 0.00 64.05 60.68 1iwa n THR 472 Cb 0.51 -1.32 -0.01 0.00 -2.10 0.00 0.00 70.33 67.41 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 -6.49 6.96 0.19 3.42 2.15 -1.26 -4.23 116.67 117.41 1iwa s ASP 473 Ca -0.19 -2.89 0.06 0.00 0.43 0.00 0.00 52.55 49.96 1iwa s ASP 473 Cb 0.07 -2.28 -0.04 0.00 -0.30 0.00 0.00 42.92 40.38 1iwa s ASP 473 CO 0.75 -0.61 0.12 -0.89 -0.17 0.00 0.00 175.17 174.37 1iwa s THR 474 N 0.48 4.33 0.37 1.71 2.01 -1.26 -4.64 115.64 118.65 1iwa s THR 474 Ca 0.29 -1.23 -0.25 0.00 0.31 0.00 0.00 61.69 60.81 1iwa s THR 474 Cb -0.08 -3.24 -0.09 0.00 0.01 0.00 0.00 72.50 69.11 1iwa s THR 474 CO -0.07 -0.17 1.09 -0.55 -0.69 0.00 0.00 174.62 174.23 1iwa s SER 475 N -3.25 6.81 0.00 3.53 0.15 -1.26 -4.96 113.70 114.71 1iwa s SER 475 Ca 0.31 2.16 0.26 0.00 0.70 0.00 0.00 55.95 59.37 1iwa s SER 475 Cb -0.09 -2.60 0.65 0.00 -1.71 0.00 0.00 66.02 62.27 1iwa s SER 475 CO 0.23 -0.46 1.50 0.47 1.20 0.00 0.00 173.24 176.18 1iwa n ASP 476 N 0.22 1.05 -2.54 5.45 8.00 -1.26 -4.31 116.55 123.15 1iwa n ASP 476 Ca 0.04 -0.87 -0.18 0.00 0.71 0.00 0.00 54.79 54.49 1iwa n ASP 476 Cb 0.48 0.19 0.02 0.00 -0.02 0.00 0.00 41.12 41.78 1iwa n ASP 476 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1iwa n PHE 477 N -0.71 2.33 0.19 1.24 3.01 -1.26 -4.72 117.46 117.54 1iwa n PHE 477 Ca 0.11 -2.87 0.02 0.00 1.01 0.00 0.00 57.45 55.72 1iwa n PHE 477 Cb 0.36 -0.23 0.02 0.00 -0.01 0.00 0.00 39.48 39.62 1iwa n PHE 477 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10