#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iw2 s SER 11 N 0.00 6.64 0.34 0.00 1.04 -1.26 -4.91 113.70 115.55 1iw2 s SER 11 Ca 0.00 2.64 0.06 0.00 0.48 0.00 0.00 55.95 59.14 1iw2 s SER 11 Cb 0.00 -2.61 0.73 0.00 0.10 0.00 0.00 66.02 64.24 1iw2 s SER 11 CO 0.00 -0.73 1.87 -0.65 0.98 0.00 0.00 173.24 174.71 1iw2 h PRO 12 N 5.52 0.76 0.00 4.02 0.11 -2.00 -1.94 132.00 138.47 1iw2 h PRO 12 Ca -0.45 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1iw2 h PRO 12 Cb 1.21 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1iw2 h PRO 12 CO 0.81 0.50 -0.27 0.97 -0.21 0.00 0.00 178.00 179.81 1iw2 h ILE 13 N 0.79 0.81 0.00 4.15 2.10 -1.93 -2.78 117.51 120.64 1iw2 h ILE 13 Ca 0.44 -1.08 0.00 0.00 1.08 0.00 0.00 64.86 65.30 1iw2 h ILE 13 Cb 0.60 1.66 0.00 0.00 -1.09 0.00 0.00 36.82 37.99 1iw2 h ILE 13 CO -0.21 0.26 0.00 0.77 -1.08 0.00 0.00 178.15 177.90 1iw2 h SER 14 N 0.00 0.00 1.17 2.19 4.64 -1.73 -1.35 113.55 118.47 1iw2 h SER 14 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iw2 h SER 14 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1iw2 h SER 14 CO 0.03 0.00 -0.33 0.71 -0.87 0.00 0.00 176.83 176.38 1iw2 h THR 15 N 0.00 0.00 -3.40 2.95 1.35 -1.61 -3.45 112.91 108.74 1iw2 h THR 15 Ca 0.00 -0.50 -0.55 0.00 -0.55 0.00 0.00 66.41 64.81 1iw2 h THR 15 Cb 0.18 1.28 -0.04 0.00 -1.73 0.00 0.00 68.15 67.85 1iw2 h THR 15 CO 0.00 0.00 0.21 -0.63 -0.25 0.00 0.00 175.52 174.85 1iw2 s ILE 16 N -3.14 4.89 -0.06 6.82 1.09 -0.51 -5.03 121.20 125.27 1iw2 s ILE 16 Ca 0.08 1.71 -0.28 0.00 -1.10 0.00 0.00 60.65 61.07 1iw2 s ILE 16 Cb 0.13 -4.16 -0.03 0.00 -1.06 0.00 0.00 42.46 37.34 1iw2 s ILE 16 CO 0.66 0.25 0.90 -1.10 -0.10 0.00 0.00 174.94 175.55 1iw2 s GLN 17 N 0.64 4.47 0.73 2.79 -1.52 -1.26 -5.05 119.66 120.46 1iw2 s GLN 17 Ca 0.43 1.23 -0.11 0.00 -1.95 0.00 0.00 55.36 54.96 1iw2 s GLN 17 Cb -0.20 -3.49 0.03 0.00 -0.22 0.00 0.00 33.01 29.13 1iw2 s GLN 17 CO 0.23 -0.11 1.07 -1.25 -0.25 0.00 0.00 175.29 174.98 1iw2 s PRO 18 N 1.31 2.64 0.09 2.91 0.04 -1.26 -4.53 135.00 136.19 1iw2 s PRO 18 Ca 0.46 0.79 -0.34 0.00 0.04 0.00 0.00 61.00 61.96 1iw2 s PRO 18 Cb -0.19 -1.97 -0.13 0.00 0.04 0.00 0.00 34.50 32.25 1iw2 s PRO 18 CO 0.21 -1.27 1.69 1.17 0.04 0.00 0.00 177.00 178.84 1iw2 n LYS 19 N -3.22 2.21 -1.73 4.56 3.00 0.82 -4.87 118.16 118.94 1iw2 n LYS 19 Ca 0.07 0.80 -0.42 0.00 -0.00 0.00 0.00 58.31 58.77 1iw2 n LYS 19 Cb 0.55 -2.60 -0.03 0.00 0.00 0.00 0.00 35.03 32.94 1iw2 n LYS 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iw2 s ALA 20 N 1.95 3.84 -1.46 3.14 0.00 -1.26 -2.24 121.76 125.73 1iw2 s ALA 20 Ca 0.83 1.51 -0.12 0.00 0.00 0.00 0.00 51.96 54.18 1iw2 s ALA 20 Cb -0.67 -3.73 0.05 0.00 0.00 0.00 0.00 23.12 18.78 1iw2 s ALA 20 CO 0.42 -1.08 1.06 0.09 0.00 0.00 0.00 175.76 176.24 1iw2 n ASN 21 N 4.89 -5.53 -4.57 0.00 3.02 -1.26 -4.84 115.26 106.96 1iw2 n ASN 21 Ca 0.17 -0.66 -0.55 0.00 -0.03 0.00 0.00 54.58 53.51 1iw2 n ASN 21 Cb 0.37 -4.39 -0.07 0.00 -0.61 0.00 0.00 39.78 35.08 1iw2 n ASN 21 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1iw2 n PHE 22 N -4.82 1.27 -3.94 3.10 -0.00 -0.95 -4.93 117.46 107.19 1iw2 n PHE 22 Ca 0.03 0.78 -0.33 0.00 -0.00 0.00 0.00 57.45 57.93 1iw2 n PHE 22 Cb 0.54 -2.26 -0.14 0.00 -0.00 0.00 0.00 39.48 37.62 1iw2 n PHE 22 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1iw2 s ASP 23 N 0.59 4.87 0.43 -2.13 3.68 -1.26 -4.79 116.67 118.06 1iw2 s ASP 23 Ca 0.88 -1.88 0.15 0.00 2.13 0.00 0.00 52.55 53.83 1iw2 s ASP 23 Cb -1.08 -1.68 1.04 0.00 -1.45 0.00 0.00 42.92 39.74 1iw2 s ASP 23 CO 0.52 -0.38 1.95 0.00 0.13 0.00 0.00 175.17 177.40 1iw2 h ALA 24 N 7.81 2.06 -0.74 3.66 0.00 -1.97 -1.41 119.26 128.67 1iw2 h ALA 24 Ca -0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1iw2 h ALA 24 Cb 1.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1iw2 h ALA 24 CO 0.56 -0.22 0.35 1.96 0.00 0.00 0.00 179.25 181.90 1iw2 h GLN 25 N 0.41 1.07 0.00 0.00 1.08 -1.98 -0.90 115.11 114.80 1iw2 h GLN 25 Ca 0.32 -0.16 -0.07 0.00 -1.45 0.00 0.00 58.65 57.29 1iw2 h GLN 25 Cb 0.68 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1iw2 h GLN 25 CO -0.09 0.84 -0.34 1.96 -0.95 0.00 0.00 178.83 180.24 1iw2 h GLN 26 N 1.04 0.00 0.00 1.46 4.20 -1.72 -3.16 115.11 116.93 1iw2 h GLN 26 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1iw2 h GLN 26 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1iw2 h GLN 26 CO -0.03 0.34 -0.18 0.34 -0.67 0.00 0.00 178.83 178.64 1iw2 n PHE 27 N -3.22 0.40 -1.04 2.96 -0.00 -0.72 -4.82 117.46 111.02 1iw2 n PHE 27 Ca 0.02 0.12 -0.33 0.00 -0.00 0.00 0.00 57.45 57.26 1iw2 n PHE 27 Cb 0.64 -0.64 0.13 0.00 -0.00 0.00 0.00 39.48 39.61 1iw2 n PHE 27 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1iw2 n ALA 28 N -1.65 -0.12 0.00 3.13 0.00 -0.39 -4.85 120.51 116.63 1iw2 n ALA 28 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1iw2 n ALA 28 Cb 0.39 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1iw2 n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iw2 n GLY 29 N 0.50 -0.70 3.77 0.00 0.00 -0.13 -4.92 105.19 103.71 1iw2 n GLY 29 Ca 0.13 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 1iw2 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iw2 s THR 30 N 0.00 5.09 -0.01 2.61 2.01 -1.26 -0.60 115.64 123.49 1iw2 s THR 30 Ca 0.00 0.92 0.05 0.00 0.31 0.00 0.00 61.69 62.97 1iw2 s THR 30 Cb 0.00 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1iw2 s THR 30 CO 0.00 0.44 -0.15 0.26 -0.69 0.00 0.00 174.62 174.48 1iw2 s TRP 31 N -0.14 1.33 -0.14 4.92 