#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwa s ARG 9 N 0.00 3.19 0.00 3.17 3.52 -1.26 -4.32 118.95 123.25 1iwa s ARG 9 Ca 0.00 -0.75 -0.30 0.00 -0.13 0.00 0.00 55.73 54.55 1iwa s ARG 9 Cb 0.00 -2.66 -0.06 0.00 -1.56 0.00 0.00 34.95 30.67 1iwa s ARG 9 CO 0.00 -0.06 1.42 0.42 -0.81 0.00 0.00 175.30 176.27 1iwa s ILE 10 N 1.00 3.67 -0.44 4.11 -1.09 -1.26 -4.93 121.20 122.26 1iwa s ILE 10 Ca -0.02 1.06 0.04 0.00 -2.23 0.00 0.00 60.65 59.50 1iwa s ILE 10 Cb -0.15 -3.68 0.52 0.00 -1.58 0.00 0.00 42.46 37.57 1iwa s ILE 10 CO -0.03 -0.00 1.68 0.35 -1.23 0.00 0.00 174.94 175.71 1iwa n THR 11 N 4.66 3.02 -1.88 2.92 -2.24 -1.26 -4.93 114.28 114.57 1iwa n THR 11 Ca 0.13 -2.91 -0.29 0.00 -2.27 0.00 0.00 64.05 58.71 1iwa n THR 11 Cb 0.43 -0.76 0.09 0.00 -2.10 0.00 0.00 70.33 68.00 1iwa n THR 11 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1iwa s GLN 12 N -3.50 2.03 0.00 -0.78 -0.21 -1.26 -4.80 119.66 111.14 1iwa s GLN 12 Ca 0.55 0.17 0.00 0.00 0.02 0.00 0.00 55.36 56.09 1iwa s GLN 12 Cb 0.45 -1.95 0.00 0.00 1.00 0.00 0.00 33.01 32.51 1iwa s GLN 12 CO 0.03 -1.56 0.00 0.41 -2.12 0.00 0.00 175.29 172.04 1iwa n GLY 13 N -3.21 -0.11 0.27 3.09 0.00 -1.26 -4.36 105.19 99.62 1iwa n GLY 13 Ca 0.08 -1.52 0.14 0.00 0.00 0.00 0.00 46.02 44.72 1iwa n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1iwa h THR 14 N 0.00 0.48 0.00 2.61 2.02 -0.65 -3.30 112.91 114.07 1iwa h THR 14 Ca 0.00 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 1iwa h THR 14 Cb 0.00 1.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1iwa h THR 14 CO 0.00 0.09 -0.21 0.49 0.37 0.00 0.00 175.52 176.26 1iwa n PHE 15 N -3.58 0.00 0.55 3.16 3.72 -1.26 -4.84 117.46 115.21 1iwa n PHE 15 Ca -0.02 -0.61 0.05 0.00 -0.05 0.00 0.00 57.45 56.82 1iwa n PHE 15 Cb 0.22 -0.11 0.27 0.00 -0.94 0.00 0.00 39.48 38.92 1iwa n PHE 15 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1iwa n SER 16 N -0.85 0.00 -0.17 4.37 7.64 -1.25 -1.48 113.62 121.88 1iwa n SER 16 Ca 0.10 -0.09 0.11 0.00 1.01 0.00 0.00 58.87 59.99 1iwa n SER 16 Cb 0.67 -0.14 0.02 0.00 -1.01 0.00 0.00 64.21 63.75 1iwa n SER 16 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1iwa n PHE 17 N -1.14 0.00 -3.83 1.43 3.72 -1.26 -4.86 117.46 111.52 1iwa n PHE 17 Ca 0.06 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.26 1iwa n PHE 17 Cb 0.05 -0.05 -0.02 0.00 -0.94 0.00 0.00 39.48 38.53 1iwa n PHE 17 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1iwa s LEU 18 N -2.80 4.19 0.87 4.37 1.43 -0.55 -5.08 118.68 121.11 1iwa s LEU 18 Ca 0.13 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 1iwa s LEU 18 Cb 0.17 -2.80 0.08 0.00 0.03 0.00 0.00 46.19 43.67 1iwa s LEU 18 CO 0.72 -0.18 0.93 -2.65 0.23 0.00 0.00 176.35 175.41 1iwa n PRO 19 N -1.47 -0.11 -1.63 1.29 -0.02 -1.26 -4.84 135.00 126.96 1iwa n PRO 19 Ca -0.06 0.03 -0.46 0.00 -2.02 0.00 0.00 63.50 60.99 1iwa n PRO 19 Cb 0.57 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1iwa n PRO 19 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1iwa n ASP 20 N -2.81 2.16 -4.79 2.55 10.43 -1.26 -4.89 116.55 117.94 1iwa n ASP 20 Ca 0.11 1.14 -0.34 0.00 2.57 0.00 0.00 54.79 58.27 1iwa n ASP 20 Cb 0.52 -1.34 -0.01 0.00 1.84 0.00 0.00 41.12 42.12 1iwa n ASP 20 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1iwa s LEU 21 N 0.33 3.74 0.41 0.64 1.43 -1.26 -5.05 118.68 118.92 1iwa s LEU 21 Ca 0.70 1.98 -0.00 0.00 -1.03 0.00 0.00 54.13 55.78 1iwa s LEU 21 Cb -0.73 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 40.91 1iwa s LEU 21 CO 0.51 -1.01 0.64 0.42 0.23 0.00 0.00 176.35 177.13 1iwa s THR 22 N -2.02 4.59 0.55 5.49 -4.23 -1.26 -4.91 115.64 113.84 1iwa s THR 22 Ca 0.68 -0.39 0.24 0.00 -1.18 0.00 0.00 61.69 61.04 1iwa s THR 22 Cb -0.19 -3.69 0.35 0.00 1.34 0.00 0.00 72.50 70.31 1iwa s THR 22 CO 0.26 -0.50 2.09 0.44 -0.54 0.00 0.00 174.62 176.36 1iwa h ASP 23 N 0.52 0.00 0.82 3.99 5.19 -1.98 -0.26 116.42 124.69 1iwa h ASP 23 Ca -0.48 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 55.89 1iwa h ASP 23 Cb 1.23 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.75 1iwa h ASP 23 CO 0.60 0.00 -0.39 -0.08 -3.12 0.00 0.00 179.24 176.24 1iwa h GLU 24 N 0.00 -1.06 -0.98 3.56 4.22 -1.99 -0.37 114.58 117.96 1iwa h GLU 24 Ca 0.11 0.07 0.06 0.00 0.08 0.00 0.00 59.36 59.69 1iwa h GLU 24 Cb 0.50 0.24 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 1iwa h GLU 24 CO -0.00 -0.70 0.63 1.96 -2.18 0.00 0.00 179.01 178.73 1iwa h GLN 25 N -1.21 1.14 -0.86 1.92 4.20 -1.71 -1.49 115.11 117.10 1iwa h GLN 25 Ca -0.11 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 1iwa h GLN 25 Cb 0.85 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 1iwa h GLN 25 CO 0.18 0.75 0.49 0.82 -0.67 0.00 0.00 178.83 180.41 1iwa h ILE 26 N 1.17 1.24 -0.62 2.54 2.04 -0.98 -0.79 117.51 122.11 1iwa h ILE 26 Ca 0.42 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1iwa h ILE 26 Cb 0.13 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 1iwa h ILE 26 CO -0.16 0.26 0.41 0.50 0.00 0.00 0.00 178.15 179.16 1iwa h LYS 27 N 1.18 0.81 -0.71 2.37 3.11 -0.03 0.11 116.57 123.41 1iwa h LYS 27 Ca 0.30 -0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 58.04 1iwa h LYS 27 Cb -0.01 -0.18 -0.03 0.00 -1.00 0.00 0.00 32.23 31.01 1iwa h LYS 27 CO -0.05 0.54 0.24 0.87 -2.81 0.00 0.00 179.45 178.24 1iwa h LYS 28 N 0.84 1.09 -0.53 1.90 1.57 -0.83 -1.13 116.57 119.48 1iwa h LYS 28 Ca 0.23 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1iwa h LYS 28 Cb -0.09 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 1iwa h LYS 28 CO -0.05 0.93 0.17 1.96 -0.57 0.00 0.00 179.45 181.89 1iwa h GLN 29 N 1.04 0.78 -0.01 3.15 1.08 -0.51 -0.47 115.11 120.17 1iwa h GLN 29 Ca 0.23 -0.13 -0.08 0.00 -1.45 0.00 0.00 58.65 57.22 1iwa h GLN 29 Cb 0.28 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1iwa h GLN 29 CO -0.01 0.67 -0.37 0.82 -0.95 0.00 0.00 178.83 178.99 1iwa h ILE 30 N 0.76 1.27 0.17 2.54 2.04 -0.11 -1.43 117.51 122.75 1iwa h ILE 30 Ca 0.18 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1iwa h ILE 30 Cb 0.21 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1iwa h ILE 30 CO -0.01 0.37 -0.08 0.44 0.00 0.00 0.00 178.15 178.87 1iwa h ASP 31 N 0.01 -0.19 -0.46 1.72 3.32 0.10 -0.81 116.42 120.12 1iwa h ASP 31 Ca -0.00 -0.13 0.09 0.00 0.02 0.00 0.00 57.03 57.01 1iwa h ASP 31 Cb 0.66 0.05 -0.09 0.00 0.22 0.00 0.00 39.33 40.17 1iwa h ASP 31 CO 0.05 0.02 -0.18 0.22 -1.72 0.00 0.00 179.24 177.63 1iwa h TYR 32 N -0.39 -0.43 -0.31 4.55 3.20 -0.81 0.36 116.97 123.14 1iwa h TYR 32 Ca -0.02 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1iwa h TYR 32 Cb 0.30 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1iwa h TYR 32 CO -0.02 -0.26 0.17 0.52 -1.64 0.00 0.00 178.16 176.93 1iwa h MET 33 N -0.08 0.42 -0.18 1.82 2.86 -1.14 -2.10 114.93 116.54 1iwa h MET 33 Ca 0.22 -0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 57.65 1iwa h MET 33 Cb 0.42 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.99 1iwa h MET 33 CO -0.51 0.32 -0.56 0.82 1.06 0.00 0.00 176.91 178.03 1iwa h ILE 34 N 0.43 1.31 0.00 -1.22 2.04 0.80 -0.78 117.51 120.09 1iwa h ILE 34 Ca 0.11 -1.79 -0.01 0.00 1.00 0.00 0.00 64.86 64.17 1iwa h ILE 34 Cb 0.02 1.94 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1iwa h ILE 34 CO -0.02 0.56 -0.03 0.77 0.00 0.00 0.00 178.15 179.43 1iwa h SER 35 N 0.39 0.00 -0.58 1.72 4.64 0.17 -0.76 113.55 119.13 1iwa h SER 35 Ca -0.02 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 1iwa h SER 35 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 1iwa h SER 35 CO 0.12 0.03 0.04 0.29 -0.87 0.00 0.00 176.83 176.44 1iwa n LYS 36 N -4.13 4.61 -4.07 4.77 5.02 -0.85 -4.95 118.16 118.57 1iwa n LYS 36 Ca -0.03 -3.03 -0.36 0.00 -2.02 0.00 0.00 58.31 52.87 1iwa n LYS 36 Cb 0.12 -2.24 -0.02 0.00 -0.02 0.00 0.00 35.03 32.87 1iwa n LYS 36 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1iwa n LYS 37 N 0.50 -1.14 -3.83 1.97 4.01 -0.29 -4.93 118.16 114.44 1iwa n LYS 37 Ca 0.29 0.19 -0.33 0.00 -0.51 0.00 0.00 58.31 57.95 1iwa n LYS 37 Cb 1.20 -3.43 -0.05 0.00 -0.51 0.00 0.00 35.03 32.24 1iwa n LYS 37 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1iwa s LEU 38 N -7.21 4.36 0.08 -0.35 1.43 -0.31 -4.72 118.68 111.95 1iwa s LEU 38 Ca 0.26 0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 53.49 1iwa s LEU 38 Cb -0.13 -2.77 -0.05 0.00 0.03 0.00 0.00 46.19 43.27 1iwa s LEU 38 CO 0.95 0.22 1.00 0.00 0.23 0.00 0.00 176.35 178.75 1iwa s ALA 39 N -1.38 3.24 -0.27 4.21 0.00 0.52 -4.80 121.76 123.27 1iwa s ALA 39 Ca 0.30 0.61 -0.05 0.00 0.00 0.00 0.00 51.96 52.82 1iwa s ALA 39 Cb -0.13 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1iwa s ALA 39 CO 0.20 -0.14 0.03 0.42 0.00 0.00 0.00 175.76 176.27 1iwa s ILE 40 N 0.36 3.65 0.23 0.00 1.01 0.15 -0.06 121.20 126.55 1iwa s ILE 40 Ca 0.50 -0.68 0.09 0.00 0.00 0.00 0.00 60.65 60.56 1iwa s ILE 40 Cb -0.24 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 1iwa s ILE 40 CO 0.30 0.19 -0.04 -0.83 0.00 0.00 0.00 174.94 174.56 1iwa s GLY 41 N 1.47 1.69 -0.08 6.18 0.00 0.33 0.19 107.32 117.10 1iwa s GLY 41 Ca 0.03 -1.57 0.01 0.00 0.00 0.00 0.00 44.72 43.19 1iwa s GLY 41 CO -0.00 -1.62 -0.10 -0.42 0.00 0.00 0.00 173.10 170.96 1iwa s ILE 42 N -2.07 1.06 0.08 0.90 1.01 -1.26 -0.78 121.20 120.15 1iwa s ILE 42 Ca 0.29 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.58 1iwa s ILE 42 Cb -0.07 