#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 2.95 -0.02 3.17 3.52 -1.26 -4.41 118.95 122.90 1iwa s ARG 9 Ca 0.00 -0.83 -0.30 0.00 -0.13 0.00 0.00 55.73 54.47 1iwa s ARG 9 Cb 0.00 -2.43 -0.05 0.00 -1.56 0.00 0.00 34.95 30.92 1iwa s ARG 9 CO 0.00 -0.06 1.35 0.42 -0.81 0.00 0.00 175.30 176.20 1iwa s ILE 10 N 0.94 3.87 -0.39 4.11 -1.09 -1.26 -4.93 121.20 122.45 1iwa s ILE 10 Ca -0.04 1.23 0.06 0.00 -2.23 0.00 0.00 60.65 59.66 1iwa s ILE 10 Cb -0.15 -3.79 0.55 0.00 -1.58 0.00 0.00 42.46 37.49 1iwa s ILE 10 CO -0.04 -0.01 1.66 0.35 -1.23 0.00 0.00 174.94 175.67 1iwa n THR 11 N 4.70 2.91 -1.80 2.92 -2.24 -1.26 -4.92 114.28 114.59 1iwa n THR 11 Ca 0.13 -2.66 -0.29 0.00 -2.27 0.00 0.00 64.05 58.95 1iwa n THR 11 Cb 0.44 -0.55 0.08 0.00 -2.10 0.00 0.00 70.33 68.20 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 -3.38 2.20 0.00 -0.78 -0.21 -1.26 -4.80 119.66 111.43 1iwa s GLN 12 Ca 0.52 0.33 0.00 0.00 0.02 0.00 0.00 55.36 56.23 1iwa s GLN 12 Cb 0.44 -1.96 0.00 0.00 1.00 0.00 0.00 33.01 32.50 1iwa s GLN 12 CO 0.03 -1.48 0.00 0.41 -2.12 0.00 0.00 175.29 172.14 1iwa n GLY 13 N -2.89 0.42 0.23 3.09 0.00 -1.26 -4.43 105.19 100.35 1iwa n GLY 13 Ca 0.07 -1.56 0.09 0.00 0.00 0.00 0.00 46.02 44.62 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 0.74 0.00 2.61 2.02 -1.42 -3.32 112.91 113.55 1iwa h THR 14 Ca 0.00 -0.94 -0.05 0.00 0.77 0.00 0.00 66.41 66.19 1iwa h THR 14 Cb 0.00 1.58 -0.11 0.00 -1.74 0.00 0.00 68.15 67.88 1iwa h THR 14 CO 0.00 0.22 -0.56 0.49 0.37 0.00 0.00 175.52 176.04 1iwa n PHE 15 N -3.66 0.00 0.79 3.16 3.72 -1.26 -4.83 117.46 115.38 1iwa n PHE 15 Ca -0.01 -0.85 0.08 0.00 -0.05 0.00 0.00 57.45 56.61 1iwa n PHE 15 Cb 0.35 -0.17 0.41 0.00 -0.94 0.00 0.00 39.48 39.13 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 -0.52 0.00 0.02 4.37 7.64 -1.25 -1.62 113.62 122.26 1iwa n SER 16 Ca 0.11 -0.08 0.11 0.00 1.01 0.00 0.00 58.87 60.03 1iwa n SER 16 Cb 0.82 -0.21 0.05 0.00 -1.01 0.00 0.00 64.21 63.86 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 -1.21 0.18 -2.75 1.43 3.72 -1.26 -4.85 117.46 112.73 1iwa n PHE 17 Ca 0.08 0.05 -0.20 0.00 -0.05 0.00 0.00 57.45 57.34 1iwa n PHE 17 Cb 0.10 -0.35 0.03 0.00 -0.94 0.00 0.00 39.48 38.33 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 -3.62 3.38 0.70 4.37 1.43 -0.64 -5.07 118.68 119.23 1iwa s LEU 18 Ca 0.06 -0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 52.87 1iwa s LEU 18 Cb 0.15 -2.80 0.02 0.00 0.03 0.00 0.00 46.19 43.60 1iwa s LEU 18 CO 0.79 -1.04 1.16 -2.84 0.23 0.00 0.00 176.35 174.65 1iwa s PRO 19 N -4.65 2.41 0.02 1.29 0.02 -1.26 -4.89 135.00 127.95 1iwa s PRO 19 Ca 0.57 1.58 -0.36 0.00 0.02 0.00 0.00 61.00 62.80 1iwa s PRO 19 Cb -0.10 -1.89 -0.15 0.00 0.02 0.00 0.00 34.50 32.38 1iwa s PRO 19 CO 0.37 -1.58 1.57 -0.25 -0.33 0.00 0.00 177.00 176.78 1iwa n ASP 20 N -2.63 2.52 -4.77 2.53 10.43 -1.26 -4.87 116.55 118.51 1iwa n ASP 20 Ca 0.12 1.08 -0.40 0.00 2.57 0.00 0.00 54.79 58.15 1iwa n ASP 20 Cb 0.51 -1.29 0.00 0.00 1.84 0.00 0.00 41.12 42.19 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 1.75 4.22 0.63 0.64 1.43 -1.26 -5.03 118.68 121.06 1iwa s LEU 21 Ca 0.86 2.83 -0.07 0.00 -1.03 0.00 0.00 54.13 56.72 1iwa s LEU 21 Cb -0.84 -3.84 0.02 0.00 0.03 0.00 0.00 46.19 41.55 1iwa s LEU 21 CO 0.48 -0.93 0.96 0.42 0.23 0.00 0.00 176.35 177.50 1iwa s THR 22 N -1.20 3.31 0.39 5.49 -4.23 -1.26 -4.86 115.64 113.28 1iwa s THR 22 Ca 0.57 0.01 0.07 0.00 -1.18 0.00 0.00 61.69 61.16 1iwa s THR 22 Cb -0.42 -3.35 0.22 0.00 1.34 0.00 0.00 72.50 70.29 1iwa s THR 22 CO 0.55 -0.38 1.99 0.44 -0.54 0.00 0.00 174.62 176.67 1iwa h ASP 23 N -0.35 0.39 -0.50 3.99 5.19 -1.99 -0.91 116.42 122.25 1iwa h ASP 23 Ca -0.45 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 55.89 1iwa h ASP 23 Cb 1.27 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 1iwa h ASP 23 CO 0.61 0.38 0.19 -0.08 -3.12 0.00 0.00 179.24 177.23 1iwa h GLU 24 N 0.44 0.75 -0.30 3.56 4.22 -1.98 0.55 114.58 121.81 1iwa h GLU 24 Ca 0.11 -0.14 -0.03 0.00 0.08 0.00 0.00 59.36 59.38 1iwa h GLU 24 Cb 0.13 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1iwa h GLU 24 CO -0.01 0.67 0.08 1.96 -2.18 0.00 0.00 179.01 179.54 1iwa h GLN 25 N 0.67 0.47 -0.81 1.92 4.20 -1.74 -1.46 115.11 118.36 1iwa h GLN 25 Ca 0.17 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.79 1iwa h GLN 25 Cb 0.21 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 1iwa h GLN 25 CO -0.01 0.54 0.52 0.82 -0.67 0.00 0.00 178.83 180.02 1iwa h ILE 26 N 0.32 1.14 -0.97 2.54 2.04 -1.03 -1.13 117.51 120.41 1iwa