0.52 -0.01 -4.70 118.94 120.72 1iw2 s TRP 31 Ca 0.25 -0.26 -0.04 0.00 0.02 0.00 0.00 56.10 56.06 1iw2 s TRP 31 Cb -0.16 -0.85 -0.03 0.00 -1.15 0.00 0.00 33.47 31.28 1iw2 s TRP 31 CO 0.12 -0.01 0.00 -0.51 0.02 0.00 0.00 176.95 176.57 1iw2 s LEU 32 N -0.44 3.50 -0.18 2.99 1.43 0.80 -0.17 118.68 126.61 1iw2 s LEU 32 Ca 0.05 0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.87 1iw2 s LEU 32 Cb -0.06 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 1iw2 s LEU 32 CO -0.00 0.23 1.08 -0.22 0.23 0.00 0.00 176.35 177.66 1iw2 s LEU 33 N 0.03 4.16 -0.24 1.79 2.96 -0.64 -0.65 118.68 126.09 1iw2 s LEU 33 Ca 0.03 1.49 -0.18 0.00 -0.22 0.00 0.00 54.13 55.25 1iw2 s LEU 33 Cb -0.13 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.87 1iw2 s LEU 33 CO 0.02 -0.63 -0.09 0.52 -1.32 0.00 0.00 176.35 174.85 1iw2 n VAL 34 N 5.12 1.53 -3.51 1.68 0.31 0.05 -4.68 118.33 118.83 1iw2 n VAL 34 Ca 0.12 -0.19 -0.11 0.00 -0.01 0.00 0.00 64.34 64.14 1iw2 n VAL 34 Cb 0.46 -1.98 -0.02 0.00 -0.91 0.00 0.00 33.84 31.39 1iw2 n VAL 34 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1iw2 s ALA 35 N -2.45 -1.43 -0.03 3.52 0.00 -1.19 -1.40 121.76 118.77 1iw2 s ALA 35 Ca -0.33 0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1iw2 s ALA 35 Cb 0.10 0.86 0.03 0.00 0.00 0.00 0.00 23.12 24.10 1iw2 s ALA 35 CO 0.53 -0.78 -0.01 0.08 0.00 0.00 0.00 175.76 175.59 1iw2 s VAL 36 N -3.78 0.25 -0.30 0.00 1.01 -0.24 -1.20 120.40 116.14 1iw2 s VAL 36 Ca 0.03 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 1iw2 s VAL 36 Cb -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 1iw2 s VAL 36 CO -0.11 0.16 0.20 -0.83 0.00 0.00 0.00 175.10 174.53 1iw2 s GLY 37 N 1.02 1.93 0.03 4.51 0.00 0.16 -0.57 107.32 114.39 1iw2 s GLY 37 Ca -0.10 -1.23 -0.23 0.00 0.00 0.00 0.00 44.72 43.17 1iw2 s GLY 37 CO -0.01 0.70 0.52 -0.45 0.00 0.00 0.00 173.10 173.85 1iw2 s SER 38 N 1.73 -0.44 0.01 1.64 0.15 -0.11 -0.94 113.70 115.73 1iw2 s SER 38 Ca 0.06 0.22 0.22 0.00 0.70 0.00 0.00 55.95 57.16 1iw2 s SER 38 Cb -0.17 0.48 -0.07 0.00 -1.71 0.00 0.00 66.02 64.55 1iw2 s SER 38 CO 0.10 -0.69 0.97 0.00 1.20 0.00 0.00 173.24 174.82 1iw2 n ALA 39 N 0.53 4.16 -1.00 5.45 0.00 -1.26 -4.72 120.51 123.67 1iw2 n ALA 39 Ca -0.19 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1iw2 n ALA 39 Cb 0.60 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1iw2 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iw2 n GLY 40 N 1.46 -0.96 3.65 0.00 0.00 -1.26 -5.16 105.19 102.92 1iw2 n GLY 40 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1iw2 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1iw2 s ARG 49 N 0.00 4.07 0.05 1.61 3.52 -1.26 -5.18 118.95 121.76 1iw2 s ARG 49 Ca 0.00 1.89 -0.30 0.00 -0.13 0.00 0.00 55.73 57.19 1iw2 s ARG 49 Cb 0.00 -3.95 -0.08 0.00 -1.56 0.00 0.00 34.95 29.36 1iw2 s ARG 49 CO 0.00 -0.96 1.67 0.00 -0.81 0.00 0.00 175.30 175.20 1iw2 s ALA 50 N 4.29 3.67 0.09 6.12 0.00 -1.26 -5.00 121.76 129.67 1iw2 s ALA 50 Ca 0.68 1.17 0.01 0.00 0.00 0.00 0.00 51.96 53.83 1iw2 s ALA 50 Cb -0.28 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 1iw2 s ALA 50 CO 0.26 -1.17 0.20 -1.21 0.00 0.00 0.00 175.76 173.84 1iw2 s GLU 51 N 2.94 3.31 -0.04 0.00 0.41 -1.26 -4.56 118.70 119.50 1iw2 s GLU 51 Ca 0.75 -0.55 -0.32 0.00 -0.41 0.00 0.00 54.97 54.44 1iw2 s GLU 51 Cb -0.39 -2.94 -0.10 0.00 -1.78 0.00 0.00 34.13 28.92 1iw2 s GLU 51 CO 0.32 0.57 1.96 0.00 -0.49 0.00 0.00 175.26 177.62 1iw2 n ALA 52 N 0.05 1.26 -2.82 5.21 0.00 -1.26 -4.66 120.51 118.28 1iw2 n ALA 52 Ca -0.06 0.21 -0.32 0.00 0.00 0.00 0.00 53.44 53.27 1iw2 n ALA 52 Cb 0.52 -2.61 -0.15 0.00 0.00 0.00 0.00 19.45 17.21 1iw2 n ALA 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1iw2 s THR 53 N 4.59 2.55 0.03 0.00 2.01 -1.26 -3.21 115.64 120.35 1iw2 s THR 53 Ca 0.92 -0.88 0.07 0.00 0.31 0.00 0.00 61.69 62.11 1iw2 s THR 53 Cb -0.56 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 1iw2 s THR 53 CO 0.46 0.56 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.86 1iw2 s THR 54 N -0.09 1.66 -0.02 -0.82 2.01 -0.26 -1.62 115.64 116.49 1iw2 s THR 54 Ca -0.04 -1.12 0.07 0.00 0.31 0.00 0.00 61.69 60.91 1iw2 s THR 54 Cb -0.14 -1.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.92 1iw2 s THR 54 CO 0.04 0.27 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.25 1iw2 s LEU 55 N -1.00 2.21 -0.22 4.42 1.02 0.76 -0.57 118.68 125.29 1iw2 s LEU 55 Ca 0.08 -0.41 0.02 0.00 0.02 0.00 0.00 54.13 53.83 1iw2 s LEU 55 Cb -0.09 -1.39 0.04 0.00 0.02 0.00 0.00 46.19 44.78 1iw2 s LEU 55 CO 0.01 0.32 -0.13 -1.00 0.02 0.00 0.00 176.35 175.58 1iw2 s HIS 56 N -0.64 2.80 -0.11 0.29 3.76 -0.31 -0.83 115.29 120.24 1iw2 s HIS 56 Ca 0.10 -1.87 -0.02 0.00 -0.15 0.00 0.00 55.06 53.13 1iw2 s HIS 56 Cb -0.10 -1.81 -0.03 0.00 1.11 0.00 0.00 32.58 31.75 1iw2 s HIS 56 CO -0.01 -0.81 -0.05 0.08 -0.85 0.00 0.00 174.74 173.11 1iw2 s VAL 57 N 1.27 3.83 -0.04 -0.90 1.01 0.23 -1.73 120.40 124.08 1iw2 s VAL 57 Ca -0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1iw2 s VAL 57 Cb -0.17 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.62 1iw2 s VAL 57 CO -0.08 0.55 0.05 0.00 0.00 0.00 0.00 175.10 175.62 1iw2 s ALA 58 N -0.26 0.20 0.43 5.51 0.00 -0.33 -0.96 121.76 126.35 1iw2 s ALA 58 Ca 0.04 0.21 -0.25 0.00 0.00 0.00 0.00 51.96 51.96 1iw2 s ALA 58 Cb -0.13 -0.52 -0.09 0.00 0.00 0.00 0.00 23.12 22.38 1iw2 s ALA 58 CO 0.02 -0.38 1.34 -2.30 0.00 0.00 0.00 175.76 174.44 1iw2 n PRO 59 N 4.97 2.06 -3.41 0.00 -0.02 -1.26 0.27 135.00 137.61 1iw2 n PRO 