#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 3.01 0.07 3.17 3.52 -1.26 -4.44 118.95 123.01 1iwa s ARG 9 Ca 0.00 -0.84 -0.31 0.00 -0.13 0.00 0.00 55.73 54.45 1iwa s ARG 9 Cb 0.00 -2.80 -0.08 0.00 -1.56 0.00 0.00 34.95 30.51 1iwa s ARG 9 CO 0.00 -0.27 1.55 0.42 -0.81 0.00 0.00 175.30 176.18 1iwa s ILE 10 N 1.34 3.20 -0.36 4.11 -1.09 -1.26 -4.90 121.20 122.23 1iwa s ILE 10 Ca 0.03 0.69 0.07 0.00 -2.23 0.00 0.00 60.65 59.21 1iwa s ILE 10 Cb -0.15 -3.45 0.59 0.00 -1.58 0.00 0.00 42.46 37.88 1iwa s ILE 10 CO -0.08 0.01 1.69 0.35 -1.23 0.00 0.00 174.94 175.68 1iwa n THR 11 N 4.54 2.87 -1.65 2.92 -2.24 -1.26 -4.93 114.28 114.53 1iwa n THR 11 Ca 0.14 -2.31 -0.31 0.00 -2.27 0.00 0.00 64.05 59.30 1iwa n THR 11 Cb 0.41 -0.39 0.05 0.00 -2.10 0.00 0.00 70.33 68.30 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 -3.26 2.98 0.00 -0.78 -0.21 -1.26 -4.75 119.66 112.39 1iwa s GLN 12 Ca 0.51 0.85 0.00 0.00 0.02 0.00 0.00 55.36 56.74 1iwa s GLN 12 Cb 0.44 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 32.45 1iwa s GLN 12 CO 0.06 -1.04 0.00 0.41 -2.12 0.00 0.00 175.29 172.60 1iwa n GLY 13 N -2.22 1.89 0.26 3.09 0.00 -1.26 -4.44 105.19 102.50 1iwa n GLY 13 Ca 0.07 -1.68 0.13 0.00 0.00 0.00 0.00 46.02 44.53 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 0.54 0.00 2.61 2.02 -0.47 -3.29 112.91 114.32 1iwa h THR 14 Ca 0.00 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1iwa h THR 14 Cb 0.00 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1iwa h THR 14 CO 0.00 0.13 -0.33 0.49 0.37 0.00 0.00 175.52 176.18 1iwa n PHE 15 N -3.58 0.00 0.01 3.16 3.72 -1.26 -4.85 117.46 114.66 1iwa n PHE 15 Ca -0.01 -0.52 0.00 0.00 -0.05 0.00 0.00 57.45 56.87 1iwa n PHE 15 Cb 0.26 -0.11 0.01 0.00 -0.94 0.00 0.00 39.48 38.70 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 -0.62 0.00 -0.18 4.37 7.64 -1.24 -0.44 113.62 123.15 1iwa n SER 16 Ca 0.08 0.41 0.12 0.00 1.01 0.00 0.00 58.87 60.49 1iwa n SER 16 Cb 0.70 -0.41 0.18 0.00 -1.01 0.00 0.00 64.21 63.67 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 -1.41 0.00 -4.02 1.43 3.72 -1.26 -4.86 117.46 111.06 1iwa n PHE 17 Ca 0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 1iwa n PHE 17 Cb 0.00 -0.12 -0.03 0.00 -0.94 0.00 0.00 39.48 38.40 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 -2.73 4.14 0.70 4.37 1.43 0.41 -5.07 118.68 121.93 1iwa s LEU 18 Ca 0.17 -0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 1iwa s LEU 18 Cb 0.18 -2.69 -0.00 0.00 0.03 0.00 0.00 46.19 43.71 1iwa s LEU 18 CO 0.64 -0.03 1.01 -2.65 0.23 0.00 0.00 176.35 175.54 1iwa n PRO 19 N -1.14 0.61 -1.64 1.29 -0.02 -1.26 -4.83 135.00 128.01 1iwa n PRO 19 Ca -0.08 0.26 -0.49 0.00 -2.02 0.00 0.00 63.50 61.17 1iwa n PRO 19 Cb 0.57 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.62 2.49 -4.76 2.55 9.92 -1.26 -4.89 116.55 118.98 1iwa n ASP 20 Ca 0.13 1.09 -0.38 0.00 -0.53 0.00 0.00 54.79 55.11 1iwa n ASP 20 Cb 0.49 -1.31 0.02 0.00 -0.64 0.00 0.00 41.12 39.67 1iwa n ASP 20 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1iwa s LEU 21 N 1.07 3.91 0.29 0.64 1.43 -1.26 -5.03 118.68 119.74 1iwa s LEU 21 Ca 0.83 2.52 -0.10 0.00 -1.03 0.00 0.00 54.13 56.35 1iwa s LEU 21 Cb -0.81 -4.29 -0.07 0.00 0.03 0.00 0.00 46.19 41.05 1iwa s LEU 21 CO 0.44 -1.27 0.63 0.42 0.23 0.00 0.00 176.35 176.80 1iwa s THR 22 N -1.44 4.87 0.55 5.49 -4.23 -1.26 -4.85 115.64 114.77 1iwa s THR 22 Ca 0.68 0.52 0.36 0.00 -1.18 0.00 0.00 61.69 62.07 1iwa s THR 22 Cb -0.34 -3.66 0.54 0.00 1.34 0.00 0.00 72.50 70.38 1iwa s THR 22 CO 0.40 -0.23 1.78 0.44 -0.54 0.00 0.00 174.62 176.47 1iwa h ASP 23 N 2.07 0.00 0.70 3.99 5.19 -1.98 0.39 116.42 126.77 1iwa h ASP 23 Ca -0.47 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.90 1iwa h ASP 23 Cb 1.18 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.69 1iwa h ASP 23 CO 0.67 0.00 -0.33 -0.08 -3.12 0.00 0.00 179.24 176.37 1iwa h GLU 24 N 0.00 -0.90 -0.91 3.56 4.22 -1.99 -1.24 114.58 117.32 1iwa h GLU 24 Ca 0.54 0.06 0.08 0.00 0.08 0.00 0.00 59.36 60.12 1iwa h GLU 24 Cb 2.25 0.20 -0.07 0.00 0.50 0.00 0.00 28.75 31.63 1iwa h GLU 24 CO -0.01 -0.60 0.56 1.96 -2.18 0.00 0.00 179.01 178.74 1iwa h GLN 25 N -1.14 0.93 0.01 1.92 4.20 -0.74 -2.04 115.11 118.26 1iwa h GLN 25 Ca -0.10 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.57 1iwa h GLN 25 Cb 0.72 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1iwa h GLN 25 CO 0.16 0.62 -0.05 0.82 -0.67 0.00 0.00 178.83 179.71 1iwa h ILE 26 N 0.96 0.88 -1.00 2.54 2.04 -0.74 -1.01 117.51 121.18 1iwa h ILE 26 Ca 0.42 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.47 