#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ia8 s PRO 4 N 0.00 3.91 0.00 0.52 0.02 -1.26 -5.14 135.00 133.05 3ia8 s PRO 4 Ca 0.00 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.49 3ia8 s PRO 4 Cb 0.00 -2.82 0.00 0.00 0.02 0.00 0.00 34.50 31.70 3ia8 s PRO 4 CO 0.00 -0.65 0.00 1.17 -0.33 0.00 0.00 177.00 177.19 3ia8 n LYS 5 N 0.15 0.00 -5.20 5.54 4.81 -1.26 -4.80 118.16 117.40 3ia8 n LYS 5 Ca 0.03 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.15 3ia8 n LYS 5 Cb 0.41 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.29 3ia8 n LYS 5 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3ia8 s ASN 7 N -2.16 3.15 0.56 3.14 3.84 -1.26 -4.45 114.94 117.76 3ia8 s ASN 7 Ca 0.00 -0.54 0.26 0.00 0.21 0.00 0.00 52.86 52.79 3ia8 s ASN 7 Cb 0.00 -1.36 1.52 0.00 -0.55 0.00 0.00 41.25 40.85 3ia8 s ASN 7 CO 0.00 0.17 2.05 -0.65 -2.79 0.00 0.00 177.10 175.88 3ia8 h PRO 8 N 6.64 0.00 -0.04 0.43 0.11 -1.94 -2.03 132.00 135.17 3ia8 h PRO 8 Ca -0.21 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.90 3ia8 h PRO 8 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3ia8 h PRO 8 CO 0.48 0.00 0.02 0.28 -0.21 0.00 0.00 178.00 178.57 3ia8 h VAL 9 N 0.00 1.01 -0.14 3.15 2.07 -1.94 -2.38 116.25 118.02 3ia8 h VAL 9 Ca 0.14 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3ia8 h VAL 9 Cb 0.67 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3ia8 h VAL 9 CO -0.00 0.02 0.00 1.33 0.02 0.00 0.00 177.57 178.93 3ia8 n VAL 10 N -4.53 0.16 -0.34 2.57 0.24 -0.76 -4.44 118.33 111.23 3ia8 n VAL 10 Ca -0.02 -0.54 0.17 0.00 -2.04 0.00 0.00 64.34 61.91 3ia8 n VAL 10 Cb 0.09 1.17 0.38 0.00 -1.47 0.00 0.00 33.84 34.02 3ia8 n VAL 10 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3ia8 h GLU 11 N 4.24 0.57 0.00 7.34 4.22 -1.49 0.46 114.58 129.93 3ia8 h GLU 11 Ca 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.41 3ia8 h GLU 11 Cb 0.91 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3ia8 h GLU 11 CO 0.00 0.38 0.00 -2.30 -2.18 0.00 0.00 179.01 174.91 3ia8 n PRO 12 N -4.89 0.08 -0.08 0.92 -0.02 -1.26 -1.57 135.00 128.17 3ia8 n PRO 12 Ca 0.27 0.55 0.08 0.00 -2.02 0.00 0.00 63.50 62.38 3ia8 n PRO 12 Cb 0.74 -1.74 0.13 0.00 -0.02 0.00 0.00 33.50 32.60 3ia8 n PRO 12 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3ia8 n LEU 13 N -1.91 2.40 0.28 2.45 4.77 0.14 -4.75 117.00 120.38 3ia8 n LEU 13 Ca -0.00 -2.90 0.14 0.00 -0.03 0.00 0.00 56.01 53.21 3ia8 n LEU 13 Cb 0.04 -0.37 0.82 0.00 -2.33 0.00 0.00 43.42 41.57 3ia8 n LEU 13 CO 0.06 0.68 1.04 0.77 -1.33 0.00 0.00 177.39 178.61 3ia8 h SER 14 N 0.14 0.00 0.00 -1.43 4.64 -1.19 -3.34 113.55 112.37 3ia8 h SER 14 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3ia8 h SER 14 Cb 0.95 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 3ia8 h SER 14 CO 0.01 0.07 0.06 -2.67 -0.87 0.00 0.00 176.83 173.43 3ia8 n TRP 15 N -3.72 0.00 -1.65 4.77 4.27 -1.26 -4.90 117.44 114.95 3ia8 n TRP 15 Ca -0.02 -0.52 0.00 0.00 -3.89 0.00 0.00 57.50 53.07 3ia8 n TRP 15 Cb 0.17 -0.61 0.00 0.00 -1.36 0.00 0.00 31.31 29.51 3ia8 n TRP 15 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3ia8 n LEU 17 N 2.25 -3.02 0.00 5.67 4.77 -1.26 -4.96 117.00 120.46 3ia8 n LEU 17 Ca 0.08 2.28 0.00 0.00 -0.03 0.00 0.00 56.01 58.34 3ia8 n LEU 17 Cb 0.29 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 38.78 3ia8 n LEU 17 CO 0.09 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 3ia8 n GLY 18 N -0.01 0.26 3.54 -0.72 0.00 -0.24 -4.98 105.19 103.04 3ia8 n GLY 18 Ca 0.00 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 3ia8 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ia8 s THR 19 N -1.41 4.36 0.06 2.61 2.01 0.40 -0.72 115.64 122.96 3ia8 s THR 19 Ca 0.00 -0.18 0.06 0.00 0.31 0.00 0.00 61.69 61.88 3ia8 s THR 19 Cb 0.00 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 3ia8 s THR 19 CO 0.00 0.44 -0.17 0.26 -0.69 0.00 0.00 174.62 174.46 3ia8 s TRP 20 N 0.67 1.48 -0.07 4.92 0.52 0.89 -0.55 118.94 126.80 3ia8 s TRP 20 Ca 0.01 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.76 3ia8 s TRP 20 Cb -0.14 -0.85 0.01 0.00 -1.15 0.00 0.00 33.47 31.34 3ia8 s TRP 20 CO 0.02 0.10 -0.14 -1.17 0.02 0.00 0.00 176.95 175.78 3ia8 s LEU 21 N -1.50 1.71 -0.02 2.99 2.96 -0.33 -0.78 118.68 123.71 3ia8 s LEU 21 Ca 0.03 -0.33 -0.35 0.00 -0.22 0.00 0.00 54.13 53.26 3ia8 s LEU 21 Cb -0.09 -0.90 -0.13 0.00 0.50 0.00 0.00 46.19 45.57 3ia8 s LEU 21 CO 0.02 0.05 1.75 -1.54 -1.32 0.00 0.00 176.35 175.32 3ia8 n SER 22 N 3.77 3.18 -3.39 3.68 3.41 -0.28 -0.92 113.62 123.06 3ia8 n SER 22 Ca -0.22 1.02 -0.07 0.00 -0.26 0.00 0.00 58.87 59.33 3ia8 n SER 22 Cb 0.52 -1.36 -0.07 0.00 -0.26 0.00 0.00 64.21 63.03 3ia8 n SER 22 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ia8 s ASP 23 N 2.91 -0.07 1.21 4.04 2.15 -0.24 -4.38 116.67 122.29 3ia8 s ASP 23 Ca 0.89 0.47 -0.20 0.00 0.43 0.00 0.00 52.55 54.14 3ia8 s ASP 23 Cb -0.73 1.31 0.29 0.00 -0.30 0.00 0.00 42.92 43.49 3ia8 s ASP 23 CO 0.48 -0.28 1.14 -2.16 -0.17 0.00 0.00 175.17 174.18 3ia8 s PRO 24 N 2.60 -1.28 0.69 4.34 0.04 -1.26 -4.46 135.00 135.66 3ia8 s PRO 24 Ca 0.11 -0.19 -0.17 0.00 0.04 0.00 0.00 61.00 60.79 3ia8 s PRO 24 Cb -0.15 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 3ia8 s PRO 24 CO -0.16 -3.73 0.75 -2.30 0.04 0.00 0.00 177.00 