59 Ca -0.10 0.73 -0.25 0.00 -2.02 0.00 0.00 63.50 61.86 1iw2 n PRO 59 Cb 0.50 -2.48 -0.10 0.00 -0.02 0.00 0.00 33.50 31.40 1iw2 n PRO 59 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1iw2 s GLN 60 N -2.30 0.63 7.07 -0.52 0.74 0.24 -4.72 119.66 120.80 1iw2 s GLN 60 Ca 0.61 -1.31 0.00 0.00 0.05 0.00 0.00 55.36 54.71 1iw2 s GLN 60 Cb -0.48 -1.13 0.00 0.00 1.10 0.00 0.00 33.01 32.49 1iw2 s GLN 60 CO 0.58 -1.24 0.00 0.41 -0.55 0.00 0.00 175.29 174.49 1iw2 n GLY 61 N 3.89 1.95 0.50 2.59 0.00 -1.26 -1.39 105.19 111.47 1iw2 n GLY 61 Ca 0.15 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.88 1iw2 n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iw2 n THR 62 N 0.00 0.00 -2.96 2.61 -2.24 -1.26 -4.93 114.28 105.50 1iw2 n THR 62 Ca 0.00 -0.26 -0.21 0.00 -2.27 0.00 0.00 64.05 61.31 1iw2 n THR 62 Cb 0.00 0.99 0.08 0.00 -2.10 0.00 0.00 70.33 69.30 1iw2 n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iw2 s ALA 63 N -2.36 4.55 -0.06 6.98 0.00 -0.49 -4.54 121.76 125.84 1iw2 s ALA 63 Ca 0.24 -2.14 0.01 0.00 0.00 0.00 0.00 51.96 50.07 1iw2 s ALA 63 Cb 0.19 -1.53 0.02 0.00 0.00 0.00 0.00 23.12 21.80 1iw2 s ALA 63 CO 0.49 -1.05 -0.08 -1.64 0.00 0.00 0.00 175.76 173.48 1iw2 s MET 64 N -4.79 1.33 -0.11 0.00 1.00 -0.58 -0.59 119.30 115.55 1iw2 s MET 64 Ca 0.64 -0.27 -0.28 0.00 0.00 0.00 0.00 55.69 55.78 1iw2 s MET 64 Cb -0.05 -1.21 -0.02 0.00 0.00 0.00 0.00 34.83 33.55 1iw2 s MET 64 CO 0.41 -0.06 0.93 0.00 0.00 0.00 0.00 175.02 176.30 1iw2 s ALA 65 N 0.93 3.41 -0.12 3.03 0.00 0.14 -0.58 121.76 128.57 1iw2 s ALA 65 Ca -0.10 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.14 1iw2 s ALA 65 Cb -0.15 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1iw2 s ALA 65 CO 0.01 -0.55 -0.14 0.08 0.00 0.00 0.00 175.76 175.16 1iw2 s VAL 66 N 1.88 1.45 -0.12 0.00 1.01 0.05 -1.19 120.40 123.48 1iw2 s VAL 66 Ca 0.45 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 1iw2 s VAL 66 Cb -0.18 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1iw2 s VAL 66 CO 0.17 0.43 -0.05 -0.44 0.00 0.00 0.00 175.10 175.21 1iw2 s SER 67 N 1.29 4.73 -0.13 3.32 0.01 -0.70 -0.26 113.70 121.96 1iw2 s SER 67 Ca -0.00 -0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.18 1iw2 s SER 67 Cb -0.14 -1.54 -0.01 0.00 0.21 0.00 0.00 66.02 64.54 1iw2 s SER 67 CO -0.06 0.25 -0.16 -0.89 0.41 0.00 0.00 173.24 172.79 1iw2 s THR 68 N -0.14 2.75 -0.14 1.44 2.01 0.11 -1.17 115.64 120.51 1iw2 s THR 68 Ca 0.02 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.25 1iw2 s THR 68 Cb -0.13 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 1iw2 s THR 68 CO 0.03 0.53 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.00 1iw2 s PHE 69 N 0.41 2.82 -0.02 4.92 0.40 0.26 -1.21 117.98 125.55 1iw2 s PHE 69 Ca -0.12 -0.71 0.03 0.00 -0.60 0.00 0.00 56.93 55.53 1iw2 s PHE 69 Cb -0.16 -1.87 0.00 0.00 0.51 0.00 0.00 43.02 41.50 1iw2 s PHE 69 CO 0.06 -0.26 -0.10 1.03 0.70 0.00 0.00 175.22 176.65 1iw2 s ARG 70 N 0.47 0.97 -0.41 0.44 0.52 -0.74 -1.10 118.95 119.11 1iw2 s ARG 70 Ca -0.09 -0.34 -0.20 0.00 -0.52 0.00 0.00 55.73 54.58 1iw2 s ARG 70 Cb -0.16 -0.91 0.02 0.00 0.52 0.00 0.00 34.95 34.42 1iw2 s ARG 70 CO 0.04 0.15 0.63 0.21 0.02 0.00 0.00 175.30 176.35 1iw2 s LYS 71 N 0.08 3.41 -0.28 3.54 2.47 -1.20 -0.73 119.74 127.03 1iw2 s LYS 71 Ca -0.01 -0.25 -0.03 0.00 -1.56 0.00 0.00 55.97 54.12 1iw2 s LYS 71 Cb -0.08 -3.90 0.03 0.00 -1.46 0.00 0.00 37.83 32.42 1iw2 s LYS 71 CO 0.00 -0.91 -0.01 -0.51 0.16 0.00 0.00 175.35 174.09 1iw2 s LEU 72 N 2.75 3.57 -1.36 5.43 1.43 0.13 -4.52 118.68 126.11 1iw2 s LEU 72 Ca 0.23 -0.95 -0.05 0.00 -1.03 0.00 0.00 54.13 52.32 1iw2 s LEU 72 Cb -0.14 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1iw2 s LEU 72 CO 0.17 -0.19 0.46 0.47 0.23 0.00 0.00 176.35 177.50 1iw2 n ASP 73 N 4.71 -1.20 0.00 2.29 8.00 -1.26 -0.46 116.55 128.62 1iw2 n ASP 73 Ca -0.15 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1iw2 n ASP 73 Cb 0.46 -2.95 0.00 0.00 -0.02 0.00 0.00 41.12 38.61 1iw2 n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iw2 n GLY 74 N -1.98 2.76 3.65 0.44 0.00 -1.26 -4.99 105.19 103.81 1iw2 n GLY 74 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1iw2 n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iw2 s ILE 75 N -2.43 4.74 -0.14 -0.61 -1.09 0.39 -5.08 121.20 116.98 1iw2 s ILE 75 Ca 0.00 -0.06 -0.23 0.00 -2.23 0.00 0.00 60.65 58.13 1iw2 s ILE 75 Cb 0.00 -3.11 -0.03 0.00 -1.58 0.00 0.00 42.46 37.74 1iw2 s ILE 75 CO 0.00 0.49 0.73 0.00 -1.23 0.00 0.00 174.94 174.92 1iw2 s TRP 77 N 1.55 2.80 -0.02 0.00 0.52 0.09 -4.56 118.94 119.31 1iw2 s TRP 77 Ca 0.35 -0.12 0.03 0.00 0.02 0.00 0.00 56.10 56.38 1iw2 s TRP 77 Cb -0.17 -1.46 -0.00 0.00 -1.15 0.00 0.00 33.47 30.69 1iw2 s TRP 77 CO 0.14 0.44 -0.11 -1.14 0.02 0.00 0.00 176.95 176.29 1iw2 s GLN 78 N -2.19 1.09 -0.11 4.98 0.74 -0.14 -1.78 119.66 122.25 1iw2 s GLN 78 Ca 0.22 -0.40 0.01 0.00 0.05 0.00 0.00 55.36 55.24 1iw2 s GLN 78 Cb -0.11 -1.01 0.02 0.00 1.10 0.00 0.00 33.01 33.00 1iw2 s GLN 78 CO 0.14 0.19 -0.13 0.08 -0.55 0.00 0.00 175.29 175.02 1iw2 s VAL 79 N -0.02 1.35 -0.21 1.34 1.01 -0.35 -0.40 120.40 123.12 1iw2 s VAL 79 Ca -0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 1iw2 s VAL 79 Cb -0.07 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1iw2 s VAL 79 CO 0.00 0.41 0.14 -0.13 0.00 0.00 0.00 175.10 175.53 1iw2 s ARG 80 N 1.12 4.17 0.16 2.72 0.52 0.41 -0.71 118.95 127.34 1iw2 s ARG 80 Ca -0.05 -0.22 -0.00 0.00 -0.52 0.00 0.00 55.73 54.94 1iw2 s ARG 80 Cb -0.14 