#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iea s LYS 2 N 0.00 0.42 -0.55 0.38 2.47 -1.26 -5.11 119.74 116.09 1iea s LYS 2 Ca 0.00 0.58 -0.10 0.00 -1.56 0.00 0.00 55.97 54.88 1iea s LYS 2 Cb 0.00 -0.16 0.14 0.00 -1.46 0.00 0.00 37.83 36.35 1iea s LYS 2 CO 0.00 -0.73 0.44 -1.21 0.16 0.00 0.00 175.35 174.02 1iea s GLU 3 N 2.64 2.74 -0.25 4.03 0.41 -1.26 -5.06 118.70 121.95 1iea s GLU 3 Ca 0.14 -1.94 -0.18 0.00 -0.41 0.00 0.00 54.97 52.59 1iea s GLU 3 Cb -0.15 -4.04 -0.03 0.00 -1.78 0.00 0.00 34.13 28.13 1iea s GLU 3 CO -0.20 -1.23 0.49 -1.21 -0.49 0.00 0.00 175.26 172.62 1iea s GLU 4 N 1.08 4.09 0.12 1.61 2.02 -1.26 -5.06 118.70 121.30 1iea s GLU 4 Ca 0.08 0.30 -0.09 0.00 0.02 0.00 0.00 54.97 55.28 1iea s GLU 4 Cb -0.24 -3.63 -0.00 0.00 0.10 0.00 0.00 34.13 30.36 1iea s GLU 4 CO -0.02 -0.30 0.24 -1.01 0.02 0.00 0.00 175.26 174.19 1iea s HIS 5 N 2.13 0.21 -0.04 1.61 3.76 -1.26 -5.09 115.29 116.61 1iea s HIS 5 Ca 0.21 -0.61 -0.01 0.00 -0.15 0.00 0.00 55.06 54.50 1iea s HIS 5 Cb -0.16 -0.04 0.03 0.00 1.11 0.00 0.00 32.58 33.53 1iea s HIS 5 CO 0.09 -0.62 0.02 0.99 -0.85 0.00 0.00 174.74 174.38 1iea s THR 6 N -3.89 0.13 -0.14 1.30 2.01 -1.26 -5.02 115.64 108.77 1iea s THR 6 Ca 0.09 0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.29 1iea s THR 6 Cb 0.04 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 1iea s THR 6 CO -0.07 0.18 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.29 1iea s ILE 7 N 1.61 3.11 -0.08 1.82 1.01 -1.26 -1.23 121.20 126.17 1iea s ILE 7 Ca -0.02 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.03 1iea s ILE 7 Cb -0.13 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.03 1iea s ILE 7 CO -0.03 0.51 -0.17 -0.63 0.00 0.00 0.00 174.94 174.62 1iea s ILE 8 N 0.47 1.51 -0.41 2.92 1.01 0.33 -4.94 121.20 122.08 1iea s ILE 8 Ca -0.09 -0.70 -0.16 0.00 0.00 0.00 0.00 60.65 59.71 1iea s ILE 8 Cb -0.16 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.00 1iea s ILE 8 CO 0.04 0.44 0.37 -1.58 0.00 0.00 0.00 174.94 174.21 1iea s GLN 9 N 0.54 3.07 -0.13 2.79 0.74 -1.26 -0.43 119.66 124.97 1iea s GLN 9 Ca -0.16 -0.86 -0.01 0.00 0.05 0.00 0.00 55.36 54.38 1iea s GLN 9 Cb -0.17 -3.96 -0.02 0.00 1.10 0.00 0.00 33.01 29.96 1iea s GLN 9 CO 0.06 -0.79 -0.09 0.00 -0.55 0.00 0.00 175.29 173.92 1iea s ALA 10 N 1.93 2.78 -0.03 1.58 0.00 -0.47 -5.00 121.76 122.54 1iea s ALA 10 Ca 0.09 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 1iea s ALA 10 Cb -0.18 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.63 1iea s ALA 10 CO 0.12 0.27 0.24 -1.83 0.00 0.00 0.00 175.76 174.56 1iea s GLU 11 N 0.25 0.54 0.15 0.00 -1.05 -1.26 -0.87 118.70 116.45 1iea s GLU 11 Ca -0.06 -0.15 -0.16 0.00 -0.15 0.00 0.00 54.97 54.44 1iea s GLU 11 Cb -0.15 0.24 0.03 0.00 -0.44 0.00 0.00 34.13 33.81 1iea s GLU 11 CO 0.04 -0.13 0.44 -0.59 0.95 0.00 0.00 175.26 175.97 1iea s PHE 12 N -1.06 -0.16 -0.04 4.83 -0.12 -0.20 -4.98 117.98 116.26 1iea s PHE 12 Ca -0.11 -0.16 0.02 0.00 -0.05 0.00 0.00 56.93 56.62 1iea s PHE 12 Cb -0.05 0.30 0.01 0.00 -0.63 0.00 0.00 43.02 42.65 1iea s PHE 12 CO 0.03 -0.78 -0.08 -0.47 -0.05 0.00 0.00 175.22 173.87 1iea s TYR 13 N -3.83 0.97 0.01 3.49 5.04 -1.26 -0.98 117.35 120.79 1iea s TYR 13 Ca 0.06 -0.29 0.08 0.00 -2.44 0.00 0.00 57.07 54.47 1iea s TYR 13 Cb 0.01 -0.76 -0.02 0.00 0.35 0.00 0.00 41.96 41.54 1iea s TYR 13 CO -0.09 -0.18 -0.23 -1.17 -1.34 0.00 0.00 175.55 172.54 1iea s LEU 14 N 0.62 2.10 0.13 6.97 2.96 0.13 -4.99 118.68 126.61 1iea s LEU 14 Ca -0.10 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 53.40 1iea s LEU 14 Cb -0.13 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 1iea s LEU 14 CO 0.01 0.25 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.37 1iea s LEU 15 N -0.86 2.40 0.17 -0.68 1.43 -1.26 -0.18 118.68 119.70 1iea s LEU 15 Ca 0.09 -0.81 0.24 0.00 -1.03 0.00 0.00 54.13 52.63 1iea s LEU 15 Cb -0.09 -0.68 0.91 0.00 0.03 0.00 0.00 46.19 46.36 1iea s LEU 15 CO 0.00 -0.08 1.75 -0.81 0.23 0.00 0.00 176.35 177.44 1iea n PRO 16 N 0.53 0.17 -0.16 1.29 -0.04 -1.26 -4.85 135.00 130.68 1iea n PRO 16 Ca -0.15 0.25 0.27 0.00 -0.04 0.00 0.00 63.50 63.82 1iea n PRO 16 Cb 0.57 -1.74 0.70 0.00 -0.04 0.00 0.00 33.50 32.99 1iea n PRO 16 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1iea h ASP 17 N 0.00 0.03 -4.87 3.54 5.19 -2.03 -3.46 116.42 114.82 1iea h ASP 17 Ca 0.00 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.13 1iea h ASP 17 Cb 0.53 -0.00 0.12 0.00 0.18 0.00 0.00 39.33 40.16 1iea h ASP 17 CO 0.00 0.01 -0.58 0.29 -3.12 0.00 0.00 179.24 175.84 1iea n LYS 18 N -4.30 -5.76 -4.24 3.56 5.02 0.75 -5.02 118.16 108.17 1iea n LYS 18 Ca 0.17 0.67 -0.32 0.00 -2.02 0.00 0.00 58.31 56.81 1iea n LYS 18 Cb 0.90 -5.18 -0.09 0.00 -0.02 0.00 0.00 35.03 30.64 1iea n LYS 18 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1iea s ARG 19 N -5.53 2.68 0.20 1.97 0.52 -0.91 -4.92 118.95 112.95 1iea s ARG 19 Ca 0.22 -0.70 0.04 0.00 -0.52 0.00 0.00 55.73 54.77 1iea s ARG 19 Cb -0.10 -2.61 -0.05 0.00 0.52 0.00 0.00 34.95 32.71 1iea s ARG 19 CO 0.58 0.59 -0.06 0.20 0.02 0.00 0.00 175.30 176.63 1iea s GLY 20 N -1.82 1.36 -0.25 -3.53 0.00 -1.26 0.20 107.32 102.01 1iea s GLY 20 Ca 0.22 -1.65 -0.21 0.00 0.00 0.00 0.00 44.72 43.07 1iea s GLY 20 CO 0.13 -1.65 0.65 1.85 0.00 0.00 0.00 173.10 174.08 1iea s GLU 21 N -3.79 0.74 -0.05 2.90 2.12 -0.15 -4.92 118.70 115.55 1iea s GLU 21 Ca 0.23 0.97 -0.01 0.00 0.36 0.00 0.00 54.97 56.52 1iea s GLU 21 Cb 0.04 0.31 0.03 0.00 0.26 0.00 0.00 34.13 34.77 1iea s GLU 21 CO 0.05 -0.11 0.01 0.12 -0.54 0.00 0.00 175.26 174.79 1iea s PHE 22 N 0.63 0.50 0.11 5.30 2.19 -1.26 -1.03 117.98 124.41 1iea s PHE 22 Ca -0.02 -0.06 -0.09 0.00 0.33 0.00 0.00 56.93 57.08 1iea s PHE 22 Cb -0.05 -0.65 -0.00 0.00 -1.31 0.00 0.00 43.02 41.02 1iea s PHE 22 CO -0.04 -0.25 0.22 0.00 1.83 0.00 0.00 175.22 176.99 1iea s MET 23 N 1.67 0.92 0.03 10.12 0.23 -0.05 -1.79 119.30 130.43 1iea s MET 23 Ca -0.00 -0.99 0.07 0.00 -1.03 0.00 0.00 55.69 53.74 1iea s MET 23 Cb -0.13 0.36 -0.03 0.00 -1.53 0.00 0.00 34.83 33.50 1iea s MET 23 CO -0.03 -0.31 -0.19 -0.06 -2.03 0.00 0.00 175.02 172.40 1iea s PHE 24 N -3.88 2.53 -0.01 3.16 0.40 -0.42 -1.37 117.98 118.38 1iea s PHE 24 Ca 0.07 -0.28 0.05 0.00 -0.60 0.00 0.00 56.93 56.18 1iea s PHE 24 Cb 0.04 -1.47 -0.01 0.00 0.51 0.00 0.00 43.02 42.09 1iea s PHE 24 CO -0.09 0.21 -0.17 0.34 0.70 0.00 0.00 175.22 176.21 1iea s ASP 25 N -1.30 2.03 -0.15 1.36 -1.08 0.42 -1.27 116.67 116.69 1iea s ASP 25 Ca 0.14 -0.31 -0.01 0.00 -0.52 0.00 0.00 52.55 51.84 1iea s ASP 25 Cb -0.10 -0.24 0.04 0.00 -1.46 0.00 0.00 42.92 41.15 1iea s ASP 25 CO 0.04 0.21 -0.04 0.12 0.52 0.00 0.00 175.17 176.02 1iea s PHE 26 N -0.39 1.47 -1.41 -5.34 5.36 0.18 -0.51 117.98 117.33 1iea s PHE 26 Ca 0.06 -0.89 -0.14 0.00 -0.96 0.00 0.00 56.93 55.01 1iea s PHE 26 Cb -0.07 -1.21 0.12 0.00 -0.34 0.00 0.00 43.02 41.52 1iea s PHE 26 CO -0.01 -0.56 0.59 -0.25 -1.46 0.00 0.00 175.22 173.53 1iea n ASP 27 N 4.94 -3.24 0.00 6.13 8.00 -0.37 -0.50 116.55 131.51 1iea n ASP 27 Ca -0.11 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.75 1iea n ASP 27 Cb 0.48 -2.69 0.00 0.00 -0.02 0.00 0.00 41.12 38.89 1iea n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iea n GLY 28 N -1.20 0.68 3.34 0.44 0.00 -1.26 -5.06 105.19 102.14 1iea n GLY 28 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1iea n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iea s ASP 29 N -2.95 3.05 0.01 1.61 1.01 0.35 -5.05 116.67 114.69 1iea s ASP 29 Ca 0.00 -0.66 -0.30 0.00 0.71 0.00 0.00 52.55 52.30 1iea s ASP 29 Cb 0.00 -0.23 -0.04 0.00 1.01 0.00 0.00 42.92 43.66 1iea s ASP 29 CO 0.00 0.18 1.10 -0.70 0.21 0.00 0.00 175.17 175.96 1iea s GLU 30 N -1.67 4.47 -0.17 8.23 2.12 -1.26 0.47 118.70 130.90 1iea s GLU 30 Ca 0.11 1.59 -0.24 0.00 0.36 0.00 0.00 54.97 56.79 1iea s GLU 30 Cb -0.10 -3.44 -0.21 0.00 0.26 0.00 0.00 34.13 30.65 1iea s GLU 30 CO 0.04 -0.20 0.45 0.82 -0.54 0.00 0.00 175.26 175.83 1iea h ILE 31 N 4.74 1.26 -2.54 -3.70 2.04 -1.53 -3.40 117.51 114.38 1iea h ILE 31 Ca -0.40 -2.16 0.10 0.00 1.00 0.00 0.00 64.86 63.40 1iea h ILE 31 Cb 1.20 2.60 -0.11 0.00 -0.74 0.00 0.00 36.82 39.77 1iea h ILE 31 CO 0.80 0.43 0.40 0.72 0.00 0.00 0.00 178.15 180.49 1iea s PHE 32 N -2.26 -0.30 0.04 1.37 -0.71 -1.25 0.25 117.98 115.13 1iea s PHE 32 Ca -0.22 0.05 -0.03 0.00 -1.04 0.00 0.00 56.93 55.69 1iea s PHE 32 Cb 0.01 0.60 -0.02 0.00 -1.21 0.00 0.00 43.02 42.39 1iea s PHE 32 CO 0.60 -0.79 0.02 -3.38 -1.34 0.00 0.00 175.22 170.33 1iea s HIS 33 N -3.40 0.35 -0.18 3.49 -3.43 -0.51 -1.31 115.29 110.30 1iea s HIS 33 Ca 0.07 -0.76 -0.09 0.00 -0.80 0.00 0.00 55.06 53.49 1iea s HIS 33 Cb -0.02 -0.25 -0.05 0.00 -1.43 0.00 0.00 32.58 30.83 1iea s HIS 33 CO -0.04 -0.35 0.11 0.08 -2.00 0.00 0.00 174.74 172.55 1iea s VAL 34 N -3.01 5.26 -0.48 -5.38 1.01 -0.74 0.19 120.40 117.25 1iea s VAL 34 Ca -0.02 0.13 -0.28 0.00 0.00 0.00 0.00 61.98 61.81 1iea s VAL 34 Cb 0.01 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1iea s VAL 34 CO -0.07 0.48 1.35 -0.62 0.00 0.00 0.00 175.10 176.24 1iea s ASP 35 N 0.10 6.33 0.13 3.32 -1.08 0.86 -4.58 116.67 121.74 1iea s ASP 35 Ca 0.08 0.55 -0.18 0.00 -0.52 0.00 0.00 52.55 52.47 1iea s ASP 35 Cb -0.11 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.76 1iea s ASP 35 CO -0.00 -1.49 1.75 0.40 0.52 0.00 0.00 175.17 176.34 1iea h ILE 36 N 6.38 1.11 -0.47 4.11 1.08 -1.91 1.11 117.51 128.92 1iea h ILE 36 Ca -0.26 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 63.93 1iea h ILE 36 Cb 1.09 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 35.59 1iea h ILE 36 CO 1.13 0.11 0.22 -0.33 -0.69 0.00 0.00 178.15 178.59 1iea h GLU 37 N 0.35 0.69 -0.02 2.37 4.39 -1.98 -2.68 114.58 117.70 1iea h GLU 37 Ca 0.10 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1iea h GLU 37 Cb 0.03 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1iea h GLU 37 CO -0.02 0.58 -0.05 1.63 -1.16 0.00 0.00 179.01 180.00 1iea n LYS 38 N -4.62 1.65 -3.94 2.33 5.02 -1.15 -4.98 118.16 112.47 1iea n LYS 38 Ca 0.01 -1.06 -0.40 0.00 -2.02 0.00 0.00 58.31 54.84 1iea n LYS 38 Cb 0.12 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.67 1iea n LYS 38 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1iea n SER 39 N 0.25 -4.21 -3.92 4.39 2.88 0.38 -4.97 113.62 108.43 1iea n SER 39 Ca 0.17 -1.19 -0.10 0.00 -1.33 0.00 0.00 58.87 56.42 1iea n SER 39 Cb 0.40 -2.33 -0.11 0.00 -0.75 0.00 0.00 64.21 61.42 1iea n SER 39 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1iea s GLU 40 N -6.89 0.32 -0.09 -1.46 -1.05 -1.06 -4.81 118.70 103.66 1iea s GLU 40 Ca 0.45 -0.39 -0.30 0.00 -0.15 0.00 0.00 54.97 54.58 1iea s GLU 40 Cb -0.22 0.13 -0.02 0.00 -0.44 0.00 0.00 34.13 33.58 1iea s GLU 40 CO 0.93 -0.06 1.04 0.99 0.95 0.00 0.00 175.26 179.11 1iea s THR 41 N -1.13 4.68 -0.35 1.83 2.01 -1.26 -0.10 115.64 121.33 1iea s THR 41 Ca -0.12 1.96 -0.03 0.00 0.31 0.00 0.00 61.69 63.80 1iea s THR 41 Cb -0.07 -4.26 0.07 0.00 0.01 0.00 0.00 72.50 68.25 1iea s THR 41 CO 0.00 0.02 0.10 -0.63 -0.69 0.00 0.00 174.62 173.42 1iea s ILE 42 N 1.96 3.28 0.33 1.82 -1.09 0.13 -4.95 121.20 122.68 1iea s ILE 42 Ca 0.50 -1.58 -0.28 0.00 -2.23 0.00 0.00 60.65 57.06 1iea s ILE 42 Cb -0.20 -3.02 -0.09 0.00 -1.58 0.00 0.00 42.46 37.57 1iea s ILE 42 CO 0.20 -0.34 1.14 0.26 -1.23 0.00 0.00 174.94 174.96 1iea s TRP 43 N 1.24 3.33 0.20 3.97 0.52 -1.26 -1.42 118.94 125.52 1iea s TRP 43 Ca 0.01 1.61 -0.08 0.00 0.02 0.00 0.00 56.10 57.66 1iea s TRP 43 Cb -0.21 -3.35 0.12 0.00 -1.15 0.00 0.00 33.47 28.88 1iea s TRP 43 CO -0.01 -0.95 1.71 -0.09 0.02 0.00 0.00 176.95 177.62 1iea h ARG 44 N 3.29 1.13 -4.88 4.98 9.65 -0.42 -3.41 114.38 124.72 1iea h ARG 44 Ca -0.48 -0.28 -0.57 0.00 -1.10 0.00 0.00 59.98 57.55 1iea h ARG 44 Cb 1.22 -0.14 -0.33 0.00 -1.39 0.00 0.00 29.97 29.33 1iea h ARG 44 CO 0.65 1.01 -0.84 -0.51 2.80 0.00 0.00 179.97 183.08 1iea s LEU 45 N -9.51 1.81 0.37 3.80 1.43 -1.26 -5.05 118.68 110.27 1iea s LEU 45 Ca -0.12 -0.38 0.11 0.00 -1.03 0.00 0.00 54.13 52.72 1iea s LEU 45 Cb 0.15 -1.00 0.89 0.00 0.03 0.00 0.00 46.19 46.26 1iea s LEU 45 CO 0.85 0.09 1.85 -0.08 0.23 0.00 0.00 176.35 179.28 1iea h GLU 46 N 6.78 0.59 -0.16 1.70 4.81 -1.98 -1.51 114.58 124.81 1iea h GLU 46 Ca -0.28 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 58.96 1iea h GLU 46 Cb 1.20 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1iea h GLU 46 CO 0.47 0.39 0.19 1.05 -0.73 0.00 0.00 179.01 