1iwa h ILE 26 Cb 0.30 0.88 -0.10 0.00 -0.74 0.00 0.00 36.82 37.15 1iwa h ILE 26 CO -0.22 0.00 0.61 0.50 0.00 0.00 0.00 178.15 179.05 1iwa h LYS 27 N -0.09 0.72 -0.64 2.37 3.11 -0.54 0.37 116.57 121.87 1iwa h LYS 27 Ca 0.02 -0.04 -0.08 0.00 -2.81 0.00 0.00 60.65 57.74 1iwa h LYS 27 Cb 0.11 -0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 31.15 1iwa h LYS 27 CO -0.04 0.48 0.10 0.87 -2.81 0.00 0.00 179.45 178.04 1iwa h LYS 28 N 0.74 1.05 -0.12 1.90 1.57 -0.74 -1.04 116.57 119.93 1iwa h LYS 28 Ca 0.57 -0.28 -0.09 0.00 -1.87 0.00 0.00 60.65 58.99 1iwa h LYS 28 Cb 0.92 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1iwa h LYS 28 CO -0.37 0.97 -0.32 1.96 -0.57 0.00 0.00 179.45 181.12 1iwa h GLN 29 N 0.99 0.23 0.00 3.15 1.08 0.83 -1.69 115.11 119.70 1iwa h GLN 29 Ca 0.20 -0.09 -0.10 0.00 -1.45 0.00 0.00 58.65 57.20 1iwa h GLN 29 Cb 0.43 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1iwa h GLN 29 CO 0.01 0.53 -0.49 0.82 -0.95 0.00 0.00 178.83 178.76 1iwa h ILE 30 N 0.21 1.31 -0.39 2.54 2.04 -0.09 -2.16 117.51 120.95 1iwa h ILE 30 Ca 0.03 -1.70 -0.14 0.00 1.00 0.00 0.00 64.86 64.05 1iwa h ILE 30 Cb 0.67 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 1iwa h ILE 30 CO 0.05 0.48 -0.28 0.44 0.00 0.00 0.00 178.15 178.84 1iwa h ASP 31 N 0.00 0.93 -0.64 1.72 3.32 -0.33 -1.86 116.42 119.56 1iwa h ASP 31 Ca -0.00 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 1iwa h ASP 31 Cb 0.89 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 1iwa h ASP 31 CO 0.06 1.17 0.39 0.22 -1.72 0.00 0.00 179.24 179.36 1iwa h TYR 32 N 0.70 0.84 -0.31 4.55 3.20 -1.08 -1.74 116.97 123.13 1iwa h TYR 32 Ca 0.08 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 1iwa h TYR 32 Cb 0.86 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1iwa h TYR 32 CO 0.06 0.57 -0.22 0.52 -1.64 0.00 0.00 178.16 177.44 1iwa h MET 33 N 0.87 0.58 -0.33 1.82 2.86 -1.31 -2.67 114.93 116.74 1iwa h MET 33 Ca 0.23 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 1iwa h MET 33 Cb -0.03 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1iwa h MET 33 CO -0.04 0.77 -0.12 0.82 1.06 0.00 0.00 176.91 179.40 1iwa h ILE 34 N 0.52 1.24 0.00 -1.22 2.04 -0.90 -1.72 117.51 117.46 1iwa h ILE 34 Ca 0.08 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1iwa h ILE 34 Cb 0.67 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1iwa h ILE 34 CO 0.05 0.35 0.00 -1.54 0.00 0.00 0.00 178.15 177.01 1iwa n SER 35 N -4.19 0.00 -0.82 1.72 3.41 -0.69 -2.89 113.62 110.15 1iwa n SER 35 Ca 0.01 0.44 0.04 0.00 -0.26 0.00 0.00 58.87 59.10 1iwa n SER 35 Cb 0.33 -0.47 0.22 0.00 -0.26 0.00 0.00 64.21 64.02 1iwa n SER 35 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1iwa n LYS 36 N -1.47 2.19 -4.25 4.33 5.02 -0.67 -4.97 118.16 118.34 1iwa n LYS 36 Ca 0.05 -2.94 -0.37 0.00 -2.02 0.00 0.00 58.31 53.03 1iwa n LYS 36 Cb 0.20 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.41 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 -0.92 -3.02 -3.34 1.97 4.01 -1.14 -4.91 118.16 110.81 1iwa n LYS 37 Ca 0.24 0.36 -0.35 0.00 -0.51 0.00 0.00 58.31 58.06 1iwa n LYS 37 Cb 0.89 -5.08 -0.06 0.00 -0.51 0.00 0.00 35.03 30.27 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 -7.27 4.30 0.00 -0.35 1.43 -1.04 -4.77 118.68 110.98 1iwa s LEU 38 Ca 0.76 1.08 -0.23 0.00 -1.03 0.00 0.00 54.13 54.71 1iwa s LEU 38 Cb -0.41 -3.40 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 1iwa s LEU 38 CO 0.93 0.05 0.68 0.00 0.23 0.00 0.00 176.35 178.25 1iwa s ALA 39 N -1.55 3.41 -0.09 4.21 0.00 0.06 -4.83 121.76 122.96 1iwa s ALA 39 Ca 0.41 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1iwa s ALA 39 Cb -0.14 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 1iwa s ALA 39 CO 0.20 0.08 -0.08 0.42 0.00 0.00 0.00 175.76 176.37 1iwa s ILE 40 N 0.04 3.54 0.09 0.00 1.01 0.29 -0.20 121.20 125.97 1iwa s ILE 40 Ca 0.35 -0.52 -0.00 0.00 0.00 0.00 0.00 60.65 60.47 1iwa s ILE 40 Cb -0.19 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1iwa s ILE 40 CO 0.19 0.57 -0.01 -0.83 0.00 0.00 0.00 174.94 174.87 1iwa s GLY 41 N -0.41 0.75 -0.07 6.18 0.00 -0.69 0.20 107.32 113.27 1iwa s GLY 41 Ca 0.06 -1.35 0.03 0.00 0.00 0.00 0.00 44.72 43.46 1iwa s GLY 41 CO 0.02 -1.38 -0.18 -0.42 0.00 0.00 0.00 173.10 171.15 1iwa s ILE 42 N -3.88 1.55 0.10 0.90 1.01 -1.26 -1.61 121.20 118.00 1iwa s ILE 42 Ca 0.15 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 60.10 1iwa s ILE 42 Cb 0.07 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1iwa s ILE 42 CO -0.04 0.45 -0.10 -1.61 0.00 0.00 0.00 174.94 173.64 1iwa