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 1iw2 s ARG 80 CO -0.03 0.24 0.06 -0.65 0.02 0.00 0.00 175.30 174.94 1iw2 s GLN 81 N 0.52 1.04 -0.18 3.54 -0.21 0.64 -0.44 119.66 124.57 1iw2 s GLN 81 Ca 0.08 -1.51 0.01 0.00 0.02 0.00 0.00 55.36 53.96 1iw2 s GLN 81 Cb -0.12 0.11 0.03 0.00 1.00 0.00 0.00 33.01 34.03 1iw2 s GLN 81 CO -0.00 -0.26 -0.13 -1.17 -2.12 0.00 0.00 175.29 171.60 1iw2 s LEU 82 N -3.11 2.12 -0.70 2.90 2.96 -1.26 -0.77 118.68 120.82 1iw2 s LEU 82 Ca 0.27 -0.74 -0.23 0.00 -0.22 0.00 0.00 54.13 53.22 1iw2 s LEU 82 Cb 0.07 -1.28 0.06 0.00 0.50 0.00 0.00 46.19 45.55 1iw2 s LEU 82 CO 0.05 -0.09 1.06 -0.31 -1.32 0.00 0.00 176.35 175.73 1iw2 s TYR 83 N 1.39 2.61 0.46 5.38 1.51 0.25 -4.44 117.35 124.51 1iw2 s TYR 83 Ca 0.02 -0.50 -0.22 0.00 -1.01 0.00 0.00 57.07 55.36 1iw2 s TYR 83 Cb -0.15 -4.38 -0.08 0.00 -0.11 0.00 0.00 41.96 37.25 1iw2 s TYR 83 CO -0.10 -1.74 1.09 0.20 -1.11 0.00 0.00 175.55 173.89 1iw2 s GLY 84 N 3.73 2.68 -0.12 0.71 0.00 -0.32 -1.53 107.32 112.48 1iw2 s GLY 84 Ca 0.26 0.77 -0.29 0.00 0.00 0.00 0.00 44.72 45.46 1iw2 s GLY 84 CO 0.10 1.17 1.02 -0.35 0.00 0.00 0.00 173.10 175.04 1iw2 s ASP 85 N -1.62 7.22 -0.02 1.64 2.15 -1.26 -0.20 116.67 124.57 1iw2 s ASP 85 Ca 0.64 1.52 0.18 0.00 0.43 0.00 0.00 52.55 55.32 1iw2 s ASP 85 Cb -0.23 -2.55 0.56 0.00 -0.30 0.00 0.00 42.92 40.40 1iw2 s ASP 85 CO 0.28 -0.49 1.46 0.35 -0.17 0.00 0.00 175.17 176.61 1iw2 n THR 86 N 4.67 0.98 0.00 1.71 -2.24 -1.13 -4.90 114.28 113.37 1iw2 n THR 86 Ca 0.09 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1iw2 n THR 86 Cb 0.48 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1iw2 n THR 86 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iw2 n GLY 87 N 1.38 2.62 3.62 3.38 0.00 -1.26 -5.04 105.19 109.89 1iw2 n GLY 87 Ca 0.21 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1iw2 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iw2 s VAL 88 N -1.84 4.98 0.05 1.61 1.01 -1.26 -5.04 120.40 119.90 1iw2 s VAL 88 Ca 0.00 0.05 -0.34 0.00 0.00 0.00 0.00 61.98 61.68 1iw2 s VAL 88 Cb 0.00 -3.29 -0.13 0.00 0.00 0.00 0.00 36.38 32.95 1iw2 s VAL 88 CO 0.00 0.39 1.67 0.18 0.00 0.00 0.00 175.10 177.35 1iw2 n LEU 89 N 4.06 3.08 0.00 3.92 4.77 -1.26 -1.24 117.00 130.33 1iw2 n LEU 89 Ca -0.16 1.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.87 1iw2 n LEU 89 Cb 0.52 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1iw2 n LEU 89 CO 0.35 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1iw2 n GLY 90 N 3.73 0.53 3.51 -0.72 0.00 -1.26 -4.64 105.19 106.34 1iw2 n GLY 90 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1iw2 n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iw2 s ARG 91 N -0.82 3.71 0.34 1.61 0.52 -0.37 -1.07 118.95 122.85 1iw2 s ARG 91 Ca 0.00 -0.50 0.03 0.00 -0.52 0.00 0.00 55.73 54.74 1iw2 s ARG 91 Cb 0.00 -2.95 -0.05 0.00 0.52 0.00 0.00 34.95 32.47 1iw2 s ARG 91 CO 0.00 0.24 0.09 -0.06 0.02 0.00 0.00 175.30 175.59 1iw2 s PHE 92 N 0.38 1.80 -0.05 -0.53 0.40 0.14 -2.82 117.98 117.30 1iw2 s PHE 92 Ca -0.03 -1.13 -0.00 0.00 -0.60 0.00 0.00 56.93 55.17 1iw2 s PHE 92 Cb -0.14 -1.15 0.03 0.00 0.51 0.00 0.00 43.02 42.27 1iw2 s PHE 92 CO 0.03 -0.18 -0.01 -1.17 0.70 0.00 0.00 175.22 174.59 1iw2 s LEU 93 N -3.48 0.91 -0.51 -0.37 2.96 0.72 -1.18 118.68 117.73 1iw2 s LEU 93 Ca 0.33 -0.07 -0.19 0.00 -0.22 0.00 0.00 54.13 53.98 1iw2 s LEU 93 Cb 0.06 -0.37 0.06 0.00 0.50 0.00 0.00 46.19 46.45 1iw2 s LEU 93 CO 0.15 -0.14 0.62 -0.22 -1.32 0.00 0.00 176.35 175.45 1iw2 s LEU 94 N 1.46 4.99 -0.05 -0.68 2.96 0.15 -1.17 118.68 126.34 1iw2 s LEU 94 Ca -0.03 -0.93 -0.29 0.00 -0.22 0.00 0.00 54.13 52.66 1iw2 s LEU 94 Cb -0.13 -2.44 -0.14 0.00 0.50 0.00 0.00 46.19 43.98 1iw2 s LEU 94 CO -0.03 -0.90 0.81 0.00 -1.32 0.00 0.00 176.35 174.92 1iw2 n GLN 95 N 6.16 0.00 -1.54 1.98 1.13 -1.26 -1.53 117.38 122.32 1iw2 n GLN 95 Ca -0.07 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.61 1iw2 n GLN 95 Cb 0.45 -1.06 -0.05 0.00 0.11 0.00 0.00 30.24 29.69 1iw2 n GLN 95 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1iw2 n ALA 96 N 1.31 0.79 0.00 -1.58 0.00 -1.26 -4.68 120.51 115.08 1iw2 n ALA 96 Ca 0.15 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1iw2 n ALA 96 Cb 0.04 -3.03 0.00 0.00 0.00 0.00 0.00 19.45 16.47 1iw2 n ALA 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1iw2 n ARG 97 N 8.88 0.00 0.00 0.00 0.63 -1.17 -4.75 116.66 120.26 1iw2 n ARG 97 Ca 0.41 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 1iw2 n ARG 97 Cb 0.45 -1.53 0.00 0.00 0.45 0.00 0.00 32.46 31.83 1iw2 n ARG 97 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1iw2 n GLY 98 N -0.98 2.69 3.11 5.14 0.00 -1.26 -4.83 105.19 109.06 1iw2 n GLY 98 Ca 0.00 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 1iw2 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iw2 s ALA 99 N 0.00 3.55 0.00 4.61 0.00 -1.26 -4.89 121.76 123.77 1iw2 s ALA 99 Ca 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 51.96 48.81 1iw2 s ALA 99 Cb 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1iw2 s ALA 99 CO 0.00 -2.07 0.00 -2.13 0.00 0.00 0.00 175.76 171.56 1iw2 n ARG 100 N 3.69 0.00 -0.72 0.00 0.63 -1.26 -5.11 116.66 113.88 1iw2 n ARG 100 Ca 0.06 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.67 1iw2 n ARG 100 Cb 0.39 0.00 0.15 0.00 0.45 0.00 0.00 32.46 33.45 1iw2 n ARG 100 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1iw2 n GLY 101 N 0.97 -2.36 3.77 5.14 0.00 -1.26 -3.04 105.19 108.41 1iw2 n GLY 101 Ca 0.00 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 1iw2 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iw2 s ALA 102 N -2.29 2.85 -0.21 4.61 0.00 -1.26 -4.46 121.76 121.00 1iw2 s ALA 102 Ca 0.56 0.95 0.01 0.00 0.00 0.00 0.00 51.96 53.47 1iw2 s ALA 102 Cb -0.15 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.60 1iw2 s ALA 102 CO 0.67 -0.79 -0.15 0.08 0.00 0.00 0.00 175.76 175.57 1iw2 s VAL 103 N -1.59 2.30 0.09 0.00 1.01 -0.58 -4.47 120.40 117.16 1iw2 s VAL 103 Ca 0.68 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 1iw2 s VAL 103 Cb -0.28 -2.