h ILE 26 Ca 0.09 -0.35 0.10 0.00 1.00 0.00 0.00 64.86 65.70 1iwa h ILE 26 Cb 0.27 0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 36.31 1iwa h ILE 26 CO -0.00 0.19 0.60 0.50 0.00 0.00 0.00 178.15 179.44 1iwa h LYS 27 N 1.02 0.99 -0.01 2.37 3.11 -0.46 -0.92 116.57 122.66 1iwa h LYS 27 Ca 0.32 -0.06 -0.14 0.00 -2.81 0.00 0.00 60.65 57.96 1iwa h LYS 27 Cb -0.02 -0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 30.97 1iwa h LYS 27 CO -0.10 0.65 -0.65 0.87 -2.81 0.00 0.00 179.45 177.41 1iwa h LYS 28 N 1.02 0.04 -0.10 1.90 1.57 -0.18 -2.62 116.57 118.19 1iwa h LYS 28 Ca 0.46 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 59.11 1iwa h LYS 28 Cb 0.35 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1iwa h LYS 28 CO -0.23 0.68 -0.34 1.96 -0.57 0.00 0.00 179.45 180.95 1iwa h GLN 29 N 0.03 0.20 -0.30 3.15 1.08 -0.19 -2.43 115.11 116.65 1iwa h GLN 29 Ca -0.01 -0.08 -0.16 0.00 -1.45 0.00 0.00 58.65 56.95 1iwa h GLN 29 Cb 1.16 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 1iwa h GLN 29 CO 0.09 0.52 -0.44 0.82 -0.95 0.00 0.00 178.83 178.87 1iwa h ILE 30 N 0.18 1.29 -0.73 2.54 2.04 -0.93 -1.74 117.51 120.15 1iwa h ILE 30 Ca 0.02 -1.63 0.03 0.00 1.00 0.00 0.00 64.86 64.28 1iwa h ILE 30 Cb 0.69 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 1iwa h ILE 30 CO 0.05 0.53 0.47 0.44 0.00 0.00 0.00 178.15 179.64 1iwa h ASP 31 N 0.62 0.78 0.51 1.72 3.32 -1.10 0.97 116.42 123.22 1iwa h ASP 31 Ca 0.04 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1iwa h ASP 31 Cb 1.01 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 1iwa h ASP 31 CO 0.10 0.54 -0.44 0.22 -1.72 0.00 0.00 179.24 177.94 1iwa h TYR 32 N 0.92 -1.19 -0.96 4.55 3.20 -1.18 0.28 116.97 122.60 1iwa h TYR 32 Ca 0.29 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.33 1iwa h TYR 32 Cb -0.01 0.45 -0.10 0.00 1.54 0.00 0.00 36.73 38.62 1iwa h TYR 32 CO -0.03 -0.61 0.56 0.52 -1.64 0.00 0.00 178.16 176.96 1iwa h MET 33 N -0.94 0.74 -0.33 1.82 2.86 -0.93 0.23 114.93 118.38 1iwa h MET 33 Ca -0.06 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1iwa h MET 33 Cb 0.81 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1iwa h MET 33 CO -0.02 0.49 0.12 0.82 1.06 0.00 0.00 176.91 179.38 1iwa h ILE 34 N 0.77 1.20 -0.17 -1.22 2.04 -0.17 -1.80 117.51 118.15 1iwa h ILE 34 Ca 0.53 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1iwa h ILE 34 Cb 0.75 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1iwa h ILE 34 CO -0.35 0.21 0.14 0.77 0.00 0.00 0.00 178.15 178.92 1iwa h SER 35 N 0.39 0.00 -0.72 1.72 4.64 0.16 -0.14 113.55 119.60 1iwa h SER 35 Ca 0.11 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.17 1iwa h SER 35 Cb 0.22 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.15 1iwa h SER 35 CO -0.01 0.00 0.30 0.29 -0.87 0.00 0.00 176.83 176.54 1iwa n LYS 36 N -4.23 3.23 -4.24 4.77 5.02 -0.67 -4.96 118.16 117.07 1iwa n LYS 36 Ca 0.01 -3.07 -0.34 0.00 -2.02 0.00 0.00 58.31 52.89 1iwa n LYS 36 Cb 0.27 -2.15 -0.07 0.00 -0.02 0.00 0.00 35.03 33.06 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 -0.46 -0.94 -3.79 1.97 4.01 -0.06 -4.94 118.16 113.95 1iwa n LYS 37 Ca 0.43 0.11 -0.32 0.00 -0.51 0.00 0.00 58.31 58.01 1iwa n LYS 37 Cb 1.38 -3.42 -0.05 0.00 -0.51 0.00 0.00 35.03 32.44 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 -7.38 4.33 -0.02 -0.35 1.43 -0.72 -4.81 118.68 111.16 1iwa s LEU 38 Ca 0.11 0.47 -0.28 0.00 -1.03 0.00 0.00 54.13 53.39 1iwa s LEU 38 Cb -0.06 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.16 1iwa s LEU 38 CO 0.99 0.16 0.90 0.00 0.23 0.00 0.00 176.35 178.63 1iwa s ALA 39 N -1.49 3.21 -0.15 4.21 0.00 -0.33 -4.80 121.76 122.41 1iwa s ALA 39 Ca 0.34 0.42 -0.07 0.00 0.00 0.00 0.00 51.96 52.66 1iwa s ALA 39 Cb -0.13 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1iwa s ALA 39 CO 0.23 -0.20 0.08 0.42 0.00 0.00 0.00 175.76 176.28 1iwa s ILE 40 N 0.97 4.94 0.09 0.00 1.01 0.54 -0.32 121.20 128.43 1iwa s ILE 40 Ca 0.48 0.01 0.04 0.00 0.00 0.00 0.00 60.65 61.18 1iwa s ILE 40 Cb -0.20 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 1iwa s ILE 40 CO 0.25 0.52 -0.10 -0.83 0.00 0.00 0.00 174.94 174.78 1iwa s GLY 41 N -0.18 0.80 -0.09 6.18 0.00 0.22 0.34 107.32 114.60 1iwa s GLY 41 Ca 0.08 -1.11 0.04 0.00 0.00 0.00 0.00 44.72 43.73 1iwa s GLY 41 CO 0.01 -1.17 -0.23 -0.42 0.00 0.00 0.00 173.10 171.28 1iwa s ILE 42 N -2.16 2.16 0.07 0.90 1.01 -1.26 -0.48 121.20 121.43 1iwa s ILE 42 Ca 0.02 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.68 1iwa s ILE 42 Cb -0.05 