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 1iwa s ILE 42 CO 0.18 0.35 -0.08 -1.61 0.00 0.00 0.00 174.94 173.78 1iwa s GLU 43 N 1.06 0.77 0.02 2.79 2.02 -0.64 -0.20 118.70 124.52 1iwa s GLU 43 Ca -0.07 -1.12 -0.14 0.00 0.02 0.00 0.00 54.97 53.66 1iwa s GLU 43 Cb -0.15 -0.37 0.02 0.00 0.10 0.00 0.00 34.13 33.73 1iwa s GLU 43 CO -0.01 0.04 0.30 1.52 0.02 0.00 0.00 175.26 177.13 1iwa s TYR 44 N -2.57 -0.13 0.11 1.61 -0.85 0.87 -0.61 117.35 115.78 1iwa s TYR 44 Ca 0.04 0.09 -0.25 0.00 -0.52 0.00 0.00 57.07 56.42 1iwa s TYR 44 Cb -0.02 0.09 0.08 0.00 0.38 0.00 0.00 41.96 42.49 1iwa s TYR 44 CO -0.01 -0.45 0.77 0.95 -1.52 0.00 0.00 175.55 175.29 1iwa s THR 45 N -1.99 0.00 -0.20 -3.49 -4.23 -0.12 -0.68 115.64 104.93 1iwa s THR 45 Ca -0.09 -0.17 0.13 0.00 -1.18 0.00 0.00 61.69 60.38 1iwa s THR 45 Cb -0.03 -1.21 0.40 0.00 1.34 0.00 0.00 72.50 73.00 1iwa s THR 45 CO 0.00 0.00 1.23 -0.46 -0.54 0.00 0.00 174.62 174.85 1iwa n ASN 46 N -0.34 2.01 -3.60 3.99 0.23 -1.26 0.15 115.26 116.44 1iwa n ASN 46 Ca -0.11 -3.67 -0.28 0.00 -0.53 0.00 0.00 54.58 49.99 1iwa n ASN 46 Cb 0.63 -0.52 -0.11 0.00 -2.08 0.00 0.00 39.78 37.70 1iwa n ASN 46 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1iwa s ASP 47 N -3.04 2.84 -0.06 0.53 3.68 -1.26 -4.64 116.67 114.72 1iwa s ASP 47 Ca 0.37 -3.27 -0.00 0.00 2.13 0.00 0.00 52.55 51.78 1iwa s ASP 47 Cb 0.35 -0.90 0.05 0.00 -1.45 0.00 0.00 42.92 40.97 1iwa s ASP 47 CO -0.03 -0.15 1.92 2.30 0.13 0.00 0.00 175.17 179.34 1iwa n ILE 48 N 2.65 2.08 -1.95 4.11 -6.64 -1.26 -4.81 119.36 113.54 1iwa n ILE 48 Ca 0.24 -0.69 -0.42 0.00 -1.77 0.00 0.00 62.75 60.11 1iwa n ILE 48 Cb 0.42 -1.42 -0.03 0.00 -1.44 0.00 0.00 39.64 37.17 1iwa n ILE 48 CO 0.00 0.00 0.00 -2.28 -1.77 0.00 0.00 176.55 172.50 1iwa s HIS 49 N -0.37 2.94 0.64 4.28 2.46 -1.26 -4.84 115.29 119.14 1iwa s HIS 49 Ca 0.06 0.58 0.31 0.00 0.47 0.00 0.00 55.06 56.48 1iwa s HIS 49 Cb 0.05 -3.92 1.67 0.00 -0.13 0.00 0.00 32.58 30.25 1iwa s HIS 49 CO 0.00 -3.45 1.98 -1.00 -2.47 0.00 0.00 174.74 169.80 1iwa h PRO 50 N 7.13 0.00 -0.68 2.88 0.13 -1.96 0.15 132.00 139.65 1iwa h PRO 50 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1iwa h PRO 50 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1iwa h PRO 50 CO 0.91 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.22 1iwa n ARG 51 N -3.20 2.79 -2.55 0.86 5.12 -1.26 -4.67 116.66 113.74 1iwa n ARG 51 Ca 0.00 -2.50 -0.43 0.00 -1.93 0.00 0.00 57.85 53.00 1iwa n ARG 51 Cb 0.40 -1.60 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 1iwa n ARG 51 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1iwa n ASN 64 N 1.40 4.94 -0.33 0.55 5.15 0.51 -4.81 115.26 122.67 1iwa n ASN 64 Ca 0.23 -2.97 0.06 0.00 -0.60 0.00 0.00 54.58 51.30 1iwa n ASN 64 Cb 0.63 -1.61 0.22 0.00 -0.53 0.00 0.00 39.78 38.50 1iwa n ASN 64 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1iwa h ALA 65 N 6.78 1.38 -2.66 5.20 0.00 -1.85 -3.38 119.26 124.74 1iwa h ALA 65 Ca 0.40 0.04 -0.76 0.00 0.00 0.00 0.00 54.91 54.59 1iwa h ALA 65 Cb 0.79 -0.14 -0.27 0.00 0.00 0.00 0.00 17.79 18.17 1iwa h ALA 65 CO 1.47 0.10 -0.10 0.71 0.00 0.00 0.00 179.25 181.44 1iwa s TYR 66 N -5.97 3.55 0.90 0.00 2.02 -1.26 -5.06 117.35 111.53 1iwa s TYR 66 Ca -0.12 -1.90 -0.12 0.00 -0.37 0.00 0.00 57.07 54.56 1iwa s TYR 66 Cb 0.22 -3.70 0.13 0.00 -0.40 0.00 0.00 41.96 38.21 1iwa s TYR 66 CO 0.79 -0.98 1.15 -1.58 -1.57 0.00 0.00 175.55 173.36 1iwa s TRP 67 N 0.63 2.55 0.06 2.71 0.52 -1.26 -4.99 118.94 119.17 1iwa s TRP 67 Ca 0.13 0.82 -0.30 0.00 0.02 0.00 0.00 56.10 56.76 1iwa s TRP 67 Cb -0.18 -3.43 -0.05 0.00 -1.15 0.00 0.00 33.47 28.66 1iwa s TRP 67 CO -0.04 -2.28 1.11 -1.21 0.02 0.00 0.00 176.95 174.54 1iwa s GLU 68 N -5.35 4.51 0.10 4.98 0.41 0.14 -4.79 118.70 118.69 1iwa s GLU 68 Ca 0.64 1.64 -0.24 0.00 -0.41 0.00 0.00 54.97 56.59 1iwa s GLU 68 Cb -0.14 -3.38 -0.07 0.00 -1.78 0.00 0.00 34.13 28.77 1iwa s GLU 68 CO 0.52 -0.13 0.75 0.96 -0.49 0.00 0.00 175.26 176.88 1iwa s ILE 69 N 0.83 4.57 -0.73 -1.63 -4.36 -1.26 -0.09 121.20 118.54 1iwa s ILE 69 Ca 0.55 1.62 -0.18 0.00 -0.26 0.00 0.00 60.65 62.38 1iwa s ILE 69 Cb -0.26 -4.10 0.14 0.00 1.25 0.00 0.00 42.46 39.48 1iwa s ILE 69 CO 0.30 0.45 0.82 0.86 0.24 0.00 0.00 174.94 177.61 1iwa s TRP 70 N -0.64 3.21 0.00 1.37 -0.11 0.72 -4.94 118.94 118.55 1iwa s TRP 70 Ca 0.36 -1.32 0.00 0.00 1.22 0.00 0.00 56.10 56.37 1iwa s TRP 70 Cb -0.22 -4.03 0.00 0.00 -1.50 0.00 0.00 33.47 27.72 1iwa s TRP 70 CO 0.24 -1.27 0.00 0.41 -4.62 0.00 0.00 176.95 171.71 1iwa n GLY 71 N 5.01 -0.25 3.94 5.86 0.00 -1.26 -4.59 105.19 113.90 1iwa n GLY 71 Ca 0.04 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 1iwa n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwa s LEU 