#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 0.52 -0.66 0.38 2.47 -1.26 -5.11 119.74 116.09 1iea s LYS 2 Ca 0.00 0.11 -0.22 0.00 -1.56 0.00 0.00 55.97 54.30 1iea s LYS 2 Cb 0.00 -0.15 0.08 0.00 -1.46 0.00 0.00 37.83 36.30 1iea s LYS 2 CO 0.00 -1.07 0.92 -1.21 0.16 0.00 0.00 175.35 174.15 1iea s GLU 3 N 2.45 3.12 -0.29 4.03 0.41 -1.26 -5.00 118.70 122.15 1iea s GLU 3 Ca 0.11 -0.98 -0.16 0.00 -0.41 0.00 0.00 54.97 53.53 1iea s GLU 3 Cb -0.11 -4.27 -0.03 0.00 -1.78 0.00 0.00 34.13 27.94 1iea s GLU 3 CO -0.24 -1.76 0.43 -2.00 -0.49 0.00 0.00 175.26 171.19 1iea s GLU 4 N 3.72 3.91 0.22 1.61 2.12 -1.26 -5.04 118.70 123.98 1iea s GLU 4 Ca 0.20 0.02 -0.11 0.00 0.36 0.00 0.00 54.97 55.44 1iea s GLU 4 Cb -0.18 -3.70 -0.01 0.00 0.26 0.00 0.00 34.13 30.51 1iea s GLU 4 CO 0.08 -0.38 0.41 -1.01 -0.54 0.00 0.00 175.26 173.82 1iea s HIS 5 N 2.17 0.41 -0.09 5.30 3.76 -1.26 -5.10 115.29 120.48 1iea s HIS 5 Ca 0.17 -0.76 -0.04 0.00 -0.15 0.00 0.00 55.06 54.28 1iea s HIS 5 Cb -0.16 0.09 0.04 0.00 1.11 0.00 0.00 32.58 33.66 1iea s HIS 5 CO 0.11 -0.90 0.21 0.99 -0.85 0.00 0.00 174.74 174.29 1iea s THR 6 N -4.01 -0.07 -0.07 1.30 2.01 -1.26 -5.02 115.64 108.52 1iea s THR 6 Ca 0.22 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.42 1iea s THR 6 Cb 0.01 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 1iea s THR 6 CO 0.07 0.07 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.32 1iea s ILE 7 N 1.34 3.28 -0.02 1.82 1.01 -1.26 -1.29 121.20 126.08 1iea s ILE 7 Ca -0.08 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 59.93 1iea s ILE 7 Cb -0.11 -2.32 0.03 0.00 0.01 0.00 0.00 42.46 40.07 1iea s ILE 7 CO -0.08 0.58 0.04 -0.63 0.00 0.00 0.00 174.94 174.85 1iea s ILE 8 N -0.58 -0.07 -0.27 2.92 1.01 0.26 -4.95 121.20 119.52 1iea s ILE 8 Ca 0.08 0.25 -0.11 0.00 0.00 0.00 0.00 60.65 60.87 1iea s ILE 8 Cb -0.12 -0.09 -0.05 0.00 0.01 0.00 0.00 42.46 42.21 1iea s ILE 8 CO 0.01 0.10 0.20 -1.58 0.00 0.00 0.00 174.94 173.67 1iea s GLN 9 N 1.23 3.97 -0.02 2.79 0.74 -1.26 -0.00 119.66 127.10 1iea s GLN 9 Ca -0.07 -0.29 0.08 0.00 0.05 0.00 0.00 55.36 55.13 1iea s GLN 9 Cb -0.13 -3.64 -0.02 0.00 1.10 0.00 0.00 33.01 30.32 1iea s GLN 9 CO -0.03 -0.15 -0.26 0.00 -0.55 0.00 0.00 175.29 174.30 1iea s ALA 10 N 1.67 2.14 -0.03 1.58 0.00 -0.58 -5.01 121.76 121.53 1iea s ALA 10 Ca 0.08 -1.11 -0.24 0.00 0.00 0.00 0.00 51.96 50.69 1iea s ALA 10 Cb -0.16 -0.56 0.05 0.00 0.00 0.00 0.00 23.12 22.46 1iea s ALA 10 CO 0.10 0.52 0.53 -1.83 0.00 0.00 0.00 175.76 175.08 1iea s GLU 11 N -0.57 0.91 0.28 0.00 -1.05 -1.26 -1.88 118.70 115.14 1iea s GLU 11 Ca 0.09 0.07 -0.14 0.00 -0.15 0.00 0.00 54.97 54.84 1iea s GLU 11 Cb -0.10 0.42 