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 1iwa s ILE 42 CO 0.00 0.56 -0.05 -1.61 0.00 0.00 0.00 174.94 173.84 1iwa s GLU 43 N 0.15 0.68 0.03 2.79 2.02 -0.43 -1.37 118.70 122.56 1iwa s GLU 43 Ca -0.12 -1.18 -0.22 0.00 0.02 0.00 0.00 54.97 53.46 1iwa s GLU 43 Cb -0.16 -0.02 0.05 0.00 0.10 0.00 0.00 34.13 34.10 1iwa s GLU 43 CO 0.07 -0.05 0.50 1.52 0.02 0.00 0.00 175.26 177.32 1iwa s TYR 44 N -3.38 -0.41 0.21 1.61 -0.85 0.16 -1.05 117.35 113.64 1iwa s TYR 44 Ca 0.06 0.50 -0.23 0.00 -0.52 0.00 0.00 57.07 56.88 1iwa s TYR 44 Cb 0.04 0.31 0.04 0.00 0.38 0.00 0.00 41.96 42.73 1iwa s TYR 44 CO -0.06 -0.60 0.83 0.95 -1.52 0.00 0.00 175.55 175.15 1iwa s THR 45 N -2.15 0.00 -0.12 -3.49 -4.23 -0.87 0.57 115.64 105.34 1iwa s THR 45 Ca -0.07 -0.80 0.14 0.00 -1.18 0.00 0.00 61.69 59.79 1iwa s THR 45 Cb -0.01 -1.95 0.30 0.00 1.34 0.00 0.00 72.50 72.18 1iwa s THR 45 CO 0.00 0.00 1.15 -0.46 -0.54 0.00 0.00 174.62 174.77 1iwa n ASN 46 N -0.46 1.60 -3.62 3.99 6.94 -1.26 -0.75 115.26 121.69 1iwa n ASN 46 Ca -0.05 -3.03 -0.28 0.00 -0.02 0.00 0.00 54.58 51.20 1iwa n ASN 46 Cb 0.60 -0.41 -0.12 0.00 -2.36 0.00 0.00 39.78 37.50 1iwa n ASN 46 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1iwa s ASP 47 N -2.57 3.11 -0.08 0.53 3.68 -1.26 -4.64 116.67 115.45 1iwa s ASP 47 Ca 0.29 -2.96 0.00 0.00 2.13 0.00 0.00 52.55 52.01 1iwa s ASP 47 Cb 0.28 -0.90 0.08 0.00 -1.45 0.00 0.00 42.92 40.93 1iwa s ASP 47 CO -0.03 -0.20 1.48 2.30 0.13 0.00 0.00 175.17 178.85 1iwa n ILE 48 N 3.06 1.68 -1.83 4.11 -6.64 -1.26 -4.85 119.36 113.63 1iwa n ILE 48 Ca 0.18 -0.50 -0.42 0.00 -1.77 0.00 0.00 62.75 60.24 1iwa n ILE 48 Cb 0.39 -1.14 -0.03 0.00 -1.44 0.00 0.00 39.64 37.42 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 -0.49 2.88 0.13 4.28 2.46 -1.26 -4.83 115.29 118.45 1iwa s HIS 49 Ca 0.08 0.44 0.24 0.00 0.47 0.00 0.00 55.06 56.29 1iwa s HIS 49 Cb 0.07 -4.04 1.31 0.00 -0.13 0.00 0.00 32.58 29.79 1iwa s HIS 49 CO 0.01 -3.94 1.71 -1.00 -2.47 0.00 0.00 174.74 169.05 1iwa h PRO 50 N 7.06 0.00 -0.68 2.88 0.13 -1.96 0.15 132.00 139.58 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 0.94 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.25 1iwa n ARG 51 N -2.42 3.03 -2.66 0.86 5.12 -1.26 -4.70 116.66 114.62 1iwa n ARG 51 Ca -0.02 -2.59 -0.43 0.00 -1.93 0.00 0.00 57.85 52.88 1iwa n ARG 51 Cb 0.18 -1.68 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 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 1.34 5.11 0.27 0.55 5.15 0.04 -4.82 115.26 122.90 1iwa n ASN 64 Ca 0.24 -3.02 0.18 0.00 -0.60 0.00 0.00 54.58 51.38 1iwa n ASN 64 Cb 0.70 -1.55 0.90 0.00 -0.53 0.00 0.00 39.78 39.30 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 6.63 1.00 -3.16 5.20 0.00 -1.86 -3.37 119.26 123.71 1iwa h ALA 65 Ca 0.36 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.63 1iwa h ALA 65 Cb 0.78 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.17 1iwa h ALA 65 CO 1.42 0.00 -0.51 0.71 0.00 0.00 0.00 179.25 180.87 1iwa s TYR 66 N -3.83 3.47 0.85 0.00 2.02 -1.26 -5.08 117.35 113.51 1iwa s TYR 66 Ca -0.02 -3.19 -0.11 0.00 -0.37 0.00 0.00 57.07 53.38 1iwa s TYR 66 Cb 0.10 -2.87 0.10 0.00 -0.40 0.00 0.00 41.96 38.90 1iwa s TYR 66 CO 0.39 -0.66 1.09 -1.58 -1.57 0.00 0.00 175.55 173.22 1iwa s TRP 67 N -0.93 2.37 0.12 2.71 0.52 -1.26 -4.94 118.94 117.53 1iwa s TRP 67 Ca 0.22 1.42 -0.31 0.00 0.02 0.00 0.00 56.10 57.45 1iwa s TRP 67 Cb -0.13 -3.12 -0.08 0.00 -1.15 0.00 0.00 33.47 28.99 1iwa s TRP 67 CO -0.09 -2.18 1.35 -1.21 0.02 0.00 0.00 176.95 174.83 1iwa s GLU 68 N -4.89 4.35 0.30 4.98 0.41 0.19 -4.72 118.70 119.31 1iwa s GLU 68 Ca 0.63 2.03 -0.27 0.00 -0.41 0.00 0.00 54.97 56.95 1iwa s GLU 68 Cb -0.18 -3.25 -0.10 0.00 -1.78 0.00 0.00 34.13 28.82 1iwa s GLU 68 CO 0.57 -0.38 0.93 0.42 -0.49 0.00 0.00 175.26 176.31 1iwa s ILE 69 N 0.94 4.19 -0.66 -1.63 1.01 -1.26 0.38 121.20 124.16 1iwa s ILE 69 Ca 0.62 1.88 -0.07 0.00 0.00 0.00 0.00 60.65 63.08 1iwa s ILE 69 Cb -0.36 -4.09 0.17 0.00 0.01 0.00 0.00 42.46 38.19 1iwa s ILE 69 CO 0.31 0.24 0.52 0.86 0.00 0.00 0.00 174.94 176.87 1iwa s TRP 70 N -1.50 3.52 0.00 3.97 -0.11 -0.47 -4.91 118.94 119.44 1iwa s TRP 70 Ca 0.47 -2.39 0.00 0.00 1.22 0.00 0.00 56.10 55.41 1iwa s TRP 70 Cb -0.20 -3.42 0.00 0.00 -1.50 0.00 0.00 33.47 28.34 1iwa s TRP 70 CO 0.26 -0.91 0.00 0.41 -4.62 0.00 0.00 176.95 172.09 1iwa n GLY 71 N 3.84 -0.69 3.88 5.86 0.00 -1.26 -4.58 105.19 112.24 1iwa n GLY 71 Ca 0.07 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 1iwa n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iwa s LEU 