180.38 1iea h GLU 47 N 0.61 0.00 -0.30 1.92 4.11 -1.97 -1.81 114.58 117.14 1iea h GLU 47 Ca 0.48 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.81 1iea h GLU 47 Cb 0.91 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1iea h GLU 47 CO -0.23 0.00 -0.24 0.74 0.07 0.00 0.00 179.01 179.35 1iea h PHE 48 N 0.00 0.66 -0.97 2.06 0.04 -1.69 -3.23 116.94 113.80 1iea h PHE 48 Ca 0.08 -0.14 0.28 0.00 2.80 0.00 0.00 57.97 60.99 1iea h PHE 48 Cb 0.45 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 1iea h PHE 48 CO 0.00 0.77 0.70 0.00 -0.60 0.00 0.00 178.31 179.18 1iea h ALA 49 N 1.23 2.92 -0.01 2.45 0.00 -1.47 -1.96 119.26 122.43 1iea h ALA 49 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1iea h ALA 49 Cb 0.69 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1iea h ALA 49 CO 0.05 -1.20 -0.03 0.36 0.00 0.00 0.00 179.25 178.44 1iea n LYS 50 N -4.25 1.16 -0.00 0.00 2.85 -1.22 -3.84 118.16 112.86 1iea n LYS 50 Ca 0.20 -0.39 0.05 0.00 -1.05 0.00 0.00 58.31 57.12 1iea n LYS 50 Cb 1.04 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 33.87 1iea n LYS 50 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1iea n PHE 51 N -0.58 0.00 -3.65 5.58 3.01 -0.74 -5.05 117.46 116.03 1iea n PHE 51 Ca 0.20 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.57 1iea n PHE 51 Cb 0.24 -0.09 -0.02 0.00 -0.01 0.00 0.00 39.48 39.60 1iea n PHE 51 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1iea s ALA 52 N -2.18 -1.46 0.22 4.37 0.00 -1.24 -5.17 121.76 116.29 1iea s ALA 52 Ca 0.01 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.13 1iea s ALA 52 Cb 0.07 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.94 1iea s ALA 52 CO 0.38 -0.91 0.07 -1.54 0.00 0.00 0.00 175.76 173.76 1iea s SER 53 N -2.82 1.00 -0.25 0.00 1.04 -1.26 -4.71 113.70 106.70 1iea s SER 53 Ca 0.07 -1.31 -0.12 0.00 0.48 0.00 0.00 55.95 55.07 1iea s SER 53 Cb -0.03 0.19 0.09 0.00 0.10 0.00 0.00 66.02 66.36 1iea s SER 53 CO -0.02 -0.70 0.58 0.12 0.98 0.00 0.00 173.24 174.20 1iea s PHE 54 N -3.80 -0.98 -0.59 5.02 5.36 -1.26 -5.12 117.98 116.62 1iea s PHE 54 Ca 0.33 1.90 -0.27 0.00 -0.96 0.00 0.00 56.93 57.93 1iea s PHE 54 Cb 0.07 0.54 -0.01 0.00 -0.34 0.00 0.00 43.02 43.28 1iea s PHE 54 CO 0.10 -0.51 1.72 -2.00 -1.46 0.00 0.00 175.22 173.07 1iea s GLU 55 N 1.96 2.87 0.58 10.12 2.12 -1.26 -4.72 118.70 130.37 1iea s GLU 55 Ca -0.08 0.59 0.28 0.00 0.36 0.00 0.00 54.97 56.12 1iea s GLU 55 Cb -0.08 -4.30 1.50 0.00 0.26 0.00 0.00 34.13 31.51 1iea s GLU 55 CO -0.17 -2.45 1.95 0.00 -0.54 0.00 0.00 175.26 174.05 1iea h ALA 56 N 13.60 2.17 0.00 6.30 0.00 -1.93 -1.12 119.26 138.28 1iea h ALA 56 Ca -0.27 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1iea h ALA 56 Cb 1.14 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1iea h ALA 56 CO 1.20 -0.64 -0.13 1.96 0.00 0.00 0.00 179.25 181.64 1iea h GLN 57 N 0.00 0.00 0.00 0.00 1.08 -1.89 -1.49 115.11 112.80 1iea h GLN 57 Ca 0.20 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.31 1iea h GLN 57 Cb 1.05 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.46 1iea h GLN 57 CO -0.00 0.13 -0.44 0.78 -0.95 0.00 0.00 178.83 178.34 1iea h GLY 58 N 0.43 0.00 0.90 3.46 0.00 -1.61 0.34 103.07 106.59 1iea h GLY 58 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1iea h GLY 58 CO 0.02 0.00 -0.51 0.00 0.00 0.00 0.00 176.54 176.04 1iea h ALA 59 N 1.56 0.22 -0.62 3.60 0.00 -1.41 -2.59 119.26 120.01 1iea h ALA 59 Ca -0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1iea h ALA 59 Cb 0.85 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1iea h ALA 59 CO 0.06 0.41 0.32 -0.07 0.00 0.00 0.00 179.25 179.97 1iea h LEU 60 N 0.17 0.78 -0.09 0.00 3.38 -1.05 0.32 115.31 118.82 1iea h LEU 60 Ca -0.03 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.87 1iea h LEU 60 Cb 1.15 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 1iea h LEU 60 CO 0.11 0.67 -0.15 0.00 0.09 0.00 0.00 178.44 179.15 1iea h ALA 61 N 1.15 -0.11 -0.86 1.53 0.00 -0.97 -0.58 119.26 119.43 1iea h ALA 61 Ca 0.22 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1iea h ALA 61 Cb 0.07 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1iea h ALA 61 CO -0.03 -0.62 0.55 -0.91 0.00 0.00 0.00 179.25 178.24 1iea h ASN 62 N -0.21 0.90 -0.53 0.00 4.21 -1.01 -1.24 115.58 117.71 1iea h ASN 62 Ca 0.08 -0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.55 1iea h ASN 62 Cb 0.33 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 37.30 1iea h ASN 62 CO -0.22 0.61 0.18 0.40 -1.29 0.00 0.00 177.43 177.12 1iea h ILE 63 N 1.05 1.22 -0.69 2.81 1.08 -0.26 -0.80 117.51 121.93 1iea h ILE 63 Ca 0.35 -0.75 0.04 0.00 -0.39 0.00 0.00 64.86 64.10 1iea h ILE 63 Cb 0.04 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 34.33 1iea h ILE 63 CO -0.13 0.29 0.45 0.00 -0.69 0.00 0.00 178.15 178.08 1iea h ALA 64 N 1.36 1.64 -0.27 1.87 0.00 0.07 0.89 119.26 124.82 1iea h ALA 64 Ca 0.19 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 1iea h ALA 64 Cb 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1iea h ALA 64 CO -0.01 0.28 -0.57 0.28 0.00 0.00 0.00 179.25 179.23 1iea h VAL 65 N 0.80 1.28 -0.35 0.00 2.07 -0.71 -2.63 116.25 116.70 1iea h VAL 65 Ca 0.28 -1.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.00 1iea h VAL 65 Cb 0.11 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1iea h VAL 65 CO -0.08 0.57 0.01 0.44 0.02 0.00 0.00 177.57 178.53 1iea h ASP 66 N 0.65 0.51 -0.19 0.57 3.32 0.08 -0.76 116.42 120.60 1iea h ASP 66 Ca 0.01 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1iea h ASP 66 Cb 1.17 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1iea h ASP 66 CO 0.12 0.57 0.11 0.50 -1.72 0.00 0.00 179.24 178.82 1iea h LYS 67 N 0.53 0.26 -0.13 3.56 3.64 -0.73 -1.21 116.57 122.48 1iea h LYS 67 Ca 0.11 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1iea h LYS 67 Cb 0.32 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1iea h LYS 67 CO 0.01 0.25 0.02 0.00 -2.27 0.00 0.00 179.45 177.45 1iea h ALA 68 N 1.00 0.18 -0.10 5.00 0.00 -1.05 -2.98 119.26 121.31 1iea h ALA 68 Ca 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1iea h ALA 68 Cb 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1iea h ALA 68 CO -0.01 -0.16 -0.03 -0.91 0.00 0.00 0.00 179.25 178.14 1iea h ASN 69 N -0.00 0.13 -0.45 0.00 2.35 -1.07 -2.51 115.58 114.02 1iea h ASN 69 Ca 0.04 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1iea h ASN 69 Cb 0.30 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1iea h ASN 69 CO 0.00 0.18 0.25 0.25 -1.65 0.00 0.00 177.43 176.47 1iea h LEU 70 N 0.14 0.56 -0.65 1.61 5.85 -1.06 0.12 115.31 121.88 1iea h LEU 70 Ca 0.03 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1iea h LEU 70 Cb 0.15 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1iea h LEU 70 CO 0.01 0.49 0.41 0.44 -0.34 0.00 0.00 178.44 179.44 1iea h ASP 71 N 0.59 0.77 -0.62 1.25 3.32 -1.47 0.22 116.42 120.47 1iea h ASP 71 Ca 0.16 -0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.22 1iea h ASP 71 Cb 0.05 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 1iea h ASP 71 CO -0.03 0.58 0.34 0.58 -1.72 0.00 0.00 179.24 178.99 1iea h VAL 72 N 0.88 0.97 -0.54 -1.35 2.07 -1.21 0.02 116.25 117.09 1iea h VAL 72 Ca 0.24 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 67.42 1iea h VAL 72 Cb -0.06 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1iea h VAL 72 CO -0.05 0.12 -0.11 0.24 0.02 0.00 0.00 177.57 177.78 1iea h MET 73 N 0.63 1.03 -0.50 1.57 2.86 -0.21 -0.30 114.93 120.01 1iea h MET 73 Ca 0.28 -0.39 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1iea h MET 73 Cb 0.17 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1iea h MET 73 CO -0.17 1.08 0.02 0.87 1.06 0.00 0.00 176.91 179.76 1iea h LYS 74 N 0.91 0.83 0.39 1.72 1.57 -0.03 -1.77 116.57 120.19 1iea h LYS 74 Ca 0.14 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1iea h LYS 74 Cb 0.69 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1iea h LYS 74 CO 0.05 0.82 -0.19 0.93 -0.57 0.00 0.00 179.45 180.49 1iea h GLU 75 N 0.78 -0.51 -0.44 3.15 5.08 -0.62 0.88 114.58 122.90 1iea h GLU 75 Ca 0.15 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.68 1iea h GLU 75 Cb 0.44 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1iea h GLU 75 CO 0.02 -0.24 0.32 -0.09 -1.00 0.00 0.00 179.01 178.01 1iea h ARG 76 N -0.71 0.00 -0.32 2.33 2.43 -0.97 0.20 114.38 117.34 1iea h ARG 76 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1iea h ARG 76 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1iea h ARG 76 CO 0.09 0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.42 1iea n SER 77 N -4.39 3.16 -2.91 -3.80 3.41 -0.67 -4.94 113.62 103.47 1iea n SER 77 Ca 0.08 -1.96 -0.22 0.00 -0.26 0.00 0.00 58.87 56.51 1iea n SER 77 Cb 0.52 -0.20 0.03 0.00 -0.26 0.00 0.00 64.21 64.30 1iea n SER 77 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1iea n ASN 78 N 1.32 -6.10 -3.62 4.04 5.15 0.69 -1.92 115.26 114.82 1iea n ASN 78 Ca 0.18 -0.26 -0.23 0.00 -0.60 0.00 0.00 54.58 53.68 1iea n ASN 78 Cb 0.57 -4.93 0.07 0.00 -0.53 0.00 0.00 39.78 34.96 1iea n ASN 78 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1iea n ASN 79 N -2.42 -4.82 -4.62 1.20 3.02 0.30 -4.95 115.26 102.96 1iea n ASN 79 Ca -0.13 -0.62 -0.41 0.00 -0.03 0.00 0.00 54.58 53.40 1iea n ASN 79 Cb 0.63 -4.81 -0.06 0.00 -0.61 0.00 0.00 39.78 34.93 1iea n ASN 79 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1iea s THR 80 N -3.35 4.98 0.00 3.41 2.01 -0.81 -5.05 115.64 116.83 1iea s THR 80 Ca 0.43 1.10 0.00 0.00 0.31 0.00 0.00 61.69 63.53 1iea s THR 80 Cb -0.20 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.38 1iea s THR 80 CO 0.75 0.01 0.00 -0.81 -0.69 0.00 0.00 174.62 173.88 1iea n PRO 81 N 5.73 0.63 -3.09 4.92 -0.04 -1.26 -5.02 135.00 136.87 1iea n PRO 81 Ca -0.01 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1iea n PRO 81 Cb 0.49 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.94 1iea n PRO 81 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1iea n ASP 82 N -1.08 -1.08 -4.87 3.54 -0.08 -1.26 -5.16 116.55 106.56 1iea n ASP 82 Ca 0.00 -2.21 -0.30 0.00 -1.51 0.00 0.00 54.79 50.77 1iea n ASP 82 Cb 0.00 1.93 0.04 0.00 2.34 0.00 0.00 41.12 45.42 1iea n ASP 82 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iea s ALA 83 N -2.20 2.91 -0.30 -1.67 0.00 -1.26 -5.03 121.76 114.21 1iea s ALA 83 Ca 0.17 -0.22 -0.13 0.00 0.00 0.00 0.00 51.96 51.79 1iea s ALA 83 Cb -0.01 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 1iea s ALA 83 CO 0.12 -1.02 0.25 -0.80 0.00 0.00 0.00 175.76 174.31 1iea s ASN 84 N -4.23 6.08 -0.30 0.00 0.01 -1.26 -4.80 114.94 110.44 1iea s ASN 84 Ca 0.57 -0.10 -0.23 0.00 -0.71 0.00 0.00 52.86 52.39 1iea s ASN 84 Cb -0.11 -2.15 -0.00 0.00 0.41 0.00 0.00 41.25 39.40 1iea s ASN 84 CO 0.53 -0.15 0.76 -0.69 -1.51 0.00 0.00 177.10 176.03 1iea s VAL 85 N 1.83 4.83 0.45 1.60 1.01 0.23 -4.49 120.40 125.85 1iea s VAL 85 Ca 0.09 1.14 -0.23 0.00 0.00 0.00 0.00 61.98 62.97 1iea s VAL 85 Cb -0.16 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 1iea s VAL 85 CO 0.11 -0.22 1.14 0.00 0.00 0.00 0.00 175.10 176.13 1iea s ALA 86 N 2.88 2.99 0.43 5.51 0.00 -1.26 -2.02 121.76 130.29 1iea s ALA 86 Ca 0.31 0.87 -0.08 0.00 0.00 0.00 0.00 51.96 53.06 1iea s ALA 86 Cb -0.14 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 1iea s ALA 86 CO 0.12 -0.55 0.77 -1.25 0.00 0.00 0.00 175.76 174.85 1iea s PRO 87 N -2.68 3.68 0.11 0.00 0.04 -1.26 -4.50 135.00 130.39 1iea s PRO 87 Ca 0.63 0.36 -0.06 0.00 0.04 0.00 0.00 61.00 61.97 1iea s PRO 87 Cb -0.27 -2.39 -0.06 0.00 0.04 0.00 0.00 34.50 31.83 1iea s PRO 87 CO 0.33 -0.10 0.37 -1.21 0.04 0.00 0.00 177.00 176.42 1iea s GLU 88 N -4.19 3.64 -0.06 4.56 2.02 0.67 -4.90 118.70 120.45 1iea s GLU 88 Ca 0.50 -0.04 0.01 0.00 0.02 0.00 0.00 54.97 55.46 1iea s GLU 88 Cb -0.10 -2.90 0.02 0.00 0.10 0.00 0.00 34.13 31.24 1iea s GLU 88 CO 0.37 0.51 -0.08 0.08 0.02 0.00 0.00 175.26 176.15 1iea s VAL 89 N -1.57 0.84 -0.08 2.63 1.01 -1.26 -0.94 120.40 121.03 1iea s VAL 89 Ca 0.38 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1iea s VAL 89 Cb -0.13 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.46 1iea s VAL 89 CO 0.22 0.29 -0.12 -0.89 0.00 0.00 0.00 175.10 174.60 1iea s THR 90 N 0.85 1.21 -0.20 3.92 2.01 -0.22 -4.97 115.64 118.24 1iea s THR 90 Ca -0.12 -0.49 -0.06 0.00 0.31 0.00 0.00 61.69 61.34 1iea s THR 90 Cb -0.15 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 