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.95 1iw2 s VAL 103 CO 0.34 0.37 0.54 -1.00 0.00 0.00 0.00 175.10 175.34 1iw2 s HIS 104 N 1.27 3.73 -0.00 5.22 3.76 -0.80 0.30 115.29 128.77 1iw2 s HIS 104 Ca 0.02 1.16 0.03 0.00 -0.15 0.00 0.00 55.06 56.11 1iw2 s HIS 104 Cb -0.15 -2.42 -0.01 0.00 1.11 0.00 0.00 32.58 31.11 1iw2 s HIS 104 CO -0.09 0.54 -0.09 0.08 -0.85 0.00 0.00 174.74 174.33 1iw2 s VAL 105 N -1.23 0.71 -0.04 -0.90 1.01 -0.32 -1.12 120.40 118.51 1iw2 s VAL 105 Ca 0.31 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1iw2 s VAL 105 Cb -0.17 -0.61 0.03 0.00 0.00 0.00 0.00 36.38 35.62 1iw2 s VAL 105 CO 0.18 0.17 -0.01 -0.69 0.00 0.00 0.00 175.10 174.74 1iw2 s VAL 106 N -0.28 0.31 -0.57 2.92 1.01 -0.48 0.28 120.40 123.59 1iw2 s VAL 106 Ca 0.03 0.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.81 1iw2 s VAL 106 Cb -0.04 -0.39 0.06 0.00 0.00 0.00 0.00 36.38 36.01 1iw2 s VAL 106 CO -0.00 0.18 0.82 -0.69 0.00 0.00 0.00 175.10 175.41 1iw2 s VAL 107 N 1.06 4.57 -0.10 2.92 1.01 -0.23 -1.13 120.40 128.50 1iw2 s VAL 107 Ca -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1iw2 s VAL 107 Cb -0.14 -4.50 -0.02 0.00 0.00 0.00 0.00 36.38 31.73 1iw2 s VAL 107 CO -0.01 -1.11 0.08 0.00 0.00 0.00 0.00 175.10 174.05 1iw2 h ALA 108 N 9.27 -0.03 -3.97 5.51 0.00 -1.47 0.23 119.26 128.81 1iw2 h ALA 108 Ca -0.28 -0.03 -0.43 0.00 0.00 0.00 0.00 54.91 54.17 1iw2 h ALA 108 Cb 1.08 0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.59 1iw2 h ALA 108 CO 1.08 -0.03 -0.79 -1.21 0.00 0.00 0.00 179.25 178.30 1iw2 s GLU 109 N -1.69 0.92 -0.17 0.00 2.02 -1.18 -2.02 118.70 116.58 1iw2 s GLU 109 Ca -0.01 -0.35 -0.30 0.00 0.02 0.00 0.00 54.97 54.32 1iw2 s GLU 109 Cb -0.00 -0.87 0.14 0.00 0.10 0.00 0.00 34.13 33.49 1iw2 s GLU 109 CO 0.05 0.18 1.06 -0.08 0.02 0.00 0.00 175.26 176.49 1iw2 s THR 110 N -0.06 0.00 -1.04 3.63 -1.32 -1.26 -0.23 115.64 115.36 1iw2 s THR 110 Ca 0.01 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.59 1iw2 s THR 110 Cb -0.06 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.09 1iw2 s THR 110 CO 0.00 0.00 1.00 -0.90 -2.21 0.00 0.00 174.62 172.51 1iw2 n ASP 111 N 0.60 2.27 0.00 8.08 3.85 -1.18 -4.98 116.55 125.20 1iw2 n ASP 111 Ca -0.08 -1.68 0.00 0.00 -0.71 0.00 0.00 54.79 52.33 1iw2 n ASP 111 Cb 0.58 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 40.26 1iw2 n ASP 111 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 1iw2 n TYR 112 N 0.48 0.00 0.72 2.11 4.02 -1.26 -4.61 117.16 118.63 1iw2 n TYR 112 Ca 0.08 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.07 1iw2 n TYR 112 Cb 0.32 -0.07 -0.07 0.00 -0.02 0.00 0.00 39.34 39.50 1iw2 n TYR 112 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1iw2 n GLN 113 N -0.33 0.18 0.00 -0.72 6.02 -1.26 -4.82 117.38 116.45 1iw2 n GLN 113 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1iw2 n GLN 113 Cb 0.00 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.74 1iw2 n GLN 113 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1iw2 n SER 114 N -1.74 0.00 -4.01 1.08 3.41 -1.26 -4.75 113.62 106.35 1iw2 n SER 114 Ca 0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.54 1iw2 n SER 114 Cb 0.40 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.26 1iw2 n SER 114 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1iw2 s PHE 115 N -1.00 0.47 -0.19 7.33 -0.12 -1.26 -0.73 117.98 122.48 1iw2 s PHE 115 Ca 0.00 -0.90 -0.14 0.00 -0.05 0.00 0.00 56.93 55.84 1iw2 s PHE 115 Cb 0.00 -0.23 0.06 0.00 -0.63 0.00 0.00 43.02 42.21 1iw2 s PHE 115 CO 0.00 -0.55 0.49 0.00 -0.05 0.00 0.00 175.22 175.11 1iw2 s ALA 116 N -3.95 -1.25 -0.24 1.99 0.00 -0.07 -3.09 121.76 115.14 1iw2 s ALA 116 Ca 0.13 1.59 -0.02 0.00 0.00 0.00 0.00 51.96 53.66 1iw2 s ALA 116 Cb 0.06 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.25 1iw2 s ALA 116 CO -0.05 -0.27 -0.06 0.08 0.00 0.00 0.00 175.76 175.47 1iw2 s VAL 117 N 0.87 3.00 0.10 0.00 1.01 0.68 -0.24 120.40 125.82 1iw2 s VAL 117 Ca -0.05 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.11 1iw2 s VAL 117 Cb -0.05 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1iw2 s VAL 117 CO -0.07 0.25 -0.12 -0.76 0.00 0.00 0.00 175.10 174.40 1iw2 s LEU 118 N 1.37 2.96 -0.01 3.92 1.02 0.01 -1.39 118.68 126.56 1iw2 s LEU 118 Ca 0.02 -0.41 0.07 0.00 0.02 0.00 0.00 54.13 53.82 1iw2 s LEU 118 Cb -0.16 -1.