0.01 0.00 -0.44 0.00 0.00 34.13 34.02 1iea s GLU 11 CO -0.01 -0.28 0.56 -0.59 0.95 0.00 0.00 175.26 175.90 1iea s PHE 12 N -1.30 0.29 -0.07 4.83 -0.12 -0.18 -4.94 117.98 116.51 1iea s PHE 12 Ca -0.12 -0.69 -0.04 0.00 -0.05 0.00 0.00 56.93 56.03 1iea s PHE 12 Cb -0.02 0.34 0.03 0.00 -0.63 0.00 0.00 43.02 42.74 1iea s PHE 12 CO 0.07 -1.12 0.16 -0.47 -0.05 0.00 0.00 175.22 173.81 1iea s TYR 13 N -3.74 -0.18 -0.02 3.49 5.04 -1.26 -1.03 117.35 119.65 1iea s TYR 13 Ca 0.20 0.48 0.05 0.00 -2.44 0.00 0.00 57.07 55.36 1iea s TYR 13 Cb -0.02 -0.02 -0.01 0.00 0.35 0.00 0.00 41.96 42.26 1iea s TYR 13 CO 0.10 -0.14 -0.19 -1.17 -1.34 0.00 0.00 175.55 172.81 1iea s LEU 14 N 0.78 2.00 0.13 6.97 2.96 0.14 -4.97 118.68 126.69 1iea s LEU 14 Ca -0.06 -0.36 0.10 0.00 -0.22 0.00 0.00 54.13 53.60 1iea s LEU 14 Cb -0.08 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.57 1iea s LEU 14 CO -0.04 0.21 -0.25 -0.76 -1.32 0.00 0.00 176.35 174.20 1iea s LEU 15 N -0.30 2.33 0.10 -0.68 1.43 -1.26 -0.97 118.68 119.33 1iea s LEU 15 Ca 0.04 -0.75 0.27 0.00 -1.03 0.00 0.00 54.13 52.66 1iea s LEU 15 Cb -0.09 -1.10 1.02 0.00 0.03 0.00 0.00 46.19 46.05 1iea s LEU 15 CO 0.00 0.13 1.83 -0.81 0.23 0.00 0.00 176.35 177.73 1iea n PRO 16 N 0.87 0.12 0.08 1.29 -0.04 -1.26 -4.86 135.00 131.19 1iea n PRO 16 Ca -0.18 0.12 0.21 0.00 -0.04 0.00 0.00 63.50 63.61 1iea n PRO 16 Cb 0.54 -1.64 0.74 0.00 -0.04 0.00 0.00 33.50 33.10 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 0.00 -5.47 3.54 5.19 -2.04 -3.45 116.42 114.19 1iea h ASP 17 Ca 0.00 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.12 1iea h ASP 17 Cb 0.57 0.00 0.17 0.00 0.18 0.00 0.00 39.33 40.26 1iea h ASP 17 CO 0.00 0.00 -0.78 0.29 -3.12 0.00 0.00 179.24 175.63 1iea n LYS 18 N -3.78 -4.84 -4.89 3.56 5.02 -0.14 -5.02 118.16 108.07 1iea n LYS 18 Ca 0.08 0.83 -0.26 0.00 -2.02 0.00 0.00 58.31 56.94 1iea n LYS 18 Cb 0.62 -5.73 -0.16 0.00 -0.02 0.00 0.00 35.03 29.75 1iea n LYS 18 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1iea s ARG 19 N -4.95 1.59 0.48 1.97 1.70 -0.89 -4.94 118.95 113.90 1iea s ARG 19 Ca 0.16 -0.65 0.03 0.00 -0.47 0.00 0.00 55.73 54.80 1iea s ARG 19 Cb -0.02 -1.49 -0.03 0.00 -0.57 0.00 0.00 34.95 32.84 1iea s ARG 19 CO 0.71 0.36 0.02 0.20 -1.08 0.00 0.00 175.30 175.51 1iea s GLY 20 N -0.32 2.86 -0.26 3.88 0.00 -1.26 0.23 107.32 112.45 1iea s GLY 20 Ca 0.04 -0.88 -0.25 0.00 0.00 0.00 0.00 44.72 43.63 1iea s GLY 20 CO 0.00 -2.13 0.75 1.85 0.00 0.00 0.00 173.10 173.57 1iea s GLU 21 N -3.83 0.82 -0.04 2.90 2.12 -0.20 -4.91 118.70 115.56 1iea s GLU 21 Ca 0.14 0.94 -0.00 0.00 0.36 0.00 0.00 54.97 56.41 1iea s GLU 21 Cb 0.03 0.40 0.03 0.00 0.26 0.00 0.00 34.13 