1iea s THR 90 CO 0.01 0.38 0.02 -0.69 -0.69 0.00 0.00 174.62 173.65 1iea s VAL 91 N 0.89 4.09 0.17 3.82 1.01 -1.26 -0.20 120.40 128.94 1iea s VAL 91 Ca -0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 1iea s VAL 91 Cb -0.15 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1iea s VAL 91 CO 0.01 0.42 0.14 -1.48 0.00 0.00 0.00 175.10 174.19 1iea s LEU 92 N 1.01 1.31 0.18 3.92 2.34 0.04 -4.98 118.68 122.50 1iea s LEU 92 Ca 0.02 -1.24 0.04 0.00 0.06 0.00 0.00 54.13 53.00 1iea s LEU 92 Cb -0.14 0.51 -0.03 0.00 -0.56 0.00 0.00 46.19 45.97 1iea s LEU 92 CO 0.02 -0.82 0.29 -0.94 -1.06 0.00 0.00 176.35 173.84 1iea s SER 93 N -3.09 6.25 0.14 1.48 1.04 -1.26 0.62 113.70 118.89 1iea s SER 93 Ca 0.30 0.11 -0.04 0.00 0.48 0.00 0.00 55.95 56.80 1iea s SER 93 Cb 0.06 -1.85 -0.04 0.00 0.10 0.00 0.00 66.02 64.30 1iea s SER 93 CO 0.07 0.02 1.36 -0.09 0.98 0.00 0.00 173.24 175.57 1iea h ARG 94 N 1.86 0.47 -4.55 4.02 2.43 -1.17 -3.46 114.38 113.99 1iea h ARG 94 Ca -0.49 -0.43 -0.22 0.00 -0.81 0.00 0.00 59.98 58.02 1iea h ARG 94 Cb 1.21 0.10 -0.15 0.00 -0.42 0.00 0.00 29.97 30.71 1iea h ARG 94 CO 0.66 1.07 -0.64 -1.12 -1.51 0.00 0.00 179.97 178.43 1iea s SER 95 N -7.04 0.41 0.28 -3.80 0.01 -1.26 -5.05 113.70 97.24 1iea s SER 95 Ca -0.06 -1.28 -0.30 0.00 1.31 0.00 0.00 55.95 55.62 1iea s SER 95 Cb 0.09 0.30 -0.13 0.00 0.21 0.00 0.00 66.02 66.49 1iea s SER 95 CO 0.86 -0.75 1.41 -2.65 0.41 0.00 0.00 173.24 172.52 1iea n PRO 96 N -0.19 2.20 -2.81 12.44 -0.02 -1.26 -4.90 135.00 140.45 1iea n PRO 96 Ca -0.03 0.78 -0.43 0.00 -2.02 0.00 0.00 63.50 61.80 1iea n PRO 96 Cb 0.65 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 1iea n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1iea s VAL 97 N -0.38 4.49 -0.14 -1.45 1.01 -1.26 -5.03 120.40 117.64 1iea s VAL 97 Ca 0.63 0.88 -0.00 0.00 0.00 0.00 0.00 61.98 63.48 1iea s VAL 97 Cb -0.59 -4.42 -0.01 0.00 0.00 0.00 0.00 36.38 31.35 1iea s VAL 97 CO 0.53 -0.77 -0.12 0.20 0.00 0.00 0.00 175.10 174.94 1iea s ASN 98 N 2.18 4.05 0.32 3.32 0.01 -1.26 -5.06 114.94 118.50 1iea s ASN 98 Ca 0.38 -0.33 -0.28 0.00 -0.71 0.00 0.00 52.86 51.92 1iea s ASN 98 Cb -0.10 -1.62 -0.13 0.00 0.41 0.00 0.00 41.25 39.81 1iea s ASN 98 CO 0.25 0.15 1.27 0.18 -1.51 0.00 0.00 177.10 177.45 1iea n LEU 99 N 3.60 3.30 0.00 0.60 4.77 -1.26 -2.15 117.00 125.85 1iea n LEU 99 Ca -0.18 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 1iea n LEU 99 Cb 0.53 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 1iea n LEU 99 CO 0.31 -0.58 0.00 0.61 -1.33 0.00 0.00 177.39 176.39 1iea n GLY 100 N 1.00 2.52 3.53 -0.72 0.00 -0.52 -4.98 105.19 106.02 1iea n GLY 100 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1iea n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iea s GLU 101 N 0.00 3.52 0.19 1.61 2.02 -0.92 -4.91 118.70 120.21 1iea s GLU 101 Ca 0.00 -0.62 -0.31 0.00 0.02 0.00 0.00 54.97 54.05 1iea s GLU 101 Cb 0.00 -3.80 -0.16 0.00 0.10 0.00 0.00 34.13 30.27 1iea s GLU 101 CO 0.00 -0.43 0.96 -2.30 0.02 0.00 0.00 175.26 173.51 1iea n PRO 102 N 5.11 0.81 -3.99 0.39 -0.02 -1.26 -4.32 135.00 131.72 1iea n PRO 102 Ca -0.13 0.29 -0.18 0.00 -2.02 0.00 0.00 63.50 61.46 1iea n PRO 102 Cb 0.50 -1.63 -0.07 0.00 -0.02 0.00 0.00 33.50 32.28 1iea n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1iea n ASN 103 N 1.77 -0.27 -3.87 2.55 2.85 0.58 -4.99 115.26 113.87 1iea n ASN 103 Ca 0.15 -2.92 -0.22 0.00 -0.11 0.00 0.00 54.58 51.48 1iea n ASN 103 Cb 0.25 1.36 -0.17 0.00 1.24 0.00 0.00 39.78 42.46 1iea n ASN 103 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1iea s ILE 104 N -3.13 0.60 -0.08 -1.44 1.01 -1.26 -1.36 121.20 115.53 1iea s ILE 104 Ca 0.32 -0.10 -0.23 0.00 0.00 0.00 0.00 60.65 60.64 1iea s ILE 104 Cb 0.02 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 1iea s ILE 104 CO 0.22 0.26 0.68 -0.76 0.00 0.00 0.00 174.94 175.35 1iea s LEU 105 N 1.30 4.29 -0.15 2.97 1.43 0.19 -0.51 118.68 128.20 1iea s LEU 105 Ca -0.05 1.13 -0.02 0.00 -1.03 0.00 0.00 54.13 54.16 1iea s LEU 105 Cb -0.14 -3.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.02 1iea s LEU 105 CO -0.02 -0.13 -0.07 -0.63 0.23 0.00 0.00 176.35 175.73 1iea s ILE 106 N 0.93 3.58 -0.47 -0.59 1.01 0.20 -0.31 121.20 125.55 1iea s ILE 106 Ca 0.36 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 1iea s ILE 106 Cb -0.17 -2.55 0.12 0.00 0.01 0.00 0.00 42.46 39.87 1iea s ILE 106 CO 0.17 0.50 0.27 0.00 0.00 0.00 0.00 174.94 175.88 1iea s PHE 108 N 0.85 3.09 -0.21 0.00 5.36 0.73 -1.38 117.98 126.41 1iea s PHE 108 Ca 0.10 0.47 -0.06 0.00 -0.96 0.00 0.00 56.93 56.48 1iea s PHE 108 Cb -0.22 -3.46 -0.03 0.00 -0.34 0.00 0.00 43.02 38.97 1iea s PHE 108 CO -0.04 -0.79 0.04 0.42 -1.46 0.00 0.00 175.22 173.40 1iea s ILE 109 N 3.14 4.27 0.13 3.12 1.01 -0.26 -1.06 121.20 131.56 1iea s ILE 109 Ca 0.31 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1iea s ILE 109 Cb -0.13 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 1iea s ILE 109 CO 0.18 0.40 -0.05 -0.62 0.00 0.00 0.00 174.94 174.85 1iea s ASP 110 N 1.08 1.30 -1.31 3.58 2.15 -0.11 0.17 116.67 123.52 1iea s ASP 110 Ca 0.03 -1.06 -0.00 0.00 0.43 0.00 0.00 52.55 51.95 1iea s ASP 110 Cb -0.14 0.08 -0.00 0.00 -0.30 0.00 0.00 42.92 42.56 1iea s ASP 110 CO 0.02 -0.47 0.66 0.29 -0.17 0.00 0.00 175.17 175.51 1iea n LYS 111 N -0.13 -4.64 -4.19 4.34 5.02 -0.73 -0.24 118.16 117.59 1iea n LYS 111 Ca -0.10 0.59 -0.12 0.00 -2.02 0.00 0.00 58.31 56.66 1iea n LYS 111 Cb 0.61 -5.09 -0.10 0.00 -0.02 0.00 0.00 35.03 30.44 1iea n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1iea s PHE 112 N -3.70 1.01 -0.15 2.13 -0.71 -1.03 -4.33 117.98 111.20 1iea s PHE 112 Ca 0.01 -0.87 -0.29 0.00 -1.04 0.00 0.00 56.93 54.74 1iea s PHE 112 Cb -0.00 -0.56 0.09 0.00 -1.21 0.00 0.00 43.02 41.34 1iea s PHE 112 CO 0.82 -0.08 0.79 0.45 -1.34 0.00 0.00 175.22 175.86 1iea s SER 113 N -3.08 -0.60 1.00 1.98 0.15 -0.86 -1.42 113.70 110.87 1iea s SER 113 Ca 0.14 0.83 -0.12 0.00 0.70 0.00 0.00 55.95 57.49 1iea s SER 113 Cb 0.04 0.73 0.19 0.00 -1.71 0.00 0.00 66.02 65.27 1iea s SER 113 CO -0.03 -0.43 1.10 -2.16 1.20 0.00 0.00 173.24 172.92 1iea s PRO 114 N -0.68 0.42 -1.17 5.44 0.04 -1.26 0.75 135.00 138.55 1iea s PRO 114 Ca -0.05 0.48 -0.20 0.00 0.04 0.00 0.00 61.00 61.27 1iea s PRO 114 Cb -0.02 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 1iea s PRO 114 CO 0.05 -2.73 1.93 -0.35 0.04 0.00 0.00 177.00 175.94 1iea n PRO 115 N -4.17 2.25 -3.64 0.56 -0.04 -1.26 -4.82 135.00 123.88 1iea n PRO 115 Ca 0.05 -2.57 -0.06 0.00 -0.04 0.00 0.00 63.50 60.88 1iea n PRO 115 Cb 0.57 -3.39 -0.07 0.00 -0.04 0.00 0.00 33.50 30.57 1iea n PRO 115 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1iea s VAL 116 N 6.29 0.00 0.11 0.52 -7.23 -1.26 -5.04 120.40 113.79 1iea s VAL 116 Ca 0.58 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.61 1iea s VAL 116 Cb 0.07 -1.00 0.03 0.00 0.56 0.00 0.00 36.38 36.03 1iea s VAL 116 CO 0.07 0.00 0.35 0.68 -0.31 0.00 0.00 175.10 175.89 1iea s VAL 117 N 1.44 0.09 -0.16 1.32 -7.23 -1.26 -4.71 120.40 109.88 1iea s VAL 117 Ca -0.09 -0.73 0.01 0.00 -1.81 0.00 0.00 61.98 59.36 1iea s VAL 117 Cb -0.05 -1.20 0.01 0.00 0.56 0.00 0.00 36.38 35.70 1iea s VAL 117 CO -0.17 -0.40 -0.18 0.20 -0.31 0.00 0.00 175.10 174.24 1iea s ASN 118 N -2.79 3.36 0.00 4.85 0.01 -0.31 -4.96 114.94 115.09 1iea s ASN 118 Ca 0.03 -0.56 0.07 0.00 -0.71 0.00 0.00 52.86 51.69 1iea s ASN 118 Cb 0.03 -1.51 -0.02 0.00 0.41 0.00 0.00 41.25 40.15 1iea s ASN 118 CO -0.12 0.05 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.61 1iea s VAL 119 N 0.99 1.81 -0.09 1.60 1.01 -1.26 0.07 120.40 124.54 1iea s VAL 119 Ca -0.02 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 1iea s VAL 119 Cb -0.15 -1.52 0.05 0.00 0.00 0.00 0.00 36.38 34.76 1iea s VAL 119 CO -0.05 0.44 0.18 -0.89 0.00 0.00 0.00 175.10 174.78 1iea s THR 120 N -0.61 -0.26 0.19 3.92 2.01 0.74 -5.00 115.64 116.64 1iea s THR 120 Ca 0.09 0.32 -0.28 0.00 0.31 0.00 0.00 61.69 62.13 1iea s THR 120 Cb -0.09 -0.32 -0.08 0.00 0.01 0.00 0.00 72.50 72.02 1iea s THR 120 CO -0.00 0.13 0.86 0.26 -0.69 0.00 0.00 174.62 175.18 1iea s TRP 121 N 2.15 3.93 -0.09 4.92 0.52 -1.26 -0.68 118.94 128.44 1iea s TRP 121 Ca 0.01 1.76 0.01 0.00 0.02 0.00 0.00 56.10 57.91 1iea s TRP 121 Cb -0.12 -2.88 0.02 0.00 -1.15 0.00 0.00 33.47 29.34 1iea s TRP 121 CO -0.06 0.47 -0.12 -0.51 0.02 0.00 0.00 176.95 176.75 1iea s LEU 122 N -1.06 1.55 -0.27 2.99 1.43 0.38 -1.07 118.68 122.62 1iea s LEU 122 Ca 0.39 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1iea s LEU 122 Cb -0.24 -0.89 0.05 0.00 0.03 0.00 0.00 46.19 45.14 1iea s LEU 122 CO 0.29 -0.01 -0.06 -0.60 0.23 0.00 0.00 176.35 176.20 1iea s ARG 123 N 1.01 2.39 -1.23 1.70 3.52 0.13 -0.22 118.95 126.23 1iea s ARG 123 Ca -0.08 -1.27 -0.06 0.00 -0.13 0.00 0.00 55.73 54.19 1iea s ARG 123 Cb -0.15 -3.01 0.01 0.00 -1.56 0.00 0.00 34.95 30.24 1iea s ARG 123 CO -0.01 -0.57 1.07 0.09 -0.81 0.00 0.00 175.30 175.07 1iea n ASN 124 N 4.54 -5.18 0.00 -2.12 3.02 0.60 -2.75 115.26 113.37 1iea n ASN 124 Ca -0.14 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 1iea n ASN 124 Cb 0.43 -4.75 0.00 0.00 -0.61 0.00 0.00 39.78 34.85 1iea n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iea n GLY 125 N -1.73 0.80 3.22 7.41 0.00 -1.26 -5.03 105.19 108.59 1iea n GLY 125 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 1iea n GLY 125 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iea s ARG 126 N -0.10 1.48 0.35 1.61 0.52 -1.11 -5.03 118.95 116.68 1iea s ARG 126 Ca 0.00 -0.80 -0.27 0.00 -0.52 0.00 0.00 55.73 54.14 1iea s ARG 126 Cb 0.00 -1.50 -0.12 0.00 0.52 0.00 0.00 34.95 33.85 1iea s ARG 126 CO 0.00 0.40 1.18 -2.30 0.02 0.00 0.00 175.30 174.60 1iea n PRO 127 N 2.27 1.81 -4.17 3.54 -0.02 -1.26 -0.70 135.00 136.48 1iea n PRO 127 Ca -0.16 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.62 1iea n PRO 127 Cb 0.53 -2.18 -0.15 0.00 -0.02 0.00 0.00 33.50 31.68 1iea n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1iea s VAL 128 N -1.13 2.82 -0.82 -1.45 1.01 -0.23 -4.81 120.40 115.78 1iea s VAL 128 Ca 0.58 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.97 1iea s VAL 128 Cb -0.59 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1iea s VAL 128 CO 0.60 0.48 0.59 0.35 0.00 0.00 0.00 175.10 177.12 1iea n THR 129 N 4.49 0.00 -4.54 3.92 -2.24 -1.26 -4.60 114.28 110.05 1iea n THR 129 Ca -0.19 -0.36 -0.34 0.00 -2.27 0.00 0.00 64.05 60.89 1iea n THR 129 Cb 0.51 1.09 -0.11 0.00 -2.10 0.00 0.00 70.33 69.72 1iea n THR 129 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1iea s GLU 130 N -1.52 2.90 -0.86 -0.78 0.41 -1.26 -4.58 118.70 113.00 1iea s GLU 130 Ca 0.07 -0.51 -0.03 0.00 -0.41 0.00 0.00 54.97 54.10 1iea s GLU 130 Cb 0.08 -2.68 0.00 0.00 -1.78 0.00 0.00 34.13 29.76 1iea s GLU 130 CO 0.30 0.64 0.40 0.41 -0.49 0.00 0.00 175.26 176.51 1iea n GLY 131 N 2.31 0.02 3.22 -1.39 0.00 -1.26 -4.84 105.19 103.26 1iea n GLY 131 Ca -0.18 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 1iea n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1iea s VAL 132 N -2.94 1.37 0.26 1.61 -7.23 -1.26 -0.68 120.40 111.53 1iea s VAL 132 Ca 0.20 -1.41 -0.10 0.00 -1.81 0.00 0.00 61.98 58.85 1iea s VAL 132 Cb -0.09 -1.28 -0.01 0.00 0.56 0.00 0.00 36.38 35.56 1iea s VAL 132 CO 0.24 -0.16 0.45 -0.94 -0.31 0.00 0.00 175.10 174.38 1iea s SER 133 N -1.83 0.11 0.04 4.85 1.04 -0.73 -4.98 113.70 112.20 1iea s SER 133 Ca 0.02 -1.08 -0.27 0.00 0.48 0.00 0.00 55.95 55.09 1iea s SER 133 Cb -0.10 0.58 0.07 0.00 0.10 0.00 0.00 66.02 66.68 1iea s SER 133 CO 0.03 -1.15 0.67 -1.83 0.98 0.00 0.00 173.24 171.95 1iea s GLU 134 N -3.82 1.12 0.52 4.02 -1.05 -1.26 -0.23 118.70 117.99 1iea s GLU 134 Ca 0.26 -0.09 0.03 0.00 -0.15 0.00 0.00 54.97 55.01 1iea s GLU 134 Cb 0.00 0.52 0.03 0.00 -0.44 0.00 0.00 34.13 34.24 1iea s GLU 134 CO 0.11 -0.42 0.73 0.95 0.95 0.00 0.00 175.26 177.58 1iea s THR 135 N -2.41 2.79 0.12 1.83 -4.23 -0.56 -5.02 115.64 108.16 1iea s THR 135 Ca -0.04 -0.72 -0.02 0.00 -1.18 0.00 0.00 61.69 59.72 1iea s THR 135 Cb -0.01 -3.02 0.03 0.00 1.34 0.00 0.00 72.50 70.84 1iea s THR 135 CO -0.01 -0.01 0.15 1.33 -0.54 0.00 0.00 174.62 175.53 1iea n VAL 136 N -2.23 0.00 -2.69 2.29 0.24 -1.26 -4.73 118.33 109.95 1iea n VAL 136 Ca 0.08 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.34 61.85 1iea n VAL 136 Cb 0.59 -1.79 -0.02 0.00 -1.47 0.00 0.00 33.84 31.15 1iea n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1iea