72 N 0.00 3.50 0.38 0.99 2.96 -1.26 -4.96 118.68 120.29 1iwa s LEU 72 Ca 0.00 1.19 -0.24 0.00 -0.22 0.00 0.00 54.13 54.86 1iwa s LEU 72 Cb 0.00 -4.17 -0.10 0.00 0.50 0.00 0.00 46.19 42.42 1iwa s LEU 72 CO 0.00 -0.67 0.99 -2.16 -1.32 0.00 0.00 176.35 173.19 1iwa s PRO 73 N -4.75 4.32 -0.22 0.98 0.04 -1.26 -4.89 135.00 129.22 1iwa s PRO 73 Ca 0.52 1.37 -0.29 0.00 0.04 0.00 0.00 61.00 62.64 1iwa s PRO 73 Cb -0.11 -2.56 -0.00 0.00 0.04 0.00 0.00 34.50 31.87 1iwa s PRO 73 CO 0.46 0.03 1.22 -0.51 0.04 0.00 0.00 177.00 178.24 1iwa s LEU 74 N -2.54 4.07 -0.19 -3.56 1.02 0.15 -4.87 118.68 112.75 1iwa s LEU 74 Ca 0.56 1.46 -0.19 0.00 0.02 0.00 0.00 54.13 55.98 1iwa s LEU 74 Cb -0.18 -3.54 -0.15 0.00 0.02 0.00 0.00 46.19 42.33 1iwa s LEU 74 CO 0.23 -0.84 0.12 0.49 0.02 0.00 0.00 176.35 176.37 1iwa n PHE 75 N 6.87 0.99 -1.61 0.29 3.72 -1.26 -0.34 117.46 126.12 1iwa n PHE 75 Ca 0.14 0.43 -0.22 0.00 -0.05 0.00 0.00 57.45 57.75 1iwa n PHE 75 Cb 0.46 -1.03 0.10 0.00 -0.94 0.00 0.00 39.48 38.07 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 -4.47 5.02 -4.51 4.37 8.00 -1.26 -4.53 116.55 119.17 1iwa n ASP 76 Ca -0.27 -3.77 -0.45 0.00 0.71 0.00 0.00 54.79 51.01 1iwa n ASP 76 Cb 0.59 -0.65 -0.02 0.00 -0.02 0.00 0.00 41.12 41.03 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 -0.92 1.96 0.00 2.53 0.31 -1.26 -4.89 118.33 116.05 1iwa n VAL 77 Ca 0.48 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1iwa n VAL 77 Cb 0.93 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 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 -0.04 0.00 -3.28 2.52 -1.04 -1.26 -4.95 114.28 106.23 1iwa n THR 78 Ca 0.12 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.69 1iwa n THR 78 Cb 0.31 -0.28 -0.07 0.00 -1.82 0.00 0.00 70.33 68.47 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 -3.46 6.19 0.64 8.00 2.15 -1.26 -4.92 116.67 124.00 1iwa s ASP 79 Ca 0.00 -1.10 0.33 0.00 0.43 0.00 0.00 52.55 52.22 1iwa s ASP 79 Cb 0.00 -2.24 1.83 0.00 -0.30 0.00 0.00 42.92 42.22 1iwa s ASP 79 CO 0.00 -0.76 2.08 1.55 -0.17 0.00 0.00 175.17 177.87 1iwa h PRO 80 N 8.87 0.00 0.00 4.34 0.13 -1.93 0.36 132.00 143.76 1iwa h PRO 80 Ca -0.28 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.79 1iwa h PRO 80 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1iwa h PRO 80 CO 0.91 0.00 -0.31 0.00 -0.23 0.00 0.00 178.00 178.37 1iwa h ALA 81 N 1.62 1.27 -0.23 -0.56 0.00 -1.96 -0.46 119.26 118.95 1iwa h ALA 81 Ca 0.04 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1iwa h ALA 81 Cb 0.49 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1iwa h ALA 81 CO -0.00 0.39 -0.38 0.00 0.00 0.00 0.00 179.25 179.26 1iwa h ALA 82 N 1.69 0.92 0.13 0.00 0.00 -0.68 -1.81 119.26 119.51 1iwa h ALA 82 Ca -0.00 -0.42 -0.28 0.00 0.00 0.00 0.00 54.91 54.21 1iwa h ALA 82 Cb 0.64 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1iwa h ALA 82 CO 0.04 0.63 -1.23 0.28 0.00 0.00 0.00 179.25 178.96 1iwa h VAL 83 N 0.43 1.41 -0.86 0.00 2.07 -1.44 -3.23 116.25 114.62 1iwa h VAL 83 Ca 0.04 -2.78 0.00 0.00 0.82 0.00 0.00 66.70 64.78 1iwa h VAL 83 Cb 0.85 2.82 -0.04 0.00 -1.52 0.00 0.00 31.29 33.40 1iwa h VAL 83 CO 0.07 0.82 0.54 -0.07 0.02 0.00 0.00 177.57 178.96 1iwa h LEU 84 N 0.15 1.01 0.53 2.57 -0.00 -0.95 -1.15 115.31 117.47 1iwa h LEU 84 Ca -0.16 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.67 1iwa h LEU 84 Cb 1.93 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 42.32 1iwa h LEU 84 CO 0.22 0.75 -0.38 0.15 -0.00 0.00 0.00 178.44 179.17 1iwa h PHE 85 N 1.18 -1.03 -0.03 1.13 3.57 -1.36 -0.36 116.94 120.04 1iwa h PHE 85 Ca 0.31 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 1iwa h PHE 85 Cb -0.09 0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1iwa h PHE 85 CO 0.00 -0.56 -0.02 0.93 -2.23 0.00 0.00 178.31 176.43 1iwa h GLU 86 N -0.89 0.04 -0.16 1.11 4.39 -1.53 0.57 114.58 118.11 1iwa h GLU 86 Ca -0.06 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 1iwa h GLU 86 Cb 0.74 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1iwa h GLU 86 CO 0.02 0.06 -0.05 0.82 -1.16 0.00 0.00 179.01 178.70 1iwa h ILE 87 N 0.04 1.30 0.00 3.13 2.04 -0.73 -0.59 117.51 122.70 1iwa h ILE 87 Ca 0.01 -1.04 -0.12 0.00 1.00 0.00 0.00 64.86 64.71 1iwa h ILE 87 Cb 0.06 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1iwa h ILE 87 CO 0.00 0.31 -0.57 0.78 0.00 0.00 0.00 178.15 178.67 1iwa h ASN 88 N 0.02 0.00 0.13 1.72 4.21 -0.27 -0.34 115.58 121.05 1iwa h ASN 88 Ca 0.04 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.54 1iwa h ASN 88 Cb 0.50 