72 N 0.00 4.19 0.32 0.99 1.02 -1.26 -4.94 118.68 119.00 1iwa s LEU 72 Ca 0.00 0.34 -0.29 0.00 0.02 0.00 0.00 54.13 54.20 1iwa s LEU 72 Cb 0.00 -3.14 -0.10 0.00 0.02 0.00 0.00 46.19 42.97 1iwa s LEU 72 CO 0.00 -0.12 1.25 -2.16 0.02 0.00 0.00 176.35 175.34 1iwa s PRO 73 N -3.74 4.44 -0.19 1.29 0.04 -1.26 -4.85 135.00 130.73 1iwa s PRO 73 Ca 0.38 2.10 -0.29 0.00 0.04 0.00 0.00 61.00 63.23 1iwa s PRO 73 Cb -0.10 -3.10 -0.00 0.00 0.04 0.00 0.00 34.50 31.33 1iwa s PRO 73 CO 0.31 -0.07 1.14 -0.51 0.04 0.00 0.00 177.00 177.90 1iwa s LEU 74 N -1.70 4.15 0.00 -3.56 1.02 0.51 -4.78 118.68 114.32 1iwa s LEU 74 Ca 0.48 1.54 0.00 0.00 0.02 0.00 0.00 54.13 56.17 1iwa s LEU 74 Cb -0.38 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.29 1iwa s LEU 74 CO 0.50 -0.69 0.00 0.49 0.02 0.00 0.00 176.35 176.66 1iwa n PHE 75 N 6.32 0.00 -1.25 0.29 3.72 -1.26 0.33 117.46 125.60 1iwa n PHE 75 Ca 0.13 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.15 1iwa n PHE 75 Cb 0.46 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.97 1iwa n PHE 75 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1iwa n ASP 76 N -0.01 4.77 -4.73 4.37 8.00 -1.26 -4.67 116.55 123.02 1iwa n ASP 76 Ca 0.00 -2.62 -0.41 0.00 0.71 0.00 0.00 54.79 52.47 1iwa n ASP 76 Cb 0.00 -1.36 -0.03 0.00 -0.02 0.00 0.00 41.12 39.71 1iwa n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1iwa s VAL 77 N 3.52 3.44 0.00 2.53 1.01 -1.26 -4.89 120.40 124.75 1iwa s VAL 77 Ca 0.53 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.68 1iwa s VAL 77 Cb 0.14 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1iwa s VAL 77 CO -0.01 0.17 0.00 0.41 0.00 0.00 0.00 175.10 175.67 1iwa n THR 78 N 2.72 0.00 -3.23 3.92 -1.04 -1.26 -4.93 114.28 110.46 1iwa n THR 78 Ca 0.06 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.63 1iwa n THR 78 Cb 0.44 -0.80 -0.07 0.00 -1.82 0.00 0.00 70.33 68.08 1iwa n THR 78 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1iwa s ASP 79 N -4.37 6.20 0.35 8.00 2.15 -1.26 -4.92 116.67 122.83 1iwa s ASP 79 Ca 0.00 -0.97 0.23 0.00 0.43 0.00 0.00 52.55 52.24 1iwa s ASP 79 Cb 0.00 -2.26 1.27 0.00 -0.30 0.00 0.00 42.92 41.63 1iwa s ASP 79 CO 0.00 -0.79 1.71 1.55 -0.17 0.00 0.00 175.17 177.47 1iwa h PRO 80 N 8.90 0.00 0.00 4.34 0.13 -1.93 0.65 132.00 144.10 1iwa h PRO 80 Ca -0.28 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.70 1iwa h PRO 80 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1iwa h PRO 80 CO 0.92 0.00 -0.72 0.00 -0.23 0.00 0.00 178.00 177.97 1iwa h ALA 81 N 1.98 0.79 -0.67 -0.56 0.00 -1.95 -2.50 119.26 116.36 1iwa h ALA 81 Ca 0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 1iwa h ALA 81 Cb 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1iwa h ALA 81 CO 0.00 0.90 0.10 0.00 0.00 0.00 0.00 179.25 180.25 1iwa h ALA 82 N 1.28 0.92 -0.26 0.00 0.00 -1.28 -0.99 119.26 118.93 1iwa h ALA 82 Ca -0.01 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1iwa h ALA 82 Cb 1.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1iwa h ALA 82 CO 0.09 0.67 -0.11 0.28 0.00 0.00 0.00 179.25 180.18 1iwa h VAL 83 N 1.03 1.29 -0.95 0.00 2.07 -1.58 -3.00 116.25 115.11 1iwa h VAL 83 Ca 0.20 -1.18 0.12 0.00 0.82 0.00 0.00 66.70 66.66 1iwa h VAL 83 Cb 0.45 1.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.64 1iwa h VAL 83 CO 0.01 0.37 0.58 -0.07 0.02 0.00 0.00 177.57 178.49 1iwa h LEU 84 N 0.27 0.84 -0.15 2.57 -0.00 -1.16 -1.00 115.31 116.69 1iwa h LEU 84 Ca 0.06 0.05 0.04 0.00 -0.00 0.00 0.00 57.88 58.04 1iwa h LEU 84 Cb 0.61 -0.11 -0.05 0.00 -0.00 0.00 0.00 40.66 41.11 1iwa h LEU 84 CO 0.04 0.44 -0.14 0.15 -0.00 0.00 0.00 178.44 178.93 1iwa h PHE 85 N 0.92 -0.36 -0.60 1.13 3.57 -1.05 -0.56 116.94 120.00 1iwa h PHE 85 Ca 0.48 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.96 1iwa h PHE 85 Cb 0.49 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 1iwa h PHE 85 CO -0.02 -0.21 0.23 0.93 -2.23 0.00 0.00 178.31 177.01 1iwa h GLU 86 N -0.16 0.90 -0.63 1.11 4.39 -1.28 0.92 114.58 119.83 1iwa h GLU 86 Ca 0.10 -0.17 0.08 0.00 0.34 0.00 0.00 59.36 59.72 1iwa h GLU 86 Cb 0.31 -0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 28.75 1iwa h GLU 86 CO -0.25 0.77 0.28 0.82 -1.16 0.00 0.00 179.01 179.47 1iwa h ILE 87 N 0.83 0.83 -0.02 3.13 2.04 -0.60 0.15 117.51 123.87 1iwa h ILE 87 Ca 0.20 -0.17 -0.17 0.00 1.00 0.00 0.00 64.86 65.71 1iwa h ILE 87 Cb 0.21 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1iwa h ILE 87 CO -0.02 0.09 -0.76 0.78 0.00 0.00 0.00 178.15 178.24 1iwa h ASN 88 N 0.50 0.21 -0.39 1.72 -0.26 -0.83 0.25 115.58 116.78 1iwa h ASN 88 Ca 0.31 -0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.89 1iwa h ASN 88 Cb 0.32 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 