s PHE 137 N -1.32 3.34 0.01 6.34 0.08 -1.26 -4.67 117.98 120.51 1iea s PHE 137 Ca 0.09 1.43 -0.05 0.00 0.12 0.00 0.00 56.93 58.51 1iea s PHE 137 Cb -0.00 -3.24 -0.05 0.00 -0.57 0.00 0.00 43.02 39.17 1iea s PHE 137 CO 0.06 -0.46 0.24 -0.51 -0.10 0.00 0.00 175.22 174.46 1iea s LEU 138 N 3.10 4.37 0.86 -0.37 1.43 0.34 -4.96 118.68 123.45 1iea s LEU 138 Ca 0.43 0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 53.90 1iea s LEU 138 Cb -0.15 -2.68 0.11 0.00 0.03 0.00 0.00 46.19 43.50 1iea s LEU 138 CO 0.07 0.25 1.12 -2.16 0.23 0.00 0.00 176.35 175.85 1iea s PRO 139 N -1.85 1.55 0.35 1.29 0.04 -1.26 -1.70 135.00 133.42 1iea s PRO 139 Ca 0.28 0.44 0.04 0.00 0.04 0.00 0.00 61.00 61.80 1iea s PRO 139 Cb -0.13 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1iea s PRO 139 CO 0.17 -1.95 0.13 1.03 0.04 0.00 0.00 177.00 176.42 1iea s ARG 140 N -5.22 1.74 0.35 4.56 0.52 -1.21 -4.66 118.95 115.02 1iea s ARG 140 Ca 0.62 -2.02 0.05 0.00 -0.52 0.00 0.00 55.73 53.87 1iea s ARG 140 Cb -0.15 -0.45 0.64 0.00 0.52 0.00 0.00 34.95 35.52 1iea s ARG 140 CO 0.54 -0.41 1.88 -0.44 0.02 0.00 0.00 175.30 176.88 1iea h ASP 141 N 2.02 0.43 0.00 0.23 5.19 -1.99 -3.44 116.42 118.86 1iea h ASP 141 Ca -0.36 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1iea h ASP 141 Cb 1.26 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.66 1iea h ASP 141 CO 0.57 0.53 0.00 -0.90 -3.12 0.00 0.00 179.24 176.32 1iea n ASP 142 N -4.27 0.00 -0.70 6.45 5.68 -1.26 -5.01 116.55 117.43 1iea n ASP 142 Ca 0.01 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.40 1iea n ASP 142 Cb 0.26 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.29 1iea n ASP 142 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1iea n HIS 143 N 0.00 0.00 -3.18 2.11 1.44 -1.26 -5.00 115.22 109.34 1iea n HIS 143 Ca 0.00 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.51 1iea n HIS 143 Cb 0.00 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.14 1iea n HIS 143 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1iea s LEU 144 N -2.01 3.28 0.33 2.39 1.43 -1.26 -4.97 118.68 117.87 1iea s LEU 144 Ca 0.22 -0.73 0.09 0.00 -1.03 0.00 0.00 54.13 52.68 1iea s LEU 144 Cb 0.17 -1.98 -0.06 0.00 0.03 0.00 0.00 46.19 44.35 1iea s LEU 144 CO 0.37 -1.04 -0.09 -0.36 0.23 0.00 0.00 176.35 175.45 1iea s PHE 145 N -2.55 2.31 0.08 0.29 0.40 -0.51 -3.33 117.98 114.67 1iea s PHE 145 Ca 0.55 -0.53 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 1iea s PHE 145 Cb -0.06 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 1iea s PHE 145 CO 0.34 0.53 -0.06 -0.98 0.70 0.00 0.00 175.22 175.74 1iea s ARG 146 N -3.63 0.75 0.06 0.44 1.70 -0.69 -1.77 118.95 115.81 1iea s ARG 146 Ca 0.32 -1.23 -0.17 0.00 -0.47 0.00 0.00 55.73 54.18 1iea s ARG 146 Cb 0.02 -0.15 0.03 0.00 -0.57 0.00 0.00 34.95 34.29 1iea s ARG 146 CO 0.15 -0.02 0.39 0.21 -1.08 0.00 0.00 175.30 174.95 1iea s LYS 147 N -3.51 0.92 -0.04 3.89 2.20 0.13 -0.51 119.74 122.82 1iea s LYS 147 Ca 0.08 -0.45 0.04 0.00 -0.36 0.00 0.00 55.97 55.28 1iea s LYS 147 Cb 0.03 0.41 -0.00 0.00 -1.51 0.00 0.00 37.83 36.76 1iea s LYS 147 CO -0.05 -0.32 -0.17 -0.06 -0.36 0.00 0.00 175.35 174.39 1iea s PHE 148 N -2.72 1.72 0.01 4.03 0.40 -1.26 -1.10 117.98 119.06 1iea s PHE 148 Ca -0.04 -0.49 0.08 0.00 -0.60 0.00 0.00 56.93 55.89 1iea s PHE 148 Cb -0.00 -1.16 -0.02 0.00 0.51 0.00 0.00 43.02 42.35 1iea s PHE 148 CO -0.04 -0.16 -0.25 -1.01 0.70 0.00 0.00 175.22 174.46 1iea s HIS 149 N 0.01 2.19 0.04 0.36 3.76 -0.48 -1.50 115.29 119.68 1iea s HIS 149 Ca -0.03 -0.41 0.08 0.00 -0.15 0.00 0.00 55.06 54.55 1iea s HIS 149 Cb -0.11 -1.37 -0.03 0.00 1.11 0.00 0.00 32.58 32.18 1iea s HIS 149 CO 0.02 0.03 -0.23 0.71 -0.85 0.00 0.00 174.74 174.41 1iea s TYR 150 N -0.67 2.06 -0.08 1.40 2.02 0.68 -0.23 117.35 122.53 1iea s TYR 150 Ca 0.10 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1iea s TYR 150 Cb -0.10 -1.23 0.03 0.00 -0.40 0.00 0.00 41.96 40.26 1iea s TYR 150 CO 0.00 0.11 -0.01 -1.17 -1.57 0.00 0.00 175.55 172.91 1iea s LEU 151 N -1.20 0.67 -0.17 -1.29 2.96 0.57 -1.78 118.68 118.45 1iea s LEU 151 Ca 0.10 -0.12 -0.29 0.00 -0.22 0.00 0.00 54.13 53.60 1iea s LEU 151 Cb -0.09 -0.50 -0.00 0.00 0.50 0.00 0.00 46.19 46.09 1iea s LEU 151 CO 0.02 -0.18 1.08 -0.89 -1.32 0.00 0.00 176.35 175.05 1iea s THR 152 N 1.93 4.61 0.09 3.68 2.01 0.14 0.53 115.64 128.64 1iea s THR 152 Ca 0.05 1.92 0.01 0.00 0.31 0.00 0.00 61.69 63.98 1iea s THR 152 Cb -0.12 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 1iea s THR 152 CO -0.06 -0.11 -0.04 0.72 -0.69 0.00 0.00 174.62 174.45 1iea s PHE 153 N 2.82 0.81 -0.31 4.92 -0.71 -0.47 -4.94 117.98 120.10 1iea s PHE 153 Ca 0.48 -1.00 -0.01 0.00 -1.04 0.00 0.00 56.93 55.36 1iea s PHE 153 Cb -0.18 -0.49 0.06 0.00 -1.21 0.00 0.00 43.02 41.20 1iea s PHE 153 CO 0.12 -0.26 0.02 -1.17 -1.34 0.00 0.00 175.22 172.59 1iea s LEU 154 N -3.02 4.09 -0.12 -1.99 2.96 -1.26 -0.31 118.68 119.03 1iea s LEU 154 Ca 0.13 -1.47 -0.37 0.00 -0.22 0.00 0.00 54.13 52.20 1iea s LEU 154 Cb 0.06 -1.70 -0.14 0.00 0.50 0.00 0.00 46.19 44.91 1iea s LEU 154 CO -0.05 -0.30 1.70 -2.65 -1.32 0.00 0.00 176.35 173.74 1iea n PRO 155 N 4.56 1.56 -3.69 0.98 -0.02 -1.26 -4.85 135.00 132.27 1iea n PRO 155 Ca -0.10 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 61.83 1iea n PRO 155 Cb 0.43 -2.30 -0.09 0.00 -0.02 0.00 0.00 33.50 31.51 1iea n PRO 155 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1iea s SER 156 N 2.95 -0.59 0.00 2.55 0.15 -1.26 -1.44 113.70 116.06 1iea s SER 156 Ca 0.93 1.07 0.02 0.00 0.70 0.00 0.00 55.95 58.67 1iea s SER 156 Cb -0.90 1.04 0.15 0.00 -1.71 0.00 0.00 66.02 64.59 1iea s SER 156 CO 0.56 -0.19 0.63 0.35 1.20 0.00 0.00 173.24 175.79 1iea n THR 157 N 3.33 0.00 0.95 6.45 -2.24 -1.26 -2.68 114.28 118.83 1iea n THR 157 Ca -0.17 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.72 1iea n THR 157 Cb 0.56 -0.33 0.04 0.00 -2.10 0.00 0.00 70.33 68.51 1iea n THR 157 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1iea n ASP 158 N -0.58 2.39 -4.50 3.42 9.92 -1.26 -4.98 116.55 120.96 1iea n ASP 158 Ca 0.02 -1.69 -0.27 0.00 -0.53 0.00 0.00 54.79 52.31 1iea n ASP 158 Cb 0.01 0.26 -0.11 0.00 -0.64 0.00 0.00 41.12 40.65 1iea