171.61 3ia8 n PRO 25 N -4.74 0.49 -1.26 0.56 -0.02 -1.26 -4.59 135.00 124.18 3ia8 n PRO 25 Ca 0.15 0.21 -0.33 0.00 -2.02 0.00 0.00 63.50 61.50 3ia8 n PRO 25 Cb 0.60 -2.01 0.11 0.00 -0.02 0.00 0.00 33.50 32.18 3ia8 n PRO 25 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ia8 s GLY 26 N -1.46 2.18 -0.18 -1.23 0.00 0.15 -4.77 107.32 102.01 3ia8 s GLY 26 Ca 0.70 0.80 -0.02 0.00 0.00 0.00 0.00 44.72 46.20 3ia8 s GLY 26 CO 0.53 1.21 -0.09 0.00 0.00 0.00 0.00 173.10 174.74 3ia8 s ALA 27 N -2.16 2.70 -0.02 3.20 0.00 0.33 -1.39 121.76 124.42 3ia8 s ALA 27 Ca 0.72 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.66 3ia8 s ALA 27 Cb -0.27 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 3ia8 s ALA 27 CO 0.49 -0.13 -0.10 0.20 0.00 0.00 0.00 175.76 176.22 3ia8 s GLY 28 N 0.98 1.67 0.18 0.00 0.00 0.24 -1.23 107.32 109.15 3ia8 s GLY 28 Ca -0.01 -0.99 -0.15 0.00 0.00 0.00 0.00 44.72 43.56 3ia8 s GLY 28 CO -0.01 -0.82 0.45 -1.59 0.00 0.00 0.00 173.10 171.14 3ia8 s THR 29 N -0.88 0.04 -0.22 0.90 2.01 0.53 -1.27 115.64 116.76 3ia8 s THR 29 Ca 0.14 -0.88 -0.31 0.00 0.31 0.00 0.00 61.69 60.95 3ia8 s THR 29 Cb -0.11 -1.56 0.16 0.00 0.01 0.00 0.00 72.50 70.99 3ia8 s THR 29 CO 0.04 -0.19 1.21 -0.47 -0.69 0.00 0.00 174.62 174.52 3ia8 s TYR 30 N -3.88 -0.16 0.65 4.92 5.04 -1.26 -4.19 117.35 118.47 3ia8 s TYR 30 Ca 0.10 0.21 0.36 0.00 -2.44 0.00 0.00 57.07 55.30 3ia8 s TYR 30 Cb 0.00 0.49 1.98 0.00 0.35 0.00 0.00 41.96 44.79 3ia8 s TYR 30 CO -0.04 -0.18 2.16 -1.35 -1.34 0.00 0.00 175.55 174.81 3ia8 h PRO 31 N 2.16 0.00 -0.02 4.97 0.11 -1.98 -1.21 132.00 136.03 3ia8 h PRO 31 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3ia8 h PRO 31 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ia8 h PRO 31 CO 0.25 0.00 -0.22 0.25 -0.21 0.00 0.00 178.00 178.06 3ia8 n THR 32 N -3.21 0.00 -4.54 -1.15 -2.24 -1.26 -4.98 114.28 96.90 3ia8 n THR 32 Ca -0.02 -0.31 -0.26 0.00 -2.27 0.00 0.00 64.05 61.20 3ia8 n THR 32 Cb 0.23 1.06 -0.14 0.00 -2.10 0.00 0.00 70.33 69.39 3ia8 n THR 32 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3ia8 s LEU 33 N -2.27 2.22 0.47 3.22 1.43 -0.46 -5.12 118.68 118.18 3ia8 s LEU 33 Ca 0.25 -0.60 -0.23 0.00 -1.03 0.00 0.00 54.13 52.52 3ia8 s LEU 33 Cb 0.19 -1.01 -0.07 0.00 0.03 0.00 0.00 46.19 45.34 3ia8 s LEU 33 CO 0.45 0.14 1.18 -1.10 0.23 0.00 0.00 176.35 177.24 3ia8 s GLN 34 N -1.50 3.68 0.62 1.70 -1.52 -1.26 -4.34 119.66 117.04 3ia8 s GLN 34 Ca 0.08 1.80 -0.19 0.00 -1.95 0.00 0.00 55.36 55.10 3ia8 s GLN 34 Cb -0.09 -2.37 -0.02 0.00 -0.22 0.00 0.00 33.01 30.31 3ia8 s GLN 34 CO 0.03 -0.62 1.30 -2.14 -0.25 0.00 0.00 175.29 173.61 3ia8 s PRO 35 N -2.75 2.72 0.14 2.91 0.02 -1.26 -4.82 135.00 131.96 3ia8 s PRO 35 Ca 0.65 2.08 -0.04 0.00 0.02 0.00 0.00 61.00 63.71 3ia8 s PRO 35 Cb -0.29 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.26 3ia8 s PRO 35 CO 0.35 -1.47 0.13 -0.59 -0.33 0.00 0.00 177.00 175.09 3ia8 s PHE 36 N -1.39 0.72 0.30 6.54 -0.71 -0.40 -5.00 117.98 118.05 3ia8 s PHE 36 Ca 0.80 -1.09 0.11 0.00 -1.04 0.00 0.00 56.93 55.71 3ia8 s PHE 36 Cb -0.38 -0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 41.04 3ia8 s PHE 36 CO 0.41 -0.59 -0.16 -0.65 -1.34 0.00 0.00 175.22 172.89 3ia8 s GLN 37 N -4.03 1.75 0.05 1.99 -0.21 -1.26 -0.59 119.66 117.36 3ia8 s GLN 37 Ca 0.22 -1.79 -0.18 0.00 0.02 0.00 0.00 55.36 53.63 3ia8 s GLN 37 Cb 0.06 -1.78 0.04 0.00 1.00 0.00 0.00 33.01 32.33 3ia8 s GLN 37 CO 0.02 0.28 0.42 1.52 -2.12 0.00 0.00 175.29 175.41 3ia8 s TYR 38 N -2.53 -0.28 0.14 0.91 1.13 -0.48 -4.50 117.35 111.74 3ia8 s TYR 38 Ca 0.31 0.24 -0.04 0.00 -1.41 0.00 0.00 57.07 56.17 3ia8 s TYR 38 Cb -0.03 0.23 -0.05 0.00 -1.10 0.00 0.00 41.96 41.01 3ia8 s TYR 38 CO 0.16 -0.58 0.36 -0.51 -2.51 0.00 0.00 175.55 172.47 3ia8 s LEU 39 N -2.02 4.27 -0.08 -3.49 1.43 -0.41 0.34 118.68 118.72 3ia8 s LEU 39 Ca -0.05 0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 53.55 3ia8 s LEU 39 Cb -0.01 -3.28 0.03 0.00 0.03 0.00 0.00 46.19 42.96 3ia8 s LEU 39 CO -0.03 0.06 0.19 -0.70 0.23 0.00 0.00 176.35 176.10 3ia8 s GLU 40 N -2.67 0.19 -0.19 1.70 2.12 -1.26 -0.50 118.70 118.09 3ia8 s GLU 40 Ca 0.40 0.35 -0.05 0.00 0.36 0.00 0.00 54.97 56.03 3ia8 s GLU 40 Cb -0.12 -0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.23 3ia8 s GLU 40 CO 0.25 -0.09 0.01 -1.21 -0.54 0.00 0.00 175.26 173.68 3ia8 s GLU 41 N 0.61 3.72 -0.15 4.30 2.02 0.21 -1.13 118.70 128.29 3ia8 s GLU 41 Ca -0.04 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.49 3ia8 s GLU 41 Cb -0.06 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.09 3ia8 s GLU 41 CO -0.03 0.12 -0.18 0.08 0.02 0.00 0.00 175.26 175.27 3ia8 s VAL 42 N 0.72 2.40 -0.27 2.63 1.01 0.04 -1.29 120.40 125.64 3ia8 s VAL 42 Ca 0.01 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3ia8 s VAL 42 Cb -0.14 -1.99 0.06 0.00 0.00 0.00 0.00 36.38 34.31 3ia8 s VAL 42 CO 0.02 0.53 -0.10 -1.00 0.00 0.00 0.00 175.10 174.56 3ia8 s HIS 43 N 0.78 3.28 -0.16 5.22 3.76 -0.03 -0.08 115.29 128.06 3ia8 s HIS 43 Ca -0.07 -2.29 0.01 0.00 -0.15 0.00 0.00 55.06 52.56 3ia8 s HIS 43 Cb -0.16 -1.96 0.01 0.00 1.11 0.00 0.00 32.58 31.58 3ia8 s HIS 43 CO -0.00 -0.87 -0.19 0.42 -0.85 0.00 0.00 174.74 173.25 3ia8 s ILE 44 N 1.11 2.25 0.33 0.60 1.01 0.10 -1.44 121.20 125.17 3ia8 s ILE 44 Ca -0.08 