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 1iwa h ASN 88 CO 0.02 0.57 -0.06 0.00 -1.29 0.00 0.00 177.43 176.66 1iwa h ALA 89 N 1.43 -0.17 -0.63 -0.83 0.00 0.27 -1.10 119.26 118.23 1iwa h ALA 89 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1iwa h ALA 89 Cb 1.06 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1iwa h ALA 89 CO 0.07 -0.56 0.40 0.00 0.00 0.00 0.00 179.25 179.17 1iwa h ARG 91 N 0.86 0.78 -0.29 0.00 3.08 -0.75 0.47 114.38 118.52 1iwa h ARG 91 Ca 0.23 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 60.07 1iwa h ARG 91 Cb -0.07 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 1iwa h ARG 91 CO -0.05 0.52 -0.48 -0.22 -1.07 0.00 0.00 179.97 178.67 1iwa h LYS 92 N 0.80 0.78 0.02 0.04 3.64 -0.50 -0.96 116.57 120.39 1iwa h LYS 92 Ca 0.44 -0.45 -0.21 0.00 -1.27 0.00 0.00 60.65 59.16 1iwa h LYS 92 Cb 0.57 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1iwa h LYS 92 CO -0.21 1.08 -0.94 0.00 -2.27 0.00 0.00 179.45 177.12 1iwa h ALA 93 N 0.84 0.45 -1.59 5.00 0.00 -0.52 -3.36 119.26 120.08 1iwa h ALA 93 Ca 0.03 -0.78 -0.50 0.00 0.00 0.00 0.00 54.91 53.67 1iwa h ALA 93 Cb 1.05 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 18.35 1iwa h ALA 93 CO 0.10 0.99 -0.95 0.54 0.00 0.00 0.00 179.25 179.93 1iwa n ARG 94 N -3.58 2.20 -0.24 0.00 5.12 0.15 -4.94 116.66 115.36 1iwa n ARG 94 Ca -0.03 -3.96 0.04 0.00 -1.93 0.00 0.00 57.85 51.97 1iwa n ARG 94 Cb 0.85 -1.82 0.17 0.00 -1.16 0.00 0.00 32.46 30.50 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 2.87 0.25 -1.90 0.55 4.64 -1.33 -2.40 113.55 116.23 1iwa h SER 95 Ca 0.10 0.10 -0.74 0.00 -0.47 0.00 0.00 61.79 60.79 1iwa h SER 95 Cb 0.93 0.09 -0.26 0.00 -0.31 0.00 0.00 62.40 62.85 1iwa h SER 95 CO 0.67 0.10 1.00 -0.46 -0.87 0.00 0.00 176.83 177.27 1iwa n ASN 96 N -5.01 7.42 -4.12 4.97 6.94 -1.26 -4.63 115.26 119.57 1iwa n ASN 96 Ca 0.13 -3.77 -0.11 0.00 -0.02 0.00 0.00 54.58 50.81 1iwa n ASN 96 Cb 0.38 -1.09 -0.11 0.00 -2.36 0.00 0.00 39.78 36.61 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 -3.82 0.76 0.19 -2.53 0.40 -0.91 -4.78 117.98 107.30 1iwa s PHE 97 Ca 0.53 -0.74 -0.30 0.00 -0.60 0.00 0.00 56.93 55.81 1iwa s PHE 97 Cb 0.43 -0.45 -0.08 0.00 0.51 0.00 0.00 43.02 43.43 1iwa s PHE 97 CO -0.39 -0.14 0.99 0.71 0.70 0.00 0.00 175.22 177.09 1iwa s TYR 98 N -2.66 3.82 -0.06 0.36 1.51 0.07 -4.19 117.35 116.19 1iwa s TYR 98 Ca 0.02 1.80 0.02 0.00 -1.01 0.00 0.00 57.07 57.90 1iwa s TYR 98 Cb -0.01 -3.09 0.01 0.00 -0.11 0.00 0.00 41.96 38.76 1iwa s TYR 98 CO -0.03 0.08 -0.11 0.42 -1.11 0.00 0.00 175.55 174.81 1iwa s ILE 99 N -0.62 1.01 0.16 2.71 1.01 -1.00 -2.06 121.20 122.42 1iwa s ILE 99 Ca 0.45 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.75 1iwa s ILE 99 Cb -0.26 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 1iwa s ILE 99 CO 0.33 0.33 -0.13 -1.59 0.00 0.00 0.00 174.94 173.88 1iwa s LYS 100 N 0.72 1.15 -0.07 2.79 -2.85 -0.22 -0.08 119.74 121.18 1iwa s LYS 100 Ca -0.14 -1.45 0.05 0.00 -1.00 0.00 0.00 55.97 53.43 1iwa s LYS 100 Cb -0.15 -0.87 -0.01 0.00 -2.06 0.00 0.00 37.83 34.73 1iwa s LYS 100 CO 0.03 0.14 -0.22 0.08 0.10 0.00 0.00 175.35 175.48 1iwa s VAL 101 N -2.92 2.35 0.01 1.79 1.01 -0.39 -1.31 120.40 120.94 1iwa s VAL 101 Ca 0.17 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.26 1iwa s VAL 101 Cb -0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1iwa s VAL 101 CO 0.03 0.56 -0.21 -0.69 0.00 0.00 0.00 175.10 174.80 1iwa s VAL 102 N -0.11 1.64 -0.22 2.92 1.01 0.36 -1.78 120.40 124.23 1iwa s VAL 102 Ca -0.04 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 1iwa s VAL 102 Cb -0.14 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1iwa s VAL 102 CO 0.04 0.34 -0.08 -0.83 0.00 0.00 0.00 175.10 174.57 1iwa s GLY 103 N -0.80 1.56 -0.13 4.51 0.00 -0.42 -0.61 107.32 111.44 1iwa s GLY 103 Ca 0.08 -1.22 -0.06 0.00 0.00 0.00 0.00 44.72 43.52 1iwa s GLY 103 CO 0.00 0.41 0.08 -0.12 0.00 0.00 0.00 173.10 173.48 1iwa s PHE 104 N 1.41 3.39 -0.13 1.90 5.36 0.57 -1.03 117.98 129.46 1iwa s PHE 104 Ca 0.05 0.33 -0.00 0.00 -0.96 0.00 0.00 56.93 56.34 1iwa s PHE 104 Cb -0.14 -1.94 -0.02 0.00 -0.34 0.00 0.00 43.02 40.58 1iwa s PHE 104 CO -0.06 0.51 -0.11 0.45 -1.46 0.00 0.00 175.22 174.55 1iwa s SER 105 N -0.60 4.17 -0.09 6.13 0.15 0.51 -1.19 113.70 122.78 1iwa s SER 105 Ca 0.12 -0.27 0.20 0.00 0.70 0.00 0.00 55.95 56.69 1iwa s SER 105 Cb -0.12 -1.57 0.72 0.00 -1.71 0.00 0.00 66.02 63.35 1iwa s SER 105 CO 0.02 0.19 1.63 -1.20 1.20 0.00 0.00 173.24 175.08 1iwa n SER 106 N 3.38 4.65 -4.75 5.45 7.64 -1.26 -1.50 113.62 127.24 1iwa n SER 106 Ca -0.18 -2.35 -0.41 0.00 1.01 0.00 0.00 58.87 56.93 1iwa n SER 106 Cb 0.53 -0.57 -0.02 0.00 -1.01 0.00 0.00 64.21 63.14 1iwa n SER 106 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1iwa s VAL 107 N -1.67 2.31 0.35 0.44 1.01 -1.26 -4.62 120.40 116.96 1iwa s VAL 107 Ca 0.52 0.26 0.23 0.00 0.00 0.00 0.00 61.98 62.98 1iwa s VAL 107 Cb 0.32 -3.17 0.36 0.00 0.00 0.00 0.00 36.38 33.90 1iwa s VAL 107 CO 0.27 0.04 1.37 -1.14 0.00 0.00 0.00 175.10 175.64 1iwa n ARG 107 N 2.20 -0.04 0.01 2.72 0.63 -1.26 -0.06 116.66 120.85 1iwa n ARG 107 Ca 0.07 1.15 0.11 0.00 -0.92 0.00 0.00 57.85 58.27 1iwa n ARG 107 Cb 0.39 -2.15 0.09 0.00 0.45 0.00 0.00 32.46 31.24 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 -1.33 -1.16 0.00 5.14 0.00 -1.26 -4.63 105.19 101.94 1iwa n GLY 107 Ca 0.34 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.58 0.00 -4.13 -0.61 -0.00 0.91 -4.97 119.36 108.98 1iwa n ILE 108 Ca 0.04 0.39 -0.30 0.00 -0.00 0.00 0.00 62.75 62.89 1iwa n ILE 108 Cb 0.35 -1.38 -0.05 0.00 -0.00 0.00 0.00 39.64 38.57 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 -2.24 -2.52 -3.81 0.38 1.02 -0.56 -4.89 120.64 108.01 1iwa n GLU 109 Ca 0.00 0.30 -0.09 0.00 -0.02 0.00 0.00 57.16 57.35 1iwa n GLU 109 Cb 0.00 -4.40 0.02 0.00 -0.02 0.00 0.00 31.44 27.05 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 -4.12 0.01 0.12 1.62 0.15 -0.64 -4.95 113.70 105.90 1iwa s SER 110 Ca 0.18 -1.14 -0.30 0.00 0.70 0.00 0.00 55.95 55.39 1iwa s SER 110 Cb -0.10 0.85 -0.07 0.00 -1.71 0.00 0.00 66.02 64.99 1iwa s SER 110 CO 0.93 -1.68 1.20 -0.89 1.20 0.00 0.00 173.24 174.00 1iwa s THR 111 N -2.35 3.79 -0.14 6.45 2.01 -1.26 -0.36 115.64 123.77 1iwa s THR 111 Ca 0.16 1.38 0.01 0.00 0.31 0.00 0.00 61.69 63.55 1iwa s THR 111 Cb -0.05 -3.88 0.04 0.00 0.01 0.00 0.00 72.50 68.61 1iwa s THR 111 CO 0.11 0.16 0.97 2.30 -0.69 0.00 0.00 174.62 177.47 1iwa n ILE 112 N 3.23 0.86 -3.64 1.82 -5.35 -0.20 -4.92 119.36 111.16 1iwa n ILE 112 Ca 0.07 -0.93 -0.06 0.00 -0.27 0.00 0.00 62.75 61.56 1iwa n ILE 112 Cb 0.45 0.58 -0.07 0.00 -1.74 0.00 0.00 39.64 38.86 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 -0.88 0.00 -0.27 7.28 2.07 -1.24 -4.99 121.20 123.18 1iwa s ILE 113 Ca 0.03 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.25 1iwa s ILE 113 Cb 0.02 -1.00 0.16 0.00 0.13 0.00 0.00 42.46 41.76 1iwa s ILE 113 CO 0.02 0.00 0.46 -0.55 -1.91 0.00 0.00 174.94 172.97 1iwa s SER 114 N 0.48 -0.38 0.06 4.50 0.15 -1.26 -1.30 113.70 115.94 1iwa s SER 114 Ca 0.01 0.45 0.06 0.00 0.70 0.00 0.00 55.95 57.16 1iwa s SER 114 Cb -0.05 1.52 -0.03 0.00 -1.71 0.00 0.00 66.02 65.76 1iwa s SER 114 CO -0.10 -0.29 -0.16 0.72 1.20 0.00 0.00 173.24 174.61 1iwa s PHE 115 N 2.67 1.36 0.09 3.44 -0.71 -0.73 -1.00 117.98 123.10 1iwa s PHE 115 Ca 0.16 -0.40 -0.30 0.00 -1.04 0.00 0.00 56.93 55.34 1iwa s PHE 115 Cb -0.15 -0.79 -0.06 0.00 -1.21 0.00 0.00 43.02 40.81 1iwa s PHE 115 CO -0.18 0.07 1.18 0.42 -1.34 0.00 0.00 175.22 175.37 1iwa s ILE 116 N -1.02 3.98 0.00 -4.49 -1.09 -1.26 -1.26 121.20 116.05 1iwa s ILE 116 Ca 0.02 1.48 0.00 0.00 -2.23 0.00 0.00 60.65 59.92 1iwa s ILE 116 Cb -0.09 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1iwa s ILE 116 CO 0.02 0.15 0.83 1.33 -1.23 0.00 0.00 174.94 176.04 1iwa n VAL 117 N 3.56 0.69 -3.61 2.92 0.24 0.89 -4.75 118.33 118.27 1iwa n VAL 117 Ca 0.08 -0.78 -0.09 0.00 -2.04 0.00 0.00 64.34 61.50 1iwa n VAL 117 Cb 0.46 0.68 -0.06 0.00 -1.47 0.00 0.00 33.84 33.45 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 -0.69 -0.38 0.02 -1.34 3.84 -1.11 -4.92 114.94 110.36 1iwa s ASN 118 Ca 0.00 0.58 -0.07 0.00 0.21 0.00 0.00 52.86 53.58 1iwa s ASN 118 Cb 0.00 0.53 -0.00 0.00 -0.55 0.00 0.00 41.25 41.23 1iwa s ASN 118 CO 0.00 -0.23 0.12 -0.13 -2.79 0.00 0.00 177.10 174.07 1iwa s ARG 119 N -0.46 0.55 0.65 0.43 0.52 -1.26 -2.37 118.95 117.02 1iwa s ARG 119 Ca 0.01 -0.58 -0.13 0.00 -0.52 0.00 0.00 55.73 54.51 1iwa s ARG 119 Cb -0.03 0.22 -0.01 0.00 0.52 0.00 0.00 34.95 35.66 1iwa s ARG 119 CO -0.03 -0.14 1.06 -1.25 0.02 0.00 0.00 175.30 174.96 1iwa s PRO 120 N -2.06 3.06 0.16 3.54 0.04 -1.26 -4.81 135.00 133.68 1iwa s PRO 120 Ca -0.09 1.08 -0.24 0.00 0.04 0.00 0.00 61.00 61.79 1iwa s PRO 120 Cb -0.04 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.54 1iwa s PRO 120 CO -0.02 -1.01 1.59 0.87 0.04 0.00 0.00 177.00 178.48 1iwa h LYS 121 N -0.23 -0.26 -5.89 4.56 1.57 -1.92 -3.42 116.57 110.97 1iwa h LYS 121 Ca -0.45 0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 57.74 1iwa h LYS 121 