n ASP 158 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1iea s ASP 159 N -2.17 3.87 -0.03 -2.24 1.01 -1.09 -5.02 116.67 111.00 1iea s ASP 159 Ca 0.22 -0.69 0.02 0.00 0.71 0.00 0.00 52.55 52.80 1iea s ASP 159 Cb 0.18 -0.51 0.01 0.00 1.01 0.00 0.00 42.92 43.61 1iea s ASP 159 CO 0.43 0.12 -0.08 0.72 0.21 0.00 0.00 175.17 176.57 1iea s PHE 160 N -1.61 0.86 0.15 4.23 -0.12 -1.26 -4.33 117.98 115.90 1iea s PHE 160 Ca 0.22 -0.22 0.08 0.00 -0.05 0.00 0.00 56.93 56.96 1iea s PHE 160 Cb -0.09 -0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 41.62 1iea s PHE 160 CO 0.12 -0.11 -0.06 0.71 -0.05 0.00 0.00 175.22 175.84 1iea s TYR 161 N 0.30 2.76 0.01 3.49 1.51 0.35 -0.29 117.35 125.47 1iea s TYR 161 Ca -0.04 -0.16 -0.01 0.00 -1.01 0.00 0.00 57.07 55.85 1iea s TYR 161 Cb -0.09 -1.37 -0.01 0.00 -0.11 0.00 0.00 41.96 40.38 1iea s TYR 161 CO 0.00 0.49 0.00 -0.51 -1.11 0.00 0.00 175.55 174.42 1iea s ASP 162 N -2.66 0.10 -0.28 2.29 1.01 0.69 0.45 116.67 118.27 1iea s ASP 162 Ca 0.25 -0.21 0.03 0.00 0.71 0.00 0.00 52.55 53.33 1iea s ASP 162 Cb -0.10 0.07 0.07 0.00 1.01 0.00 0.00 42.92 43.97 1iea s ASP 162 CO 0.16 -0.15 -0.08 0.00 0.21 0.00 0.00 175.17 175.32 1iea s GLU 164 N 1.08 3.67 -0.06 0.00 2.12 0.15 -0.32 118.70 125.33 1iea s GLU 164 Ca -0.06 -0.49 0.04 0.00 0.36 0.00 0.00 54.97 54.83 1iea s GLU 164 Cb -0.20 -3.75 -0.02 0.00 0.26 0.00 0.00 34.13 30.42 1iea s GLU 164 CO -0.05 -0.36 -0.18 0.08 -0.54 0.00 0.00 175.26 174.20 1iea s VAL 165 N 1.78 2.68 -0.04 3.70 1.01 0.45 -0.18 120.40 129.79 1iea s VAL 165 Ca 0.07 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1iea s VAL 165 Cb -0.17 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1iea s VAL 165 CO 0.11 0.57 -0.21 -0.62 0.00 0.00 0.00 175.10 174.95 1iea s ASP 166 N -0.35 2.55 -0.08 3.32 2.15 0.11 -0.26 116.67 124.12 1iea s ASP 166 Ca 0.03 -0.41 -0.12 0.00 0.43 0.00 0.00 52.55 52.48 1iea s ASP 166 Cb -0.12 -0.54 0.03 0.00 -0.30 0.00 0.00 42.92 41.98 1iea s ASP 166 CO 0.02 0.22 0.31 -2.28 -0.17 0.00 0.00 175.17 173.27 1iea s HIS 167 N -0.23 -0.28 0.62 -5.34 5.65 -1.26 -1.17 115.29 113.28 1iea s HIS 167 Ca 0.01 0.64 0.30 0.00 0.25 0.00 0.00 55.06 56.26 1iea s HIS 167 Cb -0.11 0.11 1.60 0.00 -1.18 0.00 0.00 32.58 33.00 1iea s HIS 167 CO 0.01 -0.24 1.96 -1.49 -0.65 0.00 0.00 174.74 174.34 1iea h TRP 168 N 5.06 0.00 -0.03 3.88 4.06 -1.96 0.35 115.95 127.31 1iea h TRP 168 Ca -0.27 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.68 1iea h TRP 168 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 1iea h TRP 168 CO 0.45 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.74 1iea n GLY 169 N -1.36 -0.24 3.88 1.49 0.00 -1.26 -4.86 105.19 102.84 1iea n GLY 169 Ca 0.03 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 1iea n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iea s LEU 170 N -1.91 4.39 0.12 0.99 1.43 0.12 -4.42 118.68 119.41 1iea s LEU 170 Ca 0.39 0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 53.84 1iea s LEU 170 Cb 0.20 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1iea s LEU 170 CO 0.32 0.39 1.51 -0.33 0.23 0.00 0.00 176.35 178.48 1iea h GLU 171 N 4.87 0.74 -3.62 1.70 5.08 -1.89 -3.46 114.58 118.00 1iea h GLU 171 Ca -0.54 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 57.42 1iea h GLU 171 Cb 1.23 -0.03 -0.16 0.00 0.50 0.00 0.00 28.75 30.28 1iea h GLU 171 CO 0.59 0.90 -0.38 -1.83 -1.00 0.00 0.00 179.01 177.29 1iea s GLU 172 N -4.73 0.73 0.51 2.33 -1.05 -1.26 -5.14 118.70 110.09 1iea s GLU 172 Ca -0.13 -0.71 -0.20 0.00 -0.15 0.00 0.00 54.97 53.78 1iea s GLU 172 Cb 0.10 0.30 -0.09 0.00 -0.44 0.00 0.00 34.13 34.00 1iea s GLU 172 CO 0.81 -0.22 0.70 -2.30 0.95 0.00 0.00 175.26 175.21 1iea n PRO 173 N 0.49 0.76 -3.59 -4.83 -0.02 -1.26 -4.95 135.00 121.60 1iea n PRO 173 Ca -0.18 0.29 -0.37 0.00 -2.02 0.00 0.00 63.50 61.22 1iea n PRO 173 Cb 0.60 -1.80 -0.08 0.00 -0.02 0.00 0.00 33.50 32.20 1iea n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1iea s LEU 174 N 0.30 4.16 -0.28 2.45 2.96 0.64 -4.94 118.68 123.97 1iea s LEU 174 Ca 0.67 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.86 1iea s LEU 174 Cb -0.50 -2.23 0.05 0.00 0.50 0.00 0.00 46.19 44.01 1iea s LEU 174 CO 0.55 0.06 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.98 1iea s ARG 175 N 0.93 2.34 -0.14 1.98 3.52 -1.26 -0.41 118.95 125.90 1iea s ARG 175 Ca 0.11 -1.31 -0.15 0.00 -0.13 0.00 0.00 55.73 54.26 1iea s ARG 175 Cb -0.13 -3.05 -0.05 0.00 -1.56 0.00 0.00 34.95 30.17 1iea s ARG 175 CO 0.04 -0.60 0.33 0.15 -0.81 0.00 0.00 175.30 174.42 1iea s LYS 176 N 1.18 4.23 0.23 5.12 -0.14 0.56 -4.91 119.74 126.02 1iea s LYS 176 Ca -0.07 0.18 0.04 0.00 -1.36 0.00 0.00 55.97 54.76 1iea s LYS 176 Cb -0.20 -3.41 -0.03 0.00 -1.68 0.00 0.00 37.83 32.51 1iea s LYS 176 CO -0.03 0.26 0.36 -0.08 -0.76 0.00 0.00 175.35 175.10 1iea s THR 177 N 0.38 5.26 -0.21 2.17 -1.32 -1.26 -0.15 115.64 120.50 1iea s THR 177 Ca 0.19 -0.88 -0.16 0.00 -1.21 0.00 0.00 61.69 59.63 1iea s THR 177 Cb -0.14 -3.84 0.06 0.00 -1.51 0.00 0.00 72.50 67.08 1iea s THR 177 CO 0.06 -0.30 0.53 0.86 -2.21 0.00 0.00 174.62 173.56 1iea s TRP 178 N -1.96 -0.67 -0.04 9.09 -0.00 0.17 -4.88 118.94 120.65 1iea s TRP 178 Ca 0.35 1.52 -0.21 0.00 -0.00 0.00 0.00 56.10 57.75 1iea s TRP 178 Cb -0.09 0.29 0.04 0.00 -0.00 0.00 0.00 33.47 33.71 1iea s TRP 178 CO 0.29 -0.34 0.47 -1.83 -0.00 0.00 0.00 176.95 175.54 1iea s GLU 179 N 0.76 0.81 0.29 5.86 -1.05 -1.26 0.13 118.70 124.25 1iea s GLU 179 Ca -0.04 0.05 -0.29 0.00 -0.15 0.00 0.00 54.97 54.54 1iea s GLU 179 Cb -0.05 0.37 -0.10 0.00 -0.44 0.00 0.00 34.13 33.92 1iea s GLU 179 CO -0.06 -0.23 1.14 0.12 0.95 0.00 0.00 175.26 177.18 1iea s PHE 180 N -1.15 3.46 -0.06 4.83 5.36 -1.26 -5.04 117.98 124.13 1iea s PHE 180 Ca -0.12 1.64 -0.01 0.00 -0.96 0.00 0.00 56.93 57.49 1iea s PHE 180 Cb -0.03 -3.36 0.03 0.00 -0.34 0.00 0.00 43.02 39.32 1iea s PHE 180 CO 0.06 -0.81 0.00 -1.83 -1.46 0.00 0.00 175.22 171.18 1iea s GLU 181 N -1.55 0.52 0.00 10.12 4.04 -1.26 -4.96 118.70 125.61 1iea s GLU 181 Ca 0.46 0.10 0.13 0.00 0.04 0.00 0.00 54.97 55.69 1iea s GLU 181 Cb -0.33 -0.83 0.75 0.00 0.02 0.00 0.00 34.13 33.75 1iea s GLU 181 CO 0.43 -0.24 1.18 0.39 -1.84 0.00 0.00 175.26 175.18