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.26 1iw2 s LEU 118 CO -0.04 0.19 -0.21 -0.31 0.02 0.00 0.00 176.35 175.99 1iw2 s TYR 119 N -1.18 2.48 0.07 0.29 1.51 -0.29 -0.03 117.35 120.22 1iw2 s TYR 119 Ca 0.20 -0.32 0.06 0.00 -1.01 0.00 0.00 57.07 56.01 1iw2 s TYR 119 Cb -0.11 -1.52 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 1iw2 s TYR 119 CO 0.12 0.11 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.99 1iw2 s LEU 120 N -0.90 2.26 -0.07 -1.29 1.02 -0.07 -1.38 118.68 118.25 1iw2 s LEU 120 Ca 0.12 -0.60 0.00 0.00 0.02 0.00 0.00 54.13 53.67 1iw2 s LEU 120 Cb -0.10 -0.69 0.02 0.00 0.02 0.00 0.00 46.19 45.44 1iw2 s LEU 120 CO 0.01 0.01 -0.05 -0.70 0.02 0.00 0.00 176.35 175.64 1iw2 s GLU 121 N -1.64 1.01 -0.08 1.70 2.12 -0.27 -0.37 118.70 121.16 1iw2 s GLU 121 Ca 0.02 -0.11 -0.01 0.00 0.36 0.00 0.00 54.97 55.23 1iw2 s GLU 121 Cb -0.10 -1.08 0.03 0.00 0.26 0.00 0.00 34.13 33.24 1iw2 s GLU 121 CO 0.03 -0.16 -0.03 1.03 -0.54 0.00 0.00 175.26 175.58 1iw2 s ARG 122 N 1.31 0.97 -1.33 4.30 0.52 -0.64 -1.90 118.95 122.18 1iw2 s ARG 122 Ca -0.04 -0.04 -0.02 0.00 -0.52 0.00 0.00 55.73 55.11 1iw2 s ARG 122 Cb -0.14 -1.19 0.01 0.00 0.52 0.00 0.00 34.95 34.15 1iw2 s ARG 122 CO -0.02 -0.27 0.75 0.00 0.02 0.00 0.00 175.30 175.77 1iw2 n ALA 123 N 4.99 -1.92 -0.41 2.13 0.00 -1.26 -1.62 120.51 122.41 1iw2 n ALA 123 Ca -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1iw2 n ALA 123 Cb 0.50 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1iw2 n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iw2 n GLY 124 N -1.58 1.16 3.66 0.00 0.00 -1.26 -4.98 105.19 102.18 1iw2 n GLY 124 Ca -0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 1iw2 n GLY 124 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iw2 s GLN 125 N -0.21 4.12 0.02 1.61 -1.52 -0.64 -4.70 119.66 118.33 1iw2 s GLN 125 Ca 0.00 0.04 -0.16 0.00 -1.95 0.00 0.00 55.36 53.29 1iw2 s GLN 125 Cb 0.00 -3.56 -0.06 0.00 -0.22 0.00 0.00 33.01 29.17 1iw2 s GLN 125 CO 0.00 -0.05 0.45 -1.17 -0.25 0.00 0.00 175.29 174.27 1iw2 s LEU 126 N 1.37 4.49 0.10 2.90 2.96 -1.26 -1.63 118.68 127.61 1iw2 s LEU 126 Ca 0.15 1.04 0.02 0.00 -0.22 0.00 0.00 54.13 55.12 1iw2 s LEU 126 Cb -0.15 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 1iw2 s LEU 126 CO 0.07 0.31 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.39 1iw2 s SER 127 N -1.07 1.24 -0.05 3.68 1.04 0.50 -4.65 113.70 114.39 1iw2 s SER 127 Ca 0.25 -0.91 0.03 0.00 0.48 0.00 0.00 55.95 55.80 1iw2 s SER 127 Cb -0.17 0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.01 1iw2 s SER 127 CO 0.15 -0.38 -0.12 -0.69 0.98 0.00 0.00 173.24 173.18 1iw2 s VAL 128 N -3.06 1.10 -0.03 5.02 1.01 -0.12 -0.89 120.40 123.43 1iw2 s VAL 128 Ca 0.08 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.64 1iw2 s VAL 128 Cb 0.01 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1iw2 s VAL 128 CO -0.03 0.34 -0.21 -0.54 0.00 0.00 0.00 175.10 174.66 1iw2 s LYS 129 N 0.48 1.96 -0.19 2.72 1.02 0.96 0.36 119.74 127.04 1iw2 s LYS 129 Ca -0.11 -0.77 -0.06 0.00 0.02 0.00 0.00 55.97 55.06 1iw2 s LYS 129 Cb -0.14 -1.78 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 1iw2 s LYS 129 CO 0.03 0.39 0.02 -1.17 -0.92 0.00 0.00 175.35 173.70 1iw2 s LEU 130 N -0.29 3.42 0.12 3.17 2.96 -0.34 -0.81 118.68 126.91 1iw2 s LEU 130 Ca 0.03 -0.12 0.11 0.00 -0.22 0.00 0.00 54.13 53.93 1iw2 s LEU 130 Cb -0.10 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1iw2 s LEU 130 CO 0.01 0.10 -0.26 -0.31 -1.32 0.00 0.00 176.35 174.56 1iw2 s TYR 131 N 0.81 2.33 0.07 5.38 1.51 0.67 -0.77 117.35 127.34 1iw2 s TYR 131 Ca 0.01 -0.37 0.04 0.00 -1.01 0.00 0.00 57.07 55.74 1iw2 s TYR 131 Cb -0.14 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1iw2 s TYR 131 CO 0.02 0.32 -0.12 0.00 -1.11 0.00 0.00 175.55 174.67 1iw2 s ALA 132 N -1.04 1.00 0.23 3.71 0.00 0.18 -0.90 121.76 124.95 1iw2 s ALA 132 Ca 0.14 -0.97 0.09 0.00 0.00 0.00 0.00 51.96 51.22 1iw2 s ALA 132 Cb -0.10 -0.04 0.21 0.00 0.00 0.00 0.00 23.12 23.19 1iw2 s ALA 132 CO 0.06 0.08 1.53 0.00 0.00 0.00 0.00 175.76 177.42 1iw2 h ARG 133 N 4.20 0.02 -2.97 0.00 2.47 -1.21 0.23 114.38 117.13 1iw2 h ARG 133 Ca -0.39 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.33 1iw2 h ARG 133 Cb 1.19 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.42 1iw2 h ARG 133 CO 0.43 0.72 0.23 -1.54 0.56 0.00 0.00 179.97 180.37 1iw2 s SER 134 N -6.82 -0.46 0.07 7.04 1.04 -1.26 -4.74 113.70 108.56 1iw2 s SER 134 Ca -0.01 -0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.26 1iw2 s SER 134 Cb 0.12 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.83 1iw2 s SER 134 CO 0.78 -1.07 0.05 -0.76 0.98 0.00 0.00 173.24 173.22 1iw2 s LEU 135 N -2.80 3.70 0.66 2.42 1.43 -1.26 -4.30 118.68 118.53 1iw2 s LEU 135 Ca 0.04 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 1iw2 s LEU 135 Cb -0.03 -2.37 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 1iw2 s LEU 135 CO -0.07 0.19 1.06 -2.16 0.23 0.00 0.00 176.35 175.60 1iw2 s PRO 136 N -2.28 3.27 0.18 1.29 0.04 -1.26 -5.15 135.00 131.09 1iw2 s PRO 136 Ca 0.27 0.64 -0.26 0.00 0.04 0.00 0.00 61.00 61.69 1iw2 s PRO 136 Cb -0.12 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 1iw2 s PRO 136 CO 0.20 -0.78 0.81 0.08 0.04 0.00 0.00 177.00 177.34 1iw2 s VAL 137 N -3.25 4.31 0.49 -0.36 1.01 -1.26 -5.02 120.40 116.33 1iw2 s VAL 137 Ca 0.56 1.77 -0.23 0.00 0.00 0.00 0.00 61.98 64.08 1iw2 s VAL 137 Cb -0.11 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 1iw2 s VAL 137 CO 0.53 0.51 1.30 -0.94 0.00 0.00 0.00 175.10 176.50 1iw2 s SER 138 N -1.18 5.72 0.24 3.32 1.04 -1.26 -4.84 113.70 116.74 1iw2 s SER 138 Ca 0.37 2.63 -0.05 0.00 0.48 0.00 0.00 55.95 59.39 1iw2 s SER 138 Cb -0.23 -2.63 0.41 0.00 0.10 0.00 0.00 66.02 63.66 1iw2 s SER 138 CO 0.27 -1.25 1.78 0.44 0.98 0.00 0.00 173.24 175.46 1iw2 h ASP 139 N 1.87 0.54 -0.48 7.02 3.45 -1.99 -1.74 116.42 125.09 1iw2 h ASP 139 Ca -0.50 0.07 0.07 0.00 0.43 0.00 0.00 57.03 57.09 1iw2 h ASP 139 Cb 1.27 -0.03 -0.06 0.00 -0.56 0.00 0.00 39.33 39.96 1iw2 h ASP 139 CO 0.59 0.29 0.16 -1.28 -1.57 0.00 0.00 179.24 177.43 1iw2 