#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 2.90 -0.07 2.12 3.52 -1.26 -4.45 118.95 121.71 1iwa s ARG 9 Ca 0.00 -0.93 -0.29 0.00 -0.13 0.00 0.00 55.73 54.37 1iwa s ARG 9 Cb 0.00 -2.98 -0.07 0.00 -1.56 0.00 0.00 34.95 30.34 1iwa s ARG 9 CO 0.00 -0.37 2.01 0.42 -0.81 0.00 0.00 175.30 176.55 1iwa s ILE 10 N 1.34 3.09 -0.34 4.11 -1.09 -1.26 -4.88 121.20 122.17 1iwa s ILE 10 Ca 0.01 0.10 0.09 0.00 -2.23 0.00 0.00 60.65 58.63 1iwa s ILE 10 Cb -0.16 -3.09 0.74 0.00 -1.58 0.00 0.00 42.46 38.37 1iwa s ILE 10 CO -0.05 -0.03 1.80 0.35 -1.23 0.00 0.00 174.94 175.78 1iwa n THR 11 N 6.36 2.91 -1.48 2.92 -2.24 -1.26 -4.94 114.28 116.55 1iwa n THR 11 Ca 0.23 -1.59 -0.31 0.00 -2.27 0.00 0.00 64.05 60.11 1iwa n THR 11 Cb 0.43 -0.37 0.07 0.00 -2.10 0.00 0.00 70.33 68.35 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 -2.94 2.66 0.00 -0.78 -0.21 -1.26 -4.73 119.66 112.39 1iwa s GLN 12 Ca 0.54 0.99 0.00 0.00 0.02 0.00 0.00 55.36 56.91 1iwa s GLN 12 Cb 0.43 -1.96 0.00 0.00 1.00 0.00 0.00 33.01 32.49 1iwa s GLN 12 CO 0.13 -1.31 0.00 0.41 -2.12 0.00 0.00 175.29 172.41 1iwa n GLY 13 N -1.77 1.60 0.45 3.09 0.00 -1.26 -4.44 105.19 102.86 1iwa n GLY 13 Ca 0.08 -1.51 0.26 0.00 0.00 0.00 0.00 46.02 44.85 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 0.57 0.00 2.61 2.02 -0.76 -3.09 112.91 114.26 1iwa h THR 14 Ca 0.00 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1iwa h THR 14 Cb 0.00 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 1iwa h THR 14 CO 0.00 0.03 -0.31 0.49 0.37 0.00 0.00 175.52 176.09 1iwa n PHE 15 N -4.36 0.00 0.81 3.16 3.72 -1.26 -4.83 117.46 114.70 1iwa n PHE 15 Ca 0.20 -0.76 0.07 0.00 -0.05 0.00 0.00 57.45 56.90 1iwa n PHE 15 Cb 0.91 -0.14 0.39 0.00 -0.94 0.00 0.00 39.48 39.70 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 -0.82 0.00 -0.41 4.37 7.64 -1.17 -1.41 113.62 121.82 1iwa n SER 16 Ca 0.11 -0.40 0.12 0.00 1.01 0.00 0.00 58.87 59.72 1iwa n SER 16 Cb 0.71 -0.01 0.18 0.00 -1.01 0.00 0.00 64.21 64.08 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 -1.01 0.00 -3.86 1.43 3.72 -1.26 -4.85 117.46 111.62 1iwa n PHE 17 Ca 0.10 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.29 1iwa n PHE 17 Cb 0.05 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 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 -2.46 3.83 0.89 4.37 1.43 -0.50 -5.09 118.68 121.15 1iwa s LEU 18 Ca 0.22 -0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 52.93 1iwa s LEU 18 Cb 0.19 -2.44 0.13 0.00 0.03 0.00 0.00 46.19 44.10 1iwa s LEU 18 CO 0.53 -0.23 1.15 -2.84 0.23 0.00 0.00 176.35 175.19 1iwa s PRO 19 N -3.98 1.17 0.12 1.29 0.02 -1.26 -4.86 135.00 127.50 1iwa s PRO 19 Ca 0.38 1.54 -0.35 0.00 0.02 0.00 0.00 61.00 62.60 1iwa s PRO 19 Cb -0.08 -1.75 -0.14 0.00 0.02 0.00 0.00 34.50 32.55 1iwa s PRO 19 CO 0.27 -2.52 1.54 -0.25 -0.33 0.00 0.00 177.00 175.72 1iwa n ASP 20 N -4.09 2.74 -4.74 2.53 9.92 -1.26 -4.90 116.55 116.75 1iwa n ASP 20 Ca 0.12 1.08 -0.37 0.00 -0.53 0.00 0.00 54.79 55.10 1iwa n ASP 20 Cb 0.52 -1.36 0.05 0.00 -0.64 0.00 0.00 41.12 39.69 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 1.06 3.65 0.44 0.64 1.43 -1.26 -5.03 118.68 119.61 1iwa s LEU 21 Ca 0.81 2.53 -0.01 0.00 -1.03 0.00 0.00 54.13 56.43 1iwa s LEU 21 Cb -0.76 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 40.88 1iwa s LEU 21 CO 0.41 -1.76 0.68 0.42 0.23 0.00 0.00 176.35 176.34 1iwa s THR 22 N -1.47 4.48 0.49 5.49 -4.23 -1.26 -4.91 115.64 114.22 1iwa s THR 22 Ca 0.79 -0.30 0.31 0.00 -1.18 0.00 0.00 61.69 61.31 1iwa s THR 22 Cb -0.35 -3.67 0.34 0.00 1.34 0.00 0.00 72.50 70.16 1iwa s THR 22 CO 0.37 -0.52 2.17 0.44 -0.54 0.00 0.00 174.62 176.54 1iwa h ASP 23 N 0.41 0.00 0.05 3.99 5.19 -1.99 0.43 116.42 124.50 1iwa h ASP 23 Ca -0.47 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1iwa h ASP 23 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1iwa h ASP 23 CO 0.60 0.06 -0.02 -0.08 -3.12 0.00 0.00 179.24 176.67 1iwa h GLU 24 N 0.00 -0.06 -0.98 3.56 4.22 -1.99 -1.75 114.58 117.58 1iwa h GLU 24 Ca -0.00 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.48 1iwa h GLU 24 Cb 0.19 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1iwa h GLU 24 CO 0.01 0.52 0.64 1.96 -2.18 0.00 0.00 179.01 179.96 1iwa h GLN 25 N -0.70 1.21 -0.19 1.92 4.20 -1.74 -2.02 115.11 117.79 1iwa h GLN 25 Ca -0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1iwa h GLN 25 Cb 0.61 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1iwa h GLN 25 CO 0.01 0.80 0.07 0.82 -0.67 0.00 0.00 178.83 179.86 1iwa h ILE 26 N 1.24 1.16 -0.97 2.54 2.04 -0.98 -1.39 117.51 121.16 1iwa h ILE 26 Ca 0.39 -0.50 0.21 0.00 1.00 0.00 0.00 64.86 65.97 1iwa h ILE 26 Cb 0.00 1.15 -0.12 0.00 -0.74 0.00 0.00 36.82 37.11 1iwa h ILE 26 CO -0.12 0.16 0.56 0.50 0.00 0.00 0.00 178.15 179.24 1iwa h LYS 27 N 0.15 0.60 -0.22 2.37 3.11 -0.63 0.45 116.57 122.40 1iwa h LYS 27 Ca 0.06 -0.04 -0.10 0.00 -2.81 0.00 0.00 60.65 57.77 1iwa h LYS 27 Cb 0.18 -0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 31.27 1iwa h LYS 27 CO -0.00 0.40 -0.24 0.87 -2.81 0.00 0.00 179.45 177.66 1iwa h LYS 28 N 0.62 0.55 -0.28 1.90 1.57 -0.95 -1.84 116.57 118.14 1iwa h LYS 28 Ca 0.60 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1iwa h LYS 28 Cb 1.04 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1iwa h LYS 28 CO -0.44 0.89 0.18 1.96 -0.57 0.00 0.00 179.45 181.47 1iwa h GLN 29 N 0.23 0.35 -0.34 3.15 1.08 0.34 -0.67 115.11 119.24 1iwa h GLN 29 Ca 0.03 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.08 1iwa h GLN 29 Cb 0.80 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 1iwa h GLN 29 CO 0.06 0.23 -0.30 0.82 -0.95 0.00 0.00 178.83 178.69 1iwa h ILE 30 N 0.36 1.29 -0.55 2.54 2.04 -0.00 -2.02 117.51 121.16 1iwa h ILE 30 Ca 0.10 -1.46 0.01 0.00 1.00 0.00 0.00 64.86 64.52 1iwa h ILE 30 Cb -0.01 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1iwa h ILE 30 CO -0.02 0.48 0.37 0.44 0.00 0.00 0.00 178.15 179.41 1iwa h ASP 31 N 0.59 0.61 0.09 1.72 3.32 -0.32 0.20 116.42 122.62 1iwa h ASP 31 Ca 0.06 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1iwa h ASP 31 Cb 0.87 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1iwa h ASP 31 CO 0.08 0.43 -0.04 0.22 -1.72 0.00 0.00 179.24 178.20 1iwa h TYR 32 N 0.71 -0.12 -0.84 4.55 3.20 -0.94 0.14 116.97 123.67 1iwa h TYR 32 Ca 0.21 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.14 1iwa h TYR 32 Cb -0.03 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.22 1iwa h TYR 32 CO -0.00 0.09 0.52 0.52 -1.64 0.00 0.00 178.16 177.65 1iwa h MET 33 N -0.31 0.92 -0.54 1.82 2.86 -0.59 -1.40 114.93 117.70 1iwa h MET 33 Ca -0.01 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1iwa h MET 33 Cb 0.26 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1iwa h MET 33 CO 0.02 0.61 0.28 0.82 1.06 0.00 0.00 176.91 179.70 1iwa h ILE 34 N 0.95 1.19 0.00 -1.22 2.04 -0.32 -1.18 117.51 118.96 1iwa h ILE 34 Ca 0.37 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1iwa h ILE 34 Cb 0.17 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1iwa h ILE 34 CO -0.17 0.20 -0.12 0.77 0.00 0.00 0.00 178.15 178.83 1iwa h SER 35 N 0.72 0.00 -0.49 1.72 4.64 0.22 -1.30 113.55 119.07 1iwa h SER 35 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1iwa h SER 35 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1iwa h SER 35 CO -0.03 0.12 0.00 0.29 -0.87 0.00 0.00 176.83 176.35 1iwa n LYS 36 N -4.08 3.35 -3.99 4.77 5.02 -0.62 -4.93 118.16 117.69 1iwa n LYS 36 Ca -0.02 -2.26 -0.31 0.00 -2.02 0.00 0.00 58.31 53.69 1iwa n LYS 36 Cb 0.21 -1.84 0.01 0.00 -0.02 0.00 0.00 35.03 33.38 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 0.73 -4.64 -3.40 1.97 4.01 -0.49 -4.95 118.16 111.40 1iwa n LYS 37 Ca 0.20 0.52 -0.36 0.00 -0.51 0.00 0.00 58.31 58.16 1iwa n LYS 37 Cb 0.79 -5.28 -0.06 0.00 -0.51 0.00 0.00 35.03 29.97 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 4.41 -0.04 -0.35 1.43 -0.50 -4.86 118.68 111.55 1iwa s LEU 38 Ca 0.58 1.05 -0.29 0.00 -1.03 0.00 0.00 54.13 54.44 1iwa s LEU 38 Cb -0.30 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 1iwa s LEU 38 CO 0.86 0.19 0.95 0.00 0.23 0.00 0.00 176.35 178.59 1iwa s ALA 39 N -1.30 3.26 -0.11 4.21 0.00 -0.55 -4.72 121.76 122.53 1iwa s ALA 39 Ca 0.32 0.44 -0.04 0.00 0.00 0.00 0.00 51.96 52.68 1iwa s ALA 39 Cb -0.16 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1iwa s ALA 39 CO 0.18 -0.33 0.04 0.42 0.00 0.00 0.00 175.76 176.07 1iwa s ILE 40 N 1.30 4.65 0.13 0.00 1.01 -0.11 -1.16 121.20 127.01 1iwa s ILE 40 Ca 0.49 -0.11 -0.00 0.00 0.00 0.00 0.00 60.65 61.03 1iwa s ILE 40 Cb -0.20 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 1iwa s ILE 40 CO 0.24 0.58 0.02 -0.83 0.00 0.00 0.00 174.94 174.94 1iwa s GLY 41 N -0.62 0.95 -0.04 6.18 0.00 -0.87 0.15 107.32 113.07 1iwa s GLY 41 Ca 0.11 -1.45 0.05 0.00 0.00 0.00 0.00 44.72 43.43 1iwa s GLY 41 CO 0.02 -1.41 -0.19 -0.42 0.00 0.00 0.00 173.10 171.11 1iwa s ILE 42 N -3.89 1.54 0.06 0.90 1.01 -1.26 -1.78 121.20 117.77 1iwa s ILE 42 Ca 0.20 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 60.05 1iwa s ILE 42 Cb 0.07 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1iwa