#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 1.47 -1.67 1.09 3.00 -1.26 -5.01 116.66 114.28 1iwa n ARG 7 Ca 0.00 -1.13 -0.43 0.00 -0.00 0.00 0.00 57.85 56.29 1iwa n ARG 7 Cb 0.00 -1.28 -0.01 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 0.41 2.06 -2.26 5.15 5.41 -1.26 -4.97 119.36 123.90 1iwa n ILE 8 Ca 0.08 -0.50 -0.32 0.00 1.00 0.00 0.00 62.75 63.01 1iwa n ILE 8 Cb 0.36 -1.42 -0.02 0.00 -0.71 0.00 0.00 39.64 37.85 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 -1.84 3.82 -0.38 0.38 2.47 -1.26 -5.07 119.74 117.86 1iwa s LYS 9 Ca 0.57 0.94 0.03 0.00 -1.56 0.00 0.00 55.97 55.95 1iwa s LYS 9 Cb -0.59 -2.12 0.16 0.00 -1.46 0.00 0.00 37.83 33.82 1iwa s LYS 9 CO 0.61 -0.38 0.37 1.21 0.16 0.00 0.00 175.35 177.32 1iwa s ASN 10 N -3.26 1.31 0.00 1.43 3.84 -1.26 -4.61 114.94 112.39 1iwa s ASN 10 Ca 0.59 -1.81 0.00 0.00 0.21 0.00 0.00 52.86 51.85 1iwa s ASN 10 Cb -0.11 0.41 0.00 0.00 -0.55 0.00 0.00 41.25 41.00 1iwa s ASN 10 CO 0.36 -0.25 0.00 -1.54 -2.79 0.00 0.00 177.10 172.88 1iwa n SER 11 N 4.02 0.00 0.22 -4.21 3.41 -1.26 -4.93 113.62 110.87 1iwa n SER 11 Ca 0.13 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.80 1iwa n SER 11 Cb 0.45 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.90 1iwa n SER 11 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1iwa h ARG 12 N 0.00 0.00 -0.72 4.33 9.65 -2.02 -2.95 114.38 122.67 1iwa h ARG 12 Ca 0.00 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.53 1iwa h ARG 12 Cb 0.00 0.00 -0.21 0.00 -1.39 0.00 0.00 29.97 28.37 1iwa h ARG 12 CO 0.00 0.23 0.33 0.66 2.80 0.00 0.00 179.97 183.99 1iwa n TYR 13 N -4.10 2.24 -3.36 2.20 4.02 -1.26 -4.94 117.16 111.97 1iwa n TYR 13 Ca -0.02 -1.65 -0.38 0.00 -0.01 0.00 0.00 57.90 55.84 1iwa n TYR 13 Cb 0.30 -0.74 -0.06 0.00 -0.02 0.00 0.00 39.34 38.82 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 -3.23 4.25 0.18 -0.72 -1.05 -1.12 -4.38 118.70 112.63 1iwa s GLU 14 Ca 0.52 0.44 -0.22 0.00 -0.15 0.00 0.00 54.97 55.57 1iwa s GLU 14 Cb 0.45 -3.38 -0.13 0.00 -0.44 0.00 0.00 34.13 30.62 1iwa s GLU 14 CO 0.07 0.30 0.37 0.43 0.95 0.00 0.00 175.26 177.39 1iwa n SER 15 N 3.18 -1.14 0.00 0.83 7.64 -1.26 -4.88 113.62 117.98 1iwa n SER 15 Ca -0.09 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1iwa n SER 15 Cb 0.52 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 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 1.62 4.26 3.82 0.23 0.00 -1.26 -5.01 105.19 108.86 1iwa n GLY 16 Ca 0.14 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.14 4.99 0.02 1.61 1.01 -1.26 -1.99 120.40 122.64 1iwa s VAL 17 Ca 0.00 0.91 -0.04 0.00 0.00 0.00 0.00 61.98 62.85 1iwa s VAL 17 Cb 0.00 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1iwa s VAL 17 CO 0.00 0.56 0.05 0.27 0.00 0.00 0.00 175.10 175.98 1iwa s ILE 18 N -0.97 0.12 0.51 2.22 -4.36 -1.26 -4.99 121.20 112.47 1iwa s ILE 18 Ca 0.25 -0.95 -0.22 0.00 -0.26 0.00 0.00 60.65 59.46 1iwa s ILE 18 Cb -0.17 -0.56 -0.07 0.00 1.25 0.00 0.00 42.46 42.91 1iwa s ILE 18 CO 0.14 -0.53 1.24 -0.81 0.24 0.00 0.00 174.94 175.22 1iwa n PRO 19 N 1.24 1.61 -0.29 0.37 -0.04 -1.26 -4.84 135.00 131.79 1iwa n PRO 19 Ca -0.22 0.59 0.04 0.00 -0.04 0.00 0.00 63.50 63.86 1iwa n PRO 19 Cb 0.56 -2.41 0.24 0.00 -0.04 0.00 0.00 33.50 31.86 1iwa n PRO 19 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1iwa h TYR 20 N 1.48 1.03 0.00 0.54 0.05 -1.91 0.43 116.97 118.59 1iwa h TYR 20 Ca -0.49 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.32 1iwa h TYR 20 Cb 1.31 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 38.71 1iwa h TYR 20 CO 0.45 0.55 0.00 0.00 -1.05 0.00 0.00 178.16 178.11 1iwa h ALA 21 N 1.51 1.00 -0.00 3.88 0.00 -1.87 -0.75 119.26 123.03 1iwa h ALA 21 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1iwa h ALA 21 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1iwa h ALA 21 CO -0.13 0.00 -0.83 1.63 0.00 0.00 0.00 179.25 179.92 1iwa n LYS 22 N -2.94 0.48 -0.00 0.00 4.01 0.11 -4.26 118.16 115.55 1iwa n LYS 22 Ca -0.03 -0.27 0.14 0.00 -0.51 0.00 0.00 58.31 57.64 1iwa n LYS 22 Cb 0.07 -1.47 0.57 0.00 -0.51 0.00 0.00 35.03 33.70 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 -1.08 1.58 0.00 1.97 2.81 -0.29 -4.90 117.12 117.21 1iwa n MET 22 Ca 0.05 -0.84 0.00 0.00 -1.81 0.00 0.00 57.70 55.10 1iwa n MET 22 Cb 0.36 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 1.15 0.84 0.39 3.03 0.00 -1.23 -4.99 105.19 104.38 1iwa n GLY 23 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.28 0.00 -3.95 1.61 4.01 -1.19 -4.70 117.16 111.65 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 -0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.87 1iwa n TYR 24 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1iwa s TRP 25 N -2.01 2.30 -0.37 -0.72 -0.11 -1.26 -0.65 118.94 116.13 1iwa s TRP 25 Ca 0.40 -1.59 0.02 0.00 1.22 0.00 0.00 56.10 56.14 1iwa s TRP 25 Cb 0.21 -1.56 0.15 0.00 -1.50 0.00 0.00 33.47 30.77 1iwa s TRP 25 CO 0.34 -0.74 0.31 1.21 -4.62 0.00 0.00 176.95 173.45 1iwa s ASN 26 N 1.43 1.95 0.00 5.86 3.84 -0.26 -4.93 114.94 122.83 1iwa s ASN 26 Ca -0.03 -2.08 0.06 0.00 0.21 0.00 0.00 52.86 51.02 1iwa s ASN 26 Cb -0.17 0.02 0.31 0.00 -0.55 0.00 0.00 41.25 40.86 1iwa s ASN 26 CO -0.07 -0.26 1.07 -0.81 -2.79 0.00 0.00 177.10 174.23 1iwa n PRO 27 N 3.91 0.08 0.00 0.43 -0.04 -1.26 -1.74 135.00 136.37 1iwa n PRO 27 Ca 0.15 0.25 0.10 0.00 -0.04 0.00 0.00 63.50 63.95 1iwa n PRO 27 Cb 0.42 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.40 1iwa n PRO 27 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1iwa n ASP 28 N -1.31 2.07 -4.67 3.54 9.92 -1.26 -4.95 116.55 119.88 1iwa n ASP 28 Ca 0.03 -1.54 -0.45 0.00 -0.53 0.00 0.00 54.79 52.30 1iwa n ASP 28 Cb 0.05 0.36 -0.04 0.00 -0.64 0.00 0.00 41.12 40.85 1iwa n ASP 28 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1iwa n TYR 29 N 0.25 2.28 -3.48 1.24 9.36 -0.71 -4.95 117.16 121.14 1iwa n TYR 29 Ca 0.09 0.30 -0.42 0.00 3.32 0.00 0.00 57.90 61.19 1iwa n TYR 29 Cb 0.44 -2.53 -0.10 0.00 -0.63 0.00 0.00 39.34 36.52 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 0.55 3.09 0.17 2.98 -1.52 -1.26 -5.04 119.66 118.63 1iwa s GLN 30 Ca 0.76 -0.93 -0.34 0.00 -1.95 0.00 0.00 55.36 52.90 1iwa s GLN 30 Cb -0.66 -3.93 -0.14 0.00 -0.22 0.00 0.00 33.01 28.06 1iwa s GLN 30 CO 0.41 -0.67 1.56 0.28 -0.25 0.00 0.00 175.29 176.62 1iwa n VAL 31 N 5.14 0.08 -3.60 1.09 0.31 -1.26 -4.99 118.33 115.10 1iwa n VAL 31 Ca -0.11 -0.02 -0.32 0.00 -0.01 0.00 0.00 64.34 63.87 1iwa n VAL 31 Cb 0.48 -1.53 -0.05 0.00 -0.91 0.00 0.00 33.84 31.83 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 0.80 3.68 0.26 5.55 1.02 -1.26 -4.96 119.74 124.83 1iwa s LYS 32 Ca 0.78 0.04 0.20 0.00 0.02 0.00 0.00 55.97 57.01 1iwa s LYS 32 Cb -0.68 -2.84 1.00 0.00 -0.52 0.00 0.00 37.83 34.79 1iwa s LYS 32 CO 0.39 0.46 1.61 -0.25 -0.92 0.00 0.00 175.35 176.64 1iwa n ASP 33 N 0.23 0.52 -0.05 2.83 10.43 -1.26 -1.38 116.55 127.87 1iwa n ASP 33 Ca -0.03 0.70 0.11 0.00 2.57 0.00 0.00 54.79 58.14 1iwa n ASP 33 Cb 0.52 -0.79 0.03 0.00 1.84 0.00 0.00 41.12 42.72 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 -2.16 0.00 -1.87 -3.53 -2.24 -1.26 -4.37 114.28 98.85 1iwa n THR 34 Ca -0.00 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.41 1iwa n THR 34 Cb 0.09 0.76 0.04 0.00 -2.10 0.00 0.00 70.33 69.12 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 -2.93 5.18 -0.23 3.42 1.01 -0.48 -3.93 116.67 118.70 1iwa s ASP 35 Ca 0.11 2.11 -0.10 0.00 0.71 0.00 0.00 52.55 55.38 1iwa s ASP 35 Cb 0.17 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.49 1iwa s ASP 35 CO 0.78 -1.59 0.13 -0.69 0.21 0.00 0.00 175.17 174.01 1iwa s VAL 36 N -2.10 5.17 0.04 -1.27 1.01 0.40 -4.00 120.40 119.65 1iwa s VAL 36 Ca 0.70 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.84 1iwa s VAL 36 Cb -0.23 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1iwa s VAL 36 CO 0.37 0.37 -0.09 -0.76 0.00 0.00 0.00 175.10 174.99 1iwa s LEU 37 N 0.96 3.07 0.02 3.92 1.43 -0.54 -0.17 118.68 127.37 1iwa s LEU 37 Ca 0.07 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1iwa s LEU 37 Cb -0.13 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1iwa s LEU 37 CO 0.03 0.24 -0.06 0.00 0.23 0.00 0.00 176.35 176.80 1iwa s ALA 38 N -1.06 0.43 -0.20 4.21 0.00 -0.51 0.16 121.76 124.79 1iwa s ALA 38 Ca 0.18 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1iwa s ALA 38 Cb -0.11 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.02 1iwa s ALA 38 CO 0.10 0.03 -0.16 -1.17 0.00 0.00 0.00 175.76 174.55 1iwa s LEU 39 N -0.81 2.52 0.13 0.00 2.96 0.31 -1.21 118.68 122.58 1iwa s LEU 39 Ca -0.04 -0.89 0.04 0.00 -0.22 0.00 0.00 54.13 53.02 1iwa s LEU 39 Cb -0.06 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 1iwa s LEU 39 CO 0.00 -0.08 0.11 -0.36 -1.32 0.00 0.00 176.35 174.70 1iwa s PHE 40 N 1.26 3.15 -0.49 5.38 0.08 -0.55 -0.91 117.98 125.89 1iwa s PHE 40 Ca 0.00 0.01 -0.09 0.00 0.12 0.00 0.00 56.93 56.97 1iwa s PHE 40 Cb -0.15 -1.55 0.12 0.00 -0.57 0.00 0.00 43.02 40.87 1iwa s PHE 40 CO -0.10 0.52 0.36 0.50 -0.10 0.00 0.00 175.22 176.40 1iwa s ARG 41 N -2.84 2.51 0.02 0.44 3.52 0.13 -0.92 118.95 121.82 1iwa s ARG 41 Ca 0.30 -1.83 -0.17 0.00 -0.13 0.00 0.00 55.73 53.90 1iwa s ARG 41 Cb -0.11 -3.93 -0.06 0.00 -1.56 0.00 0.00 34.95 29.29 1iwa s ARG 41 CO 0.23 -1.20 0.48 0.08 -0.81 0.00 0.00 175.30 174.08 1iwa s VAL 42 N 1.25 4.92 -0.45 7.11 1.01 0.39 -2.01 120.40 132.63 1iwa s VAL 42 Ca 0.07 1.01 0.02 0.00 0.00 0.00 0.00 61.98 63.08 1iwa s VAL 42 Cb -0.25 -3.80 0.14 0.00 0.00 0.00 0.00 36.38 32.47 1iwa s VAL 42 CO -0.01 0.55 0.27 -0.89 0.00 0.00 0.00 175.10 175.02 1iwa s THR 43 N -0.93 1.23 0.65 3.92 2.01 0.35 -1.40 115.64 121.48 1iwa s THR 43 Ca 0.26 -2.62 -0.15 0.00 0.31 0.00 0.00 61.69 59.49 1iwa s THR 43 Cb -0.18 -1.86 -0.00 0.00 0.01 0.00 0.00 72.50 70.47 1iwa s THR 43 CO 0.15 -0.96 1.11 -2.16 -0.69 0.00 0.00 174.62 172.07 1iwa s PRO 44 N 0.24 2.84 0.61 4.92 0.04 -1.26 -0.43 135.00 141.96 1iwa s PRO 44 Ca 0.20 1.38 -0.19 0.00 0.04 0.00 0.00 61.00 62.43 1iwa s PRO 44 Cb -0.18 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1iwa s PRO 44 CO -0.04 -1.22 1.23 -0.65 0.04 0.00 0.00 177.00 176.37 1iwa s GLN 45 N -4.10 2.84 0.26 4.56 -1.52 0.05 -4.45 119.66 117.30 1iwa s GLN 45 Ca 0.67 1.90 -0.31 0.00 -1.95 0.00 0.00 55.36 55.67 1iwa s GLN 45 Cb -0.20 -1.90 -0.12 0.00 -0.22 0.00 0.00 33.01 30.57 1iwa s GLN 45 CO 0.41 -1.33 1.66 -0.35 -0.25 0.00 0.00 175.29 175.44 1iwa n PRO 46 N -1.69 2.76 0.00 2.91 -0.04 -1.26 -1.46 135.00 136.22 1iwa n PRO 46 Ca 0.14 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.59 1iwa n PRO 46 Cb 0.49 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 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 2.94 2.04 3.66 0.55 0.00 -1.26 -5.06 105.19 108.07 1iwa n GLY 47 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1iwa n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwa s VAL 48 N -2.47 5.20 0.07 1.61 1.01 -0.54 -5.04 120.40 120.25 1iwa s VAL 48 Ca 0.00 0.68 -0.31 0.00 0.00 0.00 0.00 61.98 62.35 1iwa s VAL 48 Cb 0.00 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 1iwa s VAL 48 CO 0.00 0.24 1.70 -0.62 0.00 0.00 0.00 175.10 176.43 1iwa s ASP 49 N 1.11 6.57 0.32 3.32 3.68 -1.26 -4.77 116.67 125.63 1iwa s ASP 49 Ca 0.18 2.53 0.05 0.00 2.13 0.00 0.00 52.55 57.45 1iwa s ASP 49 Cb -0.15 -2.56 0.69 0.00 -1.45 0.00 0.00 42.92 39.45 1iwa s ASP 49 CO 0.08 -0.92 1.84 1.55 0.13 0.00 0.00 175.17 177.85 1iwa h PRO 50 N 8.57 0.81 -0.81 4.34 0.13 -1.96 0.02 132.00 143.09 1iwa h PRO 50 Ca -0.43 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1iwa h PRO 50 Cb 1.20 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 32.11 1iwa h PRO 50 CO 0.93 0.54 0.39 0.82 -0.23 0.00 0.00 178.00 180.46 1iwa h ILE 51 N 0.84 1.25 0.00 -3.56 2.04 -1.99 0.35 117.51 116.43 1iwa h ILE 51 Ca 0.49 -0.70 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 1iwa h ILE 51 Cb 0.64 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1iwa h ILE 51 CO -0.25 0.30 -0.42 -0.08 0.00 0.00 0.00 178.15 177.70 1iwa h GLU 52 N 1.15 0.00 0.08 2.37 4.57 -1.59 -1.07 114.58 120.10 1iwa h GLU 52 Ca 0.28 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.46 1iwa h GLU 52 Cb 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1iwa h GLU 52 CO -0.04 0.42 -0.04 0.00 -1.18 0.00 0.00 179.01 178.17 1iwa h ALA 53 N 1.58 -0.11 -0.58 2.92 0.00 0.15 -1.03 119.26 122.18 1iwa h ALA 53 Ca -0.00 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.74 1iwa h ALA 53 Cb 0.84 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1iwa h ALA 53 CO 0.05 -0.25 0.13 0.00 0.00 0.00 0.00 179.25 179.18 1iwa h ALA 54 N 0.05 0.68 -0.07 0.00 0.00 -0.26 0.13 119.26 119.77 1iwa h ALA 54 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1iwa h ALA 54 Cb 0.57 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1iwa h ALA 54 CO 0.02 -0.30 -0.08 0.00 0.00 0.00 0.00 179.25 178.89 1iwa h ALA 55 N 1.46 1.73 -0.19 0.00 0.00 -1.18 0.64 119.26 121.71 1iwa h ALA 55 Ca 0.30 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 1iwa h ALA 55 Cb 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1iwa h ALA 55 CO -0.38 0.20 -0.67 0.00 0.00 0.00 0.00 179.25 178.41 1iwa h ALA 56 N 1.82 0.45 -0.55 0.00 0.00 0.56 0.17 119.26 121.71 1iwa h ALA 56 Ca 0.02 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 1iwa h ALA 56 Cb 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1iwa h ALA 56 CO 0.01 0.69 -0.07 0.28 0.00 0.00 0.00 179.25 180.17 1iwa h VAL 57 N 0.54 1.26 -0.45 0.00 2.07 -0.31 0.05 116.25 119.40 1iwa h VAL 57 Ca -0.02 -1.20 -0.13 0.00 0.82 0.00 0.00 66.70 66.17 1iwa h VAL 57 Cb 1.27 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1iwa h VAL 57 CO 0.14 0.43 -0.22 0.00 0.02 0.00 0.00 177.57 177.93 1iwa h ALA 58 N 1.02 0.64 0.56 1.67 0.00 -0.76 -2.78 119.26 119.60 1iwa h ALA 58 Ca 0.15 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1iwa h ALA 58 Cb 0.61 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1iwa h ALA 58 CO 0.04 0.62 -0.27 0.78 0.00 0.00 0.00 179.25 180.42 1iwa h GLY 59 N 0.79 -0.79 2.00 0.00 0.00 -0.47 -3.27 103.07 101.33 1iwa h GLY 59 Ca 0.10 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1iwa h GLY 59 CO 0.07 -0.29 0.00 1.18 0.00 0.00 0.00 176.54 177.50 1iwa n GLU 60 N -5.28 0.09 -0.47 4.80 -0.58 -0.01 -1.74 120.64 117.45 1iwa n GLU 60 Ca -0.10 0.58 0.08 0.00 -0.42 0.00 0.00 57.16 57.30 1iwa n GLU 60 Cb 0.30 -1.79 0.27 0.00 -0.57 0.00 0.00 31.44 29.65 1iwa n GLU 60 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1iwa n SER 61 N -1.99 4.02 0.00 1.62 3.41 -1.05 -4.73 113.62 114.91 1iwa n SER 61 Ca -0.01 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.83 1iwa n SER 61 Cb 0.03 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1iwa n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1iwa n SER 62 N -0.03 0.00 0.00 4.04 3.41 -0.71 -4.42 113.62 115.91 1iwa n SER 62 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1iwa n SER 62 Cb 0.85 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 1iwa n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1iwa n THR 63 N -1.45 0.00 -2.80 6.66 -2.24 -1.09 -5.02 114.28 108.35 1iwa n THR 63 Ca 0.00 -0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 1iwa n THR 63 Cb 0.00 1.59 0.10 0.00 -2.10 0.00 0.00 70.33 69.92 1iwa n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iwa s ALA 64 N -0.00 4.18 0.23 6.98 0.00 -0.80 -5.04 121.76 127.32 1iwa s ALA 64 Ca 0.00 -2.03 -0.17 0.00 0.00 0.00 0.00 51.96 49.77 1iwa s ALA 64 Cb 0.00 -1.71 0.01 0.00 0.00 0.00 0.00 23.12 21.42 1iwa s ALA 64 CO 0.00 -1.30 0.55 -0.08 0.00 0.00 0.00 175.76 174.93 1iwa s THR 65 N -2.98 0.01 -0.03 0.00 -1.32 -1.26 -4.64 115.64 105.42 1iwa s THR 65 Ca 0.66 -1.07 0.20 0.00 -1.21 0.00 0.00 61.69 60.27 1iwa s THR 65 Cb -0.04 -1.91 0.20 0.00 -1.51 0.00 0.00 72.50 69.23 1iwa s THR 65 CO 0.43 -0.05 1.57 4.11 -2.21 0.00 0.00 174.62 178.47 1iwa h TRP 66 N 2.18 0.00 -4.09 9.09 5.08 -2.00 -3.43 115.95 122.78 1iwa h TRP 66 Ca -0.25 