s GLU 43 N 0.41 0.84 0.11 2.79 2.02 -0.87 -0.71 118.70 123.27 1iwa s GLU 43 Ca -0.14 -1.15 -0.15 0.00 0.02 0.00 0.00 54.97 53.55 1iwa s GLU 43 Cb -0.16 -0.51 0.03 0.00 0.10 0.00 0.00 34.13 33.59 1iwa s GLU 43 CO 0.05 0.08 0.35 1.52 0.02 0.00 0.00 175.26 177.28 1iwa s TYR 44 N -2.47 -0.13 0.02 1.61 -0.85 0.29 -1.00 117.35 114.82 1iwa s TYR 44 Ca 0.05 -0.18 -0.29 0.00 -0.52 0.00 0.00 57.07 56.13 1iwa s TYR 44 Cb -0.03 0.18 0.10 0.00 0.38 0.00 0.00 41.96 42.60 1iwa s TYR 44 CO -0.00 -0.65 1.06 0.95 -1.52 0.00 0.00 175.55 175.38 1iwa s THR 45 N -3.66 0.00 -0.21 -3.49 -4.23 -0.53 -0.30 115.64 103.22 1iwa s THR 45 Ca 0.02 -0.29 0.12 0.00 -1.18 0.00 0.00 61.69 60.36 1iwa s THR 45 Cb 0.02 -1.59 0.44 0.00 1.34 0.00 0.00 72.50 72.70 1iwa s THR 45 CO -0.11 0.00 1.20 -0.46 -0.54 0.00 0.00 174.62 174.71 1iwa n ASN 46 N -0.36 2.44 -3.41 3.99 0.23 -1.26 -0.78 115.26 116.11 1iwa n ASN 46 Ca -0.06 -3.56 -0.27 0.00 -0.53 0.00 0.00 54.58 50.16 1iwa n ASN 46 Cb 0.61 -0.45 -0.10 0.00 -2.08 0.00 0.00 39.78 37.76 1iwa n ASN 46 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1iwa n ASP 47 N -0.81 -0.16 -1.08 0.53 4.64 -1.26 -4.63 116.55 113.79 1iwa n ASP 47 Ca 0.23 -2.46 -0.02 0.00 -1.38 0.00 0.00 54.79 51.16 1iwa n ASP 47 Cb 0.82 -0.57 0.01 0.00 -1.04 0.00 0.00 41.12 40.34 1iwa n ASP 47 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 1iwa n ILE 48 N 2.65 1.14 -1.73 5.18 -6.64 -1.26 -4.84 119.36 113.85 1iwa n ILE 48 Ca 0.29 -0.13 -0.42 0.00 -1.77 0.00 0.00 62.75 60.72 1iwa n ILE 48 Cb 0.47 -0.96 -0.01 0.00 -1.44 0.00 0.00 39.64 37.70 1iwa n ILE 48 CO 0.00 0.00 0.00 1.57 -1.77 0.00 0.00 176.55 176.35 1iwa n HIS 49 N 0.39 2.72 0.32 4.28 -0.00 -1.26 -4.83 115.22 116.84 1iwa n HIS 49 Ca 0.04 0.33 0.21 0.00 0.46 0.00 0.00 57.72 58.76 1iwa n HIS 49 Cb 0.58 -2.55 1.06 0.00 -0.12 0.00 0.00 29.99 28.96 1iwa n HIS 49 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1iwa h PRO 50 N 4.27 0.00 -0.64 1.57 0.13 -1.97 -2.07 132.00 133.30 1iwa h PRO 50 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1iwa h PRO 50 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1iwa h PRO 50 CO 0.75 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.07 1iwa n ARG 51 N -3.10 3.72 -3.10 0.86 5.12 -1.26 -4.72 116.66 114.18 1iwa n ARG 51 Ca -0.02 -2.64 -0.45 0.00 -1.93 0.00 0.00 57.85 52.81 1iwa n ARG 51 Cb 0.14 -1.92 -0.01 0.00 -1.16 0.00 0.00 32.46 29.50 1iwa n ARG 51 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1iwa s ASN 64 N -0.81 6.93 0.46 0.55 2.47 -0.78 -4.86 114.94 118.90 1iwa s ASN 64 Ca 0.47 -2.78 0.31 0.00 0.42 0.00 0.00 52.86 51.28 1iwa s ASN 64 Cb 0.32 -2.32 1.28 0.00 -1.45 0.00 0.00 41.25 39.07 1iwa s ASN 64 CO 0.20 -0.71 1.91 0.00 -3.72 0.00 0.00 177.10 174.79 1iwa h ALA 65 N 7.68 1.00 -3.19 1.71 0.00 -1.87 -3.39 119.26 121.19 1iwa h ALA 65 Ca 0.20 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.45 1iwa h ALA 65 Cb 0.95 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.35 1iwa h ALA 65 CO 1.05 0.00 -0.49 0.71 0.00 0.00 0.00 179.25 180.52 1iwa s TYR 66 N -3.57 3.42 0.62 0.00 2.02 -1.26 -5.08 117.35 113.50 1iwa s TYR 66 Ca 0.02 -3.10 -0.14 0.00 -0.37 0.00 0.00 57.07 53.47 1iwa s TYR 66 Cb 0.09 -2.93 -0.03 0.00 -0.40 0.00 0.00 41.96 38.70 1iwa s TYR 66 CO 0.49 -0.71 1.05 -1.58 -1.57 0.00 0.00 175.55 173.23 1iwa s TRP 67 N -0.69 3.06 0.43 2.71 0.52 -1.26 -4.98 118.94 118.73 1iwa s TRP 67 Ca 0.20 1.48 -0.25 0.00 0.02 0.00 0.00 56.10 57.55 1iwa s TRP 67 Cb -0.17 -2.95 -0.08 0.00 -1.15 0.00 0.00 33.47 29.11 1iwa s TRP 67 CO -0.07 -1.09 1.35 -1.21 0.02 0.00 0.00 176.95 175.96 1iwa s GLU 68 N -4.35 3.81 -0.09 4.98 0.41 0.59 -4.72 118.70 119.34 1iwa s GLU 68 Ca 0.62 2.26 -0.08 0.00 -0.41 0.00 0.00 54.97 57.35 1iwa s GLU 68 Cb -0.15 -2.69 -0.04 0.00 -1.78 0.00 0.00 34.13 29.47 1iwa s GLU 68 CO 0.42 -0.66 0.20 0.96 -0.49 0.00 0.00 175.26 175.69 1iwa s ILE 69 N -1.25 5.40 -0.96 -1.63 -4.36 -1.26 -0.55 121.20 116.60 1iwa s ILE 69 Ca 0.59 0.33 -0.14 0.00 -0.26 0.00 0.00 60.65 61.17 1iwa s ILE 69 Cb -0.40 -3.47 0.20 0.00 1.25 0.00 0.00 42.46 40.04 1iwa s ILE 69 CO 0.52 0.60 1.01 0.86 0.24 0.00 0.00 174.94 178.17 1iwa s TRP 70 N -1.05 3.66 0.44 1.37 -0.11 0.11 -4.95 118.94 118.41 1iwa s TRP 70 Ca 0.17 -1.99 0.00 0.00 1.22 0.00 0.00 56.10 55.51 1iwa s TRP 70 Cb -0.13 -4.01 0.00 0.00 -1.50 0.00 0.00 33.47 27.83 1iwa s TRP 70 CO 0.07 -1.17 0.00 0.41 -4.62 0.00 0.00 176.95 171.64 1iwa n GLY 71 N 4.15 -2.42 3.59 5.86 0.00 -1.26 -4.56 105.19 110.55 1iwa n GLY 71 Ca 0.21 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 -7.21 1.74 0.74 0.99 1.02 -1.26 -4.81 