1iwa h ASN 88 CO -0.26 0.90 0.22 0.00 -1.06 0.00 0.00 177.43 177.22 1iwa h ALA 89 N 1.10 0.50 -0.16 -0.83 0.00 0.14 0.43 119.26 120.44 1iwa h ALA 89 Ca -0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1iwa h ALA 89 Cb 1.34 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1iwa h ALA 89 CO 0.11 0.03 -0.13 0.00 0.00 0.00 0.00 179.25 179.26 1iwa h ARG 91 N 0.02 0.61 -0.10 0.00 3.08 -0.05 0.41 114.38 118.36 1iwa h ARG 91 Ca 0.03 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 1iwa h ARG 91 Cb 0.65 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1iwa h ARG 91 CO 0.03 0.41 -0.74 0.87 -1.07 0.00 0.00 179.97 179.47 1iwa h LYS 92 N 0.63 0.51 0.00 0.04 1.57 0.01 -1.84 116.57 117.50 1iwa h LYS 92 Ca 0.55 -0.42 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1iwa h LYS 92 Cb 0.90 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1iwa h LYS 92 CO -0.42 1.05 -0.31 0.00 -0.57 0.00 0.00 179.45 179.20 1iwa h ALA 93 N 0.84 0.82 -1.72 3.86 0.00 -0.09 -3.37 119.26 119.59 1iwa h ALA 93 Ca -0.04 -0.28 -0.45 0.00 0.00 0.00 0.00 54.91 54.15 1iwa h ALA 93 Cb 1.33 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.67 1iwa h ALA 93 CO 0.13 0.38 -1.19 0.54 0.00 0.00 0.00 179.25 179.12 1iwa n ARG 94 N -3.20 1.06 0.25 0.00 5.12 0.13 -4.94 116.66 115.07 1iwa n ARG 94 Ca 0.02 -3.37 0.10 0.00 -1.93 0.00 0.00 57.85 52.67 1iwa n ARG 94 Cb 0.63 -1.59 0.67 0.00 -1.16 0.00 0.00 32.46 31.01 1iwa n ARG 94 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1iwa h SER 95 N 3.00 0.00 -0.99 0.55 4.64 -1.51 -2.30 113.55 116.95 1iwa h SER 95 Ca 0.05 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.80 1iwa h SER 95 Cb 1.02 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.81 1iwa h SER 95 CO 0.51 0.11 0.71 -0.46 -0.87 0.00 0.00 176.83 176.84 1iwa n ASN 96 N -4.01 5.13 -4.39 4.97 6.94 -1.26 -4.51 115.26 118.13 1iwa n ASN 96 Ca -0.02 -3.68 -0.20 0.00 -0.02 0.00 0.00 54.58 50.66 1iwa n ASN 96 Cb 0.20 -0.88 -0.10 0.00 -2.36 0.00 0.00 39.78 36.64 1iwa n ASN 96 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1iwa s PHE 97 N -3.49 1.79 -0.08 -2.53 0.40 -0.87 -4.73 117.98 108.48 1iwa s PHE 97 Ca 0.60 -0.76 -0.20 0.00 -0.60 0.00 0.00 56.93 55.97 1iwa s PHE 97 Cb 0.49 -1.01 -0.04 0.00 0.51 0.00 0.00 43.02 42.96 1iwa s PHE 97 CO 0.07 0.18 0.56 0.71 0.70 0.00 0.00 175.22 177.44 1iwa s TYR 98 N -3.14 3.56 -0.06 0.36 1.51 0.12 -4.16 117.35 115.54 1iwa s TYR 98 Ca 0.28 1.05 0.04 0.00 -1.01 0.00 0.00 57.07 57.44 1iwa s TYR 98 Cb 0.04 -2.64 0.00 0.00 -0.11 0.00 0.00 41.96 39.25 1iwa s TYR 98 CO 0.10 0.18 -0.19 0.42 -1.11 0.00 0.00 175.55 174.95 1iwa s ILE 99 N 0.52 1.60 0.11 2.71 1.01 -0.70 -0.94 121.20 125.51 1iwa s ILE 99 Ca 0.30 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 60.22 1iwa s ILE 99 Cb -0.16 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1iwa s ILE 99 CO 0.14 0.46 -0.11 -1.59 0.00 0.00 0.00 174.94 173.83 1iwa s LYS 100 N 0.21 0.93 -0.18 2.79 -2.85 0.22 -0.31 119.74 120.56 1iwa s LYS 100 Ca -0.10 -1.23 -0.04 0.00 -1.00 0.00 0.00 55.97 53.60 1iwa s LYS 100 Cb -0.14 -0.65 -0.02 0.00 -2.06 0.00 0.00 37.83 34.96 1iwa s LYS 100 CO 0.04 0.11 -0.04 0.08 0.10 0.00 0.00 175.35 175.64 1iwa s VAL 101 N -2.52 3.70 -0.12 1.79 1.01 -0.00 -1.62 120.40 122.64 1iwa s VAL 101 Ca 0.08 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1iwa s VAL 101 Cb -0.02 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 1iwa s VAL 101 CO 0.01 0.46 -0.14 -0.69 0.00 0.00 0.00 175.10 174.73 1iwa s VAL 102 N 0.84 2.94 -0.28 2.92 1.01 0.04 -2.12 120.40 125.74 1iwa s VAL 102 Ca -0.01 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 1iwa s VAL 102 Cb -0.15 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.02 1iwa s VAL 102 CO 0.02 0.53 0.07 -0.83 0.00 0.00 0.00 175.10 174.88 1iwa s GLY 103 N 0.29 1.77 -0.17 4.51 0.00 -0.41 -0.51 107.32 112.79 1iwa s GLY 103 Ca -0.11 -1.41 -0.08 0.00 0.00 0.00 0.00 44.72 43.13 1iwa s GLY 103 CO 0.06 0.62 0.09 -0.12 0.00 0.00 0.00 173.10 173.75 1iwa s PHE 104 N 1.50 3.34 -0.14 1.90 5.36 0.92 -1.03 117.98 129.82 1iwa s PHE 104 Ca 0.03 0.22 -0.07 0.00 -0.96 0.00 0.00 56.93 56.15 1iwa s PHE 104 Cb -0.17 -2.06 -0.04 0.00 -0.34 0.00 0.00 43.02 40.41 1iwa s PHE 104 CO 0.02 0.29 0.09 0.45 -1.46 0.00 0.00 175.22 174.61 1iwa s SER 105 N 0.09 5.92 0.00 6.13 0.15 -0.68 -0.36 113.70 124.95 1iwa s SER 105 Ca 0.07 0.26 0.24 0.00 0.70 0.00 0.00 55.95 57.22 1iwa s SER 105 Cb -0.12 -1.92 0.34 0.00 -1.71 0.00 0.00 66.02 62.61 1iwa s SER 105 CO 0.00 0.30 1.35 -1.20 1.20 0.00 0.00 173.24 174.90 1iwa n SER 106 N 2.67 3.32 -4.69 5.45 7.64 -1.26 -2.73 113.62 124.01 1iwa n SER 106 Ca -0.18 -2.00 -0.43 0.00 1.01 0.00 0.00 58.87 57.27 