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 3ia8 s ILE 44 Cb -0.20 -1.94 -0.00 0.00 0.01 0.00 0.00 42.46 40.33 3ia8 s ILE 44 CO -0.05 0.53 0.44 -0.94 0.00 0.00 0.00 174.94 174.92 3ia8 s SER 45 N 1.05 0.95 0.16 3.58 1.04 -0.02 -1.08 113.70 119.38 3ia8 s SER 45 Ca -0.01 -1.50 -0.16 0.00 0.48 0.00 0.00 55.95 54.76 3ia8 s SER 45 Cb -0.14 0.64 0.03 0.00 0.10 0.00 0.00 66.02 66.64 3ia8 s SER 45 CO -0.06 -1.25 0.45 -1.38 0.98 0.00 0.00 173.24 171.98 3ia8 s HIS 46 N -3.18 -0.13 -0.11 5.02 -3.43 -1.26 -0.47 115.29 111.73 3ia8 s HIS 46 Ca 0.32 -0.20 0.16 0.00 -0.80 0.00 0.00 55.06 54.54 3ia8 s HIS 46 Cb 0.00 0.30 0.37 0.00 -1.43 0.00 0.00 32.58 31.82 3ia8 s HIS 46 CO 0.20 -0.79 1.18 1.33 -2.00 0.00 0.00 174.74 174.66 3ia8 n VAL 47 N -0.28 1.16 0.00 -5.38 0.24 -1.26 -4.92 118.33 107.90 3ia8 n VAL 47 Ca -0.13 -2.03 0.00 0.00 -2.04 0.00 0.00 64.34 60.14 3ia8 n VAL 47 Cb 0.63 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 3ia8 n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ia8 n GLY 48 N -0.45 0.63 3.89 7.63 0.00 -1.26 -4.95 105.19 110.68 3ia8 n GLY 48 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3ia8 n GLY 48 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ia8 s GLN 49 N -0.79 2.47 -1.57 1.61 -0.21 -1.26 -4.34 119.66 115.57 3ia8 s GLN 49 Ca 0.00 0.29 -0.11 0.00 0.02 0.00 0.00 55.36 55.56 3ia8 s GLN 49 Cb 0.00 -2.00 -0.05 0.00 1.00 0.00 0.00 33.01 31.96 3ia8 s GLN 49 CO 0.00 -1.27 2.72 -0.35 -2.12 0.00 0.00 175.29 174.27 3ia8 n PRO 50 N -3.13 3.41 -4.27 2.91 -0.04 -1.26 -4.52 135.00 128.10 3ia8 n PRO 50 Ca 0.07 -2.32 -0.28 0.00 -0.04 0.00 0.00 63.50 60.93 3ia8 n PRO 50 Cb 0.59 -2.96 -0.10 0.00 -0.04 0.00 0.00 33.50 30.99 3ia8 n PRO 50 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ia8 s LEU 52 N 0.84 2.98 -0.08 1.53 1.43 -0.04 -4.20 118.68 121.14 3ia8 s LEU 52 Ca 0.62 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 3ia8 s LEU 52 Cb 0.17 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 3ia8 s LEU 52 CO -0.07 0.13 -0.08 0.20 0.23 0.00 0.00 176.35 176.76 3ia8 s ASN 53 N -2.59 4.53 0.05 2.29 0.01 0.38 -1.20 114.94 118.40 3ia8 s ASN 53 Ca 0.23 -0.08 0.03 0.00 -0.71 0.00 0.00 52.86 52.33 3ia8 s ASN 53 Cb -0.10 -1.22 -0.02 0.00 0.41 0.00 0.00 41.25 40.32 3ia8 s ASN 53 CO 0.14 0.33 -0.09 0.72 -1.51 0.00 0.00 177.10 176.69 3ia8 s PHE 54 N -0.59 0.75 -0.05 2.20 -0.12 -0.53 -0.84 117.98 118.80 3ia8 s PHE 54 Ca 0.09 -0.50 -0.00 0.00 -0.05 0.00 0.00 56.93 56.47 3ia8 s PHE 54 Cb -0.12 -0.44 0.03 0.00 -0.63 0.00 0.00 43.02 41.86 3ia8 s PHE 54 CO 0.02 -0.06 -0.01 -1.12 -0.05 0.00 0.00 175.22 173.99 3ia8 s SER 55 N -1.62 1.09 -0.22 1.98 0.01 -0.52 -1.87 113.70 112.55 3ia8 s SER 55 Ca -0.09 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.10 3ia8 s SER 55 Cb -0.10 -0.37 0.03 0.00 0.21 0.00 0.00 66.02 65.79 3ia8 s SER 55 CO 0.01 -0.13 -0.13 -0.36 0.41 0.00 0.00 173.24 173.03 3ia8 s PHE 56 N 1.44 2.96 -0.13 2.43 0.08 -0.24 -0.85 117.98 123.66 3ia8 s PHE 56 Ca -0.03 -1.69 0.01 0.00 0.12 0.00 0.00 56.93 55.34 3ia8 s PHE 56 Cb -0.13 -1.98 0.02 0.00 -0.57 0.00 0.00 43.02 40.36 3ia8 s PHE 56 CO -0.03 -0.78 -0.14 -0.80 -0.10 0.00 0.00 175.22 173.37 3ia8 s ASN 57 N 1.28 2.59 0.20 1.36 0.01 -0.41 -1.27 114.94 118.70 3ia8 s ASN 57 Ca 0.01 -0.46 0.06 0.00 -0.71 0.00 0.00 52.86 51.76 3ia8 s ASN 57 Cb -0.15 -1.14 -0.04 0.00 0.41 0.00 0.00 41.25 40.33 3ia8 s ASN 57 CO -0.08 -0.03 0.18 -0.94 -1.51 0.00 0.00 177.10 174.71 3ia8 s SER 58 N 1.32 5.61 0.03 -1.22 1.04 0.01 -0.62 113.70 119.87 3ia8 s SER 58 Ca 0.01 -0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.25 3ia8 s SER 58 Cb -0.14 -1.48 -0.01 0.00 0.10 0.00 0.00 66.02 64.50 3ia8 s SER 58 CO -0.07 0.02 0.07 -0.36 0.98 0.00 0.00 173.24 173.88 3ia8 s PHE 59 N -1.91 0.20 0.24 5.02 0.40 0.34 -4.16 117.98 118.11 3ia8 s PHE 59 Ca 0.32 -0.47 -0.30 0.00 -0.60 0.00 0.00 56.93 55.88 3ia8 s PHE 59 Cb -0.09 -0.15 -0.10 0.00 0.51 0.00 0.00 43.02 43.19 3ia8 s PHE 59 CO 0.25 -0.32 1.48 -1.58 0.70 0.00 0.00 175.22 175.75 3ia8 s HIS 60 N -2.22 3.00 0.40 0.36 5.65 0.17 -1.29 115.29 121.35 3ia8 s HIS 60 Ca -0.08 0.93 0.13 0.00 0.25 0.00 0.00 55.06 56.29 3ia8 s HIS 60 Cb -0.04 -3.87 0.82 0.00 -1.18 0.00 0.00 32.58 28.32 3ia8 s HIS 60 CO -0.03 -2.90 1.88 -1.35 -0.65 0.00 0.00 174.74 171.69 3ia8 h PRO 61 N 5.35 0.00 0.00 2.88 0.11 -1.91 0.45 132.00 138.88 3ia8 h PRO 61 Ca -0.45 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.46 3ia8 h PRO 61 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3ia8 h PRO 61 CO 0.80 0.31 -1.30 -0.25 -0.21 0.00 0.00 178.00 177.35 3ia8 n ASP 62 N -4.16 1.87 0.16 -2.05 8.00 -1.26 -4.53 116.55 114.57 3ia8 n ASP 62 Ca -0.02 0.45 0.12 0.00 0.71 0.00 0.00 54.79 56.05 3ia8 n ASP 62 Cb 0.35 -0.89 0.14 0.00 -0.02 0.00 0.00 41.12 40.70 3ia8 n ASP 62 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3ia8 h THR 63 N -1.00 0.00 -0.43 -3.53 1.35 -1.98 -3.47 112.91 103.86 3ia8 h THR 63 Ca -0.30 -0.90 -0.18 0.00 -0.55 0.00 0.00 66.41 64.48 3ia8 h THR 63 Cb 1.14 1.71 -0.07 0.00 -1.73 0.00 0.00 68.15 69.19 3ia8 h THR 63 CO -0.18 0.00 -0.17 0.54 -0.25 0.00 0.00 175.52 175.46 3ia8 n ARG 64 N -2.80 -1.25 -2.13 4.72 1.74 0.15 -4.95 116.66 112.13 3ia8 n ARG 64 Ca 0.03 0.76 -0.41 0.00 -0.77 0.00 0.00 57.85 57.46 3ia8 n ARG 64 Cb 0.52 -4.90 -0.02 