118.68 109.89 1iwa s LEU 72 Ca 0.00 1.74 -0.12 0.00 0.02 0.00 0.00 54.13 55.77 1iwa s LEU 72 Cb 0.00 -3.89 0.04 0.00 0.02 0.00 0.00 46.19 42.36 1iwa s LEU 72 CO 0.00 -3.58 1.12 -2.16 0.02 0.00 0.00 176.35 171.74 1iwa s PRO 73 N -4.60 2.54 -0.23 1.29 0.04 -1.26 -4.87 135.00 127.91 1iwa s PRO 73 Ca 0.67 0.39 -0.17 0.00 0.04 0.00 0.00 61.00 61.93 1iwa s PRO 73 Cb -0.23 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1iwa s PRO 73 CO 0.61 -1.24 0.46 -0.51 0.04 0.00 0.00 177.00 176.36 1iwa s LEU 74 N -5.46 4.10 -0.13 -3.56 1.02 0.53 -4.89 118.68 110.28 1iwa s LEU 74 Ca 0.59 0.51 0.09 0.00 0.02 0.00 0.00 54.13 55.35 1iwa s LEU 74 Cb -0.11 -2.59 -0.23 0.00 0.02 0.00 0.00 46.19 43.27 1iwa s LEU 74 CO 0.51 -0.19 0.31 0.49 0.02 0.00 0.00 176.35 177.49 1iwa n PHE 75 N 5.07 0.62 -1.75 0.29 3.72 -1.26 -0.55 117.46 123.60 1iwa n PHE 75 Ca -0.06 0.19 0.01 0.00 -0.05 0.00 0.00 57.45 57.54 1iwa n PHE 75 Cb 0.50 -1.10 0.16 0.00 -0.94 0.00 0.00 39.48 38.10 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 -3.08 2.17 -4.54 4.37 8.00 -1.26 -4.72 116.55 117.49 1iwa n ASP 76 Ca -0.29 -3.71 -0.54 0.00 0.71 0.00 0.00 54.79 50.96 1iwa n ASP 76 Cb 1.07 -0.48 -0.06 0.00 -0.02 0.00 0.00 41.12 41.63 1iwa n ASP 76 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1iwa n VAL 77 N -0.93 0.21 0.00 2.53 0.31 -1.26 -4.84 118.33 114.35 1iwa n VAL 77 Ca 0.22 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 1iwa n VAL 77 Cb 0.77 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 1iwa n VAL 77 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1iwa n THR 78 N 1.83 0.00 -3.84 2.52 -1.04 -1.26 -4.90 114.28 107.60 1iwa n THR 78 Ca 0.19 -0.17 -0.30 0.00 -2.04 0.00 0.00 64.05 61.72 1iwa n THR 78 Cb 0.15 0.91 -0.15 0.00 -1.82 0.00 0.00 70.33 69.42 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 -0.43 4.28 0.51 8.00 2.15 -1.26 -4.99 116.67 124.93 1iwa s ASP 79 Ca 0.00 -1.89 0.36 0.00 0.43 0.00 0.00 52.55 51.44 1iwa s ASP 79 Cb 0.00 -1.15 1.50 0.00 -0.30 0.00 0.00 42.92 42.97 1iwa s ASP 79 CO 0.00 -0.39 1.73 1.55 -0.17 0.00 0.00 175.17 177.89 1iwa h PRO 80 N 7.83 0.07 -0.00 4.34 0.13 -1.92 0.56 132.00 143.01 1iwa h PRO 80 Ca -0.09 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1iwa h PRO 80 Cb 1.01 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1iwa h PRO 80 CO 0.49 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.31 1iwa h ALA 81 N 1.39 1.78 -0.36 -0.56 0.00 -1.95 0.78 119.26 120.34 1iwa h ALA 81 Ca 0.68 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.51 1iwa h ALA 81 Cb 2.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.25 1iwa h ALA 81 CO -0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 179.25 179.08 1iwa h ALA 82 N 2.00 0.49 0.11 0.00 0.00 -0.29 -2.30 119.26 119.26 1iwa h ALA 82 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1iwa h ALA 82 Cb 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1iwa h ALA 82 CO -0.00 0.31 -0.05 0.28 0.00 0.00 0.00 179.25 179.79 1iwa h VAL 83 N 0.46 1.08 -0.96 0.00 2.07 -1.19 -2.97 116.25 114.75 1iwa h VAL 83 Ca 0.09 -0.83 0.28 0.00 0.82 0.00 0.00 66.70 67.06 1iwa h VAL 83 Cb 0.55 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1iwa h VAL 83 CO 0.03 0.20 0.70 0.25 0.02 0.00 0.00 177.57 178.77 1iwa h LEU 84 N -0.54 0.00 0.81 2.57 7.12 -0.92 -1.06 115.31 123.29 1iwa h LEU 84 Ca -0.01 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.96 1iwa h LEU 84 Cb 0.44 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.57 1iwa h LEU 84 CO 0.02 0.00 -0.39 0.15 -0.13 0.00 0.00 178.44 178.09 1iwa h PHE 85 N 0.00 -1.01 -0.78 1.25 3.57 -1.25 -1.84 116.94 116.87 1iwa h PHE 85 Ca 0.45 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.98 1iwa h PHE 85 Cb 1.85 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 40.88 1iwa h PHE 85 CO 0.00 -0.62 0.51 0.93 -2.23 0.00 0.00 178.31 176.90 1iwa h GLU 86 N -1.25 0.88 -0.26 1.11 4.39 -1.25 0.35 114.58 118.55 1iwa h GLU 86 Ca -0.11 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.55 1iwa h GLU 86 Cb 0.85 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1iwa h GLU 86 CO 0.18 0.58 0.12 0.82 -1.16 0.00 0.00 179.01 179.56 1iwa h ILE 87 N 0.91 0.98 0.00 3.13 2.04 -1.18 0.63 117.51 124.03 1iwa h ILE 87 Ca 0.32 -0.09 -0.13 0.00 1.00 0.00 0.00 64.86 65.96 1iwa h ILE 87 Cb 0.14 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1iwa h ILE 87 CO -0.10 0.05 -0.61 0.78 0.00 0.00 0.00 178.15 178.27 1iwa h ASN 88 N 0.27 0.00 -0.25 1.72 4.21 -0.50 0.20 115.58 121.23 1iwa h ASN 88 Ca 0.11 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.58 1iwa h ASN 88 Cb 0.04 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.23 1iwa h ASN 88 CO -0.08 0.61 0.02 0.00 -1.29 0.00 0.00 177.43 176.68 1iwa h ALA 89 N 1.39 0.33 -0.48 -0.83 0.00 0.44 0.12 119.26 120.24 1iwa h ALA 89 Ca -0.01 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1iwa h ALA 89 Cb 1.