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.61 1iwa h TRP 66 Cb 1.25 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 27.27 1iwa h TRP 66 CO 0.39 0.00 -0.58 -0.08 -1.28 0.00 0.00 178.44 176.89 1iwa s THR 67 N -3.52 0.19 0.15 0.12 -1.32 -1.26 -4.61 115.64 105.39 1iwa s THR 67 Ca -0.02 -1.58 -0.31 0.00 -1.21 0.00 0.00 61.69 58.57 1iwa s THR 67 Cb 0.06 -1.42 -0.09 0.00 -1.51 0.00 0.00 72.50 69.54 1iwa s THR 67 CO 0.18 -0.87 1.39 -0.69 -2.21 0.00 0.00 174.62 172.42 1iwa s VAL 68 N -3.82 3.15 -0.09 5.08 1.01 -0.84 -5.00 120.40 119.90 1iwa s VAL 68 Ca 0.06 0.86 0.02 0.00 0.00 0.00 0.00 61.98 62.93 1iwa s VAL 68 Cb 0.06 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1iwa s VAL 68 CO -0.10 0.09 -0.16 0.68 0.00 0.00 0.00 175.10 175.61 1iwa s VAL 69 N 0.78 1.46 0.42 2.92 -7.23 -1.26 -4.48 120.40 113.01 1iwa s VAL 69 Ca 0.63 -0.65 0.26 0.00 -1.81 0.00 0.00 61.98 60.40 1iwa s VAL 69 Cb -0.38 -1.31 0.28 0.00 0.56 0.00 0.00 36.38 35.53 1iwa s VAL 69 CO 0.33 0.43 2.06 4.11 -0.31 0.00 0.00 175.10 181.73 1iwa h TRP 70 N 7.06 0.00 0.00 2.82 5.08 -1.97 -2.89 115.95 126.06 1iwa h TRP 70 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.69 1iwa h TRP 70 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 1iwa h TRP 70 CO 0.48 0.13 0.24 1.79 -1.28 0.00 0.00 178.44 179.80 1iwa h THR 71 N 0.00 0.00 -0.84 0.12 1.35 -1.95 0.10 112.91 111.68 1iwa h THR 71 Ca -0.00 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.97 1iwa h THR 71 Cb 0.33 0.46 -0.08 0.00 -1.73 0.00 0.00 68.15 67.12 1iwa h THR 71 CO 0.02 0.00 0.47 0.44 -0.25 0.00 0.00 175.52 176.20 1iwa h ASP 72 N 0.00 0.65 -0.09 5.36 5.19 -1.90 -0.79 116.42 124.84 1iwa h ASP 72 Ca 0.00 0.06 0.03 0.00 -0.62 0.00 0.00 57.03 56.50 1iwa h ASP 72 Cb 0.48 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.93 1iwa h ASP 72 CO 0.00 0.34 0.30 -0.07 -3.12 0.00 0.00 179.24 176.69 1iwa h LEU 73 N 0.75 0.00 -0.67 1.55 -0.00 -1.24 0.74 115.31 116.44 1iwa h LEU 73 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.30 1iwa h LEU 73 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1iwa h LEU 73 CO -0.28 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.34 1iwa n LEU 74 N -3.15 1.00 -4.34 1.67 4.77 -0.30 -4.87 117.00 111.77 1iwa n LEU 74 Ca -0.00 -0.45 -0.20 0.00 -0.03 0.00 0.00 56.01 55.33 1iwa n LEU 74 Cb 0.38 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.29 1iwa n LEU 74 CO 0.18 0.23 -0.17 0.42 -1.33 0.00 0.00 177.39 176.71 1iwa s THR 75 N -1.82 0.25 -0.81 -5.08 -4.23 0.25 -5.03 115.64 99.17 1iwa s THR 75 Ca 0.23 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.69 1iwa s THR 75 Cb 0.12 -2.48 0.05 0.00 1.34 0.00 0.00 72.50 71.53 1iwa s THR 75 CO 0.18 0.00 2.70 0.00 -0.54 0.00 0.00 174.62 176.96 1iwa n ALA 76 N -0.64 6.65 -0.33 3.99 0.00 -1.26 -4.78 120.51 124.14 1iwa n ALA 76 Ca 0.02 -3.38 0.18 0.00 0.00 0.00 0.00 53.44 50.26 1iwa n ALA 76 Cb 0.64 -2.47 0.35 0.00 0.00 0.00 0.00 19.45 17.98 1iwa n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iwa h ALA 77 N 3.72 1.41 0.00 0.00 0.00 -1.94 0.37 119.26 122.81 1iwa h ALA 77 Ca 0.52 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.73 1iwa h ALA 77 Cb 0.60 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1iwa h ALA 77 CO 1.10 -0.63 -0.02 -0.44 0.00 0.00 0.00 179.25 179.26 1iwa h ASP 78 N 0.05 0.00 0.05 0.00 5.19 -1.94 -1.13 116.42 118.65 1iwa h ASP 78 Ca 0.64 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.72 1iwa h ASP 78 Cb 1.42 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.90 1iwa h ASP 78 CO -0.83 0.02 -1.86 -0.11 -3.12 0.00 0.00 179.24 173.34 1iwa n LEU 79 N -3.78 2.32 0.12 1.55 -0.00 0.12 -4.43 117.00 112.91 1iwa n LEU 79 Ca -0.03 0.26 -0.01 0.00 -0.00 0.00 0.00 56.01 56.23 1iwa n LEU 79 Cb 0.11 -1.01 0.25 0.00 -0.00 0.00 0.00 43.42 42.77 1iwa n LEU 79 CO 0.27 0.63 0.65 1.88 -0.00 0.00 0.00 177.39 180.82 1iwa h TYR 80 N -0.44 0.18 -2.97 1.96 0.05 -1.10 -3.42 116.97 111.22 1iwa h TYR 80 Ca -0.45 -0.05 -0.52 0.00 0.05 0.00 0.00 58.73 57.76 1iwa h TYR 80 Cb 1.71 -0.04 0.07 0.00 1.01 0.00 0.00 36.73 39.48 1iwa h TYR 80 CO 0.06 0.56 0.96 1.03 -1.05 0.00 0.00 178.16 179.72 1iwa s ARG 81 N -4.10 4.12 0.45 4.88 0.52 -0.44 -4.69 118.95 119.69 1iwa s ARG 81 Ca -0.04 2.60 -0.21 0.00 -0.52 0.00 0.00 55.73 57.57 1iwa s ARG 81 Cb 0.14 -3.05 -0.10 0.00 0.52 0.00 0.00 34.95 32.46 1iwa s ARG 81 CO 0.76 -0.71 0.99 0.00 0.02 0.00 0.00 175.30 176.36 1iwa s ALA 82 N 0.64 2.97 -0.13 2.13 0.00 -1.26 -4.82 121.76 121.29 1iwa s ALA 82 Ca 0.70 0.49 0.03 0.00 0.00 0.00 0.00 51.96 53.18 1iwa s ALA 82 Cb -0.49 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1iwa s ALA 82 CO 0.39 -0.07 -0.22 0.15 0.00 0.00 0.00 175.76 176.02 1iwa s LYS 83 N -3.20 3.06 -0.23 0.00 -0.14 -0.73 -4.49 119.74 114.02 1iwa s LYS 83 Ca 0.64 -0.85 -0.26 0.00 -1.36 0.00 0.00 55.97 54.14 1iwa s LYS 83 Cb -0.12 -2.41 -0.00 0.00 -1.68 0.00 0.00 37.83 33.62 1iwa s LYS 83 CO 0.16 0.07 0.91 0.00 -0.76 0.00 0.00 175.35 175.73 1iwa s ALA 84 N 0.63 3.64 -0.32 5.17 0.00 0.18 -1.30 121.76 129.76 1iwa s ALA 84 Ca -0.11 0.01 0.05 0.00 0.00 0.00 0.00 51.96 51.91 1iwa s ALA 84 Cb -0.16 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 1iwa s ALA 84 CO 0.02 -0.93 0.29 2.48 0.00 0.00 0.00 175.76 177.62 1iwa n TYR 85 N 6.01 0.00 -3.69 0.00 4.11 -0.69 -1.10 117.16 121.80 1iwa n TYR 85 Ca 0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.85 1iwa n TYR 85 Cb 0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.72 1iwa n TYR 85 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 1iwa s LYS 86 N -1.33 0.58 -0.15 -3.48 2.20 -1.24 -4.33 119.74 111.98 1iwa s LYS 86 Ca 0.03 0.77 -0.04 0.00 -0.36 0.00 0.00 55.97 56.37 1iwa s LYS 86 Cb 0.04 0.23 0.05 0.00 -1.51 0.00 0.00 37.83 36.64 1iwa s LYS 86 CO 0.19 -0.09 0.06 0.08 -0.36 0.00 0.00 175.35 175.23 1iwa s VAL 87 N 0.56 0.13 0.12 4.02 1.01 -1.26 -1.16 120.40 123.82 1iwa s VAL 87 Ca -0.02 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1iwa s VAL 87 Cb -0.04 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1iwa s VAL 87 CO -0.03 -0.14 -0.09 -1.81 0.00 0.00 0.00 175.10 173.03 1iwa s ASP 88 N 2.05 4.45 0.19 3.32 -0.00 -0.59 -4.94 116.67 121.15 1iwa s ASP 88 Ca 0.02 -0.40 -0.29 0.00 -0.00 0.00 0.00 52.55 51.89 1iwa s ASP 88 Cb -0.15 -0.86 -0.08 0.00 -0.00 0.00 0.00 42.92 41.83 1iwa s ASP 88 CO -0.08 0.16 0.90 -1.58 -0.00 0.00 0.00 175.17 174.58 1iwa s GLN 89 N -2.35 4.75 0.02 8.23 0.74 -1.26 0.06 119.66 129.86 1iwa s GLN 89 Ca 0.23 1.39 -0.30 0.00 0.05 0.00 0.00 55.36 56.72 1iwa s GLN 89 Cb -0.11 -3.30 -0.06 0.00 1.10 0.00 0.00 33.01 30.64 1iwa s GLN 89 CO 0.15 0.46 1.45 0.08 -0.55 0.00 0.00 175.29 176.88 1iwa s VAL 90 N -0.90 3.54 0.00 1.34 1.01 -0.79 -4.79 120.40 119.80 1iwa s VAL 90 Ca 0.41 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1iwa s VAL 90 Cb -0.25 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1iwa s VAL 90 CO 0.30 0.00 0.00 -2.65 0.00 0.00 0.00 175.10 172.75 1iwa n PRO 91 N 5.28 0.00 -2.58 2.72 -0.02 -1.26 -1.40 135.00 137.74 1iwa n PRO 91 Ca 0.13 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.30 1iwa n PRO 91 Cb 0.43 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.90 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 -0.45 5.54 -3.39 2.55 4.13 -1.26 -4.92 115.26 117.45 1iwa n ASN 92 Ca 0.00 -3.72 -0.06 0.00 1.68 0.00 0.00 54.58 52.48 1iwa n ASN 92 Cb 0.00 -0.71 -0.07 0.00 -1.54 0.00 0.00 39.78 37.46 1iwa n ASN 92 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1iwa s ASN 93 N -2.75 -0.28 0.00 6.41 3.84 -0.49 -5.02 114.94 116.65 1iwa s ASN 93 Ca 0.47 0.60 0.24 0.00 0.21 0.00 0.00 52.86 54.39 1iwa s ASN 93 Cb 0.33 1.45 1.24 0.00 -0.55 0.00 0.00 41.25 43.71 1iwa s ASN 93 CO -0.20 -0.27 1.81 -0.81 -2.79 0.00 0.00 177.10 174.84 1iwa n PRO 94 N 5.39 0.35 0.00 0.43 -0.04 -1.26 -3.36 135.00 136.51 1iwa n PRO 94 Ca -0.05 0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.54 1iwa n PRO 94 Cb 0.50 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.28 1.99 -4.38 0.54 1.02 -1.26 -5.00 120.64 112.27 1iwa n GLU 95 Ca 0.12 -0.10 -0.26 0.00 -0.02 0.00 0.00 57.16 56.89 1iwa n GLU 95 Cb 0.19 -1.22 -0.10 0.00 -0.02 0.00 0.00 31.44 30.29 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 -2.35 1.76 0.02 3.49 -0.21 -1.21 -4.30 119.66 116.86 1iwa s GLN 96 Ca 0.07 -1.46 -0.10 0.00 0.02 0.00 0.00 55.36 53.88 1iwa s GLN 96 Cb 0.12 -1.96 0.01 0.00 1.00 0.00 0.00 33.01 32.18 1iwa s GLN 96 CO 0.59 0.40 0.21 0.71 -2.12 0.00 0.00 175.29 175.08 1iwa s TYR 97 N -1.82 -0.00 -0.30 0.91 1.51 -0.50 -1.89 117.35 115.26 1iwa s TYR 97 Ca 0.24 -0.13 -0.11 0.00 -1.01 0.00 0.00 57.07 56.06 1iwa s TYR 97 Cb -0.08 -0.00 -0.03 0.00 -0.11 0.00 0.00 41.96 41.74 1iwa s TYR 97 CO 0.13 -0.40 0.18 -0.06 -1.11 0.00 0.00 175.55 174.29 1iwa s PHE 98 N -2.09 3.20 -0.23 2.71 0.08 0.11 -0.46 117.98 121.30 1iwa s PHE 98 Ca -0.09 -0.16 -0.05 0.00 0.12 0.00 0.00 56.93 56.75 1iwa s PHE 98 Cb -0.03 -2.39 -0.02 0.00 -0.57 0.00 0.00 43.02 40.01 1iwa s PHE 98 CO -0.01 -0.30 -0.00 0.00 -0.10 0.00 0.00 175.22 174.81 1iwa s ALA 99 N 1.71 2.95 -0.14 5.36 0.00 -0.09 -1.53 121.76 130.00 1iwa s ALA 99 Ca 0.06 -1.14 -0.19 0.00 0.00 0.00 0.00 51.96 50.69 1iwa s ALA 99 Cb -0.16 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 1iwa s ALA 99 CO 0.09 -0.43 0.51 0.71 0.00 0.00 0.00 175.76 176.64 1iwa s TYR 100 N 1.49 3.47 -0.03 0.00 1.51 -0.31 -1.49 117.35 122.00 1iwa s TYR 100 Ca 0.06 0.88 0.04 0.00 -1.01 0.00 0.00 57.07 57.03 1iwa s TYR 100 Cb -0.15 -2.61 -0.00 0.00 -0.11 0.00 0.00 41.96 39.09 1iwa s TYR 100 CO -0.01 0.07 -0.14 0.42 -1.11 0.00 0.00 175.55 174.79 1iwa s ILE 101 N 0.97 1.18 -0.13 2.71 1.01 -0.35 -1.70 121.20 124.89 1iwa s ILE 101 Ca 0.26 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 1iwa s ILE 101 Cb -0.15 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 1iwa s ILE 101 CO 0.10 0.34 -0.03 0.00 0.00 0.00 0.00 174.94 175.36 1iwa s ALA 102 N 0.00 3.10 -0.05 9.38 0.00 -0.42 -1.43 121.76 132.34 1iwa s ALA 102 Ca -0.02 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.18 1iwa s ALA 102 Cb -0.09 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 1iwa s ALA 102 CO 0.01 0.37 -0.23 0.71 0.00 0.00 0.00 175.76 176.62 1iwa s TYR 103 N -0.15 2.22 0.35 0.00 1.51 0.76 -1.78 117.35 120.26 1iwa s TYR 103 Ca 0.03 -0.64 -0.28 0.00 -1.01 0.00 0.00 57.07 55.17 1iwa s TYR 103 Cb -0.13 -1.46 -0.10 0.00 -0.11 0.00 0.00 41.96 40.16 1iwa s TYR 103 CO 0.02 -0.20 1.28 -2.00 -1.11 0.00 0.00 175.55 173.54 1iwa s GLU 104 N -0.13 4.27 0.22 -0.62 2.56 -1.26 -0.45 118.70 123.30 1iwa s GLU 104 Ca -0.03 2.13 -0.08 0.00 0.00 0.00 0.00 54.97 57.00 1iwa s GLU 104 Cb -0.13 -2.98 0.30 0.00 2.00 0.00 0.00 34.13 33.32 1iwa s GLU 104 CO 0.03 -0.23 1.79 1.25 -0.56 0.00 0.00 175.26 177.54 1iwa h LEU 105 N 3.20 0.48 -0.63 2.70 6.46 -1.93 -2.31 115.31 123.29 1iwa h LEU 105 Ca -0.49 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.32 1iwa h LEU 105 Cb 1.23 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1iwa h LEU 105 CO 0.65 0.29 0.15 0.47 -0.62 0.00 0.00 178.44 179.37 1iwa n ASP 106 N -4.84 0.24 0.17 1.25 8.00 -1.26 -1.84 116.55 118.27 1iwa n ASP 106 Ca 0.10 0.53 0.03 0.00 0.71 0.00 0.00 54.79 56.16 1iwa n ASP 106 Cb 0.24 -0.53 0.28 0.00 -0.02 0.00 0.00 41.12 41.09 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 0.00-10.03 0.64 3.38 -1.80 -3.46 115.31 104.05 1iwa h LEU 107 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1iwa h LEU 107 Cb 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1iwa h LEU 107 CO 0.00 0.45 -0.47 -0.36 0.09 0.00 0.00 178.44 178.15 1iwa s PHE 108 N -3.61 3.49 -0.14 1.13 0.08 -0.77 -5.06 117.98 113.10 1iwa s PHE 108 Ca -0.00 0.14 -0.20 0.00 0.12 0.00 0.00 56.93 56.98 1iwa s PHE 108 Cb 0.12 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.85 1iwa s PHE 108 CO 0.71 0.53 0.58 -2.00 -0.10 0.00 0.00 175.22 174.93 1iwa s GLU 109 N -3.14 4.31 0.08 0.44 2.12 -1.26 -5.01 118.70 116.25 1iwa s GLU 109 Ca 0.35 0.60 -0.35 0.00 0.36 0.00 0.00 54.97 55.92 1iwa s GLU 109 Cb -0.11 -3.49 -0.15 0.00 0.26 0.00 0.00 34.13 30.64 1iwa s GLU 109 CO 0.28 -0.00 1.51 0.39 -0.54 0.00 0.00 175.26 176.90 1iwa n GLU 110 N 4.19 1.67 -1.82 4.30 4.71 -1.26 -2.51 120.64 129.92 1iwa n GLU 110 Ca -0.04 0.60 -0.17 0.00 -0.01 0.00 0.00 57.16 57.54 1iwa n GLU 110 Cb 0.51 -2.32 -0.05 0.00 -1.01 0.00 0.00 31.44 28.57 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 3.16 0.92 3.07 0.62 0.00 -1.23 -5.00 105.19 106.73 1iwa n GLY 111 Ca 0.19 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.59 4.68 0.28 1.61 0.15 -1.04 -4.94 113.70 111.84 1iwa s SER 112 Ca 0.00 -1.69 -0.02 0.00 0.70 0.00 0.00 55.95 54.94 1iwa s SER 112 Cb 0.00 -1.62 0.39 0.00 -1.71 0.00 0.00 66.02 63.08 1iwa s SER 112 CO 0.00 -0.29 1.86 0.40 1.20 0.00 0.00 173.24 176.41 1iwa h ILE 113 N 6.64 1.22 -0.23 6.45 1.08 -1.93 -2.01 117.51 128.73 1iwa h ILE 113 Ca -0.14 -0.69 0.04 0.00 -0.39 0.00 0.00 64.86 63.68 1iwa h ILE 113 Cb 1.04 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 35.20 1iwa h ILE 113 CO 0.51 0.28 -0.04 0.00 -0.69 0.00 0.00 178.15 178.21 1iwa h ALA 114 N 1.36 0.17 -0.53 1.87 0.00 -1.92 0.67 119.26 120.89 1iwa h ALA 114 Ca 0.22 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 1iwa h ALA 114 Cb 0.17 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1iwa h ALA 114 CO -0.02 -0.46 -0.04 -0.97 0.00 0.00 0.00 179.25 177.77 1iwa h ASN 115 N 0.02 0.94 -0.17 0.00 -0.73 -1.86 0.17 115.58 113.95 1iwa h ASN 115 Ca 0.11 -0.32 0.04 0.00 1.87 0.00 0.00 56.30 58.00 1iwa h ASN 115 Cb 0.16 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 38.45 1iwa h ASN 115 CO -0.22 1.04 -0.10 0.25 -0.37 0.00 0.00 177.43 178.04 1iwa h LEU 116 N 0.82 -0.31 -0.83 0.34 5.85 -0.90 -2.42 115.31 117.86 1iwa h LEU 116 Ca 0.14 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.82 1iwa h LEU 116 Cb 0.58 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1iwa h LEU 116 CO 0.03 -0.13 -0.45 0.71 -0.34 0.00 0.00 178.44 178.26 1iwa h THR 117 N -0.09 1.32 -0.88 1.05 1.35 -0.68 -2.49 112.91 112.50 1iwa h THR 117 Ca 0.10 -1.63 0.08 0.00 -0.55 0.00 0.00 66.41 64.41 1iwa h THR 117 Cb 0.23 1.73 -0.07 0.00 -1.73 0.00 0.00 68.15 68.31 1iwa h THR 117 CO -0.23 0.49 0.53 0.00 -0.25 0.00 0.00 175.52 176.07 1iwa h ALA 118 N 1.28 1.25 0.14 6.62 0.00 -0.18 0.06 119.26 128.42 1iwa h ALA 118 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1iwa h ALA 118 Cb 0.90 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1iwa h ALA 118 CO 0.07 0.21 -0.07 0.77 0.00 0.00 0.00 179.25 180.24 1iwa h SER 119 N 0.92 -0.16 -0.21 0.00 0.02 -1.39 -2.40 113.55 110.33 1iwa h SER 119 Ca 0.41 -0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.33 1iwa h SER 119 Cb 0.30 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.83 1iwa h SER 119 CO -0.22 0.35 -0.10 0.40 -1.14 0.00 0.00 176.83 176.13 1iwa h ILE 120 N -1.04 0.68 -0.18 3.27 1.08 -1.41 -3.22 117.51 116.69 1iwa h ILE 120 Ca -0.02 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.41 1iwa h ILE 120 Cb 0.22 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 1iwa h ILE 120 CO 0.03 0.00 -0.05 2.30 -0.69 0.00 0.00 178.15 179.74 1iwa n ILE 121 N -5.26 2.22 0.44 -0.67 -5.35 -0.00 -4.80 119.36 105.95 1iwa n ILE 121 Ca -0.02 -2.28 -0.17 0.00 -0.27 0.00 0.00 62.75 60.01 1iwa n ILE 121 Cb 0.18 -0.26 -0.08 0.00 -1.74 0.00 0.00 39.64 37.73 1iwa n ILE 121 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1iwa h GLY 122 N 1.05 -1.19 0.00 3.28 0.00 -1.33 -3.44 103.07 101.44 1iwa h GLY 122 Ca 0.05 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1iwa h GLY 122 CO 0.18 -0.43 -0.63 0.70 0.00 0.00 0.00 176.54 176.36 1iwa n ASN 123 N -5.51 3.14 -0.27 0.19 3.02 -1.26 -4.83 115.26 109.74 1iwa n ASN 123 Ca -0.14 0.00 0.33 0.00 -0.03 0.00 0.00 54.58 54.74 1iwa n ASN 123 Cb 0.45 0.41 0.71 0.00 -0.61 0.00 0.00 39.78 40.74 1iwa n ASN 123 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1iwa h VAL 124 N 0.00 0.29 0.00 2.41 -1.51 -1.84 0.06 116.25 115.66 1iwa h VAL 124 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1iwa h VAL 124 Cb 0.43 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 29.94 1iwa h VAL 124 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 1iwa n PHE 125 N -3.91 0.00 -0.19 5.19 3.01 -1.26 -3.31 117.46 116.99 1iwa n PHE 125 Ca 0.24 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.73 1iwa n PHE 125 Cb 1.25 -0.28 0.07 0.00 -0.01 0.00 0.00 39.48 40.52 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 0.83 3.13 3.70 1.37 0.00 0.01 -4.87 105.19 109.36 1iwa n GLY 126 Ca 0.12 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1iwa n GLY 126 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iwa s PHE 127 N -1.25 2.93 0.15 1.61 5.36 -1.21 -4.93 117.98 120.65 1iwa s PHE 127 Ca 0.12 0.75 -0.17 0.00 -0.96 0.00 0.00 56.93 56.67 1iwa s PHE 127 Cb 0.08 -3.76 0.02 0.00 -0.34 0.00 0.00 43.02 39.02 1iwa s PHE 127 CO 0.06 -2.81 1.79 0.87 -1.46 0.00 0.00 175.22 173.67 1iwa h LYS 128 N 7.44 0.41 0.00 10.12 1.57 -1.95 -2.14 116.57 132.01 1iwa h LYS 128 Ca -0.41 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1iwa h LYS 128 Cb 1.20 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1iwa h LYS 128 CO 0.89 0.27 0.13 0.00 -0.57 0.00 0.00 179.45 180.18 1iwa h ALA 129 N 1.16 1.11 -3.31 3.86 0.00 -1.99 -3.35 119.26 116.74 1iwa h ALA 129 Ca 0.14 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.37 1iwa h ALA 129 Cb 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.46 1iwa h ALA 129 CO -0.07 -0.11 -0.62 0.08 0.00 0.00 0.00 179.25 178.53 1iwa s VAL 130 N -3.77 3.13 0.39 0.00 1.01 -0.81 -0.77 120.40 119.58 1iwa s VAL 130 Ca -0.03 -1.81 0.07 0.00 0.00 0.00 0.00 61.98 60.22 1iwa s VAL 130 Cb 0.08 -3.02 0.29 0.00 0.00 0.00 0.00 36.38 33.73 1iwa s VAL 130 CO 0.25 -0.46 2.00 0.50 0.00 0.00 0.00 175.10 177.39 1iwa h LYS 131 N 8.00 0.62 -2.53 2.72 3.64 -0.89 -3.43 116.57 124.70 1iwa h LYS 131 Ca -0.15 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.10 1iwa h LYS 131 Cb 1.05 -0.14 -0.22 0.00 -0.41 0.00 0.00 32.23 32.52 1iwa h LYS 131 CO 0.62 0.41 -0.09 0.00 -2.27 0.00 0.00 179.45 178.12 1iwa s ALA 132 N -5.57 -1.25 -0.07 5.00 0.00 -0.50 -5.02 121.76 114.35 1iwa s ALA 132 Ca -0.09 1.