0.00 -1.02 0.00 0.00 32.46 27.03 3ia8 n ARG 64 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3ia8 s LYS 65 N -2.55 4.36 0.90 5.56 2.20 -1.26 -4.53 119.74 124.42 3ia8 s LYS 65 Ca 0.00 2.18 -0.11 0.00 -0.36 0.00 0.00 55.97 57.68 3ia8 s LYS 65 Cb 0.00 -3.11 0.13 0.00 -1.51 0.00 0.00 37.83 33.34 3ia8 s LYS 65 CO 0.00 -0.24 1.12 -2.30 -0.36 0.00 0.00 175.35 173.57 3ia8 n PRO 66 N 1.58 -0.34 -1.38 4.03 -0.02 -1.26 -0.66 135.00 136.95 3ia8 n PRO 66 Ca 0.03 -0.03 -0.44 0.00 -2.02 0.00 0.00 63.50 61.03 3ia8 n PRO 66 Cb 0.42 -2.36 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 3ia8 n PRO 66 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3ia8 n HIS 68 N -4.05 -1.04 -3.85 6.00 -0.00 -1.26 -4.82 115.22 106.19 3ia8 n HIS 68 Ca 0.12 0.76 -0.12 0.00 -0.00 0.00 0.00 57.72 58.48 3ia8 n HIS 68 Cb 0.52 -1.91 -0.12 0.00 -0.00 0.00 0.00 29.99 28.48 3ia8 n HIS 68 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3ia8 s ARG 69 N -1.12 0.18 0.14 1.57 0.52 -1.26 -0.81 118.95 118.17 3ia8 s ARG 69 Ca 0.62 0.05 -0.11 0.00 -0.52 0.00 0.00 55.73 55.76 3ia8 s ARG 69 Cb -0.75 0.08 0.01 0.00 0.52 0.00 0.00 34.95 34.81 3ia8 s ARG 69 CO 0.59 -0.03 0.32 -1.83 0.02 0.00 0.00 175.30 174.37 3ia8 s GLU 70 N -0.19 1.10 0.05 3.54 -1.05 -0.40 -0.80 118.70 120.94 3ia8 s GLU 70 Ca -0.03 -0.99 -0.23 0.00 -0.15 0.00 0.00 54.97 53.58 3ia8 s GLU 70 Cb -0.02 0.41 0.05 0.00 -0.44 0.00 0.00 34.13 34.13 3ia8 s GLU 70 CO 0.00 -0.41 0.53 0.00 0.95 0.00 0.00 175.26 176.33 3ia8 n GLY 72 N 0.38 -0.71 3.02 0.00 0.00 -0.78 -0.95 105.19 106.14 3ia8 n GLY 72 Ca -0.18 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 3ia8 n GLY 72 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ia8 s PHE 73 N -4.00 0.15 -0.20 1.61 0.08 -0.83 -1.45 117.98 113.34 3ia8 s PHE 73 Ca 0.00 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 56.73 3ia8 s PHE 73 Cb 0.00 -0.12 0.05 0.00 -0.57 0.00 0.00 43.02 42.38 3ia8 s PHE 73 CO 0.00 -0.21 -0.06 0.42 -0.10 0.00 0.00 175.22 175.28 3ia8 s ILE 74 N -1.28 1.36 0.26 0.64 1.01 -0.34 -1.21 121.20 121.65 3ia8 s ILE 74 Ca -0.14 -0.96 0.08 0.00 0.00 0.00 0.00 60.65 59.63 3ia8 s ILE 74 Cb -0.08 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 3ia8 s ILE 74 CO -0.00 0.01 0.11 -0.13 0.00 0.00 0.00 174.94 174.93 3ia8 s ARG 75 N 1.50 2.64 0.04 2.79 0.52 0.51 -0.86 118.95 126.09 3ia8 s ARG 75 Ca -0.03 -1.23 0.02 0.00 -0.52 0.00 0.00 55.73 53.97 3ia8 s ARG 75 Cb -0.17 -2.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.89 3ia8 s ARG 75 CO -0.07 0.37 -0.07 -0.51 0.02 0.00 0.00 175.30 175.04 3ia8 s LEU 76 N -3.77 2.29 -0.07 2.53 1.02 -1.26 -0.76 118.68 118.65 3ia8 s LEU 76 Ca 0.32 -0.60 -0.30 0.00 0.02 0.00 0.00 54.13 53.58 3ia8 s LEU 76 Cb -0.07 -0.11 -0.03 0.00 0.02 0.00 0.00 46.19 46.00 3ia8 s LEU 76 CO 0.23 -0.25 1.14 -0.75 0.02 0.00 0.00 176.35 176.73 3ia8 s LYS 77 N -1.85 4.37 0.21 1.70 2.20 -0.76 -4.95 119.74 120.67 3ia8 s LYS 77 Ca -0.08 1.58 -0.32 0.00 -0.36 0.00 0.00 55.97 56.79 3ia8 s LYS 77 Cb -0.08 -3.55 -0.14 0.00 -1.51 0.00 0.00 37.83 32.54 3ia8 s LYS 77 CO -0.01 -0.41 1.34 -2.30 -0.36 0.00 0.00 175.35 173.62 3ia8 n PRO 78 N 5.16 1.76 -1.28 4.03 -0.02 -1.26 -1.46 135.00 141.93 3ia8 n PRO 78 Ca 0.10 0.63 -0.10 0.00 -2.02 0.00 0.00 63.50 62.11 3ia8 n PRO 78 Cb 0.47 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 3ia8 n PRO 78 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ia8 n ASP 79 N 2.19 -5.13 -4.64 2.55 8.00 -1.26 -4.99 116.55 113.27 3ia8 n ASP 79 Ca 0.13 0.24 -0.30 0.00 0.71 0.00 0.00 54.79 55.57 3ia8 n ASP 79 Cb 0.29 -3.49 -0.09 0.00 -0.02 0.00 0.00 41.12 37.80 3ia8 n ASP 79 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ia8 s THR 80 N -2.04 1.44 -0.47 -3.53 -4.23 -0.53 -5.03 115.64 101.24 3ia8 s THR 80 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 3ia8 s THR 80 Cb 0.00 -2.54 0.66 0.00 1.34 0.00 0.00 72.50 71.96 3ia8 s THR 80 CO 0.00 0.00 1.57 -0.46 -0.54 0.00 0.00 174.62 175.19 3ia8 n ASN 81 N -1.12 4.66 -4.70 3.99 6.94 -1.26 -4.74 115.26 119.04 3ia8 n ASN 81 Ca -0.12 -2.78 -0.40 0.00 -0.02 0.00 0.00 54.58 51.27 3ia8 n ASN 81 Cb 0.67 -0.58 -0.05 0.00 -2.36 0.00 0.00 39.78 37.46 3ia8 n ASN 81 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3ia8 s LYS 82 N -2.44 4.34 0.05 -3.83 -0.14 -1.26 -1.34 119.74 115.11 3ia8 s LYS 82 Ca 0.47 0.73 0.08 0.00 -1.36 0.00 0.00 55.97 55.88 3ia8 s LYS 82 Cb 0.35 -3.50 -0.03 0.00 -1.68 0.00 0.00 37.83 32.97 3ia8 s LYS 82 CO 0.15 -0.05 -0.22 0.08 -0.76 0.00 0.00 175.35 174.56 3ia8 s VAL 83 N 1.23 1.79 -0.02 3.17 1.01 -0.51 -1.83 120.40 125.25 3ia8 s VAL 83 Ca 0.33 -1.27 0.03 0.00 0.00 0.00 0.00 61.98 61.07 3ia8 s VAL 83 Cb -0.16 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 3ia8 s VAL 83 CO 0.14 0.23 -0.10 0.00 0.00 0.00 0.00 175.10 175.37 3ia8 s ALA 84 N -0.82 0.91 -0.08 5.51 0.00 0.06 -1.66 121.76 125.67 3ia8 s ALA 84 Ca 0.09 -0.40 0.03 0.00 0.00 0.00 0.00 51.96 51.68 3ia8 s ALA 84 Cb -0.09 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.74 3ia8 s ALA 84 CO 0.02 0.17 -0.17 0.12 0.00 0.00 0.00 175.76 175.91 3ia8 s PHE 85 N 0.03 1.92 -0.02 0.00 2.19 0.12 -0.36 117.98 121.87 3ia8 s PHE 85 Ca -0.01 -0.78 0.07 0.00 0.33 0.00 0.00 56.93 56.54 3ia8 s PHE 85 Cb -0.07 -1.35 -0.02 0.00 -1.31 0.00 0.00 43.02 40.27 3ia8 s PHE 85 CO 0.00 -0.36 -0.23 0.14 1.83 0.00 0.00 175.22 176.60 3ia8 s VAL 86 N 0.62 1.83 -0.01 3.12 -7.23 -0.35 -0.87 120.40 117.50 3ia8 s VAL 86 Ca -0.15 -0.99 -0.01 0.00 -1.81 0.00 0.00 61.98 59.02 3ia8 s VAL 86 Cb -0.16 -1.52 0.01 0.00 0.56 0.00 0.00 36.38 35.27 3ia8 s VAL 86 CO 0.04 0.51 0.03 -0.55 -0.31 0.00 0.00 175.10 174.83 3ia8 s SER 87 N -0.56 -0.02 -0.11 4.85 0.15 -0.79 -1.97 113.70 115.26 3ia8 s SER 87 Ca 0.09 0.06 -0.01 0.00 0.70 0.00 0.00 55.95 56.78 3ia8 s SER 87 Cb -0.09 0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.24 3ia8 s SER 87 CO -0.01 -0.02 -0.05 0.00 1.20 0.00 0.00 173.24 174.36 3ia8 s ALA 88 N 0.15 3.01 0.13 5.45 0.00 -0.13 -1.56 121.76 128.81 3ia8 s ALA 88 Ca -0.01 -0.85 0.10 0.00 0.00 0.00 0.00 51.96 51.20 3ia8 s ALA 88 Cb -0.02 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 3ia8 s ALA 88 CO -0.00 0.41 -0.25 -0.65 0.00 0.00 0.00 175.76 175.26 3ia8 s GLN 89 N -0.28 1.34 0.00 0.00 -0.21 0.77 -1.43 119.66 119.85 3ia8 s GLN 89 Ca 0.04 -1.31 0.20 0.00 0.02 0.00 0.00 55.36 54.31 3ia8 s GLN 89 Cb -0.13 -1.78 0.98 0.00 1.00 0.00 0.00 33.01 33.09 3ia8 s GLN 89 CO 0.02 0.42 1.62 0.27 -2.12 0.00 0.00 175.29 175.50 3ia8 n ASN 90 N 0.93 0.00 0.00 5.90 6.94 0.02 -0.87 115.26 128.18 3ia8 n ASN 90 Ca -0.18 0.06 0.10 0.00 -0.02 0.00 0.00 54.58 54.53 3ia8 n ASN 90 Cb 0.53 -0.31 0.44 0.00 -2.36 0.00 0.00 39.78 38.08 3ia8 n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3ia8 n THR 91 N -1.31 0.59 -1.38 5.53 -2.24 -1.26 -4.87 114.28 109.34 3ia8 n THR 91 Ca 0.09 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 3ia8 n THR 91 Cb 0.17 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 3ia8 n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ia8 n GLY 92 N 0.54 0.99 3.21 3.38 0.00 -0.05 -4.63 105.19 108.63 3ia8 n GLY 92 Ca 0.06 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 3ia8 n GLY 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ia8 s VAL 93 N -2.31 1.66 0.16 1.61 1.01 -1.14 -1.03 120.40 120.37 3ia8 s VAL 93 Ca 0.00 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.20 3ia8 s VAL 93 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3ia8 s VAL 93 CO 0.00 0.47 -0.23 0.68 0.00 0.00 0.00 175.10 176.02 3ia8 s VAL 94 N -0.32 2.15 0.03 2.92 -7.23 -0.24 -0.16 120.40 117.55 3ia8 s VAL 94 Ca 0.04 -1.88 -0.15 0.00 -1.81 0.00 0.00 61.98 58.18 3ia8 s VAL 94 Cb -0.10 -1.97 0.02 0.00 0.56 0.00 0.00 36.38 34.90 3ia8 s VAL 94 CO 0.01 -0.09 0.32 -1.83 -0.31 0.00 0.00 175.10 173.19 3ia8 s GLU 95 N -2.44 0.79 -0.13 4.82 -1.05 -0.60 -1.23 118.70 118.86 3ia8 s GLU 95 Ca 0.16 -0.40 0.02 0.00 -0.15 0.00 0.00 54.97 54.60 3ia8 s GLU 95 Cb -0.08 0.35 0.01 0.00 -0.44 0.00 0.00 34.13 33.97 3ia8 s GLU 95 CO 0.08 -0.25 -0.17 0.08 0.95 0.00 0.00 175.26 175.95 3ia8 s VAL 96 N -2.23 1.68 -0.00 1.83 1.01 -0.18 -1.88 120.40 120.62 3ia8 s VAL 96 Ca -0.07 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.24 3ia8 s VAL 96 Cb -0.02 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 3ia8 s VAL 96 CO -0.01 0.48 -0.22 -1.61 0.00 0.00 0.00 175.10 173.73 3ia8 s GLU 97 N 1.04 1.72 0.15 2.72 2.02 -0.05 -1.14 118.70 125.17 3ia8 s GLU 97 Ca -0.04 -0.83 0.03 0.00 0.02 0.00 0.00 54.97 54.15 3ia8 s GLU 97 Cb -0.15 -1.71 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 3ia8 s GLU 97 CO -0.04 0.46 -0.05 -1.21 0.02 0.00 0.00 175.26 174.45 3ia8 s GLU 98 N -0.66 1.03 0.00 1.61 2.02 -0.32 0.16 118.70 122.54 3ia8 s GLU 98 Ca 0.09 -1.47 0.00 0.00 0.02 0.00 0.00 54.97 53.61 3ia8 s GLU 98 Cb -0.09 -0.37 0.00 0.00 0.10 0.00 0.00 34.13 33.77 3ia8 s GLU 98 CO -0.00 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.65 3ia8 n GLY 99 N -0.19 -0.85 3.33 -1.39 0.00 -0.66 -0.92 105.19 104.52 3ia8 n GLY 99 Ca -0.09 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 3ia8 n GLY 99 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ia8 s GLU 100 N -0.74 1.02 -0.14 1.61 -1.05 -0.85 -1.42 118.70 117.12 3ia8 s GLU 100 Ca 0.00 -0.50 -0.04 0.00 -0.15 0.00 0.00 54.97 54.29 3ia8 s GLU 100 Cb 0.00 0.45 -0.03 0.00 -0.44 0.00 0.00 34.13 34.11 3ia8 s GLU 100 CO 0.00 -0.38 -0.01 0.54 0.95 0.00 0.00 175.26 176.36 3ia8 s VAL 101 N -3.10 4.15 -0.12 1.83 0.11 -0.45 -1.75 120.40 121.07 3ia8 s VAL 101 Ca -0.01 -0.27 -0.01 0.00 -2.93 0.00 0.00 61.98 58.75 3ia8 s VAL 101 Cb 0.00 -2.81 0.04 0.00 -1.53 0.00 0.00 36.38 32.08 3ia8 s VAL 101 CO -0.07 0.51 -0.01 0.20 -3.33 0.00 0.00 175.10 172.40 3ia8 s ASN 102 N 0.06 2.22 1.75 3.54 0.01 -0.24 -4.80 114.94 117.49 3ia8 s ASN 102 Ca 0.01 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.76 3ia8 s ASN 102 Cb -0.13 -0.63 0.00 0.00 0.41 0.00 0.00 41.25 40.90 3ia8 s ASN 102 CO 0.02 -0.21 0.00 0.61 -1.51 0.00 0.00 177.10 176.01 3ia8 n GLY 103 N 5.04 2.84 2.32 0.66 0.00 -1.26 -2.04 105.19 112.75 3ia8 n GLY 103 Ca -0.09 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 3ia8 n GLY 103 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ia8 n GLN 104 N 13.51 3.06 -3.99 1.61 6.02 -1.26 -4.91 117.38 131.41 3ia8 n GLN 104 Ca 0.00 -3.71 -0.23 0.00 -0.01 0.00 0.00 57.00 53.05 3ia8 n GLN 104 Cb 0.00 -2.28 -0.17 0.00 1.02 0.00 0.00 30.24 28.81 3ia8 n GLN 104 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3ia8 s GLU 105 N -3.76 0.94 -0.17 -1.09 2.12 -0.87 -1.49 118.70 114.38 3ia8 s GLU 105 Ca 0.57 -0.07 -0.04 0.00 0.36 0.00 0.00 54.97 55.79 3ia8 s GLU 105 Cb 0.46 -1.07 -0.02 0.00 0.26 0.00 0.00 34.13 33.75 3ia8 s GLU 105 CO -0.06 -0.19 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.26 3ia8 s LEU 106 N 1.45 3.17 -0.15 2.70 2.96 0.83 -1.08 118.68 128.56 3ia8 s LEU 106 Ca -0.02 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 3ia8 s LEU 106 Cb -0.13 -1.77 0.03 0.00 0.50 0.00 0.00 46.19 44.81 3ia8 s LEU 106 CO -0.03 0.13 -0.11 0.00 -1.32 0.00 0.00 176.35 175.01 3ia8 s ILE 108 N 1.52 0.98 -0.01 0.00 -4.36 -0.41 -2.01 121.20 116.91 3ia8 s ILE 108 Ca 0.03 -1.79 -0.01 0.00 -0.26 0.00 0.00 60.65 58.62 3ia8 s ILE 108 Cb -0.14 -1.53 0.00 0.00 1.25 0.00 0.00 42.46 42.05 3ia8 s ILE 108 CO -0.10 -0.64 0.04 0.00 0.24 0.00 0.00 174.94 174.48 3ia8 s ALA 109 N -2.80 -0.09 0.39 2.27 0.00 -0.09 -1.19 121.76 120.24 3ia8 s ALA 109 Ca 0.09 0.07 -0.27 0.00 0.00 0.00 0.00 51.96 51.86 3ia8 s ALA 109 Cb -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 23.12 22.97 3ia8 s ALA 109 CO -0.00 -0.03 1.30 -1.54 0.00 0.00 0.00 175.76 175.48 3ia8 s SER 110 N -0.08 6.42 -0.00 0.00 1.04 0.50 -1.18 113.70 120.40 3ia8 s SER 110 Ca -0.01 2.65 0.02 0.00 0.48 0.00 0.00 55.95 59.09 3ia8 s SER 110 Cb -0.01 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.44 3ia8 s SER 110 CO 0.00 -0.77 0.08 0.00 0.98 0.00 0.00 173.24 173.53 3ia8 n HIS 111 N 0.27 0.00 -3.76 5.02 1.44 -0.29 -4.78 115.22 113.13 3ia8 n HIS 111 Ca 0.03 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.60 3ia8 n HIS 111 Cb 0.43 -0.02 -0.15 0.00 0.12 0.00 0.00 29.99 30.37 3ia8 n HIS 111 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 3ia8 s SER 112 N -1.70 -0.07 -0.01 4.39 0.01 -1.17 -5.02 113.70 110.13 3ia8 s SER 112 Ca 0.00 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.50 3ia8 s SER 112 Cb 0.02 0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.39 3ia8 s SER 112 CO 0.10 -0.14 0.01 -0.63 0.41 0.00 0.00 173.24 172.99 3ia8 s ILE 113 N 1.10 -0.01 0.13 1.44 1.01 -1.26 -1.01 121.20 122.60 3ia8 s ILE 113 Ca -0.09 0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.67 3ia8 s ILE 113 Cb -0.11 -0.06 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 3ia8 s ILE 113 CO -0.05 0.05 -0.01 0.00 0.00 0.00 0.00 174.94 174.92 3ia8 s ALA 114 N 0.50 1.07 0.17 9.38 0.00 -0.37 -5.00 121.76 127.51 3ia8 s ALA 114 Ca -0.04 -1.46 -0.12 0.00 0.00 0.00 0.00 51.96 50.34 3ia8 s ALA 114 Cb -0.06 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.51 3ia8 s ALA 114 CO -0.01 -0.32 0.36 -0.98 0.00 0.00 0.00 175.76 174.81 3ia8 s ARG 115 N -3.91 1.22 0.60 0.00 1.70 -1.26 -1.07 118.95 116.23 3ia8 s ARG 115 Ca 0.18 -1.06 -0.16 0.00 -0.47 0.00 0.00 55.73 54.23 3ia8 s ARG 115 Cb 0.06 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 34.84 3ia8 s ARG 115 CO -0.01 -0.47 1.06 0.96 -1.08 0.00 0.00 175.30 175.77 3ia8 s ILE 116 N -3.93 3.74 0.38 4.99 -4.36 -0.19 -4.94 121.20 116.88 3ia8 s ILE 116 Ca 0.14 0.82 0.28 0.00 -0.26 0.00 0.00 60.65 61.63 3ia8 s ILE 116 Cb 0.02 -3.35 0.30 0.00 1.25 0.00 0.00 42.46 40.68 3ia8 s ILE 116 CO -0.01 -0.49 2.06 0.77 0.24 0.00 0.00 174.94 177.51 3ia8 h SER 117 N 0.38 0.00 -0.46 4.36 4.64 -2.00 -2.36 113.55 118.11 3ia8 h SER 117 Ca -0.47 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.68 3ia8 h SER 117 Cb 1.22 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.21 3ia8 h SER 117 CO 0.57 0.11 0.09 2.22 -0.87 0.00 0.00 176.83 178.95 3ia8 n PHE 118 N -3.55 1.50 -1.84 4.77 -1.74 -1.26 -5.03 117.46 110.31 3ia8 n PHE 118 Ca -0.02 -1.36 -0.40 0.00 -0.56 0.00 0.00 57.45 55.11 3ia8 n PHE 118 Cb 0.25 -0.53 0.01 0.00 1.52 0.00 0.00 39.48 40.73 3ia8 n PHE 118 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3ia8 s ALA 119 N -3.10 3.36 0.20 1.98 0.00 -0.89 -4.93 121.76 118.38 3ia8 s ALA 119 Ca 0.47 1.46 -0.31 0.00 0.00 0.00 0.00 51.96 53.59 3ia8 s ALA 119 Cb 0.40 -3.58 -0.10 0.00 0.00 0.00 0.00 23.12 19.84 3ia8 s ALA 119 CO 0.06 -1.09 1.48 0.21 0.00 0.00 0.00 175.76 176.43 3ia8 s LYS 120 N -2.29 4.25 0.56 0.00 2.20 -1.26 -5.00 119.74 118.20 3ia8 s LYS 120 Ca 0.57 2.30 -0.08 0.00 -0.36 0.00 0.00 55.97 58.40 3ia8 s LYS 120 Cb -0.44 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 3ia8 s LYS 120 CO 0.57 -0.49 0.91 -1.21 -0.36 0.00 0.00 175.35 174.77 3ia8 s GLU 121 N 0.39 3.52 0.47 4.03 2.02 -1.26 -4.40 118.70 123.47 3ia8 s GLU 121 Ca 0.64 0.45 -0.22 0.00 0.02 0.00 0.00 54.97 55.86 3ia8 s GLU 121 Cb -0.42 -2.22 -0.08 0.00 0.10 0.00 0.00 34.13 31.51 3ia8 s GLU 121 CO 0.37 -0.42 1.10 -2.14 0.02 0.00 0.00 175.26 174.20 3ia8 s PRO 122 N -4.97 3.79 0.18 0.39 0.02 -1.26 -5.14 135.00 128.02 3ia8 s PRO 122 Ca 0.51 1.60 -0.30 0.00 0.02 0.00 0.00 61.00 62.83 3ia8 s PRO 122 Cb -0.11 -2.30 -0.08 0.00 0.02 0.00 0.00 34.50 32.04 3ia8 s PRO 122 CO 0.49 -0.48 0.98 -1.01 -0.33 0.00 0.00 177.00 176.66 3ia8 s HIS 123 N -1.70 3.83 0.26 6.54 3.76 -1.26 -4.90 115.29 121.82 3ia8 s HIS 123 Ca 0.65 1.81 -0.30 0.00 -0.15 0.00 0.00 55.06 57.07 3ia8 s HIS 123 Cb -0.24 -3.08 -0.09 0.00 1.11 0.00 0.00 32.58 30.29 3ia8 s HIS 123 CO 0.28 0.13 1.11 0.54 -0.85 0.00 0.00 174.74 175.95 3ia8 s VAL 124 N -0.55 3.53 -0.08 -0.90 0.11 -1.26 -1.70 120.40 119.55 3ia8 s VAL 124 Ca 0.45 1.50 0.06 0.00 -2.93 0.00 0.00 61.98 61.05 3ia8 s VAL 124 Cb -0.26 -3.95 -0.09 0.00 -1.53 0.00 0.00 36.38 