Cb 1.22 0.06 -0.30 0.00 0.08 0.00 0.00 32.23 33.29 1iwa h LYS 121 CO 0.57 -0.18 -0.85 -1.58 -0.57 0.00 0.00 179.45 176.84 1iwa s HIS 122 N -5.97 1.88 -0.29 -1.35 5.04 -1.26 -5.12 115.29 108.23 1iwa s HIS 122 Ca -0.15 -0.41 0.03 0.00 -1.54 0.00 0.00 55.06 52.99 1iwa s HIS 122 Cb 0.13 -1.22 0.07 0.00 0.04 0.00 0.00 32.58 31.60 1iwa s HIS 122 CO 0.67 -0.07 -0.05 -2.00 -2.34 0.00 0.00 174.74 170.95 1iwa s GLU 123 N -0.36 2.04 0.40 2.88 2.56 -1.26 -4.96 118.70 119.99 1iwa s GLU 123 Ca 0.05 -1.50 0.06 0.00 0.00 0.00 0.00 54.97 53.58 1iwa s GLU 123 Cb -0.09 -3.02 0.80 0.00 2.00 0.00 0.00 34.13 33.83 1iwa s GLU 123 CO 0.00 -0.69 2.04 -1.35 -0.56 0.00 0.00 175.26 174.70 1iwa h PRO 124 N 7.75 0.59 0.00 4.30 0.11 -2.00 0.25 132.00 143.00 1iwa h PRO 124 Ca -0.15 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1iwa h PRO 124 Cb 1.04 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1iwa h PRO 124 CO 0.49 0.40 0.00 0.41 -0.21 0.00 0.00 178.00 179.09 1iwa n GLY 125 N -1.42 -1.80 3.55 -0.55 0.00 -1.26 -4.54 105.19 99.17 1iwa n GLY 125 Ca 0.04 -2.02 -0.24 0.00 0.00 0.00 0.00 46.02 43.79 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 2.46 0.06 1.61 0.40 -1.26 -1.13 117.98 120.11 1iwa s PHE 126 Ca 0.00 -0.33 0.02 0.00 -0.60 0.00 0.00 56.93 56.02 1iwa s PHE 126 Cb 0.00 -1.16 -0.04 0.00 0.51 0.00 0.00 43.02 42.33 1iwa s PHE 126 CO 0.00 0.64 0.10 1.21 0.70 0.00 0.00 175.22 177.87 1iwa s ASN 127 N -3.60 5.70 -0.20 1.36 2.47 0.12 -4.86 114.94 115.94 1iwa s ASN 127 Ca 0.31 0.07 0.01 0.00 0.42 0.00 0.00 52.86 53.67 1iwa s ASN 127 Cb -0.04 -1.60 0.04 0.00 -1.45 0.00 0.00 41.25 38.20 1iwa s ASN 127 CO 0.17 0.19 -0.10 -0.22 -3.72 0.00 0.00 177.10 173.43 1iwa s LEU 128 N -2.28 2.22 -0.08 3.21 2.96 -1.26 -2.33 118.68 121.12 1iwa s LEU 128 Ca 0.29 -0.87 -0.14 0.00 -0.22 0.00 0.00 54.13 53.20 1iwa s LEU 128 Cb -0.12 -1.20 -0.05 0.00 0.50 0.00 0.00 46.19 45.32 1iwa s LEU 128 CO 0.21 -0.15 0.34 -0.04 -1.32 0.00 0.00 176.35 175.39 1iwa s MET 129 N 1.42 4.01 -0.59 1.98 -1.94 -0.43 -4.97 119.30 118.77 1iwa s MET 129 Ca -0.01 0.23 0.02 0.00 -1.71 0.00 0.00 55.69 54.22 1iwa s MET 129 Cb -0.16 -3.31 0.15 0.00 2.01 0.00 0.00 34.83 33.52 1iwa s MET 129 CO -0.08 0.49 0.37 1.03 -0.01 0.00 0.00 175.02 176.82 1iwa s ARG 130 N -0.36 2.27 -0.37 2.03 0.52 -1.26 -2.69 118.95 119.08 1iwa s ARG 130 Ca 0.20 -2.75 -0.27 0.00 -0.52 0.00 0.00 55.73 52.39 1iwa s ARG 130 Cb -0.15 -3.47 0.02 0.00 0.52 0.00 0.00 34.95 31.87 1iwa s ARG 130 CO 0.08 -1.16 1.01 -1.14 0.02 0.00 0.00 175.30 174.12 1iwa s GLN 131 N -0.48 3.90 -0.04 3.54 0.74 -0.74 -4.90 119.66 121.68 1iwa s GLN 131 Ca 0.19 0.74 -0.30 0.00 0.05 0.00 0.00 55.36 56.04 1iwa s GLN 131 Cb -0.20 -3.80 -0.05 0.00 1.10 0.00 0.00 33.01 30.06 1iwa s GLN 131 CO -0.04 -1.01 1.53 -1.21 -0.55 0.00 0.00 175.29 174.02 1iwa s GLU 132 N 3.70 4.22 0.00 1.67 2.02 -1.26 -1.09 118.70 127.95 1iwa s GLU 132 Ca 0.42 2.07 0.00 0.00 0.02 0.00 0.00 54.97 57.48 1iwa s GLU 132 Cb -0.11 -3.81 0.00 0.00 0.10 0.00 0.00 34.13 30.31 1iwa s GLU 132 CO 0.20 -0.75 0.00 -3.47 0.02 0.00 0.00 175.26 171.26 1iwa n ASP 133 N 6.45 0.00 -4.74 -0.19 2.03 -0.52 -4.94 116.55 114.64 1iwa n ASP 133 Ca 0.16 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.05 1iwa n ASP 133 Cb 0.43 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.80 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 4.39 4.48 2.84 -0.67 1.02 -1.26 -4.75 119.74 125.80 1iwa s LYS 134 Ca 0.00 1.90 0.00 0.00 0.02 0.00 0.00 55.97 57.89 1iwa s LYS 134 Cb 0.00 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 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 2.41 0.00 -0.14 2.83 7.64 -1.26 -0.44 113.62 124.66 1iwa n SER 135 Ca 0.04 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.99 1iwa n SER 135 Cb 0.44 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.36 1.98 -1.71 1.43 5.12 -1.26 -5.01 116.66 117.56 1iwa n ARG 136 Ca 0.00 -0.31 -0.38 0.00 -1.93 0.00 0.00 57.85 55.23 1iwa n ARG 136 Cb 0.00 -1.22 0.05 0.00 -1.16 0.00 0.00 32.46 30.13 1iwa n ARG 136 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1iwa n SER 137 N -0.87 2.17 -4.20 0.55 7.64 0.42 -4.86 113.62 114.46 1iwa n SER 137 Ca 0.04 0.91 -0.22 0.00 1.01 0.00 0.00 58.87 60.61 1iwa n SER 137 Cb 0.27 -1.53 -0.13 0.00 -1.01 0.00 0.00 64.21 61.80 1iwa n SER 137 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1iwa s ILE 138 N -1.35 1.38 -0.31 0.44 1.01 -1.26 -1.43 121.20 119.68 1iwa s ILE 138 Ca 0.75 -1.