s ILE 42 CO -0.00 0.44 -0.04 -1.61 0.00 0.00 0.00 174.94 173.73 1iwa s GLU 43 N -0.15 0.64 0.06 2.79 2.02 -0.62 -0.53 118.70 122.90 1iwa s GLU 43 Ca 0.00 -1.19 -0.26 0.00 0.02 0.00 0.00 54.97 53.53 1iwa s GLU 43 Cb -0.10 0.09 0.07 0.00 0.10 0.00 0.00 34.13 34.28 1iwa s GLU 43 CO 0.01 -0.08 0.63 1.52 0.02 0.00 0.00 175.26 177.36 1iwa s TYR 44 N -3.61 -0.58 0.09 1.61 -0.85 -0.50 -0.48 117.35 113.04 1iwa s TYR 44 Ca 0.06 0.68 -0.26 0.00 -0.52 0.00 0.00 57.07 57.03 1iwa s TYR 44 Cb 0.06 0.47 0.08 0.00 0.38 0.00 0.00 41.96 42.95 1iwa s TYR 44 CO -0.08 -0.73 0.86 0.95 -1.52 0.00 0.00 175.55 175.04 1iwa s THR 45 N -2.54 0.00 -0.16 -3.49 -4.23 -1.00 -0.94 115.64 103.27 1iwa s THR 45 Ca -0.05 -0.30 0.14 0.00 -1.18 0.00 0.00 61.69 60.31 1iwa s THR 45 Cb -0.01 -1.41 0.37 0.00 1.34 0.00 0.00 72.50 72.80 1iwa s THR 45 CO -0.02 0.00 1.19 -0.46 -0.54 0.00 0.00 174.62 174.79 1iwa n ASN 46 N -0.35 1.75 -3.58 3.99 0.23 -1.26 -1.56 115.26 114.48 1iwa n ASN 46 Ca -0.09 -3.47 -0.27 0.00 -0.53 0.00 0.00 54.58 50.22 1iwa n ASN 46 Cb 0.62 -0.47 -0.10 0.00 -2.08 0.00 0.00 39.78 37.74 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 -1.03 1.23 -0.61 0.53 4.64 -1.26 -4.63 116.55 115.41 1iwa n ASP 47 Ca 0.16 -2.80 0.00 0.00 -1.38 0.00 0.00 54.79 50.78 1iwa n ASP 47 Cb 0.72 -0.65 0.00 0.00 -1.04 0.00 0.00 41.12 40.15 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 2.26 0.14 -1.67 5.18 -6.64 -1.26 -4.85 119.36 112.52 1iwa n ILE 48 Ca 0.25 0.00 -0.46 0.00 -1.77 0.00 0.00 62.75 60.77 1iwa n ILE 48 Cb 0.43 -0.42 -0.04 0.00 -1.44 0.00 0.00 39.64 38.16 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 0.30 2.30 0.22 4.28 -0.00 -1.26 -4.83 115.22 116.24 1iwa n HIS 49 Ca 0.00 0.24 0.18 0.00 0.46 0.00 0.00 57.72 58.60 1iwa n HIS 49 Cb 0.19 -2.56 0.85 0.00 -0.12 0.00 0.00 29.99 28.36 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 6.18 0.00 -0.42 1.57 0.13 -1.97 -0.24 132.00 137.25 1iwa h PRO 50 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1iwa h PRO 50 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1iwa h PRO 50 CO 0.89 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.20 1iwa n ARG 51 N -3.59 2.11 -2.71 0.86 5.12 -1.26 -4.67 116.66 112.53 1iwa n ARG 51 Ca 0.01 -1.72 -0.43 0.00 -1.93 0.00 0.00 57.85 53.79 1iwa n ARG 51 Cb 0.35 -1.40 -0.00 0.00 -1.16 0.00 0.00 32.46 30.25 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 -1.18 6.91 0.39 0.55 2.47 -0.10 -4.80 114.94 119.18 1iwa s ASN 64 Ca 0.34 -2.60 0.28 0.00 0.42 0.00 0.00 52.86 51.30 1iwa s ASN 64 Cb 0.18 -2.52 1.29 0.00 -1.45 0.00 0.00 41.25 38.75 1iwa s ASN 64 CO 0.25 -1.04 1.84 0.00 -3.72 0.00 0.00 177.10 174.43 1iwa h ALA 65 N 7.51 1.00 -3.13 1.71 0.00 -1.86 -3.38 119.26 121.10 1iwa h ALA 65 Ca 0.39 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.68 1iwa h ALA 65 Cb 0.88 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.26 1iwa h ALA 65 CO 1.38 0.00 -0.65 0.71 0.00 0.00 0.00 179.25 180.69 1iwa s TYR 66 N -3.55 2.99 0.71 0.00 2.02 -1.26 -5.09 117.35 113.17 1iwa s TYR 66 Ca 0.01 -3.06 -0.12 0.00 -0.37 0.00 0.00 57.07 53.53 1iwa s TYR 66 Cb 0.09 -2.49 0.02 0.00 -0.40 0.00 0.00 41.96 39.18 1iwa s TYR 66 CO 0.39 -0.68 1.08 -1.58 -1.57 0.00 0.00 175.55 173.19 1iwa s TRP 67 N -0.61 2.78 0.36 2.71 0.52 -1.26 -4.96 118.94 118.48 1iwa s TRP 67 Ca 0.21 1.51 -0.28 0.00 0.02 0.00 0.00 56.10 57.56 1iwa s TRP 67 Cb -0.15 -3.02 -0.10 0.00 -1.15 0.00 0.00 33.47 29.04 1iwa s TRP 67 CO -0.08 -1.54 1.39 -1.21 0.02 0.00 0.00 176.95 175.54 1iwa s GLU 68 N -4.69 4.18 -0.05 4.98 0.41 -0.11 -4.74 118.70 118.68 1iwa s GLU 68 Ca 0.62 2.38 -0.17 0.00 -0.41 0.00 0.00 54.97 57.39 1iwa s GLU 68 Cb -0.17 -2.98 -0.05 0.00 -1.78 0.00 0.00 34.13 29.15 1iwa s GLU 68 CO 0.51 -0.40 0.46 0.96 -0.49 0.00 0.00 175.26 176.30 1iwa s ILE 69 N -1.14 5.06 -0.97 -1.63 -4.36 -1.26 -1.41 121.20 115.48 1iwa s ILE 69 Ca 0.52 0.94 -0.18 0.00 -0.26 0.00 0.00 60.65 61.67 1iwa s ILE 69 Cb -0.43 -3.79 0.14 0.00 1.25 0.00 0.00 42.46 39.63 1iwa s ILE 69 CO 0.57 0.46 1.16 0.86 0.24 0.00 0.00 174.94 178.23 1iwa s TRP 70 N -0.27 3.19 0.00 1.37 -0.11 0.31 -4.93 118.94 118.50 1iwa s TRP 70 Ca 0.25 -1.52 0.00 0.00 1.22 0.00 0.00 56.10 56.06 1iwa s TRP 70 Cb -0.16 -4.28 0.00 0.00 -1.50 0.00 0.00 33.47 27.53 1iwa s TRP 70 CO 0.13 -1.46 0.00 0.41 -4.62 0.00 0.00 176.95 171.40 1iwa n GLY 71 N 5.26 -1.18 3.89 5.86 0.00 -1.26 -4.52 105.19 113.23 1iwa n GLY 71 Ca 0.26 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 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 3.40 0.41 0.99 2.96 -1.26 -4.93 118.68 120.25 1iwa s LEU 