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.96 1iwa s ALA 132 Cb 0.19 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1iwa s ALA 132 CO 0.75 -0.27 0.19 -1.17 0.00 0.00 0.00 175.76 175.26 1iwa s LEU 133 N -0.40 1.29 -0.07 0.00 2.96 -1.24 -0.49 118.68 120.73 1iwa s LEU 133 Ca -0.05 0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 54.20 1iwa s LEU 133 Cb -0.03 0.64 0.04 0.00 0.50 0.00 0.00 46.19 47.34 1iwa s LEU 133 CO 0.03 -0.07 0.15 -0.60 -1.32 0.00 0.00 176.35 174.55 1iwa s ARG 134 N 0.09 0.10 -0.42 1.98 3.52 -0.85 -1.43 118.95 121.95 1iwa s ARG 134 Ca -0.00 0.37 -0.24 0.00 -0.13 0.00 0.00 55.73 55.73 1iwa s ARG 134 Cb -0.01 -0.16 0.02 0.00 -1.56 0.00 0.00 34.95 33.23 1iwa s ARG 134 CO 0.00 -0.16 0.84 -1.17 -0.81 0.00 0.00 175.30 174.00 1iwa s LEU 135 N 1.12 4.12 -0.12 -0.88 2.96 -0.31 0.23 118.68 125.79 1iwa s LEU 135 Ca -0.09 0.18 -0.06 0.00 -0.22 0.00 0.00 54.13 53.94 1iwa s LEU 135 Cb -0.11 -3.08 -0.26 0.00 0.50 0.00 0.00 46.19 43.24 1iwa s LEU 135 CO -0.06 -0.89 0.35 -0.62 -1.32 0.00 0.00 176.35 173.82 1iwa n GLU 136 N 6.75 0.75 -3.46 1.98 -0.58 -0.09 -0.53 120.64 125.46 1iwa n GLU 136 Ca 0.04 0.26 -0.12 0.00 -0.42 0.00 0.00 57.16 56.92 1iwa n GLU 136 Cb 0.48 -1.70 -0.03 0.00 -0.57 0.00 0.00 31.44 29.62 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 -7.00 -0.52 0.05 1.62 2.15 -1.17 -4.62 116.67 107.18 1iwa s ASP 137 Ca -0.22 0.11 0.02 0.00 0.43 0.00 0.00 52.55 52.89 1iwa s ASP 137 Cb 0.07 0.52 -0.03 0.00 -0.30 0.00 0.00 42.92 43.19 1iwa s ASP 137 CO 0.77 -0.81 -0.07 -0.04 -0.17 0.00 0.00 175.17 174.84 1iwa s MET 138 N -3.14 0.54 -0.44 4.34 -1.94 -1.26 -0.53 119.30 116.86 1iwa s MET 138 Ca 0.00 -0.80 0.00 0.00 -1.71 0.00 0.00 55.69 53.18 1iwa s MET 138 Cb -0.01 -0.25 0.12 0.00 2.01 0.00 0.00 34.83 36.70 1iwa s MET 138 CO -0.08 0.04 0.21 0.50 -0.01 0.00 0.00 175.02 175.67 1iwa s ARG 139 N -1.78 1.94 -0.08 2.03 3.00 0.12 -4.88 118.95 119.30 1iwa s ARG 139 Ca -0.08 -2.09 -0.25 0.00 -1.00 0.00 0.00 55.73 52.31 1iwa s ARG 139 Cb -0.09 -3.46 -0.03 0.00 0.00 0.00 0.00 34.95 31.38 1iwa s ARG 139 CO -0.00 -1.06 0.78 -0.51 0.00 0.00 0.00 175.30 174.51 1iwa s LEU 140 N 0.64 4.29 0.54 -0.88 1.43 -1.26 -1.47 118.68 121.97 1iwa s LEU 140 Ca 0.12 1.26 -0.19 0.00 -1.03 0.00 0.00 54.13 54.29 1iwa s LEU 140 Cb -0.22 -3.20 -0.06 0.00 0.03 0.00 0.00 46.19 42.75 1iwa s LEU 140 CO -0.05 -0.21 1.09 -2.16 0.23 0.00 0.00 176.35 175.26 1iwa s PRO 141 N 1.18 3.43 0.15 1.29 0.04 -1.26 -4.79 135.00 135.04 1iwa s PRO 141 Ca 0.40 1.47 -0.24 0.00 0.04 0.00 0.00 61.00 62.67 1iwa s PRO 141 Cb -0.18 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.35 1iwa s PRO 141 CO 0.18 -0.76 1.60 1.25 0.04 0.00 0.00 177.00 179.32 1iwa h LEU 142 N 1.12 -1.05 -1.94 -3.56 5.85 -1.89 0.18 115.31 114.01 1iwa h LEU 142 Ca -0.49 0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.47 1iwa h LEU 142 Cb 1.24 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 42.73 1iwa h LEU 142 CO 0.57 -0.34 0.20 0.00 -0.34 0.00 0.00 178.44 178.53 1iwa h ALA 143 N 0.60 2.18 0.20 1.25 0.00 -1.94 -1.41 119.26 120.13 1iwa h ALA 143 Ca 0.13 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.72 1iwa h ALA 143 Cb 0.54 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.35 1iwa h ALA 143 CO -0.45 -0.25 -1.48 -0.92 0.00 0.00 0.00 179.25 176.15 1iwa h TYR 144 N 0.07 0.75 0.00 0.00 3.20 -1.62 -3.29 116.97 116.09 1iwa h TYR 144 Ca 0.13 -0.55 -0.00 0.00 3.14 0.00 0.00 58.73 61.44 1iwa h TYR 144 Cb 0.43 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 1iwa h TYR 144 CO -0.00 1.57 -0.02 -0.07 -1.64 0.00 0.00 178.16 178.00 1iwa h LEU 145 N -0.01 0.00 -0.19 2.82 4.07 -0.16 -0.90 115.31 120.95 1iwa h LEU 145 Ca -0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.68 1iwa h LEU 145 Cb 2.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.75 1iwa h LEU 145 CO 0.19 0.02 0.00 0.29 -1.08 0.00 0.00 178.44 177.87 1iwa n LYS 146 N -3.95 0.10 -0.06 1.13 4.76 -0.58 -2.48 118.16 117.08 1iwa n LYS 146 Ca -0.03 0.23 0.11 0.00 -2.87 0.00 0.00 58.31 55.75 1iwa n LYS 146 Cb 0.11 -1.65 0.42 0.00 -1.84 0.00 0.00 35.03 32.06 1iwa n LYS 146 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1iwa n THR 147 N -1.83 0.16 -4.21 -0.18 -2.24 -0.34 -4.87 114.28 100.77 1iwa n THR 147 Ca 0.04 -0.30 -0.23 0.00 -2.27 0.00 0.00 64.05 61.29 1iwa n THR 147 Cb 0.27 0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.84 2.89 -0.07 4.78 0.40 -1.04 -3.52 117.98 119.58 1iwa s PHE 148 Ca 0.33 -0.16 -0.25 0.00 -0.60 0.00 0.00 56.93 56.25 1iwa s PHE 148 Cb 0.18 -1.32 -0.25 0.00 0.51 0.00 0.00 43.02 42.13 1iwa s PHE 148 CO 0.27 0.56 0.94 0.37 0.70 0.00 0.00 175.22 178.06 1iwa h GLN 149 N 1.95 0.14 0.00 0.44 4.15 -1.85 -3.51 115.11 116.43 1iwa h GLN 149 Ca -0.46 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 58.78 1iwa h GLN 149 Cb 1.23 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.98 1iwa h GLN 149 CO 0.60 0.98 0.00 0.41 -1.93 0.00 0.00 178.83 178.89 1iwa n GLY 150 N 1.28 -0.98 2.65 2.39 0.00 -0.80 -4.72 105.19 105.01 1iwa n GLY 150 Ca -0.10 -1.65 -0.45 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.16 0.00 0.13 1.61 -0.02 -1.13 -3.94 135.00 130.49 1iwa n PRO 151 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 1iwa n PRO 151 Cb 0.00 -1.12 -0.06 0.00 -0.02 0.00 0.00 33.50 32.30 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 2.49 -0.38 0.00 3.55 0.00 -1.05 -3.37 119.26 120.51 1iwa h ALA 152 Ca -0.37 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.21 1iwa h ALA 152 Cb 1.06 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 1iwa h ALA 152 CO 0.53 -0.75 -1.80 2.41 0.00 0.00 0.00 179.25 179.64 1iwa n THR 153 N -5.33 1.51 0.00 0.00 -1.04 -1.26 -4.67 114.28 103.49 1iwa n THR 153 Ca -0.07 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1iwa n THR 153 Cb 0.24 -2.07 0.00 0.00 -1.82 0.00 0.00 70.33 66.68 1iwa n THR 153 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1iwa n GLY 154 N 1.36 -1.43 0.30 3.41 0.00 -1.26 -4.15 105.19 103.42 1iwa n GLY 154 Ca -0.37 -1.39 0.08 0.00 0.00 0.00 0.00 46.02 44.34 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 0.67 0.47 1.61 2.07 -1.58 0.82 116.25 120.31 1iwa h VAL 155 Ca 0.00 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1iwa h VAL 155 Cb 0.00 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1iwa h VAL 155 CO 0.00 0.10 -0.22 0.40 0.02 0.00 0.00 177.57 177.87 1iwa h ILE 156 N 0.55 0.48 -0.51 4.57 1.08 -1.87 -1.97 117.51 119.84 1iwa h ILE 156 Ca 0.47 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 64.57 1iwa h ILE 156 Cb 0.71 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 35.07 1iwa h ILE 156 CO -0.40 0.06 0.23 0.25 -0.69 0.00 0.00 178.15 177.60 1iwa h LEU 157 N -0.85 0.65 0.07 1.44 5.85 -1.67 -2.09 115.31 118.71 1iwa h LEU 157 Ca -0.06 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1iwa h LEU 157 Cb 0.57 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1iwa h LEU 157 CO 0.11 0.57 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.61 1iwa h GLU 158 N 0.72 -0.16 -0.48 1.25 4.81 -0.75 -0.14 114.58 119.82 1iwa h GLU 158 Ca 0.18 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1iwa h GLU 158 Cb 0.10 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1iwa h GLU 158 CO -0.02 -0.11 0.21 0.00 -0.73 0.00 0.00 179.01 178.36 1iwa h ARG 159 N -0.17 0.67 -0.35 1.92 3.08 -1.05 -0.66 114.38 117.82 1iwa h ARG 159 Ca 0.01 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.85 1iwa h ARG 159 Cb 0.17 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1iwa h ARG 159 CO -0.03 0.54 -0.30 0.93 -1.07 0.00 0.00 179.97 180.04 1iwa h GLU 160 N 0.67 0.75 -0.20 0.04 5.08 -0.92 0.63 114.58 120.64 1iwa h GLU 160 Ca 0.17 -0.34 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 1iwa h GLU 160 Cb 0.10 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1iwa h GLU 160 CO -0.02 0.96 -0.38 0.00 -1.00 0.00 0.00 179.01 178.57 1iwa h ARG 161 N 0.64 0.45 0.00 2.33 3.08 -0.41 -3.01 114.38 117.46 1iwa h ARG 161 Ca 0.07 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1iwa h ARG 161 Cb 0.82 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1iwa h ARG 161 CO 0.07 0.77 -0.58 1.28 -1.07 0.00 0.00 179.97 180.44 1iwa n LEU 162 N -4.04 0.70 -3.54 3.04 4.77 -0.31 -4.97 117.00 112.65 1iwa n LEU 162 Ca -0.01 0.25 -0.21 0.00 -0.03 0.00 0.00 56.01 56.01 1iwa n LEU 162 Cb 0.49 -0.19 0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1iwa n LEU 162 CO 0.44 -0.06 0.14 -0.67 -1.33 0.00 0.00 177.39 175.91 1iwa n ASP 163 N -2.11 -3.60 -3.71 -1.43 4.64 0.22 -4.49 116.55 106.06 1iwa n ASP 163 Ca 0.03 -0.62 -0.24 0.00 -1.38 0.00 0.00 54.79 52.58 1iwa n ASP 163 Cb 0.44 -4.92 -0.17 0.00 -1.04 0.00 0.00 41.12 35.42 1iwa n ASP 163 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1iwa s LYS 164 N -5.82 0.37 0.28 -0.67 1.02 -0.87 -5.03 119.74 109.03 1iwa s LYS 164 Ca 0.24 0.01 0.02 0.00 0.02 0.00 0.00 55.97 56.26 1iwa s LYS 164 Cb -0.11 -1.28 -0.05 0.00 -0.52 0.00 0.00 37.83 35.86 1iwa s LYS 164 CO 0.74 -0.45 0.09 -0.06 -0.92 0.00 0.00 175.35 174.75 1iwa s PHE 165 N 2.02 1.68 -0.77 3.18 0.40 -1.26 -4.70 117.98 118.53 1iwa s PHE 165 Ca 0.03 -1.12 0.00 0.00 -0.60 0.00 0.00 56.93 55.24 1iwa s PHE 165 Cb -0.14 -1.03 0.00 0.00 0.51 0.00 0.00 43.02 42.36 1iwa s PHE 165 CO -0.06 -0.23 0.00 0.41 0.70 0.00 0.00 175.22 176.04 1iwa n GLY 166 N -0.55 0.69 3.38 4.36 0.00 -1.26 -4.93 105.19 106.89 1iwa n GLY 166 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1iwa n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iwa s ARG 167 N -2.51 0.89 1.14 1.61 1.70 -1.26 -5.06 118.95 115.46 1iwa s ARG 167 Ca 0.00 0.01 -0.12 0.00 -0.47 0.00 0.00 55.73 55.14 1iwa s ARG 167 Cb 0.00 0.41 0.27 0.00 -0.57 0.00 0.00 34.95 35.06 1iwa s ARG 167 CO 0.00 -0.27 1.04 -2.14 -1.08 0.00 0.00 175.30 172.85 1iwa s PRO 168 N -1.40 -0.71 0.23 3.89 0.02 -1.16 -4.89 135.00 130.97 1iwa s PRO 168 Ca -0.11 0.96 0.05 0.00 0.02 0.00 0.00 61.00 61.92 1iwa s PRO 168 Cb -0.02 -1.57 -0.03 0.00 0.02 0.00 0.00 34.50 32.90 1iwa s PRO 168 CO 0.06 -3.62 0.28 -0.51 -0.33 0.00 0.00 177.00 172.89 1iwa s LEU 169 N -7.16 4.13 -0.06 -5.54 1.43 -0.52 -4.96 118.68 106.01 1iwa s LEU 169 Ca 0.68 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.81 1iwa s LEU 169 Cb -0.25 -2.67 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 1iwa s LEU 169 CO 0.64 -0.03 -0.23 -0.76 0.23 0.00 0.00 176.35 176.20 1iwa s LEU 170 N -3.77 2.02 0.34 1.79 1.43 -1.26 -0.25 118.68 118.98 1iwa s LEU 170 Ca 0.33 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1iwa s LEU 170 Cb -0.09 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 1iwa s LEU 170 CO 0.27 0.21 0.22 -0.83 0.23 0.00 0.00 176.35 176.45 1iwa s GLY 171 N -0.08 2.31 -0.29 -3.19 0.00 0.00 0.09 107.32 106.16 1iwa s GLY 171 Ca -0.04 -1.80 -0.13 0.00 0.00 0.00 0.00 44.72 42.75 1iwa s GLY 171 CO 0.03 -1.57 0.69 0.00 0.00 0.00 0.00 173.10 172.26 1iwa s THR 173 N 2.29 4.81 0.30 0.00 2.01 -1.26 -0.28 115.64 123.51 1iwa s THR 173 Ca -0.08 1.83 -0.29 0.00 0.31 0.00 0.00 61.69 63.46 1iwa s THR 173 Cb -0.08 -4.22 -0.13 0.00 0.01 0.00 0.00 72.50 68.07 1iwa s THR 173 CO -0.19 -0.02 1.28 0.41 -0.69 0.00 0.00 174.62 175.40 1iwa n THR 174 N 4.82 1.63 -4.46 -0.82 -1.04 -0.81 -4.60 114.28 108.99 1iwa n THR 174 Ca 0.07 -0.41 -0.22 0.00 -2.04 0.00 0.00 64.05 61.45 1iwa n THR 174 Cb 0.48 -1.43 -0.14 0.00 -1.82 0.00 0.00 70.33 67.42 1iwa n THR 174 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1iwa s LYS 175 N -1.31 1.12 0.79 -2.82 -0.14 -1.26 -4.06 119.74 112.05 1iwa s LYS 175 Ca 0.60 -0.84 -0.13 0.00 -1.36 0.00 0.00 55.97 54.24 1iwa s LYS 175 Cb -0.62 -1.18 0.07 0.00 -1.68 0.00 0.00 37.83 34.42 1iwa s LYS 175 CO 0.58 0.30 1.19 -1.25 -0.76 0.00 0.00 175.35 175.40 1iwa s PRO 176 N -1.18 1.79 0.00 -1.68 0.04 -1.26 -5.06 135.00 127.65 1iwa s PRO 176 Ca 0.04 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1iwa s PRO 176 Cb -0.08 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1iwa s PRO 176 CO 0.02 -2.09 0.86 1.63 0.04 0.00 0.00 177.00 177.46 1iwa n LYS 177 N -3.19 0.00 -3.90 4.56 5.02 -1.26 -4.70 118.16 114.69 1iwa n LYS 177 Ca 0.13 0.68 -0.22 0.00 -2.02 0.00 0.00 58.31 56.88 1iwa n LYS 177 Cb 0.51 -1.36 -0.04 0.00 -0.02 0.00 0.00 35.03 34.11 1iwa n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1iwa s LEU 178 N -4.24 3.52 0.00 -0.35 1.43 -1.26 -4.76 118.68 113.02 1iwa s LEU 178 Ca 0.00 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1iwa s LEU 178 Cb 0.00 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.13 1iwa s LEU 178 CO 0.00 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.87 1iwa n GLY 179 N -1.30 2.15 3.77 -3.19 0.00 -1.26 -5.09 105.19 100.26 1iwa n GLY 179 Ca -0.02 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 1iwa n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwa s LEU 180 N 0.00 3.94 0.62 0.99 1.43 -1.26 -4.94 118.68 119.46 1iwa s LEU 180 Ca 0.00 2.31 -0.03 0.00 -1.03 0.00 0.00 54.13 55.38 1iwa s LEU 180 Cb 0.00 -4.32 0.04 0.00 0.03 0.00 0.00 46.19 41.94 1iwa s LEU 180 CO 0.00 -1.03 0.89 -0.94 0.23 0.00 0.00 176.35 175.49 1iwa s SER 181 N -1.42 5.12 0.03 2.29 1.04 -1.26 -4.67 113.70 114.84 1iwa s SER 181 Ca 0.66 0.27 -0.16 0.00 0.48 0.00 0.00 55.95 57.21 1iwa s SER 181 Cb -0.28 -1.08 -0.08 0.00 0.10 0.00 0.00 66.02 64.68 1iwa s SER 181 CO 0.34 -1.32 1.24 1.23 0.98 0.00 0.00 173.24 175.71 1iwa h GLY 182 N -0.23 -0.86 -0.64 7.32 0.00 -1.91 0.25 103.07 107.00 1iwa h GLY 182 Ca -0.44 0.37 0.14 0.00 0.00 0.00 0.00 47.33 47.41 1iwa h GLY 182 CO 0.57 -0.29 -0.28 1.70 0.00 0.00 0.00 176.54 178.24 1iwa h LYS 183 N -0.47 -0.05 -0.68 4.80 1.63 -1.96 0.57 116.57 120.41 1iwa h LYS 183 Ca -0.04 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.70 1iwa h LYS 183 Cb 0.39 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.01 1iwa h