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1iwa h ALA 89 CO 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 179.25 179.35 1iwa h ARG 91 N 0.71 0.57 -0.12 0.00 3.08 -0.34 0.36 114.38 118.64 1iwa h ARG 91 Ca 0.13 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 1iwa h ARG 91 Cb 0.54 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1iwa h ARG 91 CO 0.03 0.38 -0.16 -0.22 -1.07 0.00 0.00 179.97 178.93 1iwa h LYS 92 N 0.59 0.31 0.00 0.04 3.11 -0.10 -2.24 116.57 118.29 1iwa h LYS 92 Ca 0.31 -0.18 -0.08 0.00 -2.81 0.00 0.00 60.65 57.89 1iwa h LYS 92 Cb 0.43 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.66 1iwa h LYS 92 CO -0.10 0.75 -0.38 0.00 -2.81 0.00 0.00 179.45 176.90 1iwa h ALA 93 N 0.56 0.76 -2.11 5.00 0.00 -0.68 -3.36 119.26 119.44 1iwa h ALA 93 Ca 0.01 -0.35 -0.54 0.00 0.00 0.00 0.00 54.91 54.04 1iwa h ALA 93 Cb 0.71 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.03 1iwa h ALA 93 CO 0.04 0.48 -0.95 0.54 0.00 0.00 0.00 179.25 179.36 1iwa n ARG 94 N -3.21 1.81 -0.24 0.00 5.12 0.12 -4.94 116.66 115.32 1iwa n ARG 94 Ca 0.02 -3.96 -0.08 0.00 -1.93 0.00 0.00 57.85 51.91 1iwa n ARG 94 Cb 0.67 -1.86 0.04 0.00 -1.16 0.00 0.00 32.46 30.15 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 3.25 1.01 -1.23 0.55 4.64 -1.55 -3.05 113.55 117.17 1iwa h SER 95 Ca 0.12 -0.24 -0.70 0.00 -0.47 0.00 0.00 61.79 60.50 1iwa h SER 95 Cb 0.78 -0.27 -0.29 0.00 -0.31 0.00 0.00 62.40 62.31 1iwa h SER 95 CO 0.63 0.99 0.90 -0.46 -0.87 0.00 0.00 176.83 178.02 1iwa n ASN 96 N -4.28 7.64 -4.32 4.97 6.94 -1.26 -4.66 115.26 120.28 1iwa n ASN 96 Ca 0.04 -3.80 -0.19 0.00 -0.02 0.00 0.00 54.58 50.61 1iwa n ASN 96 Cb 0.26 -0.99 -0.10 0.00 -2.36 0.00 0.00 39.78 36.58 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 -3.88 1.66 -0.00 -2.53 0.40 -1.15 -4.74 117.98 107.74 1iwa s PHE 97 Ca 0.62 -0.56 -0.27 0.00 -0.60 0.00 0.00 56.93 56.13 1iwa s PHE 97 Cb 0.49 -0.80 -0.04 0.00 0.51 0.00 0.00 43.02 43.18 1iwa s PHE 97 CO -0.11 0.30 0.83 0.71 0.70 0.00 0.00 175.22 177.66 1iwa s TYR 98 N -2.63 3.67 -0.01 0.36 1.51 0.04 -4.27 117.35 116.01 1iwa s TYR 98 Ca 0.18 1.50 0.04 0.00 -1.01 0.00 0.00 57.07 57.79 1iwa s TYR 98 Cb -0.02 -2.93 -0.01 0.00 -0.11 0.00 0.00 41.96 38.88 1iwa s TYR 98 CO 0.06 0.11 -0.15 0.42 -1.11 0.00 0.00 175.55 174.89 1iwa s ILE 99 N 0.57 1.16 0.04 2.71 1.01 -0.63 -1.45 121.20 124.61 1iwa s ILE 99 Ca 0.43 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 1iwa s ILE 99 Cb -0.20 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 1iwa s ILE 99 CO 0.24 0.33 -0.02 -1.59 0.00 0.00 0.00 174.94 173.90 1iwa s LYS 100 N -0.31 0.51 -0.13 2.79 -2.85 -0.17 -0.66 119.74 118.93 1iwa s LYS 100 Ca 0.05 -0.99 -0.03 0.00 -1.00 0.00 0.00 55.97 54.01 1iwa s LYS 100 Cb -0.06 0.18 -0.03 0.00 -2.06 0.00 0.00 37.83 35.86 1iwa s LYS 100 CO -0.00 -0.09 -0.03 0.08 0.10 0.00 0.00 175.35 175.40 1iwa s VAL 101 N -3.03 4.01 -0.08 1.79 1.01 -0.06 -2.06 120.40 121.98 1iwa s VAL 101 Ca -0.01 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.68 1iwa s VAL 101 Cb 0.01 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 1iwa s VAL 101 CO -0.07 0.53 -0.22 -0.69 0.00 0.00 0.00 175.10 174.66 1iwa s VAL 102 N -0.12 1.88 -0.32 2.92 1.01 -0.63 -2.12 120.40 123.02 1iwa s VAL 102 Ca 0.03 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 1iwa s VAL 102 Cb -0.13 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.65 1iwa s VAL 102 CO 0.02 0.52 0.10 -0.83 0.00 0.00 0.00 175.10 174.91 1iwa s GLY 103 N 0.22 1.82 0.01 4.51 0.00 -0.42 -1.70 107.32 111.76 1iwa s GLY 103 Ca -0.13 -1.60 -0.06 0.00 0.00 0.00 0.00 44.72 42.94 1iwa s GLY 103 CO 0.06 0.71 0.25 -0.12 0.00 0.00 0.00 173.10 174.01 1iwa s PHE 104 N 1.46 3.57 -0.05 1.90 5.36 0.72 -0.77 117.98 130.17 1iwa s PHE 104 Ca 0.01 0.53 0.06 0.00 -0.96 0.00 0.00 56.93 56.56 1iwa s PHE 104 Cb -0.18 -1.96 -0.01 0.00 -0.34 0.00 0.00 43.02 40.53 1iwa s PHE 104 CO 0.03 0.62 -0.22 0.45 -1.46 0.00 0.00 175.22 174.63 1iwa s SER 105 N -1.76 2.74 -0.02 6.13 0.15 -0.87 -0.77 113.70 119.31 1iwa s SER 105 Ca 0.28 -0.45 0.17 0.00 0.70 0.00 0.00 55.95 56.64 1iwa s SER 105 Cb -0.13 -0.72 0.52 0.00 -1.71 0.00 0.00 66.02 63.97 1iwa s SER 105 CO 0.17 0.22 1.43 -1.20 1.20 0.00 0.00 173.24 175.06 1iwa n SER 106 N 2.98 3.65 -4.68 5.45 7.64 -1.26 -2.02 113.62 125.39 1iwa n SER 106 Ca -0.17 -2.10 -0.43 0.00 1.01 0.00 0.00 58.87 57.18 1iwa n SER 106 Cb 0.52 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 63.29 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 1.05 0.57 -0.12 0.44 0.31 -1.26 -4.58 118.33 114.74 1iwa n VAL 107 Ca 0.19 -0.10 0.01 0.00 -0.01 0.00 0.00 64.34 64.43 1iwa n VAL 107 Cb 0.59 -2.21 0.03 0.00 -0.91 0.00 0.00 33.84 31.35 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 6.60 -0.05 0.07 5.55 0.63 -1.26 0.68 116.66 128.88 1iwa n ARG 107 Ca 0.19 0.52 -0.04 0.00 -0.92 0.00 0.00 57.85 57.60 1iwa n ARG 107 Cb 0.39 -0.77 0.17 0.00 0.45 0.00 0.00 32.46 32.70 1iwa n ARG 107 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1iwa h GLY 107 N 0.00 0.32 0.00 5.14 0.00 -1.99 -3.39 103.07 103.15 1iwa h GLY 107 Ca 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1iwa h GLY 107 CO -0.34 0.30 0.00 1.39 0.00 0.00 0.00 176.54 177.89 1iwa n ILE 108 N -3.98 0.00 -4.12 2.60 -0.00 0.21 -4.98 119.36 109.09 1iwa n ILE 108 Ca -0.02 0.47 -0.29 0.00 -0.00 0.00 0.00 62.75 62.92 1iwa n ILE 108 Cb 0.52 -1.45 -0.05 0.00 -0.00 0.00 0.00 39.64 38.66 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 -2.20 -2.39 -3.85 0.38 1.02 -0.73 -4.92 120.64 107.95 1iwa n GLU 109 Ca 0.00 0.28 -0.08 0.00 -0.02 0.00 0.00 57.16 57.35 1iwa n GLU 109 Cb 0.00 -4.26 -0.00 0.00 -0.02 0.00 0.00 31.44 27.15 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 -4.24 -0.12 0.32 1.62 0.15 -0.85 -4.95 113.70 105.62 1iwa s SER 110 Ca 0.10 -0.85 -0.29 0.00 0.70 0.00 0.00 55.95 55.61 1iwa s SER 110 Cb -0.06 0.77 -0.11 0.00 -1.71 0.00 0.00 66.02 64.92 1iwa s SER 110 CO 0.94 -1.47 1.45 -0.89 1.20 0.00 0.00 173.24 174.46 1iwa s THR 111 N -3.28 2.35 0.00 6.45 2.01 -1.26 -2.06 115.64 119.86 1iwa s THR 111 Ca 0.14 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1iwa s THR 111 Cb -0.05 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.25 1iwa s THR 111 CO 0.09 0.07 0.75 2.30 -0.69 0.00 0.00 174.62 177.14 1iwa n ILE 112 N 1.27 0.55 -3.64 1.82 -5.35 0.05 -4.91 119.36 109.14 1iwa n ILE 112 Ca 0.03 -0.70 -0.06 0.00 -0.27 0.00 0.00 62.75 61.76 1iwa n ILE 112 Cb 0.40 0.78 -0.07 0.00 -1.74 0.00 0.00 39.64 39.01 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 -0.55 0.00 -0.25 7.28 2.07 -1.23 -4.98 121.20 123.54 1iwa s ILE 113 Ca 0.00 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.20 1iwa s ILE 113 Cb 0.00 -1.00 0.14 0.00 0.13 0.00 0.00 42.46 41.73 1iwa s ILE 113 CO 0.00 0.00 0.46 -0.55 -1.91 0.00 0.00 174.94 172.94 1iwa s SER 114 N 0.39 -0.33 0.11 4.50 0.15 -1.26 -1.30 113.70 115.97 1iwa s SER 114 Ca 0.02 0.63 0.05 0.00 0.70 0.00 0.00 55.95 57.35 1iwa s SER 114 Cb -0.05 1.49 -0.04 0.00 -1.71 0.00 0.00 66.02 65.71 1iwa s SER 114 CO -0.11 -0.27 -0.12 0.72 1.20 0.00 0.00 173.24 174.66 1iwa s PHE 115 N 2.66 1.24 0.14 3.44 -0.71 -0.90 0.33 117.98 124.16 1iwa s PHE 115 Ca 0.10 -0.61 -0.26 0.00 -1.04 0.00 0.00 56.93 55.12 1iwa s PHE 115 Cb -0.14 -0.66 -0.07 0.00 -1.21 0.00 0.00 43.02 40.94 1iwa s PHE 115 CO -0.17 0.08 0.81 0.42 -1.34 0.00 0.00 175.22 175.02 1iwa s ILE 116 N -2.36 4.45 -0.03 -4.49 -1.09 -1.26 -0.88 121.20 115.54 1iwa s ILE 116 Ca 0.08 1.77 0.04 0.00 -2.23 0.00 0.00 60.65 60.31 1iwa s ILE 116 Cb -0.03 -4.17 0.06 0.00 -1.58 0.00 0.00 42.46 36.73 1iwa s ILE 116 CO 0.02 0.46 0.92 1.33 -1.23 0.00 0.00 174.94 176.43 1iwa n VAL 117 N 2.04 0.87 -3.45 2.92 0.24 0.17 -4.72 118.33 116.39 1iwa n VAL 117 Ca -0.04 -0.95 0.02 0.00 -2.04 0.00 0.00 64.34 61.34 1iwa n VAL 117 Cb 0.49 0.46 -0.05 0.00 -1.47 0.00 0.00 33.84 33.26 1iwa n VAL 117 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1iwa s ASN 118 N -1.17 -0.14 0.10 -1.34 3.84 -1.16 -4.91 114.94 110.16 1iwa s ASN 118 Ca 0.07 0.21 0.09 0.00 0.21 0.00 0.00 52.86 53.43 1iwa s ASN 118 Cb 0.06 1.11 -0.03 0.00 -0.55 0.00 0.00 41.25 41.83 1iwa s ASN 118 CO 0.01 -0.03 -0.23 -0.13 -2.79 0.00 0.00 177.10 173.93 1iwa s ARG 119 N 1.55 1.29 0.75 0.43 0.52 -1.26 -1.61 118.95 120.62 1iwa s ARG 119 Ca -0.04 -1.17 -0.11 0.00 -0.52 0.00 0.00 55.73 53.89 1iwa s ARG 119 Cb -0.02 -1.58 0.04 0.00 0.52 0.00 0.00 34.95 33.91 1iwa s ARG 119 CO -0.13 0.38 1.08 -1.25 0.02 0.00 0.00 175.30 175.40 1iwa s PRO 120 N -1.77 2.48 0.21 3.54 0.04 -1.26 -4.85 135.00 133.38 1iwa s PRO 120 Ca 0.09 1.04 -0.13 0.00 0.04 0.00 0.00 61.00 62.03 1iwa s PRO 120 Cb -0.10 -1.93 0.24 0.00 0.04 0.00 0.00 34.50 32.75 1iwa s PRO 120 CO 0.04 -1.45 1.63 0.87 0.04 0.00 0.00 177.00 178.13 1iwa h LYS 121 N -0.98 -0.00 -4.69 4.56 1.57 -1.91 -3.41 116.57 111.71 1iwa h LYS 121 Ca -0.44 