1iwa n SER 106 Cb 0.53 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 1iwa n SER 106 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1iwa n VAL 107 N 1.46 0.24 -0.20 0.44 0.31 -1.26 -4.56 118.33 114.76 1iwa n VAL 107 Ca 0.17 -0.04 -0.01 0.00 -0.01 0.00 0.00 64.34 64.45 1iwa n VAL 107 Cb 0.61 -2.01 0.01 0.00 -0.91 0.00 0.00 33.84 31.54 1iwa n VAL 107 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1iwa n ARG 107 N 5.01 -0.14 0.00 5.55 0.63 -1.26 0.90 116.66 127.36 1iwa n ARG 107 Ca 0.18 0.78 0.16 0.00 -0.92 0.00 0.00 57.85 58.04 1iwa n ARG 107 Cb 0.35 -1.15 0.94 0.00 0.45 0.00 0.00 32.46 33.05 1iwa n ARG 107 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1iwa n GLY 107 N -1.22 -1.00 0.26 5.14 0.00 -1.26 -4.36 105.19 102.75 1iwa n GLY 107 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1iwa n GLY 107 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1iwa n ILE 108 N -1.00 0.00 -4.28 -0.61 -0.00 0.26 -4.99 119.36 108.75 1iwa n ILE 108 Ca 0.24 0.20 -0.32 0.00 -0.00 0.00 0.00 62.75 62.86 1iwa n ILE 108 Cb 0.11 -1.13 -0.07 0.00 -0.00 0.00 0.00 39.64 38.55 1iwa n ILE 108 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1iwa n GLU 109 N -2.09 -1.59 -3.87 0.38 1.02 -0.58 -4.89 120.64 109.02 1iwa n GLU 109 Ca 0.00 0.19 -0.10 0.00 -0.02 0.00 0.00 57.16 57.23 1iwa n GLU 109 Cb 0.00 -4.11 0.01 0.00 -0.02 0.00 0.00 31.44 27.32 1iwa n GLU 109 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1iwa s SER 110 N -4.09 0.20 0.31 1.62 0.15 -1.10 -4.99 113.70 105.80 1iwa s SER 110 Ca 0.21 -1.20 -0.29 0.00 0.70 0.00 0.00 55.95 55.37 1iwa s SER 110 Cb -0.12 0.81 -0.10 0.00 -1.71 0.00 0.00 66.02 64.89 1iwa s SER 110 CO 0.98 -1.59 1.24 -0.89 1.20 0.00 0.00 173.24 174.17 1iwa s THR 111 N -2.53 2.97 0.00 6.45 2.01 -1.26 -1.68 115.64 121.60 1iwa s THR 111 Ca 0.19 0.98 0.00 0.00 0.31 0.00 0.00 61.69 63.17 1iwa s THR 111 Cb -0.04 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.84 1iwa s THR 111 CO 0.13 0.23 0.64 2.30 -0.69 0.00 0.00 174.62 177.23 1iwa n ILE 112 N 0.95 0.40 -3.64 1.82 -5.35 -0.20 -4.89 119.36 108.44 1iwa n ILE 112 Ca -0.00 -0.57 -0.09 0.00 -0.27 0.00 0.00 62.75 61.83 1iwa n ILE 112 Cb 0.43 0.92 -0.07 0.00 -1.74 0.00 0.00 39.64 39.18 1iwa n ILE 112 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1iwa s ILE 113 N -0.40 0.00 -0.29 7.28 2.07 -1.23 -5.00 121.20 123.63 1iwa s ILE 113 Ca 0.00 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.23 1iwa s ILE 113 Cb 0.00 -1.00 0.18 0.00 0.13 0.00 0.00 42.46 41.77 1iwa s ILE 113 CO 0.00 0.00 0.57 -0.55 -1.91 0.00 0.00 174.94 173.05 1iwa s SER 114 N 0.19 -1.18 0.19 4.50 0.15 -1.26 -1.29 113.70 115.01 1iwa s SER 114 Ca 0.04 0.72 0.07 0.00 0.70 0.00 0.00 55.95 57.48 1iwa s SER 114 Cb -0.05 2.01 -0.05 0.00 -1.71 0.00 0.00 66.02 66.22 1iwa s SER 114 CO -0.07 -0.27 -0.13 0.72 1.20 0.00 0.00 173.24 174.69 1iwa s PHE 115 N 2.81 1.57 -0.09 3.44 -0.71 -0.90 0.16 117.98 124.26 1iwa s PHE 115 Ca 0.19 -0.64 -0.23 0.00 -1.04 0.00 0.00 56.93 55.21 1iwa s PHE 115 Cb -0.15 -0.76 -0.03 0.00 -1.21 0.00 0.00 43.02 40.87 1iwa s PHE 115 CO -0.21 0.26 0.68 0.42 -1.34 0.00 0.00 175.22 175.03 1iwa s ILE 116 N -3.09 5.05 -0.14 -4.49 -1.09 -1.26 -0.82 121.20 115.35 1iwa s ILE 116 Ca 0.21 1.38 0.18 0.00 -2.23 0.00 0.00 60.65 60.19 1iwa s ILE 116 Cb 0.01 -4.01 0.31 0.00 -1.58 0.00 0.00 42.46 37.18 1iwa s ILE 116 CO 0.05 0.23 1.16 1.33 -1.23 0.00 0.00 174.94 176.48 1iwa n VAL 117 N 3.93 1.93 0.00 2.92 0.24 0.58 -4.70 118.33 123.23 1iwa n VAL 117 Ca -0.01 -2.38 0.00 0.00 -2.04 0.00 0.00 64.34 59.90 1iwa n VAL 117 Cb 0.51 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 1iwa n VAL 117 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1iwa n ASN 118 N -1.39 0.00 -4.18 -1.34 2.85 -1.19 -4.90 115.26 105.12 1iwa n ASN 118 Ca 0.16 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.45 1iwa n ASN 118 Cb 0.65 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.55 1iwa n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1iwa s ARG 119 N 0.00 0.84 0.81 1.20 0.52 -1.26 -1.72 118.95 119.33 1iwa s ARG 119 Ca 0.00 -0.95 -0.10 0.00 -0.52 0.00 0.00 55.73 54.15 1iwa s ARG 119 Cb 0.00 -0.86 0.08 0.00 0.52 0.00 0.00 34.95 34.69 1iwa s ARG 119 CO 0.00 0.19 1.11 -1.25 0.02 0.00 0.00 175.30 175.37 1iwa s PRO 120 N -1.71 1.93 0.32 3.54 0.04 -1.26 -4.88 135.00 132.97 1iwa s PRO 120 Ca -0.01 1.28 0.02 0.00 0.04 0.00 0.00 61.00 62.32 1iwa s PRO 120 Cb -0.10 -1.85 0.59 0.00 0.04 0.00 0.00 34.50 33.18 1iwa s PRO 120 CO 0.02 -1.91 1.93 0.87 0.04 0.00 0.00 177.00 177.96 1iwa h LYS 121 N -1.31 0.92 -3.60 4.56 1.57 -1.90 -3.42 116.57 113.39 1iwa h LYS 121 Ca -0.43 -0.06 -0.32 0.00 -1.87 0.00 0.00 60.65 57.97 1iwa h LYS 121 