LYS 183 CO 0.00 -0.03 0.16 -0.91 -3.45 0.00 0.00 179.45 175.22 1iwa h ASN 184 N -0.05 1.03 -0.11 4.20 2.35 -1.94 -2.26 115.58 118.80 1iwa h ASN 184 Ca 0.33 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.89 1iwa h ASN 184 Cb 0.58 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.63 1iwa h ASN 184 CO -0.82 1.00 -0.24 0.22 -1.65 0.00 0.00 177.43 175.94 1iwa h TYR 185 N 1.02 -0.63 -0.18 1.19 3.20 0.17 0.46 116.97 122.18 1iwa h TYR 185 Ca 0.21 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.14 1iwa h TYR 185 Cb 0.38 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1iwa h TYR 185 CO 0.03 -0.32 0.13 0.78 -1.64 0.00 0.00 178.16 177.13 1iwa h GLY 186 N -0.31 0.14 0.83 1.82 0.00 -1.02 -1.47 103.07 103.06 1iwa h GLY 186 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1iwa h GLY 186 CO -0.29 0.05 -0.23 -0.09 0.00 0.00 0.00 176.54 175.98 1iwa h ARG 187 N 0.13 -0.52 -0.47 4.80 1.12 -0.33 0.35 114.38 119.46 1iwa h ARG 187 Ca 0.08 0.04 0.07 0.00 -1.11 0.00 0.00 59.98 59.06 1iwa h ARG 187 Cb 0.15 0.12 -0.06 0.00 -0.01 0.00 0.00 29.97 30.17 1iwa h ARG 187 CO -0.01 -0.35 0.12 0.28 -3.11 0.00 0.00 179.97 176.90 1iwa h VAL 188 N -0.54 0.77 -0.40 0.20 2.07 -0.54 -2.08 116.25 115.73 1iwa h VAL 188 Ca -0.02 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.45 1iwa h VAL 188 Cb 0.47 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1iwa h VAL 188 CO 0.00 0.05 0.16 0.58 0.02 0.00 0.00 177.57 178.38 1iwa h VAL 189 N 0.26 0.91 0.81 2.57 2.07 -0.86 -1.40 116.25 120.62 1iwa h VAL 189 Ca 0.23 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 1iwa h VAL 189 Cb 0.28 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1iwa h VAL 189 CO -0.28 0.06 -0.42 0.22 0.02 0.00 0.00 177.57 177.17 1iwa h TYR 190 N 0.34 -1.10 -0.51 1.57 3.20 -0.49 -1.45 116.97 118.53 1iwa h TYR 190 Ca 0.18 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.13 1iwa h TYR 190 Cb 0.14 0.37 -0.09 0.00 1.54 0.00 0.00 36.73 38.70 1iwa h TYR 190 CO -0.13 -0.66 -0.02 0.93 -1.64 0.00 0.00 178.16 176.63 1iwa h GLU 191 N -1.13 0.09 -0.50 1.82 4.39 -1.28 -0.25 114.58 117.73 1iwa h GLU 191 Ca -0.11 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.46 1iwa h GLU 191 Cb 0.88 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 1iwa h GLU 191 CO 0.16 0.06 -0.18 0.00 -1.16 0.00 0.00 179.01 177.89 1iwa h ALA 192 N 1.47 0.72 -0.13 3.43 0.00 -1.23 -1.45 119.26 122.08 1iwa h ALA 192 Ca 0.26 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1iwa h ALA 192 Cb 0.39 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1iwa h ALA 192 CO -0.45 0.67 -0.07 -0.07 0.00 0.00 0.00 179.25 179.34 1iwa h LEU 193 N 0.87 0.28 -1.15 0.00 3.38 -0.87 -2.40 115.31 115.43 1iwa h LEU 193 Ca 0.12 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1iwa h LEU 193 Cb 0.76 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1iwa h LEU 193 CO 0.06 0.64 0.38 0.50 0.09 0.00 0.00 178.44 180.11 1iwa h LYS 194 N -0.07 0.97 0.00 1.13 3.64 -1.08 -2.52 116.57 118.64 1iwa h LYS 194 Ca 0.03 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1iwa h LYS 194 Cb 0.53 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1iwa h LYS 194 CO 0.02 0.71 -0.06 0.78 -2.27 0.00 0.00 179.45 178.63 1iwa h GLY 195 N 1.02 0.00 0.00 5.01 0.00 -1.15 -3.46 103.07 104.49 1iwa h GLY 195 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1iwa h GLY 195 CO -0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.11 1iwa n GLY 196 N -1.26 0.35 3.79 4.60 0.00 -0.95 -2.56 105.19 109.16 1iwa n GLY 196 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1iwa n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwa s LEU 197 N 0.00 3.84 -0.00 0.99 1.43 -0.92 -4.78 118.68 119.24 1iwa s LEU 197 Ca 0.00 1.98 -0.05 0.00 -1.03 0.00 0.00 54.13 55.03 1iwa s LEU 197 Cb 0.00 -4.55 -0.29 0.00 0.03 0.00 0.00 46.19 41.38 1iwa s LEU 197 CO 0.00 -0.85 0.84 0.44 0.23 0.00 0.00 176.35 177.01 1iwa h ASP 198 N 1.54 0.47 -4.76 2.29 3.32 -0.67 -3.41 116.42 115.19 1iwa h ASP 198 Ca -0.50 -0.63 -0.24 0.00 0.02 0.00 0.00 57.03 55.68 1iwa h ASP 198 Cb 1.23 -0.15 -0.15 0.00 0.22 0.00 0.00 39.33 40.48 1iwa h ASP 198 CO 0.59 1.53 -0.67 -0.36 -1.72 0.00 0.00 179.24 178.61 1iwa s PHE 199 N -2.61 1.03 0.03 4.55 0.08 0.34 -2.85 117.98 118.55 1iwa s PHE 199 Ca -0.10 -1.04 -0.00 0.00 0.12 0.00 0.00 56.93 55.90 1iwa s PHE 199 Cb 0.06 -0.59 -0.03 0.00 -0.57 0.00 0.00 43.02 41.89 1iwa s PHE 199 CO 0.86 -0.27 -0.03 0.08 -0.10 0.00 0.00 175.22 175.76 1iwa s VAL 200 N -3.75 0.17 0.06 -0.44 1.01 -1.12 -2.28 120.40 114.06 1iwa s VAL 200 Ca 0.20 -1.28 -0.07 0.00 0.00 0.00 0.00 61.98 60.84 1iwa s VAL 200 Cb 0.06 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 1iwa s VAL 200 CO 0.01 -0.70 0.13 -1.59 0.00 0.00 0.00 175.10 172.95 1iwa s LYS 201 N -2.46 0.70 0.57 2.72 -2.85 0.62 -0.75 119.74 118.29 1iwa s LYS 201 Ca -0.06 -0.88 -0.16 0.00 -1.00 0.00 0.00 55.97 53.86 1iwa s LYS 201 Cb -0.03 0.28 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 1iwa s LYS 201 CO -0.05 -0.19 1.04 -0.51 0.10 0.00 0.00 175.35 175.75 1iwa s ASP 202 N -2.51 5.98 0.55 0.03 1.01 -0.97 -1.93 116.67 118.84 1iwa s ASP 202 Ca 0.00 1.79 -0.12 0.00 0.71 0.00 0.00 52.55 54.93 1iwa s ASP 202 Cb 0.02 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.37 1iwa s ASP 202 CO -0.08 -1.03 0.96 -0.62 0.21 0.00 0.00 175.17 174.62 1iwa s ASP 203 N -2.75 6.38 0.52 0.27 3.68 -1.26 -4.84 116.67 118.66 1iwa s ASP 203 Ca 0.63 1.38 0.25 0.00 2.13 0.00 0.00 52.55 56.95 1iwa s ASP 203 Cb -0.15 -2.44 1.37 0.00 -1.45 0.00 0.00 42.92 40.25 1iwa s ASP 203 CO 0.34 -0.71 1.96 1.05 0.13 0.00 0.00 175.17 177.94 1iwa h GLU 204 N 0.26 0.05 -0.30 4.34 9.09 -1.97 -0.20 114.58 125.84 1iwa h GLU 204 Ca -0.45 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 1iwa h GLU 204 Cb 1.19 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 1iwa h GLU 204 CO 0.62 0.04 0.00 0.27 0.05 0.00 0.00 179.01 179.99 1iwa n ASN 205 N -4.37 2.29 -4.43 3.06 0.23 -1.26 -4.76 115.26 106.02 1iwa n ASN 205 Ca 0.12 -1.86 -0.44 0.00 -0.53 0.00 0.00 54.58 51.88 1iwa n ASN 205 Cb 0.68 -0.20 -0.06 0.00 -2.08 0.00 0.00 39.78 38.13 1iwa n ASN 205 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1iwa s ILE 206 N -1.61 4.82 0.00 1.53 -1.09 -0.09 -4.87 121.20 119.89 1iwa s ILE 206 Ca 0.33 -0.58 0.00 0.00 -2.23 0.00 0.00 60.65 58.17 1iwa s ILE 206 Cb 0.18 -4.37 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 1iwa s ILE 206 CO 0.26 -0.92 0.00 0.59 -1.23 0.00 0.00 174.94 173.64 1iwa n ASN 207 N 6.32 0.00 -3.53 3.58 5.03 -1.26 -4.72 115.26 120.67 1iwa n ASN 207 Ca -0.07 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.24 1iwa n ASN 207 Cb 0.45 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 39.09 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 0.69 0.27 6.41 0.15 -1.26 -4.03 113.70 116.93 1iwa s SER 208 Ca 0.00 0.23 0.02 0.00 0.70 0.00 0.00 55.95 56.90 1iwa s SER 208 Cb 0.00 0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 64.96 1iwa s SER 208 CO 0.00 -0.28 0.15 -1.10 1.20 0.00 0.00 173.24 173.20 1iwa s GLN 209 N 2.42 1.46 0.53 5.44 1.11 -0.54 -4.92 119.66 125.16 1iwa s GLN 209 Ca 0.06 -1.81 0.23 0.00 0.01 0.00 0.00 55.36 53.85 1iwa s GLN 209 Cb -0.14 0.01 1.39 0.00 -1.01 0.00 0.00 33.01 33.25 1iwa s GLN 209 CO -0.11 -0.42 2.05 -1.35 0.01 0.00 0.00 175.29 175.46 1iwa h PRO 210 N 2.35 0.00 0.00 2.91 0.11 -2.01 -1.08 132.00 134.28 1iwa h PRO 210 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1iwa h PRO 210 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1iwa h PRO 210 CO 0.53 0.00 -0.34 1.97 -0.21 0.00 0.00 178.00 179.94 1iwa n PHE 211 N -4.36 0.39 -3.15 0.65 1.16 -1.26 -4.79 117.46 106.09 1iwa n PHE 211 Ca 0.06 0.11 0.05 0.00 -1.87 0.00 0.00 57.45 55.80 1iwa n PHE 211 Cb 0.44 -0.58 -0.02 0.00 -1.61 0.00 0.00 39.48 37.71 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 -3.08 0.22 0.56 3.97 0.00 -0.42 -4.52 119.30 116.02 1iwa s MET 212 Ca 0.10 0.37 -0.14 0.00 0.00 0.00 0.00 55.69 56.02 1iwa s MET 212 Cb 0.15 0.20 -0.06 0.00 0.00 0.00 0.00 34.83 35.13 1iwa s MET 212 CO 0.65 -0.25 1.01 1.03 0.00 0.00 0.00 175.02 177.46 1iwa s ARG 213 N 2.95 3.79 0.27 4.11 1.81 -1.16 -1.46 118.95 129.25 1iwa s ARG 213 Ca 0.02 0.87 0.00 0.00 -1.72 0.00 0.00 55.73 54.90 1iwa s ARG 213 Cb -0.10 -2.11 0.37 0.00 -0.45 0.00 0.00 34.95 32.66 1iwa s ARG 213 CO -0.13 -0.41 1.74 0.11 -0.68 0.00 0.00 175.30 175.94 1iwa h TRP 214 N 0.37 0.69 -0.92 -0.53 5.08 -1.90 -3.30 115.95 115.43 1iwa h TRP 214 Ca -0.46 -0.12 0.03 0.00 1.08 0.00 0.00 58.89 59.42 1iwa h TRP 214 Cb 1.19 -0.18 -0.05 0.00 -3.00 0.00 0.00 29.16 27.12 1iwa h TRP 214 CO 0.65 0.74 0.60 0.00 -1.28 0.00 0.00 178.44 179.15 1iwa h ARG 215 N 0.58 1.16 -0.48 0.12 3.08 -1.94 -1.99 114.38 114.91 1iwa h ARG 215 Ca 0.10 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1iwa h ARG 215 Cb 0.57 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1iwa h ARG 215 CO 0.04 0.77 0.23 0.93 -1.07 0.00 0.00 179.97 180.86 1iwa h GLU 216 N 1.19 0.68 -0.88 0.04 5.08 -1.98 -1.77 114.58 116.94 1iwa h GLU 216 Ca 0.36 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.66 1iwa h GLU 216 Cb -0.04 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.03 1iwa h GLU 216 CO -0.11 0.58 0.56 -0.09 -1.00 0.00 0.00 179.01 178.95 1iwa h ARG 217 N 0.62 1.04 -0.19 2.33 2.43 -1.57 -1.18 114.38 117.87 1iwa h ARG 217 Ca 0.16 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1iwa h ARG 217 Cb 0.12 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1iwa h ARG 217 CO -0.02 0.69 0.07 1.88 -1.51 0.00 0.00 179.97 181.07 1iwa h TYR 218 N 1.07 0.30 0.47 2.20 -1.99 -1.01 -0.29 116.97 117.72 1iwa h TYR 218 Ca 0.36 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 61.04 1iwa h TYR 218 Cb 0.06 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 38.71 1iwa h TYR 218 CO -0.02 0.37 -0.22 -0.07 -0.00 0.00 0.00 178.16 178.22 1iwa h LEU 219 N 0.14 -0.53 -0.68 3.88 -0.00 -0.93 -1.83 115.31 115.36 1iwa h LEU 219 Ca 0.06 0.02 0.13 0.00 -0.00 0.00 0.00 57.88 58.09 1iwa h LEU 219 Cb 0.21 0.14 -0.09 0.00 -0.00 0.00 0.00 40.66 40.91 1iwa h LEU 219 CO -0.00 -0.38 0.20 -0.26 -0.00 0.00 0.00 178.44 178.00 1iwa h PHE 220 N -0.64 0.32 -0.69 1.13 -1.00 -1.31 -1.46 116.94 113.29 1iwa h PHE 220 Ca -0.06 0.04 0.01 0.00 2.81 0.00 0.00 57.97 60.76 1iwa h PHE 220 Cb 0.48 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 39.97 1iwa h PHE 220 CO 0.12 -0.01 0.46 1.15 -1.61 0.00 0.00 178.31 178.42 1iwa h THR 221 N 0.33 1.17 -0.12 -1.55 2.02 -1.04 -1.20 112.91 112.51 1iwa h THR 221 Ca 0.37 -0.32 -0.12 0.00 0.77 0.00 0.00 66.41 67.11 1iwa h THR 221 Cb 0.56 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1iwa h THR 221 CO -0.42 0.17 -0.45 0.24 0.37 0.00 0.00 175.52 175.43 1iwa h MET 222 N 0.93 0.29 -0.40 6.66 2.86 -0.38 0.12 114.93 124.99 1iwa h MET 222 Ca 0.26 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1iwa h MET 222 Cb -0.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 1iwa h MET 222 CO -0.06 0.68 0.08 1.49 1.06 0.00 0.00 176.91 180.17 1iwa h GLU 223 N 0.24 0.66 -0.54 1.72 4.57 -0.92 -1.78 114.58 118.52 1iwa h GLU 223 Ca 0.02 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 1iwa h GLU 223 Cb 0.88 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.37 1iwa h GLU 223 CO 0.07 0.69 0.29 0.00 -1.18 0.00 0.00 179.01 178.88 1iwa h ALA 224 N 0.94 0.70 -0.60 2.92 0.00 -0.86 -1.44 119.26 120.91 1iwa h ALA 224 Ca 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1iwa h ALA 224 Cb 0.34 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1iwa h ALA 224 CO 0.00 0.22 0.29 0.28 0.00 0.00 0.00 179.25 180.05 1iwa h VAL 225 N 0.73 1.21 -0.24 0.00 2.07 -0.83 -1.65 116.25 117.53 1iwa h VAL 225 Ca 0.19 -0.58 -0.15 0.00 0.82 0.00 0.00 66.70 66.97 1iwa h VAL 225 Cb 0.06 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1iwa h VAL 225 CO -0.03 0.24 -0.47 0.78 0.02 0.00 0.00 177.57 178.11 1iwa h ASN 226 N 0.82 0.69 -0.37 0.57 2.35 -1.15 -1.50 115.58 116.99 1iwa h ASN 226 Ca 0.21 -0.34 -0.04 0.00 -0.55 0.00 0.00 56.30 55.59 1iwa h ASN 226 Cb 0.11 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1iwa h ASN 226 CO -0.03 1.05 0.09 0.11 -1.65 0.00 0.00 177.43 177.00 1iwa h LYS 227 N 0.51 0.59 -0.48 0.81 1.57 -1.15 -0.92 116.57 117.49 1iwa h LYS 227 Ca 0.03 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1iwa h LYS 227 Cb 1.01 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 1iwa h LYS 227 CO 0.09 0.63 0.27 0.00 -0.57 0.00 0.00 179.45 179.87 1iwa h ALA 228 N 0.93 0.61 -0.28 3.86 0.00 -1.17 0.28 119.26 123.50 1iwa h ALA 228 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1iwa h ALA 228 Cb 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1iwa h ALA 228 CO 0.00 -0.06 0.17 1.03 0.00 0.00 0.00 179.25 180.39 1iwa h SER 229 N 0.53 0.29 0.50 0.00 0.87 -1.05 -0.92 113.55 113.77 1iwa h SER 229 Ca 0.20 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1iwa h SER 229 Cb 0.06 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1iwa h SER 229 CO -0.11 0.21 -0.10 0.00 -0.53 0.00 0.00 176.83 176.30 1iwa h ALA 230 N 1.11 1.16 -0.01 6.23 0.00 -0.53 0.40 119.26 127.63 1iwa h ALA 230 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1iwa h ALA 230 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1iwa h ALA 230 CO -0.04 0.12 -0.34 0.00 0.00 0.00 0.00 179.25 179.00 1iwa n ALA 231 N -2.21 3.25 0.00 0.00 0.00 0.92 -4.46 120.51 118.00 1iwa n ALA 231 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1iwa n ALA 231 Cb 0.25 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1iwa n ALA 231 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iwa n THR 232 N -0.71 0.00 -0.91 0.00 -2.24 -0.46 -5.03 114.28 104.94 1iwa n THR 232 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1iwa n THR 232 Cb 0.36 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1iwa n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iwa n GLY 233 N 1.06 0.45 3.60 3.38 0.00 0.14 -5.05 105.19 108.76 1iwa n GLY 233 Ca 0.00 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.69 2.10 -0.41 1.61 2.02 -1.23 -5.08 118.70 116.02 1iwa s GLU 234 Ca 0.00 -1.56 -0.24 0.00 0.02 0.00 0.00 54.97 53.19 1iwa s GLU 234 Cb 0.00 -2.02 0.02 0.00 0.10 0.00 0.00 34.13 32.23 1iwa s GLU 234 CO 0.00 0.32 0.83 0.08 0.02 0.00 0.00 175.26 176.51 1iwa s VAL 235 N -2.40 4.64 0.32 2.63 1.01 -1.26 -4.44 120.40 120.89 1iwa s VAL 235 Ca 0.32 0.78 0.06 0.00 0.00 0.00 0.00 61.98 63.14 1iwa s VAL 235 Cb -0.05 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 1iwa s VAL 235 CO 0.19 -0.60 0.44 -0.54 0.00 0.00 0.00 175.10 174.58 1iwa s LYS 236 N 3.33 3.14 0.02 2.72 -0.14 -1.26 -4.99 119.74 122.56 1iwa s LYS 236 Ca 0.33 -0.99 -0.27 0.00 -1.36 0.00 0.00 55.97 53.68 1iwa s LYS 236 Cb -0.12 -2.81 0.07 0.00 -1.68 0.00 0.00 37.83 33.29 1iwa s LYS 236 CO 0.21 0.12 0.63 0.20 -0.76 0.00 0.00 175.35 175.75 1iwa s GLY 237 N -4.13 -0.56 -0.05 -3.33 0.00 -1.13 -4.79 107.32 93.32 1iwa s GLY 237 Ca 0.43 0.97 0.01 0.00 0.00 0.00 0.00 44.72 46.13 1iwa s GLY 237 CO 0.30 0.63 -0.06 -1.58 0.00 0.00 0.00 173.10 172.40 1iwa s HIS 238 N -2.08 0.92 -0.52 1.90 2.46 -1.26 -2.78 115.29 113.94 1iwa s HIS 238 Ca -0.07 -0.30 -0.27 0.00 0.47 0.00 0.00 55.06 54.89 1iwa s HIS 238 Cb -0.00 -0.79 -0.02 0.00 -0.13 0.00 0.00 32.58 31.64 1iwa s HIS 238 CO 0.02 -0.24 1.83 0.71 -2.47 0.00 0.00 174.74 174.59 1iwa s TYR 239 N 0.99 1.74 -0.25 3.88 1.51 0.07 -4.65 117.35 120.63 1iwa s TYR 239 Ca -0.10 0.75 -0.24 0.00 -1.01 0.00 0.00 57.07 56.47 1iwa s TYR 239 Cb -0.14 -4.10 -0.00 0.00 -0.11 0.00 0.00 41.96 37.60 1iwa s TYR 239 CO -0.00 -2.47 0.82 -0.51 -1.11 0.00 0.00 175.55 172.28 1iwa s LEU 240 N 8.29 4.08 -0.23 -1.29 1.43 -1.24 -2.28 118.68 127.44 1iwa s LEU 240 Ca 0.71 0.99 -0.28 0.00 -1.03 0.00 0.00 54.13 54.51 1iwa s LEU 240 Cb -0.16 -3.17 0.01 0.00 0.03 0.00 0.00 46.19 42.90 1iwa s LEU 240 CO 0.25 -0.53 1.00 0.21 0.23 0.00 0.00 176.35 177.51 1iwa s ASN 241 N 1.38 7.06 0.00 2.29 3.04 -1.26 -0.75 114.94 126.70 1iwa s ASN 241 Ca 0.35 1.33 0.18 0.00 0.04 0.00 0.00 52.86 