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 57.92 1iwa h LYS 121 Cb 1.23 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.24 1iwa h LYS 121 CO 0.54 -0.00 -0.79 -1.58 -0.57 0.00 0.00 179.45 177.05 1iwa s HIS 122 N -6.23 0.94 -0.32 -1.35 5.04 -1.26 -5.12 115.29 106.98 1iwa s HIS 122 Ca -0.14 -0.21 0.01 0.00 -1.54 0.00 0.00 55.06 53.17 1iwa s HIS 122 Cb 0.19 -0.65 0.08 0.00 0.04 0.00 0.00 32.58 32.24 1iwa s HIS 122 CO 0.74 -0.07 0.02 -2.00 -2.34 0.00 0.00 174.74 171.09 1iwa s GLU 123 N 0.04 2.04 0.35 2.88 2.56 -1.26 -4.94 118.70 120.36 1iwa s GLU 123 Ca -0.01 -1.56 0.06 0.00 0.00 0.00 0.00 54.97 53.47 1iwa s GLU 123 Cb -0.07 -3.19 0.72 0.00 2.00 0.00 0.00 34.13 33.60 1iwa s GLU 123 CO 0.00 -0.78 1.91 -1.35 -0.56 0.00 0.00 175.26 174.49 1iwa h PRO 124 N 7.84 0.77 0.00 4.30 0.11 -2.00 -2.40 132.00 140.62 1iwa h PRO 124 Ca -0.14 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1iwa h PRO 124 Cb 1.04 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1iwa h PRO 124 CO 0.54 0.51 0.00 0.41 -0.21 0.00 0.00 178.00 179.25 1iwa n GLY 125 N -1.43 -1.53 3.49 -0.55 0.00 -1.26 -4.71 105.19 99.21 1iwa n GLY 125 Ca 0.14 -2.01 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 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 2.34 0.06 1.61 0.40 -1.26 -2.28 117.98 118.86 1iwa s PHE 126 Ca 0.00 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.03 1iwa s PHE 126 Cb 0.00 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.46 1iwa s PHE 126 CO 0.00 0.70 0.08 1.21 0.70 0.00 0.00 175.22 177.91 1iwa s ASN 127 N -3.53 5.56 -0.16 1.36 2.47 0.99 -4.86 114.94 116.76 1iwa s ASN 127 Ca 0.30 0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.61 1iwa s ASN 127 Cb -0.05 -1.52 0.03 0.00 -1.45 0.00 0.00 41.25 38.27 1iwa s ASN 127 CO 0.16 0.19 -0.09 -0.22 -3.72 0.00 0.00 177.10 173.42 1iwa s LEU 128 N -2.25 1.70 -0.02 3.21 2.96 -1.26 -1.75 118.68 121.27 1iwa s LEU 128 Ca 0.28 -0.61 -0.16 0.00 -0.22 0.00 0.00 54.13 53.42 1iwa s LEU 128 Cb -0.12 -1.03 -0.05 0.00 0.50 0.00 0.00 46.19 45.48 1iwa s LEU 128 CO 0.20 -0.13 0.44 -0.04 -1.32 0.00 0.00 176.35 175.50 1iwa s MET 129 N 1.56 4.07 -0.47 1.98 -1.94 0.46 -4.96 119.30 120.00 1iwa s MET 129 Ca 0.02 0.46 0.04 0.00 -1.71 0.00 0.00 55.69 54.50 1iwa s MET 129 Cb -0.14 -3.28 0.12 0.00 2.01 0.00 0.00 34.83 33.54 1iwa s MET 129 CO -0.09 0.55 0.20 1.03 -0.01 0.00 0.00 175.02 176.70 1iwa s ARG 130 N -0.63 1.79 -0.19 2.03 0.52 -1.26 -2.67 118.95 118.53 1iwa s ARG 130 Ca 0.25 -2.37 -0.23 0.00 -0.52 0.00 0.00 55.73 52.85 1iwa s ARG 130 Cb -0.17 -3.21 -0.02 0.00 0.52 0.00 0.00 34.95 32.08 1iwa s ARG 130 CO 0.13 -1.07 0.74 -1.14 0.02 0.00 0.00 175.30 173.98 1iwa s GLN 131 N 0.08 4.24 -0.35 3.54 0.74 -0.83 -4.94 119.66 122.14 1iwa s GLN 131 Ca 0.15 0.82 -0.28 0.00 0.05 0.00 0.00 55.36 56.10 1iwa s GLN 131 Cb -0.24 -3.59 0.02 0.00 1.10 0.00 0.00 33.01 30.30 1iwa s GLN 131 CO -0.02 -0.32 1.05 -1.21 -0.55 0.00 0.00 175.29 174.24 1iwa s GLU 132 N 2.16 3.98 0.00 1.67 2.02 -1.26 -0.86 118.70 126.42 1iwa s GLU 132 Ca 0.33 0.91 0.00 0.00 0.02 0.00 0.00 54.97 56.23 1iwa s GLU 132 Cb -0.16 -3.77 0.00 0.00 0.10 0.00 0.00 34.13 30.30 1iwa s GLU 132 CO 0.11 -0.97 0.00 -3.47 0.02 0.00 0.00 175.26 170.94 1iwa n ASP 133 N 6.98 0.00 -4.78 -0.19 2.03 -0.64 -4.97 116.55 114.98 1iwa n ASP 133 Ca 0.11 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 55.05 1iwa n ASP 133 Cb 0.48 0.00 -0.04 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 3.94 4.22 0.40 -0.67 1.02 -1.26 -4.78 119.74 122.62 1iwa s LYS 134 Ca 0.00 1.51 0.00 0.00 0.02 0.00 0.00 55.97 57.50 1iwa s LYS 134 Cb 0.00 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 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 0.04 0.00 -0.64 2.83 7.64 -1.26 -0.10 113.62 122.14 1iwa n SER 135 Ca 0.04 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.06 1iwa n SER 135 Cb 0.49 0.00 0.36 0.00 -1.01 0.00 0.00 64.21 64.06 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 14.00 1.86 -1.97 1.43 5.12 -1.26 -4.96 116.66 130.88 1iwa n ARG 136 Ca 0.00 -1.28 -0.36 0.00 -1.93 0.00 0.00 57.85 54.27 1iwa n ARG 136 Cb 0.00 -1.47 0.04 0.00 -1.16 0.00 0.00 32.46 29.86 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 -2.02 5.21 -0.02 0.55 0.01 0.86 -4.93 113.70 113.35 1iwa s SER 137 Ca 0.34 2.46 0.02 0.00 1.31 0.00 0.00 55.95 60.08 1iwa s SER 137 Cb 0.21 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1iwa s SER 137 CO 0.33 -1.59 -0.07 -0.63 0.41 0.00 0.00 173.24 171.69 1iwa s ILE 138 N -1.52 0.65 -0.38 1.44 1.01 -1.26 -1.62 121.20 119.51 1iwa s ILE 138 Ca 0.76 -0.29 -0.14 0.00 