30.55 3ia8 s VAL 124 CO 0.32 0.34 0.01 -0.62 -3.33 0.00 0.00 175.10 171.82 3ia8 n GLU 125 N 1.43 2.42 -3.79 1.54 -0.58 0.66 -4.90 120.64 117.42 3ia8 n GLU 125 Ca -0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.62 3ia8 n GLU 125 Cb 0.45 -1.20 -0.12 0.00 -0.57 0.00 0.00 31.44 30.01 3ia8 n GLU 125 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3ia8 s GLN 126 N -2.19 0.28 0.00 3.49 -0.21 -1.04 -4.89 119.66 115.10 3ia8 s GLN 126 Ca -0.05 0.34 0.04 0.00 0.02 0.00 0.00 55.36 55.72 3ia8 s GLN 126 Cb 0.02 0.12 -0.01 0.00 1.00 0.00 0.00 33.01 34.15 3ia8 s GLN 126 CO 0.30 -0.04 -0.13 0.42 -2.12 0.00 0.00 175.29 173.72 3ia8 s ILE 127 N 0.18 1.04 0.02 1.08 1.01 -1.26 -0.94 121.20 122.34 3ia8 s ILE 127 Ca -0.00 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.03 3ia8 s ILE 127 Cb -0.02 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.54 3ia8 s ILE 127 CO -0.00 0.22 -0.12 0.42 0.00 0.00 0.00 174.94 175.45 3ia8 s THR 128 N -0.44 0.98 0.05 2.92 -4.23 0.13 -0.37 115.64 114.68 3ia8 s THR 128 Ca 0.04 -0.81 0.04 0.00 -1.18 0.00 0.00 61.69 59.78 3ia8 s THR 128 Cb -0.06 -0.87 -0.02 0.00 1.34 0.00 0.00 72.50 72.89 3ia8 s THR 128 CO -0.00 0.06 -0.13 -0.13 -0.54 0.00 0.00 174.62 173.89 3ia8 s ARG 129 N -0.85 0.78 -0.10 3.99 0.52 -0.34 -0.60 118.95 122.35 3ia8 s ARG 129 Ca 0.02 -0.81 0.01 0.00 -0.52 0.00 0.00 55.73 54.43 3ia8 s ARG 129 Cb -0.07 -0.75 0.02 0.00 0.52 0.00 0.00 34.95 34.67 3ia8 s ARG 129 CO 0.01 0.17 -0.13 0.15 0.02 0.00 0.00 175.30 175.52 3ia8 s LYS 130 N -1.42 1.99 -0.06 3.54 1.02 -0.15 -1.29 119.74 123.38 3ia8 s LYS 130 Ca -0.02 -0.48 0.03 0.00 0.02 0.00 0.00 55.97 55.52 3ia8 s LYS 130 Cb -0.09 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.45 3ia8 s LYS 130 CO 0.01 -0.09 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.17 3ia8 s PHE 131 N 1.08 2.77 0.02 3.18 0.08 0.55 -0.99 117.98 124.67 3ia8 s PHE 131 Ca -0.05 -0.13 -0.17 0.00 0.12 0.00 0.00 56.93 56.70 3ia8 s PHE 131 Cb -0.15 -1.66 0.03 0.00 -0.57 0.00 0.00 43.02 40.68 3ia8 s PHE 131 CO -0.02 0.21 0.38 -0.98 -0.10 0.00 0.00 175.22 174.71 3ia8 s ARG 132 N -0.71 0.84 -0.27 0.44 1.70 -0.20 -0.12 118.95 120.64 3ia8 s ARG 132 Ca 0.11 -0.32 -0.13 0.00 -0.47 0.00 0.00 55.73 54.92 3ia8 s ARG 132 Cb -0.11 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.60 3ia8 s ARG 132 CO 0.01 -0.27 0.27 -1.17 -1.08 0.00 0.00 175.30 173.06 3ia8 s LEU 133 N -1.81 4.04 0.86 -1.89 2.96 -0.56 0.02 118.68 122.31 3ia8 s LEU 133 Ca -0.08 0.14 -0.10 0.00 -0.22 0.00 0.00 54.13 53.88 3ia8 s LEU 133 Cb -0.02 -2.25 0.17 0.00 0.50 0.00 0.00 46.19 44.58 3ia8 s LEU 133 CO -0.00 -0.09 1.19 0.54 -1.32 0.00 0.00 176.35 176.67 3ia8 s ASN 134 N 1.61 3.66 0.38 3.68 2.20 -0.05 -4.91 114.94 121.50 3ia8 s ASN 134 Ca 0.11 0.06 0.26 0.00 -0.94 0.00 0.00 52.86 52.35 3ia8 s ASN 134 Cb -0.16 -0.25 1.34 0.00 -2.00 0.00 0.00 41.25 40.18 3ia8 s ASN 134 CO 0.10 -2.36 1.81 0.77 -2.94 0.00 0.00 177.10 174.47 3ia8 h SER 135 N -1.19 0.00 -0.02 3.54 4.64 -1.98 -1.27 113.55 117.28 3ia8 h SER 135 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3ia8 h SER 135 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3ia8 h SER 135 CO 0.40 0.00 -0.03 -0.62 -0.87 0.00 0.00 176.83 175.71 3ia8 n GLU 136 N -2.44 1.98 -0.51 4.77 1.02 -1.26 -4.94 120.64 119.26 3ia8 n GLU 136 Ca -0.01 -1.48 0.00 0.00 -0.02 0.00 0.00 57.16 55.65 3ia8 n GLU 136 Cb 0.10 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 3ia8 n GLU 136 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ia8 n GLY 137 N 1.29 0.73 3.88 0.62 0.00 -0.48 -5.06 105.19 106.17 3ia8 n GLY 137 Ca 0.16 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3ia8 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ia8 s LYS 138 N -0.58 3.71 0.06 1.61 1.02 -1.26 -4.71 119.74 119.59 3ia8 s LYS 138 Ca 0.00 0.09 -0.21 0.00 0.02 0.00 0.00 55.97 55.87 3ia8 s LYS 138 Cb 0.00 -2.94 -0.06 0.00 -0.52 0.00 0.00 37.83 34.30 3ia8 s LYS 138 CO 0.00 0.53 0.61 -1.17 -0.92 0.00 0.00 175.35 174.40 3ia8 s LEU 139 N -2.15 4.51 -0.06 3.17 2.96 -0.57 -0.87 118.68 125.67 3ia8 s LEU 139 Ca 0.36 1.29 0.06 0.00 -0.22 0.00 0.00 54.13 55.61 3ia8 s LEU 139 Cb -0.13 -2.96 -0.01 0.00 0.50 0.00 0.00 46.19 43.58 3ia8 s LEU 139 CO 0.20 0.21 -0.24 -1.61 -1.32 0.00 0.00 176.35 173.59 3ia8 s GLU 140 N -0.84 2.47 -0.06 1.98 2.02 0.10 0.55 118.70 124.92 3ia8 s GLU 140 Ca 0.31 -0.87 0.04 0.00 0.02 0.00 0.00 54.97 54.46 3ia8 s GLU 140 Cb -0.20 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 31.95 3ia8 s GLU 140 CO 0.20 0.36 -0.17 -1.14 0.02 0.00 0.00 175.26 174.53 3ia8 s GLN 141 N -0.13 2.04 -0.09 1.61 0.74 -0.12 -1.03 119.66 122.67 3ia8 s GLN 141 Ca -0.04 -0.61 0.03 0.00 0.05 0.00 0.00 55.36 54.79 3ia8 s GLN 141 Cb -0.14 -1.67 0.01 0.00 1.10 0.00 0.00 33.01 32.31 3ia8 s GLN 141 CO 0.04 0.16 -0.18 0.99 -0.55 0.00 0.00 175.29 175.75 3ia8 s THR 142 N 0.30 1.65 -0.09 -0.34 2.01 -0.17 -1.31 115.64 117.69 3ia8 s THR 142 Ca -0.10 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.17 3ia8 s THR 142 Cb -0.14 -1.46 -0.00 0.00 0.01 0.00 0.00 72.50 70.90 3ia8 s THR 142 CO 0.04 0.47 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.52 3ia8 s VAL 143 N 0.62 2.15 0.51 3.82 1.01 -0.11 -0.97 120.40 127.43 3ia8 s VAL 143 Ca -0.14 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.86 