54.76 1iwa s ASN 241 Cb -0.15 -2.52 0.48 0.00 -1.54 0.00 0.00 41.25 37.52 1iwa s ASN 241 CO 0.08 -0.63 1.40 1.33 -3.04 0.00 0.00 177.10 176.23 1iwa n VAL 242 N 5.27 0.87 -1.67 -5.21 0.24 -0.74 -4.88 118.33 112.22 1iwa n VAL 242 Ca 0.11 -0.94 -0.46 0.00 -2.04 0.00 0.00 64.34 61.01 1iwa n VAL 242 Cb 0.46 0.61 -0.04 0.00 -1.47 0.00 0.00 33.84 33.40 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 1.23 0.07 -3.95 3.34 -1.04 -1.26 -4.38 114.28 108.28 1iwa n THR 243 Ca 0.19 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.05 62.08 1iwa n THR 243 Cb 0.54 -1.56 -0.03 0.00 -1.82 0.00 0.00 70.33 67.46 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 1.29 -0.25 0.21 2.41 0.00 -1.26 -4.83 121.76 119.34 1iwa s ALA 244 Ca 0.81 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 1iwa s ALA 244 Cb -0.69 0.96 0.18 0.00 0.00 0.00 0.00 23.12 23.57 1iwa s ALA 244 CO 0.40 -0.90 1.64 0.00 0.00 0.00 0.00 175.76 176.90 1iwa h ALA 245 N 2.12 0.89 -2.19 0.00 0.00 -1.97 -3.46 119.26 114.64 1iwa h ALA 245 Ca -0.27 -0.35 -0.47 0.00 0.00 0.00 0.00 54.91 53.82 1iwa h ALA 245 Cb 1.25 -0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.73 1iwa h ALA 245 CO 0.36 0.63 -0.73 0.95 0.00 0.00 0.00 179.25 180.46 1iwa s THR 246 N -4.72 1.78 0.24 0.00 -4.23 -1.26 -5.04 115.64 102.41 1iwa s THR 246 Ca -0.10 -2.21 -0.06 0.00 -1.18 0.00 0.00 61.69 58.13 1iwa s THR 246 Cb 0.13 -2.14 0.23 0.00 1.34 0.00 0.00 72.50 72.07 1iwa s THR 246 CO 0.84 -0.53 1.89 -0.03 -0.54 0.00 0.00 174.62 176.25 1iwa h MET 247 N 2.49 1.29 -0.74 3.99 4.05 -1.99 -1.62 114.93 122.39 1iwa h MET 247 Ca -0.39 -0.12 0.01 0.00 -0.28 0.00 0.00 59.70 58.93 1iwa h MET 247 Cb 1.23 -0.27 -0.04 0.00 -0.80 0.00 0.00 31.60 31.72 1iwa h MET 247 CO 0.63 0.90 0.49 0.93 0.23 0.00 0.00 176.91 180.09 1iwa h GLU 248 N 1.32 0.96 -0.42 0.39 3.07 -1.99 0.05 114.58 117.96 1iwa h GLU 248 Ca 0.34 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 59.01 1iwa h GLU 248 Cb -0.06 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.62 1iwa h GLU 248 CO -0.06 0.64 -0.27 1.49 -1.40 0.00 0.00 179.01 179.40 1iwa h GLU 249 N 0.99 0.93 -0.72 2.33 4.57 -1.88 -1.38 114.58 119.42 1iwa h GLU 249 Ca 0.28 -0.43 -0.04 0.00 -1.18 0.00 0.00 59.36 57.98 1iwa h GLU 249 Cb -0.09 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 1iwa h GLU 249 CO -0.07 1.09 0.28 0.52 -1.18 0.00 0.00 179.01 179.66 1iwa h MET 250 N 0.75 1.07 -0.56 1.92 2.86 -0.94 -1.77 114.93 118.27 1iwa h MET 250 Ca 0.08 -0.19 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1iwa h MET 250 Cb 0.85 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1iwa h MET 250 CO 0.08 0.88 0.13 1.88 1.06 0.00 0.00 176.91 180.94 1iwa h TYR 251 N 1.02 0.88 -0.75 -0.22 0.05 -0.86 -0.01 116.97 117.08 1iwa h TYR 251 Ca 0.24 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.90 1iwa h TYR 251 Cb 0.21 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.66 1iwa h TYR 251 CO 0.02 0.74 0.34 0.00 -1.05 0.00 0.00 178.16 178.21 1iwa h ALA 252 N 1.32 0.97 0.04 3.88 0.00 -0.53 0.72 119.26 125.66 1iwa h ALA 252 Ca 0.18 -0.16 -0.28 0.00 0.00 0.00 0.00 54.91 54.65 1iwa h ALA 252 Cb 0.30 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1iwa h ALA 252 CO -0.00 0.55 -1.10 0.00 0.00 0.00 0.00 179.25 178.70 1iwa h ARG 253 N 1.07 0.68 -0.42 0.00 3.08 -0.97 -2.62 114.38 115.18 1iwa h ARG 253 Ca 0.26 -0.78 -0.03 0.00 0.07 0.00 0.00 59.98 59.49 1iwa h ARG 253 Cb 0.15 0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1iwa h ARG 253 CO -0.03 1.35 0.13 0.00 -1.07 0.00 0.00 179.97 180.35 1iwa h ALA 254 N 0.36 0.55 -0.46 0.04 0.00 -0.89 -1.21 119.26 117.64 1iwa h ALA 254 Ca -0.15 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1iwa h ALA 254 Cb 1.76 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1iwa h ALA 254 CO 0.22 0.20 0.09 -0.91 0.00 0.00 0.00 179.25 178.84 1iwa h ASN 255 N 0.54 0.66 -0.38 0.00 -0.26 -0.93 -0.03 115.58 115.18 1iwa h ASN 255 Ca 0.14 -0.12 -0.13 0.00 -0.56 0.00 0.00 56.30 55.63 1iwa h ASN 255 Cb 0.26 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 1iwa h ASN 255 CO -0.00 0.67 -0.26 0.15 -1.06 0.00 0.00 177.43 176.93 1iwa h PHE 256 N 0.69 1.04 -0.96 1.19 3.57 -1.23 0.34 116.94 121.57 1iwa h PHE 256 Ca 0.15 -0.26 0.01 0.00 3.53 0.00 0.00 57.97 61.40 1iwa h PHE 256 Cb 0.29 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 1iwa h PHE 256 CO 0.01 1.06 0.63 0.00 -2.23 0.00 0.00 178.31 177.78 1iwa h ALA 257 N 0.93 1.22 -0.56 2.41 0.00 -0.58 -1.60 119.26 121.08 1iwa h ALA 257 Ca 0.09 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1iwa h ALA 257 Cb 0.82 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1iwa h ALA 257 CO 0.07 0.63 -0.06 -0.22 0.00 0.00 0.00 179.25 179.67 1iwa h LYS 258 N 1.31 1.02 -0.33 0.00 3.64 -0.47 -2.64 116.57 119.10 1iwa h LYS 258 Ca 0.35 -0.35 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 1iwa h LYS 258 Cb -0.13 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 1iwa h LYS 258 CO -0.07 1.03 -0.15 0.93 -2.27 0.00 0.00 179.45 178.92 1iwa h GLU 259 N 0.92 0.59 -0.00 1.90 5.08 -0.27 -3.02 114.58 119.78 1iwa h GLU 259 Ca 0.15 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1iwa h GLU 259 Cb 0.61 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1iwa h GLU 259 CO 0.04 0.72 -0.05 1.28 -1.00 0.00 0.00 179.01 180.00 1iwa n LEU 260 N -4.17 0.18 0.00 1.33 4.77 -0.66 -4.93 117.00 113.52 1iwa n LEU 260 Ca 0.01 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1iwa n LEU 260 Cb 0.36 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1iwa n LEU 260 CO 0.42 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1iwa n GLY 261 N 1.29 0.49 3.63 -0.72 0.00 -1.14 -5.04 105.19 103.69 1iwa n GLY 261 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 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 1.83 0.11 1.61 2.88 -1.00 -4.89 113.62 114.16 1iwa n SER 262 Ca 0.00 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 58.84 1iwa n SER 262 Cb 0.00 -1.35 0.06 0.00 -0.75 0.00 0.00 64.21 62.17 1iwa n SER 262 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1iwa h VAL 263 N 2.27 0.00 -3.12 2.46 3.04 -1.90 -3.45 116.25 115.55 1iwa h VAL 263 Ca -0.42 -0.87 -0.10 0.00 -1.01 0.00 0.00 66.70 64.29 1iwa h VAL 263 Cb 1.32 1.45 -0.19 0.00 -2.01 0.00 0.00 31.29 31.86 1iwa h VAL 263 CO 0.63 0.00 -0.25 -0.51 -1.01 0.00 0.00 177.57 176.43 1iwa s ILE 264 N -3.30 0.07 0.21 3.17 2.07 -1.26 -1.58 121.20 120.58 1iwa s ILE 264 Ca 0.02 -0.55 -0.00 0.00 -1.41 0.00 0.00 60.65 58.71 1iwa s ILE 264 Cb 0.10 -0.77 -0.04 0.00 0.13 0.00 0.00 42.46 41.87 1iwa s ILE 264 CO 0.76 -0.30 0.13 0.27 -1.91 0.00 0.00 174.94 173.89 1iwa s ILE 265 N -1.89 0.06 0.09 2.00 -4.36 -0.33 -3.72 121.20 113.05 1iwa s ILE 265 Ca -0.10 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.31 1iwa s ILE 265 Cb -0.03 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 1iwa s ILE 265 CO 0.01 0.00 -0.06 0.00 0.24 0.00 0.00 174.94 175.13 1iwa s MET 266 N -4.11 0.80 0.04 0.37 0.23 0.07 -1.32 119.30 115.38 1iwa s MET 266 Ca 0.39 -1.32 -0.07 0.00 -1.03 0.00 0.00 55.69 53.66 1iwa s MET 266 Cb 0.07 -0.14 -0.00 0.00 -1.53 0.00 0.00 34.83 33.23 1iwa s MET 266 CO 0.13 -0.03 0.15 0.96 -2.03 0.00 0.00 175.02 174.19 1iwa s ILE 267 N -3.67 0.12 -0.12 3.16 -4.36 -0.41 -1.79 121.20 114.13 1iwa s ILE 267 Ca 0.11 -0.98 -0.06 0.00 -0.26 0.00 0.00 60.65 59.46 1iwa s ILE 267 Cb 0.06 -0.88 -0.04 0.00 1.25 0.00 0.00 42.46 42.85 1iwa s ILE 267 CO -0.06 -0.54 0.12 -1.81 0.24 0.00 0.00 174.94 172.89 1iwa s ASP 268 N -2.07 6.18 0.63 4.36 1.01 -1.26 -1.68 116.67 123.84 1iwa s ASP 268 Ca -0.05 0.40 0.29 0.00 0.71 0.00 0.00 52.55 53.90 1iwa s ASP 268 Cb -0.01 -1.97 1.58 0.00 1.01 0.00 0.00 42.92 43.52 1iwa s ASP 268 CO -0.04 0.39 1.93 0.25 0.21 0.00 0.00 175.17 177.91 1iwa h LEU 270 N 5.10 0.00 -0.80 1.23 5.85 -1.03 -0.90 115.31 124.76 1iwa h LEU 270 Ca -0.53 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1iwa h LEU 270 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1iwa h LEU 270 CO 0.58 0.00 0.00 0.55 -0.34 0.00 0.00 178.44 179.23 1iwa n VAL 271 N -3.26 0.88 0.16 1.05 3.14 -1.25 -2.19 118.33 116.86 1iwa n VAL 271 Ca 0.02 0.32 0.01 0.00 -2.96 0.00 0.00 64.34 61.73 1iwa n VAL 271 Cb 0.47 -1.26 0.28 0.00 -1.06 0.00 0.00 33.84 32.27 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 1.34 0.00 1.55 3.07 -1.54 -3.49 117.51 118.44 1iwa h ILE 272 Ca 0.00 -1.62 0.00 0.00 1.55 0.00 0.00 64.86 64.79 1iwa h ILE 272 Cb 0.29 1.87 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 1iwa h ILE 272 CO 0.00 0.46 0.00 0.61 -1.05 0.00 0.00 178.15 178.17 1iwa n GLY 273 N -0.17 2.57 0.28 0.16 0.00 -0.93 -4.66 105.19 102.44 1iwa n GLY 273 Ca -0.02 -1.89 0.03 0.00 0.00 0.00 0.00 46.02 44.14 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 0.64 -0.36 1.61 0.05 -1.95 -0.30 116.97 116.67 1iwa h TYR 274 Ca 0.00 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.68 1iwa h TYR 274 Cb 0.00 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 1iwa h TYR 274 CO 0.00 0.20 -0.31 1.15 -1.05 0.00 0.00 178.16 178.16 1iwa h THR 275 N 0.59 1.28 -0.51 -2.88 2.02 -1.99 -0.44 112.91 110.98 1iwa h THR 275 Ca 0.38 -1.47 -0.09 0.00 0.77 0.00 0.00 66.41 65.99 1iwa h THR 275 Cb 0.44 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1iwa h THR 275 CO -0.30 0.49 -0.05 0.00 0.37 0.00 0.00 175.52 176.02 1iwa h ALA 276 N 0.76 0.95 -0.00 6.16 0.00 -1.71 -1.52 119.26 123.90 1iwa h ALA 276 Ca 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1iwa h ALA 276 Cb 0.89 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1iwa h ALA 276 CO 0.08 0.62 0.00 0.82 0.00 0.00 0.00 179.25 180.77 1iwa h ILE 277 N 0.81 1.05 -0.85 0.00 2.04 -0.81 -0.48 117.51 119.28 1iwa h ILE 277 Ca 0.14 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1iwa h ILE 277 Cb 0.56 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 1iwa h ILE 277 CO 0.03 0.04 0.49 1.56 0.00 0.00 0.00 178.15 180.27 1iwa h GLN 278 N -0.05 1.16 -0.73 2.37 4.20 -0.94 0.26 115.11 121.38 1iwa h GLN 278 Ca 0.00 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1iwa h GLN 278 Cb 0.06 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 1iwa h GLN 278 CO -0.00 0.83 0.42 1.15 -0.67 0.00 0.00 178.83 180.56 1iwa h THR 279 N 1.18 1.22 -0.08 -0.54 2.02 -0.95 -1.70 112.91 114.05 1iwa h THR 279 Ca 0.30 -0.51 -0.16 0.00 0.77 0.00 0.00 66.41 66.81 1iwa h THR 279 Cb -0.01 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1iwa h THR 279 CO -0.05 0.23 -0.66 0.24 0.37 0.00 0.00 175.52 175.64 1iwa h MET 280 N 1.00 0.32 -0.76 6.66 2.86 -0.32 -1.99 114.93 122.71 1iwa h MET 280 Ca 0.26 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1iwa h MET 280 Cb -0.00 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1iwa h MET 280 CO -0.05 0.87 0.30 0.00 1.06 0.00 0.00 176.91 179.09 1iwa h ALA 281 N 1.07 1.09 -0.37 6.32 0.00 -0.11 0.96 119.26 128.23 1iwa h ALA 281 Ca -0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1iwa h ALA 281 Cb 1.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1iwa h ALA 281 CO 0.11 0.64 -0.25 -0.22 0.00 0.00 0.00 179.25 179.53 1iwa h LYS 282 N 1.10 0.82 -0.55 0.00 3.64 -1.21 -2.31 116.57 118.07 1iwa h LYS 282 Ca 0.25 -0.39 0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1iwa h LYS 282 Cb 0.21 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1iwa h LYS 282 CO -0.02 1.03 0.31 2.35 -2.27 0.00 0.00 179.45 180.85 1iwa h TRP 283 N 0.62 0.58 -0.58 1.91 7.01 -0.74 -0.31 115.95 124.44 1iwa h TRP 283 Ca 0.07 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.06 1iwa h TRP 283 Cb 0.82 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.67 1iwa h TRP 283 CO 0.06 0.31 0.23 0.00 -2.79 0.00 0.00 178.44 176.25 1iwa h ALA 284 N 1.27 0.75 -0.29 2.65 0.00 -0.73 0.73 119.26 123.63 1iwa h ALA 284 Ca 0.23 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1iwa h ALA 284 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1iwa h ALA 284 CO -0.13 0.36 -0.04 -0.09 0.00 0.00 0.00 179.25 179.35 1iwa h ARG 285 N 0.79 0.46 0.00 0.00 9.65 -1.05 -1.65 114.38 122.58 1iwa h ARG 285 Ca 0.19 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1iwa h ARG 285 Cb 0.20 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1iwa h ARG 285 CO -0.02 0.52 -0.04 -0.25 2.80 0.00 0.00 179.97 182.98 1iwa n ASP 286 N -4.27 0.75 -0.49 -3.80 10.43 -0.16 -4.06 116.55 114.96 1iwa n ASP 286 Ca 0.01 0.54 0.06 0.00 2.57 0.00 0.00 54.79 57.97 1iwa n ASP 286 Cb 0.26 -0.71 0.12 0.00 1.84 0.00 0.00 41.12 42.63 1iwa n ASP 286 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1iwa n ASN 287 N -2.20 1.54 -4.17 -2.24 3.02 0.19 -5.02 115.26 106.39 1iwa n ASN 287 Ca 0.06 -2.96 -0.32 0.00 -0.03 0.00 0.00 54.58 51.33 1iwa n ASN 287 Cb 0.42 -0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.82 -0.25 -4.35 6.41 9.92 -0.69 -4.96 116.55 121.82 1iwa n ASP 288 Ca 0.12 -1.20 -0.28 0.00 -0.53 0.00 0.00 54.79 52.90 1iwa n ASP 288 Cb 0.73 -2.05 -0.14 0.00 -0.64 0.00 0.00 41.12 39.02 1iwa n ASP 288 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1iwa s MET 289 N -7.13 1.52 -0.07 -1.24 1.75 -1.02 -4.97 119.30 108.14 1iwa s MET 289 Ca 0.08 -1.19 -0.23 0.00 -1.25 0.00 0.00 55.69 53.10 1iwa s MET 289 Cb -0.04 -1.83 -0.04 0.00 2.84 0.00 0.00 34.83 35.76 1iwa s MET 289 CO 0.96 0.45 0.67 0.42 -0.65 0.00 0.00 175.02 176.87 1iwa s ILE 290 N -0.95 5.07 -0.38 10.11 1.01 -0.61 -4.60 121.20 130.85 1iwa s ILE 290 Ca 0.12 1.37 -0.07 0.00 0.00 0.00 0.00 60.65 62.07 1iwa s ILE 290 Cb -0.10 -4.01 0.07 0.00 0.01 0.00 0.00 42.46 38.43 1iwa s ILE 290 CO 0.04 0.26 0.17 -0.22 0.00 0.00 0.00 174.94 175.19 1iwa s LEU 291 N 0.76 4.74 -0.10 2.97 2.96 -1.26 -1.19 118.68 127.56 1iwa s LEU 291 Ca 0.36 -1.42 -0.17 0.00 -0.22 0.00 0.00 54.13 52.68 1iwa s LEU 291 Cb -0.17 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 1iwa s LEU 291 CO 0.17 -0.43 0.44 -2.28 -1.32 0.00 0.00 176.35 172.93 1iwa s HIS 292 N 1.36 3.54 -0.22 5.38 5.65 -0.43 -0.17 115.29 130.40 1iwa s HIS 292 Ca 0.01 0.87 -0.03 0.00 0.25 0.00 0.00 55.06 56.16 1iwa s HIS 292 Cb -0.21 -2.48 0.00 0.00 -1.18 0.00 0.00 32.58 28.71 1iwa s HIS 292 CO 0.01 0.26 -0.07 -1.17 -0.65 0.00 0.00 174.74 173.12 1iwa s LEU 293 N 0.32 2.87 -0.23 8.88 2.96 -0.59 -1.29 118.68 131.61 1iwa s LEU 293 Ca 0.24 -0.54 -0.17 0.00 -0.22 0.00 0.00 54.13 53.44 1iwa s LEU 293 Cb -0.15 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1iwa s LEU 293 CO 0.10 -0.05 0.46 -2.28 -1.32 0.00 0.00 176.35 173.27 1iwa s HIS 294 N 1.42 3.32 0.00 5.38 5.65 -0.68 -3.27 115.29 127.12 1iwa s HIS 294 Ca 0.04 0.64 0.00 0.00 0.25 0.00 0.00 55.06 55.99 1iwa s HIS 294 Cb -0.15 -2.63 0.00 0.00 -1.18 0.00 0.00 32.58 28.62 1iwa s HIS 294 CO -0.05 -0.15 1.05 2.89 -0.65 0.00 0.00 174.74 177.83 1iwa n ARG 295 N 5.00 0.54 -1.65 2.88 -4.01 -1.26 -0.52 116.66 117.64 1iwa n ARG 295 Ca -0.06 0.00 -0.54 0.00 -1.04 0.00 0.00 57.85 56.21 1iwa n ARG 295 Cb 0.50 -1.23 -0.06 0.00 -3.04 0.00 0.00 32.46 28.63 1iwa n ARG 295 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1iwa n ALA 296 N 1.66 -0.55 0.00 2.89 0.00 -1.26 -1.58 120.51 121.67 1iwa n ALA 296 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1iwa n ALA 296 Cb 0.27 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1iwa n ALA 296 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iwa n GLY 297 N 3.29 2.56 0.36 0.00 0.00 -1.26 -3.76 105.19 106.38 1iwa n GLY 297 Ca 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 1iwa n GLY 297 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1iwa h ASN 298 N 0.00 -1.23 0.00 1.61 -1.24 -1.70 -0.43 115.58 112.59 1iwa h ASN 298 Ca 0.00 0.23 0.00 0.00 0.71 0.00 0.00 56.30 57.24 1iwa h ASN 298 Cb 0.00 0.60 0.00 0.00 0.73 0.00 0.00 38.32 39.65 1iwa h ASN 298 CO 0.00 -0.31 0.03 -1.20 -1.29 0.00 0.00 177.43 174.66 1iwa n SER 299 N -5.43 0.00 0.20 1.15 7.64 -1.26 -1.58 113.62 114.34 1iwa n SER 299 Ca 0.04 0.29 0.05 0.00 1.01 0.00 0.00 58.87 60.25 1iwa n SER 299 Cb 0.35 -0.29 0.41 0.00 -1.01 0.00 0.00 64.21 63.68 1iwa n SER 299 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iwa