Cb 1.24 -0.21 -0.34 0.00 0.08 0.00 0.00 32.23 33.00 1iwa h LYS 121 CO 0.49 0.61 -0.74 -1.58 -0.57 0.00 0.00 179.45 177.66 1iwa s HIS 122 N -5.83 0.14 -0.39 -1.35 5.04 -1.26 -5.12 115.29 106.52 1iwa s HIS 122 Ca -0.11 0.08 -0.04 0.00 -1.54 0.00 0.00 55.06 53.45 1iwa s HIS 122 Cb 0.19 -0.30 0.09 0.00 0.04 0.00 0.00 32.58 32.60 1iwa s HIS 122 CO 0.79 -0.10 0.17 -2.00 -2.34 0.00 0.00 174.74 171.26 1iwa s GLU 123 N 1.04 2.24 0.54 2.88 2.56 -1.26 -4.95 118.70 121.75 1iwa s GLU 123 Ca -0.09 -1.62 0.23 0.00 0.00 0.00 0.00 54.97 53.49 1iwa s GLU 123 Cb -0.13 -3.54 1.42 0.00 2.00 0.00 0.00 34.13 33.87 1iwa s GLU 123 CO -0.02 -0.95 2.08 -1.35 -0.56 0.00 0.00 175.26 174.46 1iwa h PRO 124 N 8.12 0.00 0.00 4.30 0.11 -2.00 -2.18 132.00 140.36 1iwa h PRO 124 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1iwa h PRO 124 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1iwa h PRO 124 CO 0.68 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.88 1iwa n GLY 125 N -1.55 -1.58 3.50 -0.55 0.00 -1.26 -4.73 105.19 99.02 1iwa n GLY 125 Ca 0.03 -1.91 -0.24 0.00 0.00 0.00 0.00 46.02 43.89 1iwa n GLY 125 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iwa s PHE 126 N 0.00 2.37 0.07 1.61 0.40 -1.26 -2.67 117.98 118.50 1iwa s PHE 126 Ca 0.00 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 1iwa s PHE 126 Cb 0.00 -1.06 -0.04 0.00 0.51 0.00 0.00 43.02 42.43 1iwa s PHE 126 CO 0.00 0.66 0.13 1.21 0.70 0.00 0.00 175.22 177.92 1iwa s ASN 127 N -3.37 5.86 -0.18 1.36 2.47 0.12 -4.89 114.94 116.30 1iwa s ASN 127 Ca 0.28 0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.67 1iwa s ASN 127 Cb -0.06 -1.68 0.04 0.00 -1.45 0.00 0.00 41.25 38.11 1iwa s ASN 127 CO 0.15 0.17 -0.08 -0.22 -3.72 0.00 0.00 177.10 173.40 1iwa s LEU 128 N -2.42 1.99 -0.12 3.21 2.96 -1.26 -1.95 118.68 121.08 1iwa s LEU 128 Ca 0.31 -0.79 -0.19 0.00 -0.22 0.00 0.00 54.13 53.24 1iwa s LEU 128 Cb -0.13 -1.09 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 1iwa s LEU 128 CO 0.24 -0.16 0.52 -0.04 -1.32 0.00 0.00 176.35 175.59 1iwa s MET 129 N 1.50 4.34 -0.50 1.98 -1.94 0.85 -4.95 119.30 120.58 1iwa s MET 129 Ca -0.00 0.51 -0.01 0.00 -1.71 0.00 0.00 55.69 54.48 1iwa s MET 129 Cb -0.16 -3.45 0.13 0.00 2.01 0.00 0.00 34.83 33.36 1iwa s MET 129 CO -0.08 0.10 0.29 1.03 -0.01 0.00 0.00 175.02 176.35 1iwa s ARG 130 N 0.78 2.16 -0.24 2.03 0.52 -1.26 -1.96 118.95 120.99 1iwa s ARG 130 Ca 0.28 -2.23 -0.20 0.00 -0.52 0.00 0.00 55.73 53.05 1iwa s ARG 130 Cb -0.16 -3.56 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 1iwa s ARG 130 CO 0.11 -1.10 0.60 -1.14 0.02 0.00 0.00 175.30 173.79 1iwa s GLN 131 N 0.41 4.14 -0.27 3.54 0.74 -0.89 -4.95 119.66 122.39 1iwa s GLN 131 Ca 0.13 0.52 -0.29 0.00 0.05 0.00 0.00 55.36 55.77 1iwa s GLN 131 Cb -0.22 -3.62 0.00 0.00 1.10 0.00 0.00 33.01 30.27 1iwa s GLN 131 CO -0.04 -0.33 1.18 -1.21 -0.55 0.00 0.00 175.29 174.34 1iwa s GLU 132 N 2.24 4.07 0.00 1.67 2.02 -1.26 -1.03 118.70 126.41 1iwa s GLU 132 Ca 0.26 1.28 0.00 0.00 0.02 0.00 0.00 54.97 56.53 1iwa s GLU 132 Cb -0.16 -3.78 0.00 0.00 0.10 0.00 0.00 34.13 30.30 1iwa s GLU 132 CO 0.09 -0.90 0.00 -3.47 0.02 0.00 0.00 175.26 171.00 1iwa n ASP 133 N 7.00 0.00 -4.74 -0.19 2.03 0.45 -4.96 116.55 116.14 1iwa n ASP 133 Ca 0.13 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.03 1iwa n ASP 133 Cb 0.46 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.83 1iwa n ASP 133 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1iwa s LYS 134 N 4.48 4.49 4.54 -0.67 1.02 -1.26 -4.70 119.74 127.65 1iwa s LYS 134 Ca 0.00 1.86 0.00 0.00 0.02 0.00 0.00 55.97 57.85 1iwa s LYS 134 Cb 0.00 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.06 1iwa s LYS 134 CO 0.00 -0.09 0.00 0.43 -0.92 0.00 0.00 175.35 174.77 1iwa n SER 135 N 2.57 0.00 -1.15 2.83 7.64 -1.26 -0.25 113.62 124.00 1iwa n SER 135 Ca 0.04 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.03 1iwa n SER 135 Cb 0.45 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.89 1iwa n SER 135 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1iwa n ARG 136 N 9.45 2.56 -2.42 1.43 5.12 -1.26 -5.00 116.66 126.54 1iwa n ARG 136 Ca 0.00 -2.37 -0.38 0.00 -1.93 0.00 0.00 57.85 53.18 1iwa n ARG 136 Cb 0.00 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.77 1iwa n ARG 136 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1iwa s SER 137 N -1.22 6.71 -0.07 0.55 0.01 0.65 -4.93 113.70 115.40 1iwa s SER 137 Ca 0.40 2.21 0.02 0.00 1.31 0.00 0.00 55.95 59.89 1iwa s SER 137 Cb 0.22 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.86 1iwa s SER 137 CO 0.30 -0.54 -0.14 -0.63 0.41 0.00 0.00 173.24 172.64 1iwa s ILE 138 N -1.48 1.29 -0.40 1.44 1.01 -1.26 -0.41 121.20 121.38 