3ia8 s VAL 143 Cb -0.16 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 3ia8 s VAL 143 CO 0.04 0.56 0.01 -0.44 0.00 0.00 0.00 175.10 175.27 3ia8 s SER 144 N 0.25 4.07 -0.00 3.32 0.01 0.23 -0.38 113.70 121.19 3ia8 s SER 144 Ca -0.15 -1.67 0.02 0.00 1.31 0.00 0.00 55.95 55.45 3ia8 s SER 144 Cb -0.17 0.58 -0.00 0.00 0.21 0.00 0.00 66.02 66.63 3ia8 s SER 144 CO 0.08 -0.88 -0.05 0.00 0.41 0.00 0.00 173.24 172.79 3ia8 s ALA 146 N -2.90 0.43 0.41 1.44 0.00 -0.11 -0.69 121.76 120.34 3ia8 s ALA 146 Ca 0.05 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.79 3ia8 s ALA 146 Cb 0.01 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.06 3ia8 s ALA 146 CO 0.03 0.10 0.23 0.25 0.00 0.00 0.00 175.76 176.36 3ia8 n THR 147 N 2.88 0.00 0.21 0.00 -2.24 0.34 -0.25 114.28 115.23 3ia8 n THR 147 Ca -0.13 -1.73 0.10 0.00 -2.27 0.00 0.00 64.05 60.02 3ia8 n THR 147 Cb 0.58 0.00 0.51 0.00 -2.10 0.00 0.00 70.33 69.32 3ia8 n THR 147 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ia8 n THR 148 N -1.35 1.08 -0.54 4.28 -2.24 -0.69 -2.86 114.28 111.95 3ia8 n THR 148 Ca -0.06 0.58 0.00 0.00 -2.27 0.00 0.00 64.05 62.31 3ia8 n THR 148 Cb 0.49 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 3ia8 n THR 148 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ia8 n THR 149 N -2.17 0.15 -3.71 4.28 -2.24 -1.26 -5.05 114.28 104.27 3ia8 n THR 149 Ca -0.00 -0.30 -0.18 0.00 -2.27 0.00 0.00 64.05 61.29 3ia8 n THR 149 Cb 0.08 1.29 -0.17 0.00 -2.10 0.00 0.00 70.33 69.43 3ia8 n THR 149 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3ia8 s GLN 150 N -0.15 -0.04 0.01 -0.78 2.00 -1.14 -5.18 119.66 114.39 3ia8 s GLN 150 Ca 0.00 0.31 -0.23 0.00 -2.00 0.00 0.00 55.36 53.43 3ia8 s GLN 150 Cb 0.00 -0.44 -0.17 0.00 0.80 0.00 0.00 33.01 33.19 3ia8 s GLN 150 CO 0.00 -0.27 1.31 -1.35 -0.50 0.00 0.00 175.29 174.47 3ia8 h PRO 151 N 8.05 0.18 0.00 1.67 0.11 -1.95 1.00 132.00 141.06 3ia8 h PRO 151 Ca -0.23 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3ia8 h PRO 151 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3ia8 h PRO 151 CO 0.26 0.62 0.00 -2.37 -0.21 0.00 0.00 178.00 176.30 3ia8 n THR 153 N -4.70 0.00 -2.01 -1.15 5.66 -1.26 -4.59 114.28 106.22 3ia8 n THR 153 Ca -0.07 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.52 3ia8 n THR 153 Cb 0.31 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.07 3ia8 n THR 153 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 3ia8 s GLN 154 N -2.50 4.28 -0.07 1.09 0.74 -1.26 -4.49 119.66 117.45 3ia8 s GLN 154 Ca 0.00 2.32 0.01 0.00 0.05 0.00 0.00 55.36 57.74 3ia8 s GLN 154 Cb 0.00 -3.06 -0.05 0.00 1.10 0.00 0.00 33.01 31.00 3ia8 s GLN 154 CO 0.00 -0.33 -0.06 1.58 -0.55 0.00 0.00 175.29 175.93 3ia8 n HIS 155 N 1.17 0.00 -3.99 1.67 -0.00 0.49 -4.38 115.22 110.16 3ia8 n HIS 155 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.61 3ia8 n HIS 155 Cb 0.41 -0.28 -0.13 0.00 -0.00 0.00 0.00 29.99 29.98 3ia8 n HIS 155 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3ia8 s LEU 156 N -5.32 2.07 -0.06 0.27 1.43 -0.72 -0.34 118.68 116.00 3ia8 s LEU 156 Ca -0.09 -0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3ia8 s LEU 156 Cb 0.02 -0.08 0.04 0.00 0.03 0.00 0.00 46.19 46.20 3ia8 s LEU 156 CO 0.18 -0.05 0.13 -2.28 0.23 0.00 0.00 176.35 174.56 3ia8 s HIS 157 N -0.41 -0.14 -0.06 0.29 2.46 -0.37 -0.93 115.29 116.13 3ia8 s HIS 157 Ca -0.03 0.45 -0.12 0.00 0.47 0.00 0.00 55.06 55.83 3ia8 s HIS 157 Cb -0.03 -0.12 0.02 0.00 -0.13 0.00 0.00 32.58 32.32 3ia8 s HIS 157 CO -0.00 -0.17 0.28 0.54 -2.47 0.00 0.00 174.74 172.93 3ia8 s VAL 158 N 1.27 0.03 0.02 0.89 0.11 -0.43 -0.51 120.40 121.78 3ia8 s VAL 158 Ca -0.08 -0.27 0.08 0.00 -2.93 0.00 0.00 61.98 58.78 3ia8 s VAL 158 Cb -0.12 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.21 3ia8 s VAL 158 CO -0.06 -0.15 -0.24 0.42 -3.33 0.00 0.00 175.10 171.75 3ia8 s THR 159 N -0.62 2.33 -0.02 5.04 -4.23 -1.26 -0.95 115.64 115.94 3ia8 s THR 159 Ca -0.07 -1.23 0.07 0.00 -1.18 0.00 0.00 61.69 59.28 3ia8 s THR 159 Cb -0.04 -1.90 -0.02 0.00 1.34 0.00 0.00 72.50 71.88 3ia8 s THR 159 CO 0.02 0.43 -0.23 -0.31 -0.54 0.00 0.00 174.62 173.99 3ia8 s TYR 160 N -0.78 2.04 -0.15 3.99 2.02 0.19 -1.08 117.35 123.58 3ia8 s TYR 160 Ca 0.12 -0.40 -0.17 0.00 -0.37 0.00 0.00 57.07 56.25 3ia8 s TYR 160 Cb -0.10 -1.32 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 3ia8 s TYR 160 CO 0.02 -0.05 0.44 0.21 -1.57 0.00 0.00 175.55 174.60 3ia8 s LYS 161 N -0.50 4.27 0.08 -0.62 2.47 -0.10 -1.52 119.74 123.82 3ia8 s LYS 161 Ca 0.08 0.34 -0.31 0.00 -1.56 0.00 0.00 55.97 54.52 3ia8 s LYS 161 Cb -0.09 -3.48 -0.08 0.00 -1.46 0.00 0.00 37.83 32.73 3ia8 s LYS 161 CO -0.01 0.08 1.47 0.21 0.16 0.00 0.00 175.35 177.26 3ia8 s LYS 162 N 0.91 4.27 -0.09 4.03 2.20 -1.26 -1.18 119.74 128.61 3ia8 s LYS 162 Ca 0.23 2.13 0.14 0.00 -0.36 0.00 0.00 55.97 58.12 3ia8 s LYS 162 Cb -0.15 -3.41 -0.21 0.00 -1.51 0.00 0.00 37.83 32.55 3ia8 s LYS 162 CO 0.09 -0.57 0.17 1.33 -0.36 0.00 0.00 175.35 176.02 3ia8 n VAL 163 N 4.34 0.60 -1.19 4.02 0.24 0.28 -4.93 118.33 121.68 3ia8 n VAL 163 Ca 0.13 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 3ia8 n VAL 163 Cb 0.42 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.49 3ia8 n VAL 163 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10