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.17 1iwa s ILE 138 Cb -0.41 -1.24 0.03 0.00 0.01 0.00 0.00 42.46 40.84 1iwa s ILE 138 CO 0.47 0.04 0.07 -0.54 0.00 0.00 0.00 174.94 174.97 1iwa s LYS 139 N -1.33 2.77 0.22 2.79 -0.14 -0.25 -4.92 119.74 118.88 1iwa s LYS 139 Ca 0.04 -1.07 -0.05 0.00 -1.36 0.00 0.00 55.97 53.53 1iwa s LYS 139 Cb -0.09 -3.36 -0.06 0.00 -1.68 0.00 0.00 37.83 32.65 1iwa s LYS 139 CO 0.02 -0.56 0.48 0.71 -0.76 0.00 0.00 175.35 175.23 1iwa s TYR 140 N 1.41 3.46 -0.03 3.18 1.51 -1.26 -1.78 117.35 123.84 1iwa s TYR 140 Ca -0.01 0.64 -0.01 0.00 -1.01 0.00 0.00 57.07 56.68 1iwa s TYR 140 Cb -0.18 -2.08 0.03 0.00 -0.11 0.00 0.00 41.96 39.61 1iwa s TYR 140 CO 0.02 0.30 0.06 0.99 -1.11 0.00 0.00 175.55 175.81 1iwa s THR 141 N -1.86 -0.05 -0.14 -0.71 2.01 -1.09 -4.99 115.64 108.80 1iwa s THR 141 Ca 0.43 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.62 1iwa s THR 141 Cb -0.11 -0.12 -0.01 0.00 0.01 0.00 0.00 72.50 72.27 1iwa s THR 141 CO 0.26 0.08 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.49 1iwa s ILE 142 N 0.98 2.83 -0.02 1.82 1.01 -1.26 -1.31 121.20 125.24 1iwa s ILE 142 Ca -0.08 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1iwa s ILE 142 Cb -0.11 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.19 1iwa s ILE 142 CO -0.03 0.52 0.01 -2.28 0.00 0.00 0.00 174.94 173.15 1iwa s HIS 143 N 0.63 0.23 0.39 3.97 2.46 -0.98 -4.96 115.29 117.03 1iwa s HIS 143 Ca -0.08 0.03 -0.26 0.00 0.47 0.00 0.00 55.06 55.22 1iwa s HIS 143 Cb -0.16 -0.34 -0.09 0.00 -0.13 0.00 0.00 32.58 31.86 1iwa s HIS 143 CO 0.03 -0.11 1.22 -1.54 -2.47 0.00 0.00 174.74 171.87 1iwa s SER 144 N 0.96 6.49 0.31 9.88 1.04 -1.26 0.16 113.70 131.28 1iwa s SER 144 Ca -0.09 2.48 0.00 0.00 0.48 0.00 0.00 55.95 58.82 1iwa s SER 144 Cb -0.13 -2.63 0.50 0.00 0.10 0.00 0.00 66.02 63.86 1iwa s SER 144 CO -0.02 -0.71 1.90 1.88 0.98 0.00 0.00 173.24 177.27 1iwa h TYR 145 N 2.76 0.82 0.00 5.02 -1.99 -1.46 -1.63 116.97 120.48 1iwa h TYR 145 Ca -0.49 -0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.16 1iwa h TYR 145 Cb 1.24 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 39.71 1iwa h TYR 145 CO 0.54 0.63 -0.20 0.93 -0.00 0.00 0.00 178.16 180.06 1iwa h GLU 146 N 0.81 0.00 0.00 4.88 4.39 -1.92 -2.41 114.58 120.34 1iwa h GLU 146 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1iwa h GLU 146 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1iwa h GLU 146 CO -0.02 0.20 0.00 0.43 -1.16 0.00 0.00 179.01 178.46 1iwa n SER 147 N -3.76 0.00 -0.08 1.42 7.64 -0.61 -1.61 113.62 116.62 1iwa n SER 147 Ca -0.02 -0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.01 1iwa n SER 147 Cb 0.31 -0.26 0.66 0.00 -1.01 0.00 0.00 64.21 63.91 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 -1.26 0.00 -4.23 1.43 4.02 -0.90 -4.81 117.16 111.40 1iwa n TYR 148 Ca 0.08 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.73 1iwa n TYR 148 Cb 0.13 -0.20 -0.07 0.00 -0.02 0.00 0.00 39.34 39.18 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 -2.47 2.44 0.64 -0.72 1.02 -0.63 -5.11 119.74 114.91 1iwa s LYS 149 Ca 0.30 -1.24 -0.16 0.00 0.02 0.00 0.00 55.97 54.88 1iwa s LYS 149 Cb 0.20 -2.30 -0.01 0.00 -0.52 0.00 0.00 37.83 35.20 1iwa s LYS 149 CO 0.47 0.40 1.13 -1.25 -0.92 0.00 0.00 175.35 175.18 1iwa s PRO 150 N -3.44 2.87 0.23 -1.68 0.04 -1.26 -4.86 135.00 126.90 1iwa s PRO 150 Ca 0.30 1.49 -0.09 0.00 0.04 0.00 0.00 61.00 62.74 1iwa s PRO 150 Cb -0.08 -1.95 0.36 0.00 0.04 0.00 0.00 34.50 32.87 1iwa s PRO 150 CO 0.20 -1.21 1.65 0.93 0.04 0.00 0.00 177.00 178.61 1iwa h GLU 151 N 0.29 0.10 0.00 4.56 5.08 -1.95 -1.51 114.58 121.15 1iwa h GLU 151 Ca -0.48 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1iwa h GLU 151 Cb 1.26 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1iwa h GLU 151 CO 0.54 0.07 0.00 -0.40 -1.00 0.00 0.00 179.01 178.22 1iwa n ASP 152 N -5.32 0.00 0.00 1.42 5.75 -1.26 -2.24 116.55 114.90 1iwa n ASP 152 Ca 0.11 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.94 1iwa n ASP 152 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 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 -0.57 0.84 -3.05 0.11 1.02 -0.57 -5.07 120.64 113.35 1iwa n GLU 153 Ca 0.02 -0.80 -0.35 0.00 -0.02 0.00 0.00 57.16 56.01 1iwa n GLU 153 Cb 0.01 -0.82 -0.06 0.00 -0.02 0.00 0.00 31.44 30.54 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 -0.37 4.23 0.00 3.49 0.52 -0.95 -4.93 118.95 120.94 1iwa s ARG 154 Ca 0.00 0.89 0.00 0.00 -0.52 0.00 0.00 55.73 56.10 1iwa s ARG 154 Cb 0.00 -2.70 0.00 0.00 0.52 0.00 0.00 34.95 32.77 1iwa s ARG 154 CO 0.00 0.29 0.00 0.66 0.02 0.00 0.00 175.30 176.27