1iwa s ILE 138 Ca 0.56 -0.57 -0.18 0.00 0.00 0.00 0.00 60.65 60.46 1iwa s ILE 138 Cb -0.27 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.05 1iwa s ILE 138 CO 0.34 0.39 0.52 -0.54 0.00 0.00 0.00 174.94 175.65 1iwa s LYS 139 N 0.63 3.33 0.12 2.79 -0.14 -0.20 -4.92 119.74 121.36 1iwa s LYS 139 Ca -0.15 -0.45 -0.11 0.00 -1.36 0.00 0.00 55.97 53.90 1iwa s LYS 139 Cb -0.16 -3.91 -0.06 0.00 -1.68 0.00 0.00 37.83 32.02 1iwa s LYS 139 CO 0.04 -0.83 0.47 0.71 -0.76 0.00 0.00 175.35 174.99 1iwa s TYR 140 N 2.42 3.57 -0.07 3.18 1.51 -1.26 -2.08 117.35 124.61 1iwa s TYR 140 Ca 0.17 0.88 -0.00 0.00 -1.01 0.00 0.00 57.07 57.11 1iwa s TYR 140 Cb -0.16 -2.24 0.03 0.00 -0.11 0.00 0.00 41.96 39.48 1iwa s TYR 140 CO 0.15 0.45 -0.03 0.99 -1.11 0.00 0.00 175.55 176.00 1iwa s THR 141 N -1.49 0.57 -0.17 -0.71 2.01 -0.83 -4.97 115.64 110.06 1iwa s THR 141 Ca 0.37 -0.04 -0.07 0.00 0.31 0.00 0.00 61.69 62.26 1iwa s THR 141 Cb -0.14 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1iwa s THR 141 CO 0.19 0.28 0.06 -0.63 -0.69 0.00 0.00 174.62 173.83 1iwa s ILE 142 N 1.62 4.78 -0.08 1.82 1.01 -1.26 -0.10 121.20 128.99 1iwa s ILE 142 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.57 1iwa s ILE 142 Cb -0.13 -3.14 0.04 0.00 0.01 0.00 0.00 42.46 39.24 1iwa s ILE 142 CO -0.04 0.48 0.19 -2.28 0.00 0.00 0.00 174.94 173.29 1iwa s HIS 143 N 0.17 -0.23 0.35 3.97 2.46 -0.82 -4.98 115.29 116.21 1iwa s HIS 143 Ca 0.04 0.60 -0.27 0.00 0.47 0.00 0.00 55.06 55.90 1iwa s HIS 143 Cb -0.12 -0.00 -0.09 0.00 -0.13 0.00 0.00 32.58 32.23 1iwa s HIS 143 CO 0.01 -0.18 1.09 -1.54 -2.47 0.00 0.00 174.74 171.64 1iwa s SER 144 N 0.99 6.95 0.24 9.88 1.04 -1.26 0.11 113.70 131.65 1iwa s SER 144 Ca -0.07 2.18 -0.07 0.00 0.48 0.00 0.00 55.95 58.47 1iwa s SER 144 Cb -0.09 -2.61 0.25 0.00 0.10 0.00 0.00 66.02 63.67 1iwa s SER 144 CO -0.06 -0.37 1.91 1.88 0.98 0.00 0.00 173.24 177.59 1iwa h TYR 145 N 3.09 1.18 -0.20 5.02 -1.99 -1.85 -1.91 116.97 120.30 1iwa h TYR 145 Ca -0.48 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.26 1iwa h TYR 145 Cb 1.22 -0.40 -0.01 0.00 2.00 0.00 0.00 36.73 39.54 1iwa h TYR 145 CO 0.58 0.72 0.04 0.93 -0.00 0.00 0.00 178.16 180.43 1iwa h GLU 146 N 1.25 0.28 0.00 4.88 4.39 -1.92 -0.93 114.58 122.53 1iwa h GLU 146 Ca 0.35 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1iwa h GLU 146 Cb -0.11 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1iwa h GLU 146 CO -0.09 0.28 0.00 0.43 -1.16 0.00 0.00 179.01 178.47 1iwa n SER 147 N -4.41 0.00 0.09 1.42 7.64 -0.72 -1.35 113.62 116.29 1iwa n SER 147 Ca -0.00 0.17 0.13 0.00 1.01 0.00 0.00 58.87 60.18 1iwa n SER 147 Cb 0.15 -0.33 0.41 0.00 -1.01 0.00 0.00 64.21 63.43 1iwa n SER 147 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1iwa n TYR 148 N -1.33 0.77 -4.10 1.43 4.02 -0.35 -4.78 117.16 112.82 1iwa n TYR 148 Ca 0.06 0.22 -0.22 0.00 -0.01 0.00 0.00 57.90 57.95 1iwa n TYR 148 Cb 0.13 -0.85 -0.04 0.00 -0.02 0.00 0.00 39.34 38.55 1iwa n TYR 148 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1iwa s LYS 149 N -3.09 2.97 0.41 -0.72 1.02 -0.46 -5.09 119.74 114.78 1iwa s LYS 149 Ca 0.11 -1.01 -0.25 0.00 0.02 0.00 0.00 55.97 54.84 1iwa s LYS 149 Cb 0.13 -2.60 -0.08 0.00 -0.52 0.00 0.00 37.83 34.76 1iwa s LYS 149 CO 0.60 0.41 1.19 -1.25 -0.92 0.00 0.00 175.35 175.38 1iwa s PRO 150 N -3.76 3.99 0.14 -1.68 0.04 -1.26 -4.89 135.00 127.58 1iwa s PRO 150 Ca 0.33 1.87 -0.22 0.00 0.04 0.00 0.00 61.00 63.03 1iwa s PRO 150 Cb -0.08 -2.64 0.01 0.00 0.04 0.00 0.00 34.50 31.82 1iwa s PRO 150 CO 0.25 -0.38 1.22 0.39 0.04 0.00 0.00 177.00 178.51 1iwa n GLU 151 N -0.01 -0.30 0.00 4.56 1.02 -1.26 -0.54 120.64 124.11 1iwa n GLU 151 Ca 0.05 1.20 0.00 0.00 -0.02 0.00 0.00 57.16 58.38 1iwa n GLU 151 Cb 0.46 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1iwa n GLU 151 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1iwa n ASP 152 N -5.03 0.00 -0.44 1.62 5.75 -1.26 -1.38 116.55 115.81 1iwa n ASP 152 Ca 0.03 0.25 0.05 0.00 -0.01 0.00 0.00 54.79 55.11 1iwa n ASP 152 Cb 0.23 -0.25 0.12 0.00 -1.03 0.00 0.00 41.12 40.20 1iwa n ASP 152 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1iwa n GLU 153 N -1.25 2.77 -3.36 0.11 1.02 0.30 -5.04 120.64 115.19 1iwa n GLU 153 Ca 0.00 -2.06 -0.33 0.00 -0.02 0.00 0.00 57.16 54.75 1iwa n GLU 153 Cb 0.00 -1.30 -0.06 0.00 -0.02 0.00 0.00 31.44 30.07 1iwa n GLU 153 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1iwa s ARG 154 N -1.45 3.88 0.00 3.49 0.52 -0.48 -4.92 118.95 119.99 1iwa s ARG 154 Ca 0.20 0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.80 1iwa s ARG 154 Cb 0.13 -2.70 0.00 0.00 0.52 0.00 0.00 34.95 32.90 1iwa s ARG 154 CO 0.09 0.34 0.00 0.66 0.02 0.00 0.00 175.30 176.41