72 Ca 0.00 1.21 -0.23 0.00 -0.22 0.00 0.00 54.13 54.88 1iwa s LEU 72 Cb 0.00 -4.22 -0.09 0.00 0.50 0.00 0.00 46.19 42.38 1iwa s LEU 72 CO 0.00 -0.75 1.03 -2.16 -1.32 0.00 0.00 176.35 173.15 1iwa s PRO 73 N -4.99 4.14 -0.52 0.98 0.04 -1.26 -4.87 135.00 128.51 1iwa s PRO 73 Ca 0.52 1.45 -0.28 0.00 0.04 0.00 0.00 61.00 62.72 1iwa s PRO 73 Cb -0.11 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 31.99 1iwa s PRO 73 CO 0.50 -0.15 1.25 -0.51 0.04 0.00 0.00 177.00 178.13 1iwa s LEU 74 N -2.77 3.52 0.00 -3.56 1.02 0.38 -4.90 118.68 112.37 1iwa s LEU 74 Ca 0.59 0.37 0.00 0.00 0.02 0.00 0.00 54.13 55.11 1iwa s LEU 74 Cb -0.20 -3.33 0.00 0.00 0.02 0.00 0.00 46.19 42.68 1iwa s LEU 74 CO 0.25 -1.45 0.00 0.49 0.02 0.00 0.00 176.35 175.66 1iwa n PHE 75 N 8.52 0.00 -0.65 0.29 3.72 -1.26 -0.93 117.46 127.15 1iwa n PHE 75 Ca 0.12 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.25 1iwa n PHE 75 Cb 0.49 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.99 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 0.00 2.61 -4.69 4.37 8.00 -1.26 -4.58 116.55 121.00 1iwa n ASP 76 Ca 0.00 -2.37 -0.42 0.00 0.71 0.00 0.00 54.79 52.70 1iwa n ASP 76 Cb 0.00 -0.88 -0.03 0.00 -0.02 0.00 0.00 41.12 40.19 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 4.72 4.63 -0.09 2.53 1.01 -1.26 -4.93 120.40 127.00 1iwa s VAL 77 Ca 0.40 1.91 0.02 0.00 0.00 0.00 0.00 61.98 64.30 1iwa s VAL 77 Cb 0.10 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 1iwa s VAL 77 CO 0.07 0.03 -0.06 0.41 0.00 0.00 0.00 175.10 175.54 1iwa n THR 78 N 4.47 0.55 -3.58 3.92 -1.04 -1.26 -4.89 114.28 112.44 1iwa n THR 78 Ca 0.09 -0.23 -0.40 0.00 -2.04 0.00 0.00 64.05 61.46 1iwa n THR 78 Cb 0.48 -0.83 -0.11 0.00 -1.82 0.00 0.00 70.33 68.05 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 -4.74 5.81 0.48 8.00 2.15 -1.26 -4.97 116.67 122.14 1iwa s ASP 79 Ca -0.11 -0.76 0.23 0.00 0.43 0.00 0.00 52.55 52.34 1iwa s ASP 79 Cb 0.03 -2.06 1.27 0.00 -0.30 0.00 0.00 42.92 41.85 1iwa s ASP 79 CO 0.24 -0.32 1.90 1.55 -0.17 0.00 0.00 175.17 178.37 1iwa h PRO 80 N 8.46 0.20 -0.45 4.34 0.13 -1.93 0.12 132.00 142.86 1iwa h PRO 80 Ca -0.28 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.87 1iwa h PRO 80 Cb 1.13 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1iwa h PRO 80 CO 0.66 0.13 0.30 0.00 -0.23 0.00 0.00 178.00 178.86 1iwa h ALA 81 N 1.62 1.81 -0.71 -0.56 0.00 -1.95 0.11 119.26 119.57 1iwa h ALA 81 Ca 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1iwa h ALA 81 Cb 1.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1iwa h ALA 81 CO -0.08 0.14 0.40 0.00 0.00 0.00 0.00 179.25 179.71 1iwa h ALA 82 N 1.74 1.37 0.03 0.00 0.00 -1.18 0.15 119.26 121.36 1iwa h ALA 82 Ca 0.18 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1iwa h ALA 82 Cb 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1iwa h ALA 82 CO -0.05 0.52 -0.01 0.28 0.00 0.00 0.00 179.25 179.99 1iwa h VAL 83 N 0.98 1.44 -0.22 0.00 2.07 -1.07 -3.21 116.25 116.24 1iwa h VAL 83 Ca 0.25 -1.70 0.06 0.00 0.82 0.00 0.00 66.70 66.14 1iwa h VAL 83 Cb 0.00 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1iwa h VAL 83 CO -0.04 0.42 0.21 0.25 0.02 0.00 0.00 177.57 178.42 1iwa h LEU 84 N -0.81 0.00 0.52 2.57 7.12 -0.66 -1.47 115.31 122.58 1iwa h LEU 84 Ca -0.00 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.98 1iwa h LEU 84 Cb 0.71 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.85 1iwa h LEU 84 CO 0.01 0.00 -0.25 0.15 -0.13 0.00 0.00 178.44 178.21 1iwa h PHE 85 N 0.00 -0.65 -0.81 1.25 3.57 -0.72 -2.16 116.94 117.42 1iwa h PHE 85 Ca 0.10 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1iwa h PHE 85 Cb 0.52 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 1iwa h PHE 85 CO 0.00 -0.33 0.53 0.93 -2.23 0.00 0.00 178.31 177.22 1iwa h GLU 86 N -0.95 1.01 -0.49 1.11 4.39 -1.41 0.55 114.58 118.79 1iwa h GLU 86 Ca -0.07 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.61 1iwa h GLU 86 Cb 0.62 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 1iwa h GLU 86 CO 0.12 0.67 0.24 0.82 -1.16 0.00 0.00 179.01 179.70 1iwa h ILE 87 N 1.04 0.95 0.00 3.13 2.04 -1.20 0.16 117.51 123.63 1iwa h ILE 87 Ca 0.31 -0.16 -0.13 0.00 1.00 0.00 0.00 64.86 65.88 1iwa h ILE 87 Cb -0.03 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1iwa h ILE 87 CO -0.08 0.09 -0.60 0.78 0.00 0.00 0.00 178.15 178.33 1iwa h ASN 88 N 0.48 0.00 -0.49 1.72 4.21 -0.71 -1.30 115.58 119.49 1iwa h ASN 88 Ca 0.22 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.68 1iwa h ASN 88 Cb 0.14 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.32 1iwa h ASN 88 CO -0.16 0.60 0.13 0.00 -1.29 0.00 0.00 177.43 176.71 1iwa h ALA 89 N 1.40 0.64 -0.16 -0.83 0.00 -0.11 -0.47 119.26 119.73 1iwa h ALA 89 Ca -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1iwa h ALA 89 Cb 1.