0.00 0.00 0.00 60.65 60.98 1iwa s ILE 138 Cb -0.32 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.57 1iwa s ILE 138 CO 0.36 0.21 0.27 -0.54 0.00 0.00 0.00 174.94 175.24 1iwa s LYS 139 N 0.21 3.16 0.14 2.79 -0.14 -0.04 -4.94 119.74 120.91 1iwa s LYS 139 Ca -0.03 -0.88 -0.08 0.00 -1.36 0.00 0.00 55.97 53.62 1iwa s LYS 139 Cb -0.08 -3.89 -0.06 0.00 -1.68 0.00 0.00 37.83 32.13 1iwa s LYS 139 CO 0.00 -0.63 0.43 0.71 -0.76 0.00 0.00 175.35 175.10 1iwa s TYR 140 N 1.68 3.51 -0.03 3.18 1.51 -1.26 -1.96 117.35 123.98 1iwa s TYR 140 Ca 0.05 0.73 0.00 0.00 -1.01 0.00 0.00 57.07 56.85 1iwa s TYR 140 Cb -0.18 -2.13 0.03 0.00 -0.11 0.00 0.00 41.96 39.56 1iwa s TYR 140 CO 0.10 0.43 0.01 0.99 -1.11 0.00 0.00 175.55 175.96 1iwa s THR 141 N -1.58 0.17 -0.07 -0.71 2.01 -1.09 -4.98 115.64 109.39 1iwa s THR 141 Ca 0.39 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1iwa s THR 141 Cb -0.13 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 1iwa s THR 141 CO 0.21 0.16 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.61 1iwa s ILE 142 N 1.20 3.83 -0.20 1.82 1.01 -1.26 -0.41 121.20 127.19 1iwa s ILE 142 Ca -0.07 -0.45 -0.10 0.00 0.00 0.00 0.00 60.65 60.03 1iwa s ILE 142 Cb -0.13 -2.58 0.07 0.00 0.01 0.00 0.00 42.46 39.83 1iwa s ILE 142 CO -0.02 0.59 0.47 -2.28 0.00 0.00 0.00 174.94 173.70 1iwa s HIS 143 N -0.84 -0.77 0.31 3.97 2.46 -0.71 -4.97 115.29 114.74 1iwa s HIS 143 Ca 0.13 1.55 -0.29 0.00 0.47 0.00 0.00 55.06 56.92 1iwa s HIS 143 Cb -0.11 0.37 -0.10 0.00 -0.13 0.00 0.00 32.58 32.61 1iwa s HIS 143 CO 0.02 -0.43 1.34 -1.54 -2.47 0.00 0.00 174.74 171.67 1iwa s SER 144 N 1.85 6.72 0.50 9.88 1.04 -1.26 -0.01 113.70 132.42 1iwa s SER 144 Ca -0.07 2.70 0.15 0.00 0.48 0.00 0.00 55.95 59.20 1iwa s SER 144 Cb -0.09 -2.64 1.19 0.00 0.10 0.00 0.00 66.02 64.57 1iwa s SER 144 CO -0.14 -0.59 2.12 1.88 0.98 0.00 0.00 173.24 177.49 1iwa h TYR 145 N 3.73 0.07 0.00 5.02 -1.99 -1.79 -1.19 116.97 120.82 1iwa h TYR 145 Ca -0.48 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.17 1iwa h TYR 145 Cb 1.23 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.92 1iwa h TYR 145 CO 0.57 0.06 -0.39 0.93 -0.00 0.00 0.00 178.16 179.33 1iwa h GLU 146 N 0.07 0.00 0.00 4.88 4.39 -1.90 -2.44 114.58 119.59 1iwa h GLU 146 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1iwa h GLU 146 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1iwa h GLU 146 CO -0.00 0.39 0.00 0.43 -1.16 0.00 0.00 179.01 178.67 1iwa n SER 147 N -3.95 0.00 -0.06 1.42 7.64 -0.45 -1.81 113.62 116.41 1iwa n SER 147 Ca -0.02 -0.02 0.14 0.00 1.01 0.00 0.00 58.87 59.99 1iwa n SER 147 Cb 0.44 -0.27 0.67 0.00 -1.01 0.00 0.00 64.21 64.04 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 -1.27 0.00 -4.19 1.43 4.02 -0.92 -4.79 117.16 111.45 1iwa n TYR 148 Ca 0.09 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.72 1iwa n TYR 148 Cb 0.15 -0.23 -0.07 0.00 -0.02 0.00 0.00 39.34 39.16 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 -2.53 2.46 0.70 -0.72 1.02 -0.75 -5.09 119.74 114.84 1iwa s LYS 149 Ca 0.28 -1.07 -0.16 0.00 0.02 0.00 0.00 55.97 55.04 1iwa s LYS 149 Cb 0.20 -2.40 0.02 0.00 -0.52 0.00 0.00 37.83 35.13 1iwa s LYS 149 CO 0.47 0.46 1.26 -1.25 -0.92 0.00 0.00 175.35 175.38 1iwa s PRO 150 N -2.92 2.24 0.41 -1.68 0.04 -1.26 -4.84 135.00 126.98 1iwa s PRO 150 Ca 0.28 1.95 0.23 0.00 0.04 0.00 0.00 61.00 63.49 1iwa s PRO 150 Cb -0.09 -1.82 1.23 0.00 0.04 0.00 0.00 34.50 33.85 1iwa s PRO 150 CO 0.19 -1.81 1.71 1.49 0.04 0.00 0.00 177.00 178.62 1iwa h GLU 151 N 0.04 0.26 -0.23 4.56 4.81 -1.94 -1.12 114.58 120.97 1iwa h GLU 151 Ca -0.49 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1iwa h GLU 151 Cb 1.32 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1iwa h GLU 151 CO 0.51 0.17 0.00 -0.40 -0.73 0.00 0.00 179.01 178.56 1iwa n ASP 152 N -4.68 1.39 0.00 1.04 5.75 -1.26 -3.69 116.55 115.10 1iwa n ASP 152 Ca 0.30 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 1iwa n ASP 152 Cb 1.10 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 41.03 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 0.22 1.12 -2.94 0.11 1.02 -0.42 -5.05 120.64 114.69 1iwa n GLU 153 Ca 0.11 -0.99 -0.37 0.00 -0.02 0.00 0.00 57.16 55.89 1iwa n GLU 153 Cb 0.24 -0.96 -0.06 0.00 -0.02 0.00 0.00 31.44 30.63 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 -0.51 4.42 0.00 3.49 0.52 -1.23 -4.95 118.95 120.69 1iwa s ARG 154 Ca 0.00 1.10 0.00 0.00 -0.52 0.00 0.00 55.73 56.31 1iwa s ARG 154 Cb 0.00 -2.85 0.00 0.00 0.52 0.00 0.00 34.95 32.62 1iwa s ARG 154 CO 0.00 0.34 0.00 0.66 0.02 0.00 0.00 175.30 176.32