h THR 300 N 0.00 1.06 0.00 0.44 1.03 -1.48 -3.15 112.91 110.81 1iwa h THR 300 Ca 0.00 -1.25 0.00 0.00 -0.01 0.00 0.00 66.41 65.15 1iwa h THR 300 Cb 0.06 1.71 0.00 0.00 -1.07 0.00 0.00 68.15 68.85 1iwa h THR 300 CO 0.00 0.33 0.00 0.00 -0.01 0.00 0.00 175.52 175.84 1iwa n TYR 301 N -3.86 0.00 0.41 0.00 0.18 -0.61 -4.83 117.16 108.45 1iwa n TYR 301 Ca -0.01 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.84 1iwa n TYR 301 Cb 0.41 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.27 1iwa n TYR 301 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1iwa n SER 302 N -0.14 1.03 0.13 9.48 3.41 -0.88 -1.18 113.62 125.46 1iwa n SER 302 Ca 0.00 -0.50 -0.13 0.00 -0.26 0.00 0.00 58.87 57.98 1iwa n SER 302 Cb 0.09 1.29 -0.08 0.00 -0.26 0.00 0.00 64.21 65.24 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 -0.31 -7.05 4.33 9.65 -1.81 -3.44 114.38 115.76 1iwa h ARG 303 Ca 0.00 0.02 -0.47 0.00 -1.10 0.00 0.00 59.98 58.43 1iwa h ARG 303 Cb 0.50 0.07 0.02 0.00 -1.39 0.00 0.00 29.97 29.17 1iwa h ARG 303 CO 0.00 -0.02 0.39 -0.65 2.80 0.00 0.00 179.97 182.49 1iwa s GLN 304 N -4.96 3.88 0.10 0.20 -1.52 -1.26 -3.57 119.66 112.52 1iwa s GLN 304 Ca -0.15 1.39 0.24 0.00 -1.95 0.00 0.00 55.36 54.90 1iwa s GLN 304 Cb 0.03 -2.19 0.35 0.00 -0.22 0.00 0.00 33.01 30.99 1iwa s GLN 304 CO 0.59 -0.37 1.32 1.17 -0.25 0.00 0.00 175.29 177.75 1iwa n LYS 305 N -0.78 0.25 0.02 2.91 4.81 -1.26 -4.13 118.16 119.98 1iwa n LYS 305 Ca 0.08 0.07 0.03 0.00 -0.87 0.00 0.00 58.31 57.63 1iwa n LYS 305 Cb 0.52 -1.65 -0.09 0.00 0.02 0.00 0.00 35.03 33.83 1iwa n LYS 305 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1iwa n ASN 306 N -2.02 0.59 -3.73 3.14 6.94 -1.26 -4.96 115.26 113.96 1iwa n ASN 306 Ca 0.03 0.25 -0.14 0.00 -0.02 0.00 0.00 54.58 54.70 1iwa n ASN 306 Cb 0.42 0.68 -0.08 0.00 -2.36 0.00 0.00 39.78 38.44 1iwa n ASN 306 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1iwa s HIS 307 N -3.08 -0.26 0.00 -2.53 5.04 -1.26 -3.64 115.29 109.56 1iwa s HIS 307 Ca -0.04 0.42 0.00 0.00 -1.54 0.00 0.00 55.06 53.90 1iwa s HIS 307 Cb 0.10 0.14 0.00 0.00 0.04 0.00 0.00 32.58 32.85 1iwa s HIS 307 CO 0.83 -0.40 0.00 0.41 -2.34 0.00 0.00 174.74 173.23 1iwa n GLY 308 N 1.34 0.18 2.87 1.59 0.00 -0.52 -4.55 105.19 106.10 1iwa n GLY 308 Ca -0.21 -1.83 -0.15 0.00 0.00 0.00 0.00 46.02 43.84 1iwa n GLY 308 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iwa s MET 309 N 0.00 0.19 0.09 1.61 -1.94 -0.33 -1.16 119.30 117.76 1iwa s MET 309 Ca 0.00 -0.01 -0.30 0.00 -1.71 0.00 0.00 55.69 53.67 1iwa s MET 309 Cb 0.00 -0.27 -0.05 0.00 2.01 0.00 0.00 34.83 36.52 1iwa s MET 309 CO 0.00 -0.03 0.98 1.21 -0.01 0.00 0.00 175.02 177.17 1iwa s ASN 310 N 0.37 7.45 0.63 3.03 3.84 0.31 -3.79 114.94 126.78 1iwa s ASN 310 Ca -0.03 1.78 0.24 0.00 0.21 0.00 0.00 52.86 55.06 1iwa s ASN 310 Cb -0.06 -2.58 1.21 0.00 -0.55 0.00 0.00 41.25 39.27 1iwa s ASN 310 CO -0.01 -0.13 1.67 0.15 -2.79 0.00 0.00 177.10 175.99 1iwa h PHE 311 N 5.86 0.00 0.00 0.43 3.57 -1.90 0.29 116.94 125.19 1iwa h PHE 311 Ca -0.42 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.02 1iwa h PHE 311 Cb 1.21 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1iwa h PHE 311 CO 0.65 0.00 -0.28 0.07 -2.23 0.00 0.00 178.31 176.52 1iwa h ARG 312 N 0.00 0.00 -0.34 1.11 0.11 -1.91 -0.63 114.38 112.72 1iwa h ARG 312 Ca 0.16 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.11 1iwa h ARG 312 Cb 1.44 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.51 1iwa h ARG 312 CO -0.00 0.28 -0.30 0.28 0.10 0.00 0.00 179.97 180.34 1iwa h VAL 313 N 0.00 1.29 -0.47 0.08 2.07 -1.19 -1.90 116.25 116.13 1iwa h VAL 313 Ca -0.00 -1.46 -0.05 0.00 0.82 0.00 0.00 66.70 66.01 1iwa h VAL 313 Cb 0.61 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1iwa h VAL 313 CO 0.04 0.48 0.10 0.40 0.02 0.00 0.00 177.57 178.60 1iwa h ILE 314 N 0.59 1.21 -0.80 4.57 5.03 -1.48 -1.08 117.51 125.54 1iwa h ILE 314 Ca 0.06 -0.76 -0.01 0.00 -0.12 0.00 0.00 64.86 64.03 1iwa h ILE 314 Cb 0.87 0.75 -0.04 0.00 -3.03 0.00 0.00 36.82 35.37 1iwa h ILE 314 CO 0.08 0.28 0.48 0.00 -0.68 0.00 0.00 178.15 178.30 1iwa h LYS 316 N 1.10 -0.21 -0.36 0.00 1.57 -0.64 -1.41 116.57 116.62 1iwa h LYS 316 Ca 0.29 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.14 1iwa h LYS 316 Cb -0.04 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 1iwa h LYS 316 CO -0.05 0.11 0.07 -1.49 -0.57 0.00 0.00 179.45 177.52 1iwa h TRP 317 N -0.55 0.12 -0.08 -1.35 6.55 -1.02 -0.70 115.95 118.92 1iwa h TRP 317 Ca -0.02 0.02 -0.07 0.00 0.95 0.00 0.00 58.89 59.77 1iwa h TRP 317 Cb 0.42 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.71 1iwa h TRP 317 CO 0.03 0.02 -0.29 0.52 -1.05 0.00 0.00 178.44 177.67 1iwa h MET 318 N 0.19 0.14 -0.03 0.49 2.86 -0.55 0.24 114.93 118.28 1iwa h MET 318 Ca 0.17 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.62 1iwa h MET 318 Cb 0.19 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1iwa h MET 318 CO -0.22 0.43 -0.63 -0.09 1.06 0.00 0.00 176.91 177.46 1iwa h ARG 319 N 0.13 0.13 -0.12 1.72 2.43 -0.71 -2.49 114.38 115.47 1iwa h ARG 319 Ca 0.02 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 1iwa h ARG 319 Cb 0.59 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1iwa h ARG 319 CO 0.04 0.72 -0.20 0.52 -1.51 0.00 0.00 179.97 179.54 1iwa h MET 320 N 0.10 0.35 -0.95 0.20 2.86 -0.41 -2.98 114.93 114.09 1iwa h MET 320 Ca -0.01 -0.22 0.16 0.00 -2.06 0.00 0.00 59.70 57.57 1iwa h MET 320 Cb 1.13 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.73 1iwa h MET 320 CO 0.09 0.80 0.60 0.00 1.06 0.00 0.00 176.91 179.46 1iwa h ALA 321 N 0.54 1.78 0.00 6.32 0.00 -0.42 -2.14 119.26 125.35 1iwa h ALA 321 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1iwa h ALA 321 Cb 0.78 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1iwa h ALA 321 CO 0.05 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1iwa n GLY 322 N -1.40 1.84 3.78 0.00 0.00 -0.96 -4.47 105.19 103.98 1iwa n GLY 322 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1iwa n GLY 322 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iwa s VAL 323 N -2.00 4.24 -0.05 1.61 0.11 -1.09 -0.54 120.40 122.67 1iwa s VAL 323 Ca 0.00 1.78 0.04 0.00 -2.93 0.00 0.00 61.98 60.87 1iwa s VAL 323 Cb 0.00 -3.98 -0.25 0.00 -1.53 0.00 0.00 36.38 30.62 1iwa s VAL 323 CO 0.00 0.12 0.62 0.44 -3.33 0.00 0.00 175.10 172.96 1iwa h ASP 324 N 3.13 0.19 -3.62 3.54 3.32 -0.91 -3.39 116.42 118.68 1iwa h ASP 324 Ca -0.47 -0.39 -0.39 0.00 0.02 0.00 0.00 57.03 55.81 1iwa h ASP 324 Cb 1.19 -0.06 -0.14 0.00 0.22 0.00 0.00 39.33 40.53 1iwa h ASP 324 CO 0.65 1.34 -0.71 -1.00 -1.72 0.00 0.00 179.24 177.80 1iwa s HIS 325 N -2.59 1.49 -0.29 4.55 3.76 -0.89 -0.21 115.29 121.11 1iwa s HIS 325 Ca -0.11 -0.71 -0.15 0.00 -0.15 0.00 0.00 55.06 53.94 1iwa s HIS 325 Cb 0.07 -0.75 0.15 0.00 1.11 0.00 0.00 32.58 33.16 1iwa s HIS 325 CO 0.81 0.18 0.95 -1.50 -0.85 0.00 0.00 174.74 174.33 1iwa s ILE 326 N -3.19 -0.23 -0.18 0.60 2.07 -0.77 -1.54 121.20 117.97 1iwa s ILE 326 Ca 0.21 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.16 1iwa s ILE 326 Cb 0.02 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.55 1iwa s ILE 326 CO 0.04 0.00 2.15 -1.00 -1.91 0.00 0.00 174.94 174.23 1iwa s HIS 327 N 1.83 1.21 -1.68 3.50 3.76 -1.20 -1.39 115.29 121.31 1iwa s HIS 327 Ca -0.07 0.36 0.15 0.00 -0.15 0.00 0.00 55.06 55.36 1iwa s HIS 327 Cb -0.05 -3.99 0.22 0.00 1.11 0.00 0.00 32.58 29.87 1iwa s HIS 327 CO -0.16 -4.30 1.10 0.00 -0.85 0.00 0.00 174.74 170.53 1iwa n ALA 328 N 10.88 2.40 0.00 -1.40 0.00 -0.44 -4.74 120.51 127.20 1iwa n ALA 328 Ca 0.28 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1iwa n ALA 328 Cb 0.44 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1iwa n ALA 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iwa n GLY 329 N 0.86 1.06 3.10 0.00 0.00 -1.14 -4.89 105.19 104.18 1iwa n GLY 329 Ca 0.11 -1.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 1iwa n GLY 329 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iwa n THR 330 N 1.03 0.00 -0.00 2.61 -2.24 -1.26 -4.45 114.28 109.97 1iwa n THR 330 Ca 0.00 -1.84 0.00 0.00 -2.27 0.00 0.00 64.05 59.94 1iwa n THR 330 Cb 0.00 0.01 -0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1iwa n THR 330 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1iwa n VAL 331 N -1.44 0.01 -0.56 2.28 0.31 -1.26 -4.62 118.33 113.05 1iwa n VAL 331 Ca -0.06 -0.01 0.07 0.00 -0.01 0.00 0.00 64.34 64.33 1iwa n VAL 331 Cb 0.52 -0.26 0.19 0.00 -0.91 0.00 0.00 33.84 33.38 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 -1.76 1.59 -1.07 2.52 0.24 -1.26 -4.85 118.33 113.74 1iwa n VAL 332 Ca -0.00 -1.43 0.00 0.00 -2.04 0.00 0.00 64.34 60.87 1iwa n VAL 332 Cb 0.26 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 1iwa n VAL 332 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iwa n GLY 333 N -0.07 -0.15 0.14 7.63 0.00 -1.26 -4.53 105.19 106.96 1iwa n GLY 333 Ca 0.15 -1.77 0.04 0.00 0.00 0.00 0.00 46.02 44.44 1iwa n GLY 333 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1iwa h LYS 334 N 0.00 0.00 -6.86 1.61 2.10 -1.41 -3.43 116.57 108.58 1iwa h LYS 334 Ca 0.00 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.16 1iwa h LYS 334 Cb 0.00 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.35 1iwa h LYS 334 CO 0.00 0.33 0.07 -0.51 -2.00 0.00 0.00 179.45 177.34 1iwa s LEU 335 N -6.18 3.72 0.34 7.07 2.01 -1.26 -5.04 118.68 119.34 1iwa s LEU 335 Ca 0.03 0.91 -0.28 0.00 0.01 0.00 0.00 54.13 54.80 1iwa s LEU 335 Cb 0.08 -3.84 -0.12 0.00 0.01 0.00 0.00 46.19 42.31 1iwa s LEU 335 CO 0.75 -0.50 1.26 1.21 1.01 0.00 0.00 176.35 180.09 1iwa n GLU 336 N -1.96 2.06 0.00 1.70 4.07 -1.26 -4.88 120.64 120.37 1iwa n GLU 336 Ca 0.00 0.72 0.00 0.00 -0.06 0.00 0.00 57.16 57.82 1iwa n GLU 336 Cb 0.55 -2.29 0.00 0.00 -0.06 0.00 0.00 31.44 29.64 1iwa n GLU 336 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1iwa n GLY 337 N 0.81 -1.59 3.75 8.31 0.00 -1.26 -4.82 105.19 110.38 1iwa n GLY 337 Ca 0.05 0.94 -0.41 0.00 0.00 0.00 0.00 46.02 46.60 1iwa n GLY 337 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iwa s ASP 338 N 0.00 6.58 0.23 1.61 2.15 -1.26 -4.61 116.67 121.37 1iwa s ASP 338 Ca 0.00 2.74 -0.06 0.00 0.43 0.00 0.00 52.55 55.66 1iwa s ASP 338 Cb 0.00 -2.63 0.37 0.00 -0.30 0.00 0.00 42.92 40.37 1iwa s ASP 338 CO 0.00 -0.76 1.78 1.55 -0.17 0.00 0.00 175.17 177.58 1iwa h PRO 339 N 5.04 0.63 -0.04 4.34 0.13 -1.93 0.22 132.00 140.39 1iwa h PRO 339 Ca -0.46 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.48 1iwa h PRO 339 Cb 1.22 -0.14 0.01 0.00 0.13 0.00 0.00 31.00 32.21 1iwa h PRO 339 CO 0.79 0.42 -0.55 0.82 -0.23 0.00 0.00 178.00 179.24 1iwa h ILE 340 N 0.65 1.40 -0.83 -3.56 2.04 -1.93 -1.87 117.51 113.42 1iwa h ILE 340 Ca 0.37 -1.96 -0.03 0.00 1.00 0.00 0.00 64.86 64.24 1iwa h ILE 340 Cb 0.39 2.42 -0.04 0.00 -0.74 0.00 0.00 36.82 38.86 1iwa h ILE 340 CO -0.27 0.58 0.40 0.40 0.00 0.00 0.00 178.15 179.25 1iwa h ILE 341 N -0.01 1.26 -0.58 -0.67 1.08 -1.78 -2.27 117.51 114.53 1iwa h ILE 341 Ca -0.06 -0.72 -0.04 0.00 -0.39 0.00 0.00 64.86 63.66 1iwa h ILE 341 Cb 1.23 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 35.16 1iwa h ILE 341 CO 0.11 0.31 0.21 0.74 -0.69 0.00 0.00 178.15 178.83 1iwa h THR 342 N 1.17 1.21 -0.57 -0.27 2.02 -0.54 0.03 112.91 115.97 1iwa h THR 342 Ca 0.28 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.79 1iwa h THR 342 Cb 0.12 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1iwa h THR 342 CO -0.04 0.27 0.38 -0.09 0.37 0.00 0.00 175.52 176.41 1iwa h ARG 343 N 0.83 0.71 -0.06 6.66 2.43 -0.77 -1.64 114.38 122.54 1iwa h ARG 343 Ca 0.20 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1iwa h ARG 343 Cb 0.19 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1iwa h ARG 343 CO -0.02 0.47 -0.05 0.78 -1.51 0.00 0.00 179.97 179.65 1iwa h GLY 344 N 0.73 0.01 0.69 2.80 0.00 -0.63 -1.32 103.07 105.36 1iwa h GLY 344 Ca 0.22 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.65 1iwa h GLY 344 CO -0.05 -0.06 0.19 0.74 0.00 0.00 0.00 176.54 177.36 1iwa h PHE 345 N -0.05 0.35 -0.69 5.60 0.05 -0.97 -1.38 116.94 119.84 1iwa h PHE 345 Ca 0.04 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.82 1iwa h PHE 345 Cb 0.12 -0.09 -0.03 0.00 2.00 0.00 0.00 35.95 37.94 1iwa h PHE 345 CO -0.15 0.16 0.31 1.88 -0.18 0.00 0.00 178.31 180.33 1iwa h TYR 346 N 0.39 1.02 -0.57 -0.55 -1.99 -1.11 -2.60 116.97 111.55 1iwa h TYR 346 Ca 0.20 -0.06 -0.04 0.00 2.00 0.00 0.00 58.73 60.82 1iwa h TYR 346 Cb 0.15 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.54 1iwa h TYR 346 CO -0.12 0.77 0.18 0.87 -0.00 0.00 0.00 178.16 179.86 1iwa h LYS 347 N 0.97 0.89 -0.61 4.88 1.57 -0.92 -1.71 116.57 121.64 1iwa h LYS 347 Ca 0.23 -0.19 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1iwa h LYS 347 Cb 0.16 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1iwa h LYS 347 CO -0.03 0.80 0.40 1.15 -0.57 0.00 0.00 179.45 181.21 1iwa h THR 348 N 0.80 1.06 0.00 -0.16 2.02 -1.03 -0.84 112.91 114.77 1iwa h THR 348 Ca 0.19 -0.23 -0.17 0.00 0.77 0.00 0.00 66.41 66.97 1iwa h THR 348 Cb 0.28 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1iwa h THR 348 CO -0.01 0.12 -1.05 -0.07 0.37 0.00 0.00 175.52 174.88 1iwa h LEU 349 N 0.68 0.00 0.00 2.58 3.38 -1.19 -3.42 115.31 117.34 1iwa h LEU 349 Ca 0.25 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.93 1iwa h LEU 349 Cb 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1iwa h LEU 349 CO -0.07 0.66 -2.09 0.18 0.09 0.00 0.00 178.44 177.21 1iwa n LEU 350 N -3.10 2.86 -4.77 1.67 7.99 -0.67 -1.40 117.00 119.58 1iwa n LEU 350 Ca -0.05 -0.07 -0.38 0.00 -0.01 0.00 0.00 56.01 55.50 1iwa n LEU 350 Cb 0.84 -0.66 -0.01 0.00 -0.11 0.00 0.00 43.42 43.48 1iwa n LEU 350 CO 0.43 0.79 0.84 -0.76 -1.51 0.00 0.00 177.39 177.18 1iwa s LEU 351 N -6.19 4.11 0.12 2.23 1.02 -0.35 -4.84 118.68 114.78 1iwa s LEU 351 Ca -0.26 2.34 0.26 0.00 0.02 0.00 0.00 54.13 56.49 1iwa s LEU 351 Cb 0.07 -4.12 0.97 0.00 0.02 0.00 0.00 46.19 43.13 1iwa s LEU 351 CO 0.43 -0.79 1.79 -0.81 0.02 0.00 0.00 176.35 176.99 1iwa n PRO 352 N -0.18 0.13 -3.72 1.29 -0.04 -1.26 -4.75 135.00 126.47 1iwa n PRO 352 Ca 0.06 0.17 -0.13 0.00 -0.04 0.00 0.00 63.50 63.55 1iwa n PRO 352 Cb 0.47 -1.67 -0.10 0.00 -0.04 0.00 0.00 33.50 32.16 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 -3.08 0.52 -0.02 0.54 2.20 -1.26 -1.75 119.74 116.89 1iwa s LYS 353 Ca 0.11 0.63 0.01 0.00 -0.36 0.00 0.00 55.97 56.37 1iwa s LYS 353 Cb 0.14 0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.67 1iwa s LYS 353 CO 0.51 -0.07 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.90 1iwa s LEU 354 N 0.29 3.40 -0.05 5.43 1.02 0.92 -4.96 118.68 124.73 1iwa s LEU 354 Ca -0.00 -0.03 0.06 0.00 0.02 0.00 0.00 54.13 54.18 1iwa s LEU 354 Cb -0.03 -1.90 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 1iwa s LEU 354 CO 0.00 0.30 -0.21 -1.61 0.02 0.00 0.00 176.35 174.85 1iwa s GLU 355 N -1.36 2.43 0.18 1.70 2.02 -1.26 -0.97 118.70 121.44 1iwa s GLU 355 Ca 0.17 -0.83 -0.33 0.00 0.02 0.00 0.00 54.97 54.00 1iwa s GLU 355 Cb -0.11 -2.22 -0.14 0.00 0.10 0.00 0.00 34.13 31.76 1iwa s GLU 355 CO 0.08 0.52 1.53 -2.13 0.02 0.00 0.00 175.26 175.27 1iwa n ARG 356 N 2.59 2.09 -3.32 1.61 0.63 -1.25 -4.86 116.66 114.15 1iwa n ARG 356 Ca -0.17 0.75 -0.12 0.00 -0.92 0.00 0.00 57.85 57.40 1iwa n ARG 356 Cb 0.52 -2.49 -0.06 0.00 0.45 0.00 0.00 32.46 30.87 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 0.75 0.59 0.52 6.15 3.84 0.19 -5.01 114.94 121.97 1iwa s ASN 357 Ca 0.76 -0.89 0.29 0.00 0.21 0.00 0.00 52.86 53.24 1iwa s ASN 357 Cb -0.68 0.95 1.42 0.00 -0.55 0.00 0.00 41.25 42.39 1iwa s ASN 357 CO 0.41 -0.31 1.91 -0.07 -2.79 0.00 0.00 177.10 176.26 1iwa h LEU 358 N 7.66 0.04 -0.19 3.21 -0.00 -1.94 -0.84 115.31 123.26 1iwa h LEU 358 Ca -0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.78 1iwa h LEU 358 Cb 1.10 -0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.75 1iwa h LEU 358 CO 0.23 0.02 -0.18 1.56 -0.00 0.00 0.00 178.44 180.07 