h SER 140 N 0.67 0.14 -0.48 6.45 0.87 -1.99 -0.46 113.55 118.75 1iw2 h SER 140 Ca 0.39 0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.90 1iw2 h SER 140 Cb 0.44 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1iw2 h SER 140 CO -0.29 0.11 -0.17 0.58 -0.53 0.00 0.00 176.83 176.53 1iw2 h VAL 141 N 0.32 1.27 -0.44 2.23 2.07 -1.74 -0.58 116.25 119.38 1iw2 h VAL 141 Ca 0.23 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 1iw2 h VAL 141 Cb 0.25 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1iw2 h VAL 141 CO -0.25 0.46 0.26 -0.07 0.02 0.00 0.00 177.57 177.99 1iw2 h LEU 142 N 0.81 0.53 -0.74 2.57 3.38 -0.92 0.83 115.31 121.78 1iw2 h LEU 142 Ca 0.11 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1iw2 h LEU 142 Cb 0.74 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1iw2 h LEU 142 CO 0.06 0.44 0.17 0.28 0.09 0.00 0.00 178.44 179.48 1iw2 h SER 143 N 0.58 1.07 -0.28 -0.43 0.02 -1.00 -0.48 113.55 113.03 1iw2 h SER 143 Ca 0.16 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1iw2 h SER 143 Cb 0.01 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1iw2 h SER 143 CO -0.03 1.02 0.19 1.23 -1.14 0.00 0.00 176.83 178.10 1iw2 h GLY 144 N 1.08 0.40 0.69 -3.77 0.00 -0.62 0.27 103.07 101.13 1iw2 h GLY 144 Ca 0.22 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.43 1iw2 h GLY 144 CO 0.00 0.15 -0.06 -2.75 0.00 0.00 0.00 176.54 173.88 1iw2 h PHE 145 N 0.38 -0.13 -0.93 5.60 3.57 -0.49 0.32 116.94 125.27 1iw2 h PHE 145 Ca 0.10 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.68 1iw2 h PHE 145 Cb -0.04 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 1iw2 h PHE 145 CO -0.06 -0.09 0.59 0.93 -2.23 0.00 0.00 178.31 177.45 1iw2 h GLU 146 N -0.05 1.03 -0.93 1.11 5.08 -0.68 0.51 114.58 120.66 1iw2 h GLU 146 Ca 0.07 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1iw2 h GLU 146 Cb 0.15 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 1iw2 h GLU 146 CO -0.15 0.68 0.55 0.37 -1.00 0.00 0.00 179.01 179.47 1iw2 h GLN 147 N 1.06 1.26 -0.14 2.33 5.75 0.62 -1.86 115.11 124.14 1iw2 h GLN 147 Ca 0.40 -0.12 -0.13 0.00 -0.15 0.00 0.00 58.65 58.65 1iw2 h GLN 147 Cb 0.18 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 1iw2 h GLN 147 CO -0.18 0.89 -0.49 0.00 -2.65 0.00 0.00 178.83 176.40 1iw2 h ARG 148 N 1.28 0.36 -0.55 1.69 2.47 0.53 -2.25 114.38 117.91 1iw2 h ARG 148 Ca 0.33 -0.20 -0.10 0.00 -1.26 0.00 0.00 59.98 58.75 1iw2 h ARG 148 Cb -0.05 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.27 1iw2 h ARG 148 CO -0.06 0.77 -0.05 0.28 0.56 0.00 0.00 179.97 181.46 1iw2 h VAL 149 N 0.28 1.27 -0.12 2.04 2.07 -0.45 -1.68 116.25 119.66 1iw2 h VAL 149 Ca 0.01 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 1iw2 h VAL 149 Cb 0.96 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1iw2 h VAL 149 CO 0.08 0.42 0.07 1.56 0.02 0.00 0.00 177.57 179.72 1iw2 h GLN 150 N 0.88 0.17 0.00 1.57 1.08 -1.25 -2.11 115.11 115.44 1iw2 h GLN 150 Ca 0.15 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1iw2 h GLN 150 Cb 0.61 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1iw2 h GLN 150 CO 0.04 0.17 -0.03 0.93 -0.95 0.00 0.00 178.83 178.99 1iw2 h GLU 151 N 0.11 0.00 -0.23 1.46 5.08 -1.24 0.48 114.58 120.24 1iw2 h GLU 151 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1iw2 h GLU 151 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1iw2 h GLU 151 CO -0.01 0.03 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 1iw2 n ALA 152 N -2.26 2.47 -1.91 3.43 0.00 -0.65 -4.89 120.51 116.70 1iw2 n ALA 152 Ca -0.03 -0.42 -0.12 0.00 0.00 0.00 0.00 53.44 52.88 1iw2 n ALA 152 Cb 0.13 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 1iw2 n ALA 152 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1iw2 n HIS 153 N 0.18 -0.37 -4.09 0.00 8.25 0.16 -5.02 115.22 114.33 1iw2 n HIS 153 Ca 0.08 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.26 1iw2 n HIS 153 Cb 0.20 -2.59 -0.06 0.00 1.12 0.00 0.00 29.99 28.66 1iw2 n HIS 153 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1iw2 s LEU 154 N -3.30 3.69 0.44 2.41 1.43 -0.86 -5.04 118.68 117.45 1iw2 s LEU 154 Ca 0.00 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1iw2 s LEU 154 Cb 0.00 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.87 1iw2 s LEU 154 CO 0.00 0.12 0.64 0.42 0.23 0.00 0.00 176.35 177.76 1iw2 s THR 155 N -1.55 3.78 0.54 5.49 -4.23 -1.26 -3.98 115.64 114.42 1iw2 s THR 155 Ca 0.29 -0.65 0.20 0.00 -1.18 0.00 0.00 61.69 60.36 1iw2 s THR 155 Cb -0.11 -3.37 0.30 0.00 1.34 0.00 0.00 72.50 70.65 1iw2 s THR 155 CO 0.21 -0.23 2.17 -0.08 -0.54 0.00 0.00 174.62 176.15 1iw2 h GLU 156 N 0.46 0.00 0.00 3.99 4.57 -1.97 0.07 114.58 121.70 1iw2 h GLU 156 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1iw2 h GLU 156 Cb 1.