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1iwa h ALA 89 CO 0.08 0.33 -0.01 0.00 0.00 0.00 0.00 179.25 179.64 1iwa h ARG 91 N 0.02 0.24 -0.55 0.00 3.08 -1.09 0.57 114.38 116.65 1iwa h ARG 91 Ca 0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1iwa h ARG 91 Cb 0.41 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1iwa h ARG 91 CO 0.01 0.16 0.29 -0.22 -1.07 0.00 0.00 179.97 179.14 1iwa h LYS 92 N 0.25 0.75 0.00 0.04 3.11 -0.91 0.32 116.57 120.13 1iwa h LYS 92 Ca 0.28 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 58.04 1iwa h LYS 92 Cb 0.38 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 1iwa h LYS 92 CO -0.35 0.56 -0.60 0.00 -2.81 0.00 0.00 179.45 176.24 1iwa n ALA 93 N -2.45 3.20 -2.68 5.00 0.00 -0.21 -4.24 120.51 119.12 1iwa n ALA 93 Ca 0.05 -0.30 -0.08 0.00 0.00 0.00 0.00 53.44 53.11 1iwa n ALA 93 Cb 0.10 -1.14 0.03 0.00 0.00 0.00 0.00 19.45 18.45 1iwa n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iwa n ARG 94 N -1.85 1.69 -0.23 0.00 5.12 0.18 -4.99 116.66 116.58 1iwa n ARG 94 Ca 0.04 -3.50 -0.06 0.00 -1.93 0.00 0.00 57.85 52.40 1iwa n ARG 94 Cb 0.40 -1.52 -0.05 0.00 -1.16 0.00 0.00 32.46 30.12 1iwa n ARG 94 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1iwa n SER 95 N -0.34 -0.58 -2.38 0.55 7.64 0.07 -1.54 113.62 117.04 1iwa n SER 95 Ca 0.13 1.07 -0.28 0.00 1.01 0.00 0.00 58.87 60.79 1iwa n SER 95 Cb 0.81 -0.17 0.02 0.00 -1.01 0.00 0.00 64.21 63.85 1iwa n SER 95 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1iwa n ASN 96 N -4.49 6.95 -4.33 6.43 6.94 -1.26 -4.72 115.26 120.79 1iwa n ASN 96 Ca 0.01 -3.42 -0.17 0.00 -0.02 0.00 0.00 54.58 50.98 1iwa n ASN 96 Cb 0.14 -1.10 -0.10 0.00 -2.36 0.00 0.00 39.78 36.36 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 -2.66 1.60 0.22 -2.53 0.40 -0.59 -4.72 117.98 109.69 1iwa s PHE 97 Ca 0.51 -0.65 -0.27 0.00 -0.60 0.00 0.00 56.93 55.92 1iwa s PHE 97 Cb 0.38 -0.79 -0.09 0.00 0.51 0.00 0.00 43.02 43.04 1iwa s PHE 97 CO -0.16 0.25 0.86 0.71 0.70 0.00 0.00 175.22 177.59 1iwa s TYR 98 N -3.10 3.91 -0.01 0.36 1.51 -0.60 -4.10 117.35 115.32 1iwa s TYR 98 Ca 0.22 1.76 0.03 0.00 -1.01 0.00 0.00 57.07 58.08 1iwa s TYR 98 Cb 0.01 -2.87 -0.01 0.00 -0.11 0.00 0.00 41.96 38.98 1iwa s TYR 98 CO 0.06 0.45 -0.11 0.42 -1.11 0.00 0.00 175.55 175.26 1iwa s ILE 99 N -1.23 0.90 0.07 2.71 1.01 0.14 -2.39 121.20 122.42 1iwa s ILE 99 Ca 0.40 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.57 1iwa s ILE 99 Cb -0.24 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 1iwa s ILE 99 CO 0.28 0.26 -0.05 -1.59 0.00 0.00 0.00 174.94 173.84 1iwa s LYS 100 N -0.21 0.71 -0.14 2.79 -2.85 0.37 0.15 119.74 120.57 1iwa s LYS 100 Ca 0.03 -1.22 0.01 0.00 -1.00 0.00 0.00 55.97 53.80 1iwa s LYS 100 Cb -0.05 -0.05 -0.00 0.00 -2.06 0.00 0.00 37.83 35.67 1iwa s LYS 100 CO -0.00 -0.05 -0.18 0.08 0.10 0.00 0.00 175.35 175.30 1iwa s VAL 101 N -3.47 2.48 -0.03 1.79 1.01 -0.04 -1.59 120.40 120.54 1iwa s VAL 101 Ca 0.07 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1iwa s VAL 101 Cb 0.04 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1iwa s VAL 101 CO -0.06 0.53 -0.14 -0.69 0.00 0.00 0.00 175.10 174.74 1iwa s VAL 102 N 0.69 3.06 -0.27 2.92 1.01 -0.74 -2.00 120.40 125.07 1iwa s VAL 102 Ca -0.08 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1iwa s VAL 102 Cb -0.16 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.02 1iwa s VAL 102 CO 0.02 0.53 -0.01 -0.83 0.00 0.00 0.00 175.10 174.81 1iwa s GLY 103 N -0.91 1.69 -0.09 4.51 0.00 0.22 -2.06 107.32 110.68 1iwa s GLY 103 Ca 0.13 -1.52 -0.04 0.00 0.00 0.00 0.00 44.72 43.28 1iwa s GLY 103 CO 0.02 0.59 0.08 -0.12 0.00 0.00 0.00 173.10 173.67 1iwa s PHE 104 N 1.36 3.39 -0.08 1.90 5.36 -0.31 -0.75 117.98 128.85 1iwa s PHE 104 Ca -0.00 0.36 0.03 0.00 -0.96 0.00 0.00 56.93 56.36 1iwa s PHE 104 Cb -0.17 -1.86 -0.01 0.00 -0.34 0.00 0.00 43.02 40.63 1iwa s PHE 104 CO -0.02 0.61 -0.18 0.45 -1.46 0.00 0.00 175.22 174.62 1iwa s SER 105 N -1.06 3.61 0.00 6.13 0.15 -0.11 -1.48 113.70 120.94 1iwa s SER 105 Ca 0.15 -0.38 0.24 0.00 0.70 0.00 0.00 55.95 56.66 1iwa s SER 105 Cb -0.12 -1.13 0.33 0.00 -1.71 0.00 0.00 66.02 63.39 1iwa s SER 105 CO 0.05 0.24 1.35 -1.20 1.20 0.00 0.00 173.24 174.87 1iwa n SER 106 N 3.02 3.30 -4.65 5.45 7.64 -1.26 -1.94 113.62 125.18 1iwa n SER 106 Ca -0.18 -2.00 -0.42 0.00 