1iwa h GLN 359 N 0.04 0.46 0.00 1.13 4.20 -1.92 -3.08 115.11 115.94 1iwa h GLN 359 Ca 0.39 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1iwa h GLN 359 Cb 1.48 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.27 1iwa h GLN 359 CO -0.02 0.80 0.00 0.39 -0.67 0.00 0.00 178.83 179.33 1iwa n GLU 360 N -4.48 0.19 -0.50 1.46 1.02 -0.48 -4.59 120.64 113.27 1iwa n GLU 360 Ca -0.05 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1iwa n GLU 360 Cb 0.39 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1iwa n GLU 360 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iwa n GLY 361 N 0.80 0.75 3.49 0.62 0.00 -0.44 -4.60 105.19 105.81 1iwa n GLY 361 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1iwa n GLY 361 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwa s LEU 362 N 0.00 4.28 0.00 0.99 1.02 -0.91 -4.77 118.68 119.28 1iwa s LEU 362 Ca 0.00 -0.62 0.26 0.00 0.02 0.00 0.00 54.13 53.79 1iwa s LEU 362 Cb 0.00 -2.65 0.76 0.00 0.02 0.00 0.00 46.19 44.32 1iwa s LEU 362 CO 0.00 -1.27 1.59 0.49 0.02 0.00 0.00 176.35 177.18 1iwa n PHE 363 N 7.42 0.00 -4.35 0.29 3.01 -1.26 0.54 117.46 123.11 1iwa n PHE 363 Ca -0.01 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.24 1iwa n PHE 363 Cb 0.47 -0.28 -0.13 0.00 -0.01 0.00 0.00 39.48 39.53 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 -2.88 1.43 0.17 1.38 0.08 -1.26 -4.88 117.98 112.02 1iwa s PHE 364 Ca 0.15 -0.39 -0.28 0.00 0.12 0.00 0.00 56.93 56.53 1iwa s PHE 364 Cb 0.18 -0.82 -0.08 0.00 -0.57 0.00 0.00 43.02 41.73 1iwa s PHE 364 CO 0.62 0.08 0.87 -0.51 -0.10 0.00 0.00 175.22 176.18 1iwa s ASP 365 N -1.42 7.49 -0.17 1.36 -0.00 -1.26 -3.79 116.67 118.88 1iwa s ASP 365 Ca 0.03 1.77 -0.06 0.00 -0.00 0.00 0.00 52.55 54.28 1iwa s ASP 365 Cb -0.09 -2.55 0.08 0.00 -0.00 0.00 0.00 42.92 40.36 1iwa s ASP 365 CO 0.02 0.12 0.36 -0.32 -0.00 0.00 0.00 175.17 175.36 1iwa s MET 366 N -0.85 0.26 0.51 8.23 1.75 -0.14 -4.96 119.30 124.08 1iwa s MET 366 Ca 0.40 0.93 -0.19 0.00 -1.25 0.00 0.00 55.69 55.57 1iwa s MET 366 Cb -0.24 0.20 -0.08 0.00 2.84 0.00 0.00 34.83 37.55 1iwa s MET 366 CO 0.29 -0.27 1.05 -1.21 -0.65 0.00 0.00 175.02 174.23 1iwa s GLU 367 N 2.54 3.70 -0.06 4.11 0.41 -1.26 -0.05 118.70 128.09 1iwa s GLU 367 Ca -0.01 1.35 0.16 0.00 -0.41 0.00 0.00 54.97 56.06 1iwa s GLU 367 Cb -0.12 -2.08 0.52 0.00 -1.78 0.00 0.00 34.13 30.67 1iwa s GLU 367 CO -0.11 -0.51 1.44 0.91 -0.49 0.00 0.00 175.26 176.50 1iwa n TRP 368 N -1.15 0.93 -2.34 1.61 7.02 -0.72 -4.84 117.44 117.95 1iwa n TRP 368 Ca 0.09 -0.59 -0.08 0.00 -1.02 0.00 0.00 57.50 55.91 1iwa n TRP 368 Cb 0.52 -0.13 -0.01 0.00 -2.42 0.00 0.00 31.31 29.28 1iwa n TRP 368 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1iwa n ALA 369 N 0.75 -0.79 -1.05 6.99 0.00 -1.26 -1.02 120.51 124.13 1iwa n ALA 369 Ca 0.20 0.07 -0.02 0.00 0.00 0.00 0.00 53.44 53.69 1iwa n ALA 369 Cb 0.67 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 1iwa n ALA 369 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1iwa n SER 370 N -1.50 -4.39 -4.76 0.00 7.64 -1.26 -4.93 113.62 104.41 1iwa n SER 370 Ca -0.09 0.04 -0.38 0.00 1.01 0.00 0.00 58.87 59.45 1iwa n SER 370 Cb 0.54 -2.03 0.01 0.00 -1.01 0.00 0.00 64.21 61.72 1iwa n SER 370 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1iwa s LEU 371 N -0.36 4.00 1.00 -3.43 1.43 -0.19 -4.95 118.68 116.18 1iwa s LEU 371 Ca 0.00 2.59 -0.11 0.00 -1.03 0.00 0.00 54.13 55.58 1iwa s LEU 371 Cb 0.00 -4.17 0.19 0.00 0.03 0.00 0.00 46.19 42.24 1iwa s LEU 371 CO 0.00 -1.17 1.07 0.54 0.23 0.00 0.00 176.35 177.02 1iwa n ARG 372 N -0.55 -1.11 -3.21 1.70 1.74 -1.26 -4.96 116.66 109.01 1iwa n ARG 372 Ca 0.08 -0.27 -0.37 0.00 -0.77 0.00 0.00 57.85 56.52 1iwa n ARG 372 Cb 0.46 -2.29 -0.06 0.00 -1.02 0.00 0.00 32.46 29.55 1iwa n ARG 372 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1iwa s LYS 373 N -4.51 4.20 -0.06 5.56 1.02 -1.26 -4.29 119.74 120.40 1iwa s LYS 373 Ca 0.67 0.76 -0.15 0.00 0.02 0.00 0.00 55.97 57.27 1iwa s LYS 373 Cb -0.24 -3.05 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 1iwa s LYS 373 CO 0.61 0.52 0.39 0.08 -0.92 0.00 0.00 175.35 176.02 1iwa s VAL 374 N -1.33 5.13 -0.29 3.17 1.01 -0.50 -1.54 120.40 126.05 1iwa s VAL 374 Ca 0.36 0.79 -0.24 0.00 0.00 0.00 0.00 61.98 62.89 1iwa s VAL 374 Cb -0.18 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1iwa s VAL 374 CO 0.20 0.49 0.82 -0.32 0.00 0.00 0.00 175.10 176.30 1iwa s MET 375 N -0.43 4.02 0.44 2.72 1.75 0.71 -4.40 119.30 124.11 1iwa s MET 375 Ca 0.23 0.71 -0.23 0.00 -1.25 0.00 0.00 55.69 55.15 1iwa s MET 375 Cb -0.15 -3.71 -0.08 0.00 2.84 0.00 0.00 34.83 33.73 1iwa s MET 375 CO 0.11 -0.66 1.13 -2.14 -0.65 0.00 0.00 175.02 172.80 1iwa s PRO 376 N 2.99 3.88 -0.05 4.11 0.02 -1.26 -1.84 135.00 142.84 1iwa s PRO 376 Ca 0.34 1.68 0.05 0.00 0.02 0.00 0.00 61.00 63.09 1iwa s PRO 376 Cb -0.14 -2.43 -0.01 0.00 0.02 0.00 0.00 34.50 31.94 1iwa s PRO 376 CO 0.12 -0.43 -0.20 0.08 -0.33 0.00 0.00 177.00 176.23 1iwa s VAL 377 N -1.60 1.70 -0.25 3.83 1.01 -0.49 -0.65 120.40 123.96 1iwa s VAL 377 Ca 0.62 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1iwa s VAL 377 Cb -0.26 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.68 1iwa s VAL 377 CO 0.32 0.48 -0.05 0.00 0.00 0.00 0.00 175.10 175.85 1iwa s ALA 378 N -0.01 2.74 -0.11 5.51 0.00 -0.15 -1.33 121.76 128.42 1iwa s ALA 378 Ca -0.05 -1.41 -0.10 0.00 0.00 0.00 0.00 51.96 50.40 1iwa s ALA 378 Cb -0.13 -1.73 0.03 0.00 0.00 0.00 0.00 23.12 21.29 1iwa s ALA 378 CO 0.03 -0.76 0.29 0.45 0.00 0.00 0.00 175.76 175.77 1iwa s SER 379 N 1.36 -0.30 0.00 0.00 0.15 -1.26 -0.98 113.70 112.67 1iwa s SER 379 Ca 0.01 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1iwa s SER 379 Cb -0.16 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1iwa s SER 379 CO -0.04 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1iwa n GLY 380 N 2.91 2.02 3.10 9.45 0.00 -1.26 -4.77 105.19 116.64 1iwa n GLY 380 Ca -0.13 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 0.49 2.16 3.89 -0.02 0.00 -1.26 -1.21 105.19 109.24 1iwa n GLY 381 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.20 4.57 0.14 -0.61 -4.36 -1.26 -4.60 121.20 111.87 1iwa s ILE 382 Ca 0.00 0.46 -0.21 0.00 -0.26 0.00 0.00 60.65 60.64 1iwa s ILE 382 Cb 0.00 -3.79 0.06 0.00 1.25 0.00 0.00 42.46 39.98 1iwa s ILE 382 CO 0.00 -0.90 0.53 -1.38 0.24 0.00 0.00 174.94 173.43 1iwa s HIS 383 N -2.99 -0.42 0.42 1.37 -3.43 -1.26 -4.53 115.29 104.45 1iwa s HIS 383 Ca 0.52 0.20 -0.25 0.00 -0.80 0.00 0.00 55.06 54.73 1iwa s HIS 383 Cb -0.11 0.45 -0.10 0.00 -1.43 0.00 0.00 32.58 31.39 1iwa s HIS 383 CO 0.49 -0.79 1.16 0.00 -2.00 0.00 0.00 174.74 173.61 1iwa n ALA 384 N -0.27 0.82 0.00 -1.38 0.00 -1.26 -2.06 120.51 116.36 1iwa n ALA 384 Ca -0.17 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1iwa n ALA 384 Cb 0.64 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 0.97 2.59 0.36 0.00 0.00 -1.26 -4.78 105.19 103.07 1iwa n GLY 385 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 1iwa n GLY 385 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1iwa n GLN 386 N -0.68 1.71 -0.33 1.61 6.02 -0.88 -4.66 117.38 120.17 1iwa n GLN 386 Ca 0.00 -0.80 0.24 0.00 -0.01 0.00 0.00 57.00 56.42 1iwa n GLN 386 Cb 0.00 -1.25 0.45 0.00 1.02 0.00 0.00 30.24 30.46 1iwa n GLN 386 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 1iwa h MET 387 N 1.75 0.04 -0.67 -1.09 4.05 -1.87 0.41 114.93 117.56 1iwa h MET 387 Ca 0.00 -0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 1iwa h MET 387 Cb 0.52 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.29 1iwa h MET 387 CO 0.00 0.03 0.18 1.12 0.23 0.00 0.00 176.91 178.47 1iwa h HIS 388 N 0.04 1.10 -0.10 1.39 2.07 -1.89 0.87 115.15 118.64 1iwa h HIS 388 Ca 0.73 -0.12 -0.03 0.00 -2.85 0.00 0.00 60.37 58.10 1iwa h HIS 388 Cb 1.76 -0.31 -0.00 0.00 2.57 0.00 0.00 27.41 31.43 1iwa h HIS 388 CO -0.20 0.90 -0.06 1.96 -3.07 0.00 0.00 177.93 177.46 1iwa h GLN 389 N 0.98 0.21 -0.15 5.12 4.20 -0.64 -1.08 115.11 123.76 1iwa h GLN 389 Ca 0.21 -0.10 0.05 0.00 0.06 0.00 0.00 58.65 58.87 1iwa h GLN 389 Cb 0.34 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.06 1iwa h GLN 389 CO -0.00 0.59 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.45 1iwa h LEU 390 N -0.16 -0.72 -0.20 1.46 3.38 -0.72 0.25 115.31 118.59 1iwa h LEU 390 Ca 0.02 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1iwa h LEU 390 Cb 0.53 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1iwa h LEU 390 CO 0.02 -0.28 0.13 0.40 0.09 0.00 0.00 178.44 178.79 1iwa h ILE 391 N -0.28 1.07 -0.43 1.22 1.08 -0.83 0.13 117.51 119.46 1iwa h ILE 391 Ca 0.11 -0.16 0.07 0.00 -0.39 0.00 0.00 64.86 64.48 1iwa h ILE 391 Cb 0.44 0.82 -0.06 0.00 -3.07 0.00 0.00 36.82 34.95 1iwa h ILE 391 CO -0.31 0.07 0.11 -0.74 -0.69 0.00 0.00 178.15 176.58 1iwa h HIS 392 N 0.26 0.18 0.00 1.37 2.76 -0.40 0.39 115.15 119.71 1iwa h HIS 392 Ca 0.07 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.24 1iwa h HIS 392 Cb 0.00 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 1iwa h HIS 392 CO -0.05 0.03 -0.23 1.88 -1.30 0.00 0.00 177.93 178.26 1iwa h TYR 393 N 0.25 0.00 -0.01 5.26 0.05 -0.45 -3.40 116.97 118.67 1iwa h TYR 393 Ca 0.21 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.80 1iwa h TYR 393 Cb 0.25 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1iwa h TYR 393 CO -0.19 0.57 -0.82 -0.07 -1.05 0.00 0.00 178.16 176.59 1iwa h LEU 394 N -1.00 0.23 0.00 3.88 3.38 -0.82 -3.47 115.31 117.51 1iwa h LEU 394 Ca -0.05 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1iwa h LEU 394 Cb 0.61 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1iwa h LEU 394 CO -0.03 0.95 0.00 0.61 0.09 0.00 0.00 178.44 180.06 1iwa n GLY 395 N 0.76 -1.82 0.08 0.83 0.00 0.13 -4.67 105.19 100.50 1iwa n GLY 395 Ca -0.03 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.04 -6.22 1.61 4.81 -1.94 -3.43 114.58 109.37 1iwa h GLU 396 Ca 0.00 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.67 1iwa h GLU 396 Cb 0.00 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.30 1iwa h GLU 396 CO 0.00 0.61 1.26 -0.51 -0.73 0.00 0.00 179.01 179.65 1iwa s ASP 397 N -5.90 6.28 -0.19 1.04 1.01 -1.26 -3.01 116.67 114.63 1iwa s ASP 397 Ca -0.14 -0.90 -0.32 0.00 0.71 0.00 0.00 52.55 51.90 1iwa s ASP 397 Cb -0.01 -2.56 0.15 0.00 1.01 0.00 0.00 42.92 41.50 1iwa s ASP 397 CO 0.52 -1.72 1.18 0.54 0.21 0.00 0.00 175.17 175.90 1iwa s VAL 398 N 5.56 0.00 -0.28 -1.27 0.11 -1.26 -4.35 120.40 118.91 1iwa s VAL 398 Ca 0.42 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.39 1iwa s VAL 398 Cb -0.04 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.80 1iwa s VAL 398 CO 0.03 0.00 0.08 -0.69 -3.33 0.00 0.00 175.10 171.19 1iwa s VAL 399 N -1.82 4.16 -0.34 2.04 1.01 0.17 -1.43 120.40 124.20 1iwa s VAL 399 Ca 0.06 -0.44 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 1iwa s VAL 399 Cb -0.01 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1iwa s VAL 399 CO -0.04 0.20 0.76 -0.76 0.00 0.00 0.00 175.10 175.25 1iwa s LEU 400 N 1.56 4.12 -0.27 3.92 1.02 0.65 -0.97 118.68 128.72 1iwa s LEU 400 Ca 0.05 0.45 -0.06 0.00 0.02 0.00 0.00 54.13 54.59 1iwa s LEU 400 Cb -0.16 -3.01 -0.01 0.00 0.02 0.00 0.00 46.19 43.04 1iwa s LEU 400 CO 0.03 -0.66 0.05 -1.10 0.02 0.00 0.00 176.35 174.69 1iwa s GLN 401 N 2.98 3.32 -0.34 1.70 -0.21 -0.15 -0.82 119.66 126.14 1iwa s GLN 401 Ca 0.31 -0.70 -0.03 0.00 0.02 0.00 0.00 55.36 54.96 1iwa s GLN 401 Cb -0.14 -3.28 0.07 0.00 1.00 0.00 0.00 33.01 30.66 1iwa s GLN 401 CO 0.15 -0.32 0.08 -0.06 -2.12 0.00 0.00 175.29 173.02 1iwa s PHE 402 N 1.53 3.36 0.00 0.91 0.40 -0.36 -4.12 117.98 119.71 1iwa s PHE 402 Ca 0.04 -1.98 0.00 0.00 -0.60 0.00 0.00 56.93 54.40 1iwa s PHE 402 Cb -0.16 -2.47 0.00 0.00 0.51 0.00 0.00 43.02 40.90 1iwa s PHE 402 CO 0.02 -0.84 0.00 0.41 0.70 0.00 0.00 175.22 175.50 1iwa n GLY 403 N 4.64 1.42 0.27 4.36 0.00 -1.26 -3.95 105.19 110.66 1iwa n GLY 403 Ca -0.10 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.08 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 1.13 -0.02 0.00 -1.93 -1.95 103.07 100.29 1iwa h GLY 404 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iwa h GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1iwa n GLY 405 N -0.33 -0.36 1.11 4.60 0.00 -1.26 -0.95 105.19 107.99 1iwa n GLY 405 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1iwa n GLY 405 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iwa n THR 406 N -1.06 0.68 0.26 2.61 -1.04 -0.76 -4.79 114.28 110.17 1iwa n THR 406 Ca 0.07 0.22 0.10 0.00 -2.04 0.00 0.00 64.05 62.40 1iwa n THR 406 Cb 0.04 -1.27 0.71 0.00 -1.82 0.00 0.00 70.33 67.99 1iwa n THR 406 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1iwa h ILE 407 N 0.00 0.87 0.00 12.58 2.04 -1.56 -2.35 117.51 129.09 1iwa h ILE 407 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1iwa h ILE 407 Cb 0.00 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1iwa h ILE 407 CO 0.00 0.00 -0.07 1.23 0.00 0.00 0.00 178.15 179.31 1iwa h GLY 408 N 0.00 0.00 -4.86 5.37 0.00 -1.28 -3.45 103.07 98.85 1iwa h GLY 408 Ca 0.01 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.71 1iwa h GLY 408 CO -0.00 0.00 0.27 1.57 0.00 0.00 0.00 176.54 178.38 1iwa n HIS 409 N -3.29 1.38 0.32 5.60 -0.00 -0.88 -4.87 115.22 113.47 1iwa n HIS 409 Ca -0.01 0.66 0.16 0.00 -0.00 0.00 0.00 57.72 58.53 1iwa n HIS 409 Cb 0.27 -2.29 0.67 0.00 -0.00 0.00 0.00 29.99 28.64 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 3.15 0.00 -0.61 1.57 0.13 -1.91 -3.17 132.00 131.15 1iwa h PRO 410 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1iwa h PRO 410 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1iwa h PRO 410 CO 0.69 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 1iwa n ASP 411 N -2.79 4.48 0.00 1.44 10.43 -1.26 -5.06 116.55 123.79 1iwa n ASP 411 Ca 0.01 -2.39 0.00 0.00 2.57 0.00 0.00 54.79 54.97 1iwa n ASP 411 Cb 0.25 -0.54 0.00 0.00 1.84 0.00 0.00 41.12 42.67 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 1.04 2.45 0.16 0.44 0.00 -1.20 -4.61 105.19 103.48 1iwa n GLY 412 Ca 0.24 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 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 1.17 -0.84 -0.61 2.04 -1.84 -2.23 117.51 115.21 1iwa h ILE 413 Ca 0.00 -0.52 0.10 0.00 1.00 0.00 0.00 64.86 65.44 1iwa h ILE 413 Cb 0.00 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 1iwa h ILE 413 CO 0.00 0.18 0.48 1.56 0.00 0.00 0.00 178.15 180.38 1iwa h GLN 414 N 0.39 0.78 -0.41 2.37 4.20 -1.89 -1.26 115.11 119.29 1iwa h GLN 414 Ca 0.11 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1iwa h GLN 414 Cb 0.16 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1iwa h GLN 414 CO -0.01 0.52 0.15 0.00 -0.67 0.00 0.00 178.83 178.82 1iwa h ALA 415 N 1.46 0.54 -0.45 3.87 0.00 -1.77 -0.59 119.26 122.32 1iwa h ALA 415 Ca 0.40 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1iwa h ALA 415 Cb 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1iwa h ALA 415 CO -0.25 0.16 0.26 0.78 0.00 0.00 0.00 179.25 180.20 1iwa h GLY 416 N 0.52 0.63 0.91 0.00 0.00 -0.74 -1.72 103.07 102.67 1iwa h GLY 416 Ca 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1iwa h GLY 416 CO -0.01 0.16 -0.11 0.00 0.00 0.00 0.00 176.54 176.58 1iwa h ALA 417 N 1.21 -0.30 -0.54 3.60 0.00 -1.04 -2.81 119.26 119.38 1iwa h ALA 417 Ca 0.18 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1iwa h ALA 417 Cb 0.04 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 1iwa h ALA 417 CO -0.10 -0.62 0.09 1.15 0.00 0.00 0.00 179.25 179.77 1iwa h THR 418 N -0.39 0.65 -0.65 0.00 2.02 -0.83 -0.61 112.91 113.11 1iwa h THR 418 Ca -0.03 -0.07 0.13 0.00 0.77 0.00 0.00 66.41 67.21 1iwa h THR 418 Cb 0.30 0.42 -0.10 0.00 -1.74 0.00 0.00 68.15 67.03 1iwa h THR 418 CO 0.05 0.04 0.07 0.00 0.37 0.00 0.00 175.52 176.04 1iwa h ALA 419 N 1.44 0.71 -0.21 6.16 0.00 -1.17 0.16 119.26 126.36 1iwa h ALA 419 Ca 0.28 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.31 1iwa h ALA 419 Cb 0.41 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1iwa