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1iw2 h GLU 156 CO 0.55 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 178.13 1iw2 n ASP 157 N -4.35 0.14 -1.39 1.04 8.00 -1.26 -2.76 116.55 115.97 1iw2 n ASP 157 Ca -0.02 0.52 0.09 0.00 0.71 0.00 0.00 54.79 56.09 1iw2 n ASP 157 Cb 0.11 -0.56 0.32 0.00 -0.02 0.00 0.00 41.12 40.97 1iw2 n ASP 157 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iw2 n GLN 158 N -1.64 3.14 -3.70 -1.24 6.02 0.01 -4.85 117.38 115.12 1iw2 n GLN 158 Ca 0.06 -2.55 -0.37 0.00 -0.01 0.00 0.00 57.00 54.14 1iw2 n GLN 158 Cb 0.31 -1.72 -0.11 0.00 1.02 0.00 0.00 30.24 29.74 1iw2 n GLN 158 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1iw2 s ILE 159 N -1.54 5.04 -0.21 5.09 1.01 -1.11 -0.94 121.20 128.55 1iw2 s ILE 159 Ca 0.46 0.07 -0.03 0.00 0.00 0.00 0.00 60.65 61.15 1iw2 s ILE 159 Cb 0.28 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 1iw2 s ILE 159 CO 0.26 0.33 -0.06 -0.36 0.00 0.00 0.00 174.94 175.10 1iw2 s PHE 160 N 1.32 2.93 -0.06 3.97 0.40 0.26 -4.95 117.98 121.85 1iw2 s PHE 160 Ca 0.06 -0.97 -0.20 0.00 -0.60 0.00 0.00 56.93 55.23 1iw2 s PHE 160 Cb -0.15 -2.06 -0.05 0.00 0.51 0.00 0.00 43.02 41.28 1iw2 s PHE 160 CO 0.06 -0.54 0.56 0.71 0.70 0.00 0.00 175.22 176.71 1iw2 s TYR 161 N 1.35 3.60 0.47 0.36 1.51 -1.26 -1.08 117.35 122.29 1iw2 s TYR 161 Ca 0.04 1.07 -0.02 0.00 -1.01 0.00 0.00 57.07 57.15 1iw2 s TYR 161 Cb -0.14 -2.60 -0.01 0.00 -0.11 0.00 0.00 41.96 39.09 1iw2 s TYR 161 CO -0.03 0.25 0.72 -0.06 -1.11 0.00 0.00 175.55 175.32 1iw2 s PHE 162 N 0.27 3.36 0.51 2.71 0.40 -0.50 -4.99 117.98 119.74 1iw2 s PHE 162 Ca 0.30 0.47 -0.21 0.00 -0.60 0.00 0.00 56.93 56.89 1iw2 s PHE 162 Cb -0.17 -2.32 -0.08 0.00 0.51 0.00 0.00 43.02 40.96 1iw2 s PHE 162 CO 0.14 -0.35 0.93 -2.30 0.70 0.00 0.00 175.22 174.34 1iw2 n PRO 163 N -2.17 1.08 -0.28 0.24 -0.02 -1.26 -4.92 135.00 127.66 1iw2 n PRO 163 Ca 0.01 0.40 0.09 0.00 -2.02 0.00 0.00 63.50 61.98 1iw2 n PRO 163 Cb 0.57 -2.05 0.24 0.00 -0.02 0.00 0.00 33.50 32.23 1iw2 n PRO 163 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1iw2 n LYS 164 N -0.33 2.77 -3.69 -0.52 5.02 -1.26 -4.78 118.16 115.36 1iw2 n LYS 164 Ca 0.11 -2.36 -0.11 0.00 -2.02 0.00 0.00 58.31 53.93 1iw2 n LYS 164 Cb 0.43 -1.43 -0.06 0.00 -0.02 0.00 0.00 35.03 33.96 1iw2 n LYS 164 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1iw2 s TYR 165 N -1.01 -0.13 0.00 2.13 -0.85 -1.26 -4.94 117.35 111.28 1iw2 s TYR 165 Ca 0.37 -0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.78 1iw2 s TYR 165 Cb 0.19 0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.70 1iw2 s TYR 165 CO 0.25 -0.63 0.00 0.41 -1.52 0.00 0.00 175.55 174.06 1iw2 n GLY 166 N 0.02 0.70 3.79 5.49 0.00 -1.26 -4.69 105.19 109.23 1iw2 n GLY 166 Ca -0.17 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 1iw2 n GLY 166 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iw2 s PHE 167 N -2.00 2.82 -0.02 1.61 0.40 -1.26 -4.54 117.98 114.98 1iw2 s PHE 167 Ca 0.00 1.51 -0.11 0.00 -0.60 0.00 0.00 56.93 57.73 1iw2 s PHE 167 Cb 0.00 -3.01 0.01 0.00 0.51 0.00 0.00 43.02 40.53 1iw2 s PHE 167 CO 0.00 -1.49 0.22 0.00 0.70 0.00 0.00 175.22 174.65 1iw2 n GLU 169 N 1.56 0.90 -3.64 0.00 0.28 -1.26 -4.62 120.64 113.86 1iw2 n GLU 169 Ca -0.21 -2.70 -0.06 0.00 -0.16 0.00 0.00 57.16 54.03 1iw2 n GLU 169 Cb 0.56 -0.78 -0.07 0.00 1.43 0.00 0.00 31.44 32.58 1iw2 n GLU 169 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1iw2 s ALA 170 N -1.64 -2.09 0.13 -1.84 0.00 -1.26 -5.08 121.76 109.98 1iw2 s ALA 170 Ca 0.34 2.08 0.05 0.00 0.00 0.00 0.00 51.96 54.43 1iw2 s ALA 170 Cb 0.37 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1iw2 s ALA 170 CO -0.11 -0.30 -0.12 0.00 0.00 0.00 0.00 175.76 175.23 1iw2 s ALA 171 N 0.86 1.42 0.78 0.00 0.00 -1.26 -4.75 121.76 118.81 1iw2 s ALA 171 Ca -0.04 -1.34 -0.08 0.00 0.00 0.00 0.00 51.96 50.51 1iw2 s ALA 171 Cb -0.04 -0.02 0.11 0.00 0.00 0.00 0.00 23.12 23.16 1iw2 s ALA 171 CO -0.11 0.02 1.10 0.16 0.00 0.00 0.00 175.76 176.92 1iw2 s ASP 172 N -2.67 4.28 0.64 0.00 1.47 -1.26 -4.95 116.67 114.19 1iw2 s ASP 172 Ca 0.11 0.26 0.37 0.00 1.18 0.00 0.00 52.55 54.47 1iw2 s ASP 172 Cb -0.02 -0.70 2.07 0.00 -0.34 0.00 0.00 42.92 43.92 1iw2 s ASP 172 CO 0.02 -1.95 2.23 0.06 0.68 0.00 0.00 175.17 176.21 1iw2 h GLN 173 N -0.87 0.00 -0.00 2.11 3.07 -1.99 -1.70 115.11 115.72 1iw2 h GLN 173 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 1iw2 h GLN 173 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.85 1iw2 h GLN 173 CO 0.51 0.00 -0.10 1.19 0.09 0.00 0.00 178.83 180.53 1iw2 n PHE 174 N -3.29 0.00 -2.43 0.06 3.01 -1.26 -3.93 117.46 109.62 1iw2 n PHE 174 Ca -0.02 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.31 1iw2 n PHE 174 Cb 0.17 -0.23 0.03 0.00 -0.01 0.00 0.00 39.48 39.45 1iw2 n PHE 174 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1iw2 n HIS 175 N -1.09 2.06 -4.67 1.38 8.25 -0.64 -5.03 115.22 115.48 1iw2 n HIS 175 Ca 0.14 -2.25 -0.31 0.00 -0.26 0.00 0.00 57.72 55.03 1iw2 n HIS 175 Cb 0.27 -0.28 -0.17 0.00 1.12 0.00 0.00 29.99 30.94 1iw2 n HIS 175 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1iw2 s VAL 176 N -4.24 1.88 -0.29 1.59 1.01 -1.25 -0.97 120.40 118.14 1iw2 s VAL 176 Ca 0.39 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1iw2 s VAL 176 Cb 0.37 -1.67 0.06 0.00 0.00 0.00 0.00 36.38 35.15 1iw2 s VAL 176 CO -0.01 0.52 -0.04 -0.22 0.00 0.00 0.00 175.10 175.34 1iw2 s LEU 177 N 0.81 3.80 -0.33 3.92 2.96 0.47 -4.99 118.68 125.31 1iw2 s LEU 177 Ca -0.08 -1.46 -0.18 0.00 -0.22 0.00 0.00 54.13 52.19 1iw2 s LEU 177 Cb -0.16 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 1iw2 s LEU 177 CO -0.00 -0.25 0.52 -0.62 -1.32 0.00 0.00 176.35 174.67 1iw2 s ASP 178 N 1.16 6.34 -0.20 3.68 2.15 -1.26 -0.44 116.67 128.10 1iw2 s ASP 178 Ca -0.05 0.09 0.15 0.00 0.43 0.00 0.00 52.55 53.17 1iw2 s ASP 178 Cb -0.20 -2.27 0.68 0.00 -0.30 0.00 0.00 42.92 40.83 1iw2 s ASP 178 CO -0.04 -0.44 1.60 -0.62 -0.17 0.00 0.00 175.17 175.49 1iw2 n GLU 179 N 5.71 3.97 0.00 4.34 1.02 0.41 -4.94 120.64 131.15 1iw2 n GLU 179 Ca -0.05 -2.99 0.11 0.00 -0.02 0.00 0.00 57.16 54.22 1iw2 n GLU 179 Cb 0.49 -2.04 0.09 0.00 -0.02 0.00 0.00 31.44 29.96 1iw2 n GLU 179 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59