1.01 0.00 0.00 58.87 57.28 1iwa n SER 106 Cb 0.52 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 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 1.45 2.30 -0.25 0.44 0.31 -1.26 -4.57 118.33 116.75 1iwa n VAL 107 Ca 0.17 -0.50 0.02 0.00 -0.01 0.00 0.00 64.34 64.02 1iwa n VAL 107 Cb 0.61 -1.32 0.09 0.00 -0.91 0.00 0.00 33.84 32.31 1iwa n VAL 107 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1iwa h ARG 107 N 1.96 0.02 -0.03 5.55 2.43 -2.02 -1.44 114.38 120.85 1iwa h ARG 107 Ca -0.45 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.62 1iwa h ARG 107 Cb 1.32 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 1iwa h ARG 107 CO 0.59 0.01 -0.45 0.78 -1.51 0.00 0.00 179.97 179.40 1iwa h GLY 107 N 0.02 0.08 0.00 2.80 0.00 -1.98 -3.39 103.07 100.60 1iwa h GLY 107 Ca 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1iwa h GLY 107 CO -0.72 0.07 -0.42 1.39 0.00 0.00 0.00 176.54 176.86 1iwa n ILE 108 N -4.00 0.97 -4.23 2.60 -0.00 -0.78 -4.97 119.36 108.95 1iwa n ILE 108 Ca -0.02 0.30 -0.30 0.00 -0.00 0.00 0.00 62.75 62.74 1iwa n ILE 108 Cb 0.48 -2.09 -0.09 0.00 -0.00 0.00 0.00 39.64 37.93 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 -3.84 -0.94 -3.75 0.38 1.02 -0.61 -4.86 120.64 108.05 1iwa n GLU 109 Ca -0.06 0.09 -0.07 0.00 -0.02 0.00 0.00 57.16 57.09 1iwa n GLU 109 Cb 0.22 -3.42 0.03 0.00 -0.02 0.00 0.00 31.44 28.24 1iwa n GLU 109 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1iwa n SER 110 N -2.71 -2.14 -4.75 1.62 2.88 -0.82 -4.95 113.62 102.76 1iwa n SER 110 Ca -0.30 -2.41 -0.40 0.00 -1.33 0.00 0.00 58.87 54.43 1iwa n SER 110 Cb 0.66 3.54 -0.04 0.00 -0.75 0.00 0.00 64.21 67.61 1iwa n SER 110 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1iwa s THR 111 N -2.10 3.69 0.00 2.46 2.01 -1.26 -0.93 115.64 119.50 1iwa s THR 111 Ca 0.17 1.61 0.00 0.00 0.31 0.00 0.00 61.69 63.78 1iwa s THR 111 Cb -0.04 -4.02 0.00 0.00 0.01 0.00 0.00 72.50 68.44 1iwa s THR 111 CO 0.10 0.35 0.93 2.30 -0.69 0.00 0.00 174.62 177.61 1iwa n ILE 112 N 1.65 0.86 -3.64 1.82 -5.35 0.07 -4.93 119.36 109.84 1iwa n ILE 112 Ca 0.00 -0.89 -0.05 0.00 -0.27 0.00 0.00 62.75 61.54 1iwa n ILE 112 Cb 0.45 0.57 -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 -0.86 0.00 -0.28 7.28 2.07 -1.24 -4.98 121.20 123.18 1iwa s ILE 113 Ca 0.00 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.24 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 0.53 -0.55 -1.91 0.00 0.00 174.94 173.01 1iwa s SER 114 N 0.25 -0.90 0.15 4.50 0.15 -1.26 -0.61 113.70 115.98 1iwa s SER 114 Ca 0.04 0.53 0.08 0.00 0.70 0.00 0.00 55.95 57.30 1iwa s SER 114 Cb -0.05 1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 66.04 1iwa s SER 114 CO -0.11 -0.28 -0.19 0.72 1.20 0.00 0.00 173.24 174.58 1iwa s PHE 115 N 2.76 1.82 -0.01 3.44 -0.71 -0.85 0.01 117.98 124.45 1iwa s PHE 115 Ca 0.17 -0.46 -0.30 0.00 -1.04 0.00 0.00 56.93 55.30 1iwa s PHE 115 Cb -0.14 -0.92 -0.03 0.00 -1.21 0.00 0.00 43.02 40.71 1iwa s PHE 115 CO -0.21 0.31 0.97 0.42 -1.34 0.00 0.00 175.22 175.37 1iwa s ILE 116 N -1.88 4.87 -0.07 -4.49 -1.09 -1.26 -0.86 121.20 116.42 1iwa s ILE 116 Ca 0.14 2.04 0.10 0.00 -2.23 0.00 0.00 60.65 60.70 1iwa s ILE 116 Cb -0.06 -4.31 0.16 0.00 -1.58 0.00 0.00 42.46 36.66 1iwa s ILE 116 CO 0.06 0.16 1.06 1.33 -1.23 0.00 0.00 174.94 176.32 1iwa n VAL 117 N 3.93 1.38 -3.53 2.92 0.24 0.12 -4.70 118.33 118.69 1iwa n VAL 117 Ca 0.06 -1.59 0.03 0.00 -2.04 0.00 0.00 64.34 60.80 1iwa n VAL 117 Cb 0.51 0.11 -0.06 0.00 -1.47 0.00 0.00 33.84 32.94 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 -1.99 -0.04 0.08 -1.34 3.84 -1.15 -4.85 114.94 109.49 1iwa s ASN 118 Ca 0.18 0.06 0.06 0.00 0.21 0.00 0.00 52.86 53.37 1iwa s ASN 118 Cb 0.15 1.03 -0.03 0.00 -0.55 0.00 0.00 41.25 41.85 1iwa s ASN 118 CO 0.02 -0.01 -0.15 -0.13 -2.79 0.00 0.00 177.10 174.03 1iwa s ARG 119 N 1.28 0.89 0.85 0.43 0.52 -1.26 -0.68 118.95 120.98 1iwa s ARG 119 Ca -0.06 -1.02 -0.11 0.00 -0.52 0.00 0.00 55.73 54.02 1iwa s ARG 119 Cb -0.02 -0.94 0.10 0.00 0.52 0.00 0.00 34.95 34.62 1iwa s ARG 119 CO -0.11 0.21 1.09 -1.25 0.02 0.00 0.00 175.30 175.26 1iwa s PRO 120 N -1.86 1.66 0.28 3.54 0.04 -1.26 -4.84 135.00 132.56 1iwa s PRO 120 Ca 0.01 0.91 0.03 0.00 0.04 0.00 0.00 61.00 61.98 1iwa s PRO 120 Cb -0.09 -1.85 0.64 0.00 0.04 0.00 0.00 34.50 33.24 1iwa s PRO 120 CO 0.03 -1.99 1.77 0.87 0.04 0.00 0.00 177.00 177.72 1iwa h LYS 121 N -1.37 0.68 -3.29 4.56 1.57 -1.91 -3.42 116.57 113.39 1iwa h LYS 121 Ca -0.47 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.06 1iwa h LYS 121 Cb 1.27 -0.15 -0.28 0.00 0.08 