h ALA 419 CO -0.39 -0.37 -0.07 -0.91 0.00 0.00 0.00 179.25 177.52 1iwa h ASN 420 N 0.18 0.42 -0.65 0.00 2.35 -0.99 -1.05 115.58 115.84 1iwa h ASN 420 Ca 0.35 -0.38 0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1iwa h ASN 420 Cb 0.56 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.78 1iwa h ASN 420 CO -0.51 0.71 0.41 -0.09 -1.65 0.00 0.00 177.43 176.30 1iwa h ARG 421 N 0.13 0.80 -0.22 0.81 9.65 -0.28 0.12 114.38 125.39 1iwa h ARG 421 Ca 0.05 -0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 58.79 1iwa h ARG 421 Cb 0.53 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1iwa h ARG 421 CO 0.02 0.53 -0.22 0.28 2.80 0.00 0.00 179.97 183.38 1iwa h VAL 422 N 0.83 1.32 -0.46 0.20 2.07 -0.73 -1.79 116.25 117.69 1iwa h VAL 422 Ca 0.25 -1.39 0.06 0.00 0.82 0.00 0.00 66.70 66.44 1iwa h VAL 422 Cb -0.03 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1iwa h VAL 422 CO -0.08 0.43 0.17 0.00 0.02 0.00 0.00 177.57 178.11 1iwa h ALA 423 N 0.66 0.56 0.02 1.67 0.00 -0.87 -0.53 119.26 120.77 1iwa h ALA 423 Ca 0.03 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1iwa h ALA 423 Cb 0.77 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1iwa h ALA 423 CO 0.05 -0.22 -0.01 1.25 0.00 0.00 0.00 179.25 180.32 1iwa h LEU 424 N 0.35 -0.03 -0.69 0.00 5.85 -0.68 -2.48 115.31 117.63 1iwa h LEU 424 Ca 0.22 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 1iwa h LEU 424 Cb 0.21 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1iwa h LEU 424 CO -0.21 -0.02 0.12 -0.33 -0.34 0.00 0.00 178.44 177.65 1iwa h GLU 425 N -0.03 1.13 -0.36 1.25 5.08 -0.99 -2.65 114.58 118.00 1iwa h GLU 425 Ca -0.00 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1iwa h GLU 425 Cb 0.03 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1iwa h GLU 425 CO 0.00 1.02 0.23 0.00 -1.00 0.00 0.00 179.01 179.27 1iwa h ALA 426 N 1.06 0.46 -0.91 3.43 0.00 -1.04 -0.77 119.26 121.49 1iwa h ALA 426 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1iwa h ALA 426 Cb 0.44 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1iwa h ALA 426 CO 0.01 -0.07 0.58 1.98 0.00 0.00 0.00 179.25 181.75 1iwa h MET 427 N 0.49 1.22 0.00 0.00 1.85 -1.31 -1.65 114.93 115.53 1iwa h MET 427 Ca 0.13 -0.09 -0.02 0.00 -0.61 0.00 0.00 59.70 59.12 1iwa h MET 427 Cb -0.04 -0.27 -0.00 0.00 0.43 0.00 0.00 31.60 31.72 1iwa h MET 427 CO -0.03 0.83 -0.38 -0.84 -0.40 0.00 0.00 176.91 176.09 1iwa h ILE 428 N 1.25 0.09 -0.17 1.77 -0.00 -1.27 -1.30 117.51 117.89 1iwa h ILE 428 Ca 0.33 -1.14 -0.13 0.00 -0.00 0.00 0.00 64.86 63.92 1iwa h ILE 428 Cb -0.10 1.89 -0.01 0.00 -0.00 0.00 0.00 36.82 38.60 1iwa h ILE 428 CO -0.07 0.05 -0.44 0.25 -0.00 0.00 0.00 178.15 177.94 1iwa h LEU 429 N 0.00 0.44 -0.18 0.16 7.12 -0.82 -1.06 115.31 120.96 1iwa h LEU 429 Ca -0.01 -0.20 -0.22 0.00 0.13 0.00 0.00 57.88 57.58 1iwa h LEU 429 Cb 1.05 -0.12 0.01 0.00 -0.53 0.00 0.00 40.66 41.07 1iwa h LEU 429 CO 0.01 0.83 -0.74 0.00 -0.13 0.00 0.00 178.44 178.41 1iwa h ALA 430 N 1.19 0.34 -0.07 1.25 0.00 -1.16 -2.59 119.26 118.22 1iwa h ALA 430 Ca 0.02 -0.59 0.01 0.00 0.00 0.00 0.00 54.91 54.36 1iwa h ALA 430 Cb 0.91 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1iwa h ALA 430 CO 0.08 0.68 -0.02 -0.09 0.00 0.00 0.00 179.25 179.90 1iwa h ARG 431 N 0.57 0.00 -0.17 0.00 2.43 -0.95 -1.89 114.38 114.36 1iwa h ARG 431 Ca -0.04 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1iwa h ARG 431 Cb 1.36 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1iwa h ARG 431 CO 0.15 0.00 0.12 -0.91 -1.51 0.00 0.00 179.97 177.83 1iwa h ASN 432 N 0.00 0.09 0.00 -3.80 4.21 -1.20 0.19 115.58 115.07 1iwa h ASN 432 Ca 0.04 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.54 1iwa h ASN 432 Cb 0.05 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 1iwa h ASN 432 CO -0.08 0.06 0.00 -0.62 -1.29 0.00 0.00 177.43 175.51 1iwa n GLU 433 N -4.50 0.99 -3.54 0.81 1.02 -0.74 -4.88 120.64 109.80 1iwa n GLU 433 Ca 0.01 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 1iwa n GLU 433 Cb 0.18 -1.10 0.08 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.60 -3.34 -4.90 1.62 5.15 0.67 -5.01 115.26 108.85 1iwa n ASN 434 Ca 0.05 -0.63 -0.30 0.00 -0.60 0.00 0.00 54.58 53.10 1iwa n ASN 434 Cb 0.02 -4.91 -0.04 0.00 -0.53 0.00 0.00 39.78 34.32 1iwa n ASN 434 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1iwa s ARG 435 N -5.78 3.34 -1.24 1.20 0.52 -1.03 -4.98 118.95 110.99 1iwa s ARG 435 Ca 0.21 -0.52 -0.17 0.00 -0.52 0.00 0.00 55.73 54.73 1iwa s ARG 435 Cb -0.09 -2.97 -0.02 0.00 0.52 0.00 0.00 34.95 32.39 1iwa s ARG 435 CO 0.75 0.58 2.11 -3.47 0.02 0.00 0.00 175.30 175.29 1iwa n ASP 436 N 0.15 3.49 0.27 0.23 4.64 -1.26 -4.70 116.55 119.37 1iwa n ASP 436 Ca -0.06 -2.79 0.16 0.00 -1.38 0.00 0.00 54.79 50.71 1iwa n ASP 436 Cb 0.52 -1.50 0.89 0.00 -1.04 0.00 0.00 41.12 39.99 1iwa n ASP 436 CO 0.00 0.00 0.00 0.10 -0.82 0.00 0.00 177.20 176.48 1iwa h TYR 437 N 6.73 0.00 0.09 -0.67 -0.00 -1.93 0.11 116.97 121.29 1iwa h TYR 437 Ca 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 59.24 1iwa h TYR 437 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.40 1iwa h TYR 437 CO 1.39 0.00 -0.05 1.25 -0.00 0.00 0.00 178.16 180.75 1iwa h LEU 438 N 0.00 -0.11 0.00 0.10 6.46 -1.85 0.69 115.31 120.61 1iwa h LEU 438 Ca 0.02 -0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1iwa h LEU 438 Cb 0.14 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1iwa h LEU 438 CO -0.00 0.02 -0.00 0.74 -0.62 0.00 0.00 178.44 178.58 1iwa h THR 439 N -0.23 1.39 0.00 1.05 2.02 -1.74 -3.19 112.91 112.21 1iwa h THR 439 Ca -0.01 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1iwa h THR 439 Cb 0.19 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1iwa h THR 439 CO 0.02 0.31 0.00 -0.62 0.37 0.00 0.00 175.52 175.60 1iwa n GLU 440 N -4.85 0.55 0.00 6.66 1.02 0.29 -4.52 120.64 119.80 1iwa n GLU 440 Ca -0.09 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1iwa n GLU 440 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.90 -2.74 0.39 0.62 0.00 0.24 -1.07 105.19 103.53 1iwa n GLY 441 Ca 0.16 0.53 0.26 0.00 0.00 0.00 0.00 46.02 46.97 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 0.30 -0.16 1.61 0.11 -1.84 0.17 132.00 132.19 1iwa h PRO 442 Ca 0.00 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.90 1iwa h PRO 442 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1iwa h PRO 442 CO 0.00 0.20 -0.69 0.93 -0.21 0.00 0.00 178.00 178.23 1iwa h GLU 443 N 0.31 0.65 -0.39 1.05 4.39 -1.56 -1.42 114.58 117.62 1iwa h GLU 443 Ca 0.70 -0.49 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1iwa h GLU 443 Cb 1.80 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.52 1iwa h GLU 443 CO -0.44 1.11 0.22 0.82 -1.16 0.00 0.00 179.01 179.56 1iwa h ILE 444 N 0.46 1.14 -0.48 3.13 2.04 0.97 0.39 117.51 125.17 1iwa h ILE 444 Ca -0.03 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 1iwa h ILE 444 Cb 1.29 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1iwa h ILE 444 CO 0.14 0.15 0.13 -0.07 0.00 0.00 0.00 178.15 178.50 1iwa h LEU 445 N 0.50 0.71 -0.87 1.44 3.38 -1.33 -1.72 115.31 117.41 1iwa h LEU 445 Ca 0.14 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1iwa h LEU 445 Cb 0.05 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1iwa h LEU 445 CO -0.02 0.74 0.56 -0.09 0.09 0.00 0.00 178.44 179.72 1iwa h ARG 446 N 0.64 1.06 0.00 1.13 9.65 -0.77 0.14 114.38 126.23 1iwa h ARG 446 Ca 0.15 -0.06 -0.07 0.00 -1.10 0.00 0.00 59.98 58.90 1iwa h ARG 446 Cb 0.30 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1iwa h ARG 446 CO -0.00 0.70 -0.32 1.49 2.80 0.00 0.00 179.97 184.64 1iwa h GLU 447 N 1.09 0.00 0.19 0.20 4.57 0.11 -3.07 114.58 117.68 1iwa h GLU 447 Ca 0.35 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 58.20 1iwa h GLU 447 Cb 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1iwa h GLU 447 CO -0.12 0.32 -1.57 0.00 -1.18 0.00 0.00 179.01 176.46 1iwa h ALA 448 N 1.68 0.05 0.00 2.92 0.00 -0.46 -3.30 119.26 120.15 1iwa h ALA 448 Ca -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1iwa h ALA 448 Cb 0.78 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1iwa h ALA 448 CO 0.04 0.86 0.00 0.00 0.00 0.00 0.00 179.25 180.15 1iwa h ALA 449 N 0.10 1.00 0.00 0.00 0.00 -0.71 -1.10 119.26 118.55 1iwa h ALA 449 Ca -0.30 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1iwa h ALA 449 Cb 2.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 1iwa h ALA 449 CO 0.19 0.00 -0.16 0.87 0.00 0.00 0.00 179.25 180.15 1iwa h LYS 450 N 0.00 0.00 -0.02 0.00 1.57 -1.61 -2.63 116.57 113.88 1iwa h LYS 450 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1iwa h LYS 450 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1iwa h LYS 450 CO 0.00 0.16 -0.12 2.41 -0.57 0.00 0.00 179.45 181.33 1iwa n THR 451 N -3.98 0.00 -3.55 -0.16 -1.04 -0.42 -4.86 114.28 100.28 1iwa n THR 451 Ca -0.02 -0.44 -0.24 0.00 -2.04 0.00 0.00 64.05 61.30 1iwa n THR 451 Cb 0.25 1.37 -0.15 0.00 -1.82 0.00 0.00 70.33 69.97 1iwa n THR 451 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iwa h GLY 453 N 8.38 0.70 0.49 0.00 0.00 -1.89 -1.64 103.07 109.11 1iwa h GLY 453 Ca -0.17 -0.21 0.09 0.00 0.00 0.00 0.00 47.33 47.05 1iwa h GLY 453 CO 0.33 0.13 0.41 0.00 0.00 0.00 0.00 176.54 177.41 1iwa h ALA 454 N 1.67 1.07 -0.14 3.60 0.00 -1.91 -2.09 119.26 121.46 1iwa h ALA 454 Ca 0.30 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1iwa h ALA 454 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1iwa h ALA 454 CO -0.09 0.01 -0.39 1.25 0.00 0.00 0.00 179.25 180.03 1iwa h LEU 455 N 0.68 0.60 -0.24 0.00 5.85 -1.61 -2.81 115.31 117.78 1iwa h LEU 455 Ca 0.37 -0.59 0.06 0.00 0.84 0.00 0.00 57.88 58.56 1iwa h LEU 455 Cb 0.37 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 1iwa h LEU 455 CO -0.26 1.08 -0.38 -0.09 -0.34 0.00 0.00 178.44 178.44 1iwa h ARG 456 N 0.15 -0.38 -0.10 1.25 2.43 -1.15 0.12 114.38 116.70 1iwa h ARG 456 Ca -0.01 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1iwa h ARG 456 Cb 1.01 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.60 1iwa h ARG 456 CO 0.08 -0.25 -0.18 1.15 -1.51 0.00 0.00 179.97 179.26 1iwa h THR 457 N -0.39 0.54 -0.65 0.20 2.02 -1.45 -1.74 112.91 111.43 1iwa h THR 457 Ca 0.11 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.42 1iwa h THR 457 Cb 0.58 0.54 -0.09 0.00 -1.74 0.00 0.00 68.15 67.44 1iwa h THR 457 CO -0.45 0.00 0.18 0.00 0.37 0.00 0.00 175.52 175.62 1iwa h ALA 458 N 0.74 0.82 -0.33 6.16 0.00 -1.08 -0.45 119.26 125.12 1iwa h ALA 458 Ca 0.09 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1iwa h ALA 458 Cb 0.37 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1iwa h ALA 458 CO -0.24 -0.28 0.21 -0.07 0.00 0.00 0.00 179.25 178.87 1iwa h LEU 459 N 0.31 0.39 0.08 0.00 3.38 0.06 -3.02 115.31 116.51 1iwa h LEU 459 Ca 0.35 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.20 1iwa h LEU 459 Cb 0.53 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.20 1iwa h LEU 459 CO -0.42 0.29 -0.49 0.44 0.09 0.00 0.00 178.44 178.35 1iwa h ASP 460 N 0.46 0.28 -0.10 -0.43 3.32 -0.49 -3.21 116.42 116.25 1iwa h ASP 460 Ca 0.12 -0.97 0.02 0.00 0.02 0.00 0.00 57.03 56.22 1iwa h ASP 460 Cb -0.04 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 1iwa h ASP 460 CO -0.03 1.23 -0.36 0.25 -1.72 0.00 0.00 179.24 178.61 1iwa h LEU 461 N -0.61 -1.16 -5.62 1.55 6.46 -1.05 -2.95 115.31 111.93 1iwa h LEU 461 Ca -0.08 0.14 -0.74 0.00 -0.12 0.00 0.00 57.88 57.07 1iwa h LEU 461 Cb 1.38 0.45 -0.31 0.00 -0.73 0.00 0.00 40.66 41.46 1iwa h LEU 461 CO 0.09 -0.32 0.58 0.79 -0.62 0.00 0.00 178.44 178.96 1iwa n TRP 462 N -4.47 3.12 0.00 1.25 8.01 -1.16 -4.78 117.44 119.40 1iwa n TRP 462 Ca -0.04 -2.82 -0.13 0.00 -1.31 0.00 0.00 57.50 53.20 1iwa n TRP 462 Cb 0.25 -0.97 -0.10 0.00 -2.01 0.00 0.00 31.31 28.49 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 3.55 -0.05 -0.59 -0.99 3.64 -1.51 -3.32 116.57 117.29 1iwa h LYS 463 Ca 0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1iwa h LYS 463 Cb 0.34 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1iwa h LYS 463 CO 1.15 0.45 0.00 -0.25 -2.27 0.00 0.00 179.45 178.52 1iwa n ASP 464 N -4.87 4.31 -4.64 4.20 9.92 -1.26 -4.97 116.55 119.24 1iwa n ASP 464 Ca -0.09 -2.36 -0.42 0.00 -0.53 0.00 0.00 54.79 51.39 1iwa n ASP 464 Cb 0.26 -0.51 -0.03 0.00 -0.64 0.00 0.00 41.12 40.20 1iwa n ASP 464 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1iwa s ILE 465 N -1.67 3.42 0.10 0.53 -1.09 -1.25 -4.97 121.20 116.27 1iwa s ILE 465 Ca 0.46 0.49 0.00 0.00 -2.23 0.00 0.00 60.65 59.38 1iwa s ILE 465 Cb 0.29 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.75 1iwa s ILE 465 CO 0.24 -0.11 -0.02 -0.89 -1.23 0.00 0.00 174.94 172.94 1iwa s THR 466 N 4.94 0.37 -0.43 2.92 2.01 -1.26 -5.08 115.64 119.12 1iwa s THR 466 Ca 0.79 -1.89 0.09 0.00 0.31 0.00 0.00 61.69 61.00 1iwa s THR 466 Cb -0.33 -1.76 0.29 0.00 0.01 0.00 0.00 72.50 70.71 1iwa s THR 466 CO 0.33 -0.78 0.66 0.49 -0.69 0.00 0.00 174.62 174.63 1iwa n PHE 467 N -0.02 0.63 -3.10 4.92 3.72 -1.26 -5.08 117.46 117.27 1iwa n PHE 467 Ca -0.11 -3.75 -0.42 0.00 -0.05 0.00 0.00 57.45 53.12 1iwa n PHE 467 Cb 0.62 -0.41 -0.07 0.00 -0.94 0.00 0.00 39.48 38.68 1iwa n PHE 467 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1iwa s ASN 468 N -1.96 6.40 0.19 4.37 0.01 -1.26 -4.90 114.94 117.78 1iwa s ASN 468 Ca 0.38 -0.00 -0.07 0.00 -0.71 0.00 0.00 52.86 52.46 1iwa s ASN 468 Cb 0.24 -2.33 -0.02 0.00 0.41 0.00 0.00 41.25 39.55 1iwa s ASN 468 CO -0.09 -0.67 0.27 -0.31 -1.51 0.00 0.00 177.10 174.79 1iwa s TYR 469 N 2.79 0.60 -0.09 2.20 1.51 -1.26 -5.14 117.35 117.97 1iwa s TYR 469 Ca 0.24 -0.93 -0.28 0.00 -1.01 0.00 0.00 57.07 55.09 1iwa s TYR 469 Cb -0.14 -0.15 -0.02 0.00 -0.11 0.00 0.00 41.96 41.53 1iwa s TYR 469 CO 0.17 -0.74 0.91 0.99 -1.11 0.00 0.00 175.55 175.77 1iwa s THR 470 N -4.03 4.87 0.67 -0.71 2.01 -1.26 -5.03 115.64 112.16 1iwa s THR 470 Ca 0.24 1.86 -0.15 0.00 0.31 0.00 0.00 61.69 63.95 1iwa s THR 470 Cb 0.04 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.32 1iwa s THR 470 CO 0.05 0.09 1.12 -0.44 -0.69 0.00 0.00 174.62 174.75 1iwa s SER 471 N 1.04 4.99 -0.20 3.53 0.01 -1.26 -4.99 113.70 116.82 1iwa s SER 471 Ca 0.45 2.04 -0.03 0.00 1.31 0.00 0.00 55.95 59.72 1iwa s SER 471 Cb -0.18 -2.55 -0.11 0.00 0.21 0.00 0.00 66.02 63.38 1iwa s SER 471 CO 0.19 -1.71 -0.21 0.35 0.41 0.00 0.00 173.24 172.27 1iwa n THR 472 N -2.48 1.12 -2.96 1.44 -2.24 -1.26 -4.77 114.28 103.13 1iwa n THR 472 Ca 0.11 -0.37 -0.44 0.00 -2.27 0.00 0.00 64.05 61.07 1iwa n THR 472 Cb 0.52 -1.41 -0.02 0.00 -2.10 0.00 0.00 70.33 67.32 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 -6.25 6.77 0.19 3.42 2.15 -1.23 -4.30 116.67 117.41 1iwa s ASP 473 Ca -0.27 -2.37 0.10 0.00 0.43 0.00 0.00 52.55 50.45 1iwa s ASP 473 Cb 0.08 -2.38 -0.04 0.00 -0.30 0.00 0.00 42.92 40.28 1iwa s ASP 473 CO 0.41 -0.94 -0.18 -0.89 -0.17 0.00 0.00 175.17 173.41 1iwa s THR 474 N 2.17 2.68 1.07 1.71 2.01 -1.26 -4.51 115.64 119.51 1iwa s THR 474 Ca 0.34 -1.89 -0.12 0.00 0.31 0.00 0.00 61.69 60.33 1iwa s THR 474 Cb -0.05 -2.31 0.23 0.00 0.01 0.00 0.00 72.50 70.39 1iwa s THR 474 CO -0.07 -0.12 1.06 -0.55 -0.69 0.00 0.00 174.62 174.26 1iwa s SER 475 N -2.75 1.81 -0.00 3.53 0.15 -1.26 -4.99 113.70 110.19 1iwa s SER 475 Ca 0.23 1.62 0.06 0.00 0.70 0.00 0.00 55.95 58.55 1iwa s SER 475 Cb -0.08 -2.30 -0.07 0.00 -1.71 0.00 0.00 66.02 61.86 1iwa s SER 475 CO 0.12 -3.70 0.22 0.47 1.20 0.00 0.00 173.24 171.54 1iwa n ASP 476 N -4.59 1.34 -2.36 5.45 8.00 -1.26 -4.70 116.55 118.43 1iwa n ASP 476 Ca 0.05 -0.44 -0.29 0.00 0.71 0.00 0.00 54.79 54.83 1iwa n ASP 476 Cb 0.54 1.09 0.02 0.00 -0.02 0.00 0.00 41.12 42.76 1iwa n ASP 476 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1iwa n PHE 477 N -1.32 3.09 -0.68 1.24 3.01 -1.26 -4.77 117.46 116.77 1iwa n PHE 477 Ca 0.00 -2.67 0.00 0.00 1.01 0.00 0.00 57.45 55.79 1iwa n PHE 477 Cb 0.11 -0.53 0.00 0.00 -0.01 0.00 0.00 39.48 39.06 1iwa n PHE 477 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10