0.00 0.00 32.23 33.14 1iwa h LYS 121 CO 0.54 0.45 -0.55 -1.58 -0.57 0.00 0.00 179.45 177.75 1iwa s HIS 122 N -5.91 -0.19 -0.28 -1.35 5.04 -1.26 -5.14 115.29 106.20 1iwa s HIS 122 Ca -0.12 0.48 -0.00 0.00 -1.54 0.00 0.00 55.06 53.88 1iwa s HIS 122 Cb 0.24 0.02 0.05 0.00 0.04 0.00 0.00 32.58 32.92 1iwa s HIS 122 CO 0.79 -0.12 -0.04 -2.00 -2.34 0.00 0.00 174.74 171.03 1iwa s GLU 123 N 0.49 2.43 0.35 2.88 2.56 -1.26 -4.92 118.70 121.23 1iwa s GLU 123 Ca -0.03 -1.25 0.04 0.00 0.00 0.00 0.00 54.97 53.72 1iwa s GLU 123 Cb -0.05 -3.07 0.63 0.00 2.00 0.00 0.00 34.13 33.64 1iwa s GLU 123 CO -0.02 -0.58 1.93 -1.35 -0.56 0.00 0.00 175.26 174.68 1iwa h PRO 124 N 7.94 0.63 0.00 4.30 0.11 -2.01 -2.74 132.00 140.22 1iwa h PRO 124 Ca -0.22 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1iwa h PRO 124 Cb 1.06 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1iwa h PRO 124 CO 0.52 0.54 0.00 0.41 -0.21 0.00 0.00 178.00 179.26 1iwa n GLY 125 N -1.10 -1.34 3.59 -0.55 0.00 -1.26 -4.61 105.19 99.91 1iwa n GLY 125 Ca 0.03 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.74 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 2.53 0.06 1.61 0.40 -1.26 -1.83 117.98 119.49 1iwa s PHE 126 Ca 0.00 -0.31 0.03 0.00 -0.60 0.00 0.00 56.93 56.04 1iwa s PHE 126 Cb 0.00 -1.22 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 1iwa s PHE 126 CO 0.00 0.61 0.06 1.21 0.70 0.00 0.00 175.22 177.80 1iwa s ASN 127 N -3.64 5.41 -0.20 1.36 2.47 0.18 -4.87 114.94 115.65 1iwa s ASN 127 Ca 0.32 -0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.58 1iwa s ASN 127 Cb -0.04 -1.43 0.05 0.00 -1.45 0.00 0.00 41.25 38.37 1iwa s ASN 127 CO 0.18 0.19 -0.07 -0.22 -3.72 0.00 0.00 177.10 173.47 1iwa s LEU 128 N -2.22 2.07 0.10 3.21 2.96 -1.26 -1.70 118.68 121.85 1iwa s LEU 128 Ca 0.27 -0.88 -0.17 0.00 -0.22 0.00 0.00 54.13 53.13 1iwa s LEU 128 Cb -0.12 -1.08 -0.07 0.00 0.50 0.00 0.00 46.19 45.42 1iwa s LEU 128 CO 0.19 -0.19 0.55 -0.04 -1.32 0.00 0.00 176.35 175.54 1iwa s MET 129 N 1.50 4.08 -0.54 1.98 -1.94 0.76 -4.92 119.30 120.22 1iwa s MET 129 Ca -0.02 0.61 0.04 0.00 -1.71 0.00 0.00 55.69 54.61 1iwa s MET 129 Cb -0.17 -3.10 0.14 0.00 2.01 0.00 0.00 34.83 33.72 1iwa s MET 129 CO -0.08 0.57 0.31 1.03 -0.01 0.00 0.00 175.02 176.85 1iwa s ARG 130 N -1.49 1.88 -0.27 2.03 0.52 -1.26 -2.34 118.95 118.02 1iwa s ARG 130 Ca 0.33 -2.62 -0.26 0.00 -0.52 0.00 0.00 55.73 52.66 1iwa s ARG 130 Cb -0.17 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.27 1iwa s ARG 130 CO 0.19 -1.17 0.89 -1.14 0.02 0.00 0.00 175.30 174.08 1iwa s GLN 131 N -0.39 4.11 -0.11 3.54 0.74 -0.88 -4.92 119.66 121.74 1iwa s GLN 131 Ca 0.20 0.92 -0.30 0.00 0.05 0.00 0.00 55.36 56.23 1iwa s GLN 131 Cb -0.20 -3.68 -0.02 0.00 1.10 0.00 0.00 33.01 30.21 1iwa s GLN 131 CO -0.04 -0.65 1.21 -1.21 -0.55 0.00 0.00 175.29 174.05 1iwa s GLU 132 N 3.07 4.30 0.00 1.67 2.02 -1.26 -0.91 118.70 127.58 1iwa s GLU 132 Ca 0.37 1.64 0.00 0.00 0.02 0.00 0.00 54.97 57.01 1iwa s GLU 132 Cb -0.14 -3.65 0.00 0.00 0.10 0.00 0.00 34.13 30.43 1iwa s GLU 132 CO 0.10 -0.57 0.00 -3.47 0.02 0.00 0.00 175.26 171.34 1iwa n ASP 133 N 5.87 0.00 -4.75 -0.19 2.03 -0.03 -4.95 116.55 114.52 1iwa n ASP 133 Ca 0.12 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.02 1iwa n ASP 133 Cb 0.46 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.84 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 4.68 4.18 3.61 -0.67 1.02 -1.26 -4.67 119.74 126.63 1iwa s LYS 134 Ca 0.00 2.46 0.00 0.00 0.02 0.00 0.00 55.97 58.45 1iwa s LYS 134 Cb 0.00 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1iwa s LYS 134 CO 0.00 -0.54 0.00 0.43 -0.92 0.00 0.00 175.35 174.32 1iwa n SER 135 N 2.18 0.00 -1.01 2.83 7.64 -1.26 -1.28 113.62 122.71 1iwa n SER 135 Ca 0.07 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.06 1iwa n SER 135 Cb 0.39 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.75 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 10.59 2.29 -2.45 1.43 3.00 -1.26 -4.99 116.66 125.26 1iwa n ARG 136 Ca 0.00 -2.08 -0.36 0.00 -0.01 0.00 0.00 57.85 55.40 1iwa n ARG 136 Cb 0.00 -1.46 -0.03 0.00 0.00 0.00 0.00 32.46 30.98 1iwa n ARG 136 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1iwa s SER 137 N -1.51 6.37 -0.01 0.55 0.01 -0.41 -4.93 113.70 113.76 1iwa s SER 137 Ca 0.33 2.07 0.03 0.00 1.31 0.00 0.00 55.95 59.69 1iwa s SER 137 Cb 0.20 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.85 1iwa s SER 137 CO 0.29 -0.77 -0.11 -0.63 0.41 0.00 0.00 173.24 172.43 1iwa s ILE 138 N -1.76 0.87 -0.37 1.44 1.01 -1.26 -0.85 121.20 120.28 1iwa s ILE 138 Ca 0.64 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.70 1iwa s ILE 138 Cb -0.22 -0.74 -0.00 0.00 0.01 0.00 0.00 42.46 41.51 1iwa s ILE 138 CO 0.26 0.25 0.26 -0.54 0.00 0.00 0.00 174.94 175.18 1iwa s LYS 139 N -0.12 3.27 0.35 2.79 -0.14 -0.09 -4.94 119.74 120.86 1iwa s LYS 139 Ca 0.02 -0.81 -0.09 0.00 -1.36 0.00 0.00 55.97 53.73 1iwa s LYS 139 Cb -0.06 -3.86 -0.06 0.00 -1.68 0.00 0.00 37.83 32.17 1iwa s LYS 139 CO -0.00 -0.57 0.69 0.71 -0.76 0.00 0.00 175.35 175.42 1iwa s TYR 140 N 1.70 3.46 -0.08 3.18 1.51 -1.26 -2.08 117.35 123.78 1iwa s TYR 140 Ca 0.05 0.93 -0.03 0.00 -1.01 0.00 0.00 57.07 57.02 1iwa s TYR 140 Cb -0.18 -2.34 0.04 0.00 -0.11 0.00 0.00 41.96 39.37 1iwa s TYR 140 CO 0.10 0.02 0.15 0.99 -1.11 0.00 0.00 175.55 175.70 1iwa s THR 141 N -2.21 -0.22 -0.13 -0.71 2.01 -0.99 -4.95 115.64 108.43 1iwa s THR 141 Ca 0.49 0.34 -0.05 0.00 0.31 0.00 0.00 61.69 62.78 1iwa s THR 141 Cb -0.10 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 1iwa s THR 141 CO 0.29 0.14 0.05 -0.63 -0.69 0.00 0.00 174.62 173.78 1iwa s ILE 142 N 2.12 4.69 -0.16 1.82 1.01 -1.26 -0.17 121.20 129.25 1iwa s ILE 142 Ca 0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.48 1iwa s ILE 142 Cb -0.12 -3.04 0.06 0.00 0.01 0.00 0.00 42.46 39.37 1iwa s ILE 142 CO -0.06 0.56 0.40 -2.28 0.00 0.00 0.00 174.94 173.56 1iwa s HIS 143 N -0.44 -0.57 0.37 3.97 2.46 -0.69 -4.97 115.29 115.43 1iwa s HIS 143 Ca 0.09 1.23 -0.26 0.00 0.47 0.00 0.00 55.06 56.59 1iwa s HIS 143 Cb -0.12 0.24 -0.09 0.00 -0.13 0.00 0.00 32.58 32.48 1iwa s HIS 143 CO 0.02 -0.32 1.18 -1.54 -2.47 0.00 0.00 174.74 171.61 1iwa s SER 144 N 1.28 6.68 0.35 9.88 1.04 -1.26 0.49 113.70 132.15 1iwa s SER 144 Ca -0.09 2.40 0.05 0.00 0.48 0.00 0.00 55.95 58.79 1iwa s SER 144 Cb -0.08 -2.62 0.65 0.00 0.10 0.00 0.00 66.02 64.06 1iwa s SER 144 CO -0.11 -0.57 1.91 1.88 0.98 0.00 0.00 173.24 177.33 1iwa h TYR 145 N 2.95 0.55 0.00 5.02 -1.99 -1.70 -1.71 116.97 120.09 1iwa h TYR 145 Ca -0.48 -0.04 -0.06 0.00 2.00 0.00 0.00 58.73 60.15 1iwa h TYR 145 Cb 1.23 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.79 1iwa h TYR 145 CO 0.56 0.50 -0.27 0.93 -0.00 0.00 0.00 178.16 179.87 1iwa h GLU 146 N 0.53 0.00 0.00 4.88 4.39 -1.91 -2.25 114.58 120.22 1iwa h GLU 146 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1iwa h GLU 146 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1iwa h GLU 146 CO 0.00 0.27 0.00 0.43 -1.16 0.00 0.00 179.01 178.55 1iwa n SER 147 N -3.86 0.00 -0.32 1.42 7.64 -0.65 -1.18 113.62 116.68 1iwa n SER 147 Ca -0.02 0.25 0.10 0.00 1.01 0.00 0.00 58.87 60.21 1iwa n SER 147 Cb 0.36 -0.38 0.44 0.00 -1.01 0.00 0.00 64.21 63.62 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 -1.38 0.12 -4.36 1.43 4.02 -0.85 -4.79 117.16 111.35 1iwa n TYR 148 Ca 0.06 -0.06 -0.27 0.00 -0.01 0.00 0.00 57.90 57.62 1iwa n TYR 148 Cb 0.16 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.36 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 -1.88 1.32 0.69 -0.72 1.02 -0.33 -5.12 119.74 114.72 1iwa s LYS 149 Ca 0.30 -1.31 -0.16 0.00 0.02 0.00 0.00 55.97 54.81 1iwa s LYS 149 Cb 0.15 -1.72 0.01 0.00 -0.52 0.00 0.00 37.83 35.76 1iwa s LYS 149 CO 0.24 0.40 1.22 -1.25 -0.92 0.00 0.00 175.35 175.04 1iwa s PRO 150 N -2.11 2.40 0.32 -1.68 0.04 -1.26 -4.82 135.00 127.90 1iwa s PRO 150 Ca 0.12 1.81 0.10 0.00 0.04 0.00 0.00 61.00 63.07 1iwa s PRO 150 Cb -0.10 -1.86 0.92 0.00 0.04 0.00 0.00 34.50 33.51 1iwa s PRO 150 CO 0.06 -1.64 1.68 0.93 0.04 0.00 0.00 177.00 178.07 1iwa h GLU 151 N 0.10 0.37 0.00 4.56 5.08 -1.95 -0.93 114.58 121.81 1iwa h GLU 151 Ca -0.49 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1iwa h GLU 151 Cb 1.30 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1iwa h GLU 151 CO 0.52 0.25 0.00 -0.40 -1.00 0.00 0.00 179.01 178.37 1iwa n ASP 152 N -5.04 0.00 -0.43 1.42 5.75 -1.26 -2.61 116.55 114.38 1iwa n ASP 152 Ca 0.27 0.33 0.04 0.00 -0.01 0.00 0.00 54.79 55.42 1iwa n ASP 152 Cb 0.83 -0.42 0.10 0.00 -1.03 0.00 0.00 41.12 40.59 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 -1.42 2.73 -2.92 0.11 1.02 -0.36 -5.02 120.64 114.77 1iwa n GLU 153 Ca 0.06 -1.82 -0.40 0.00 -0.02 0.00 0.00 57.16 54.98 1iwa n GLU 153 Cb 0.19 -1.18 -0.06 0.00 -0.02 0.00 0.00 31.44 30.37 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 -0.98 4.63 0.00 3.49 0.52 -1.07 -4.93 118.95 120.61 1iwa s ARG 154 Ca 0.15 1.24 0.00 0.00 -0.52 0.00 0.00 55.73 56.60 1iwa s ARG 154 Cb 0.08 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.27 1iwa s ARG 154 CO 0.11 0.51 0.00 0.66 0.02 0.00 0.00 175.30 176.60