34.85 1iea s GLU 21 CO 0.07 -0.10 0.01 0.12 -0.54 0.00 0.00 175.26 174.82 1iea s PHE 22 N 0.31 0.33 0.18 5.30 2.19 -1.26 -1.01 117.98 124.02 1iea s PHE 22 Ca -0.00 0.01 -0.17 0.00 0.33 0.00 0.00 56.93 57.10 1iea s PHE 22 Cb -0.05 -0.48 0.03 0.00 -1.31 0.00 0.00 43.02 41.21 1iea s PHE 22 CO 0.01 -0.17 0.49 0.00 1.83 0.00 0.00 175.22 177.38 1iea s MET 23 N 1.34 1.31 0.07 10.12 0.23 -0.79 -1.20 119.30 130.38 1iea s MET 23 Ca -0.05 -0.83 0.08 0.00 -1.03 0.00 0.00 55.69 53.85 1iea s MET 23 Cb -0.13 0.51 -0.03 0.00 -1.53 0.00 0.00 34.83 33.64 1iea s MET 23 CO -0.02 -0.55 -0.18 -0.06 -2.03 0.00 0.00 175.02 172.18 1iea s PHE 24 N -3.86 2.56 -0.06 3.16 0.40 -0.73 -1.53 117.98 117.91 1iea s PHE 24 Ca 0.08 -0.25 0.03 0.00 -0.60 0.00 0.00 56.93 56.19 1iea s PHE 24 Cb -0.00 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 42.11 1iea s PHE 24 CO -0.05 0.30 -0.15 0.34 0.70 0.00 0.00 175.22 176.36 1iea s ASP 25 N -1.69 2.05 -0.23 1.36 -1.08 1.00 -1.13 116.67 116.95 1iea s ASP 25 Ca 0.16 -0.34 0.01 0.00 -0.52 0.00 0.00 52.55 51.85 1iea s ASP 25 Cb -0.11 -0.78 0.06 0.00 -1.46 0.00 0.00 42.92 40.63 1iea s ASP 25 CO 0.07 0.10 -0.07 0.12 0.52 0.00 0.00 175.17 175.91 1iea s PHE 26 N 0.35 2.44 -1.23 -5.34 2.19 0.91 -0.57 117.98 116.74 1iea s PHE 26 Ca -0.10 -1.74 -0.05 0.00 0.33 0.00 0.00 56.93 55.37 1iea s PHE 26 Cb -0.14 -1.61 0.03 0.00 -1.31 0.00 0.00 43.02 39.99 1iea s PHE 26 CO 0.04 -0.77 0.29 -0.25 1.83 0.00 0.00 175.22 176.35 1iea n ASP 27 N 4.66 -4.14 0.00 6.13 8.00 -0.41 -1.61 116.55 129.18 1iea n ASP 27 Ca -0.13 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.25 1iea n ASP 27 Cb 0.45 -3.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.10 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 -1.06 0.49 3.21 0.44 0.00 -1.26 -5.04 105.19 101.96 1iea n GLY 28 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.42 2.27 0.09 1.61 1.01 -0.63 -5.06 116.67 113.53 1iea s ASP 29 Ca 0.00 -0.45 -0.31 0.00 0.71 0.00 0.00 52.55 52.50 1iea s ASP 29 Cb 0.00 -0.20 -0.08 0.00 1.01 0.00 0.00 42.92 43.65 1iea s ASP 29 CO 0.00 0.16 1.48 -0.70 0.21 0.00 0.00 175.17 176.32 1iea s GLU 30 N -0.94 4.27 -0.15 8.23 2.12 -1.26 -0.06 118.70 130.90 1iea s GLU 30 Ca 0.07 2.15 -0.19 0.00 0.36 0.00 0.00 54.97 57.35 1iea s GLU 30 Cb -0.08 -3.38 -0.24 0.00 0.26 0.00 0.00 34.13 30.69 1iea s GLU 30 CO 0.01 -0.56 0.43 0.82 -0.54 0.00 0.00 175.26 175.42 1iea h ILE 31 N 4.48 1.05 -2.40 -3.70 2.04 -1.48 -3.41 117.51 114.09 1iea h ILE 31 Ca -0.41 -2.30 0.17 0.00 1.00 0.00 0.00 64.86 63.32 1iea h ILE 31 Cb 1.20 2.59 -0.07 0.00 -0.74 0.00 0.00 36.82 39.80 1iea h ILE 31 CO 0.89 0.55 0.49 0.72 0.00 0.00 0.00 178.15 180.80 1iea s PHE 32 N -2.40 -0.09 0.18 1.37 -0.12 -1.25 -1.12 117.98 114.55 1iea s PHE 32 Ca -0.24 -0.25 -0.05 0.00 -0.05 0.00 0.00 56.93 56.34 1iea s PHE 32 Cb 0.04 0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 43.06 1iea s PHE 32 CO 0.68 -0.87 0.21 -3.38 -0.05 0.00 0.00 175.22 171.81 1iea s HIS 33 N -3.08 0.72 -0.14 3.49 -3.43 -0.31 -1.78 115.29 110.76 1iea s HIS 33 Ca 0.14 -1.05 -0.03 0.00 -0.80 0.00 0.00 55.06 53.33 1iea s HIS 33 Cb -0.02 -0.27 -0.02 0.00 -1.43 0.00 0.00 32.58 30.84 1iea s HIS 33 CO 0.03 -0.69 -0.06 0.08 -2.00 0.00 0.00 174.74 172.10 1iea s VAL 34 N -4.05 3.68 -0.36 -5.38 1.01 -0.34 -0.47 120.40 114.50 1iea s VAL 34 Ca 0.26 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 1iea s VAL 34 Cb 0.05 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.84 1iea s VAL 34 CO 0.05 0.51 1.31 -0.62 0.00 0.00 0.00 175.10 176.35 1iea s ASP 35 N 0.28 6.56 0.25 3.32 -1.08 0.10 -4.60 116.67 121.51 1iea s ASP 35 Ca -0.05 0.99 -0.02 0.00 -0.52 0.00 0.00 52.55 52.95 1iea s ASP 35 Cb -0.14 -2.54 0.32 0.00 -1.46 0.00 0.00 42.92 39.09 1iea s ASP 35 CO 0.04 -1.21 1.75 0.40 0.52 0.00 0.00 175.17 176.66 1iea h ILE 36 N 6.15 1.24 0.04 4.11 1.08 -1.92 0.18 117.51 128.39 1iea h ILE 36 Ca -0.26 -1.01 -0.23 0.00 -0.39 0.00 0.00 64.86 62.97 1iea h ILE 36 Cb 1.09 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 35.69 1iea h ILE 36 CO 1.06 0.36 -1.06 -0.33 -0.69 0.00 0.00 178.15 177.49 1iea h GLU 37 N 0.76 0.09 -0.33 2.37 4.39 -1.99 -3.31 114.58 116.55 1iea h GLU 37 Ca 0.15 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1iea h GLU 37 Cb 0.46 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1iea h GLU 37 CO 0.02 1.06 0.00 1.17 -1.16 0.00 0.00 179.01 180.10 1iea n LYS 38 N -3.42 2.47 -4.07 2.33 4.81 -1.19 -5.00 118.16 114.09 1iea n LYS 38 Ca -0.03 -2.23 -0.38 0.00 -0.87 0.00 0.00 58.31 54.80 1iea n LYS 38 Cb 0.96 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.49 1iea n LYS 38 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1iea n SER 39 N 1.46 -2.59 -3.80 3.14 2.88 0.61 -4.94 113.62 110.38 1iea n SER 39 Ca 0.18 -1.22 -0.12 0.00 -1.33 0.00 0.00 58.87 56.38 1iea n SER 39 Cb 0.60 -2.05 -0.09 0.00 -0.75 0.00 0.00 64.21 61.92 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 -7.12 0.57 -0.58 -1.46 -1.05 -1.04 -4.76 118.70 103.26 1iea s GLU 40 Ca 0.31 -0.23 -0.28 0.00 -0.15 0.00 0.00 54.97 54.63 1iea s GLU 40 Cb -0.16 0.25 0.02 0.00 -0.44 0.00 0.00 34.13 33.80 1iea s GLU 40 CO 0.95 -0.15 1.32 0.99 0.95 0.00 0.00 175.26 179.32 1iea s THR 41 N -1.24 3.87 -0.44 1.83 2.01 -1.26 0.03 115.64 120.44 1iea s THR 41 Ca -0.13 0.75 -0.19 0.00 0.31 0.00 0.00 61.69 62.43 1iea s THR 41 Cb -0.06 -4.59 0.03 0.00 0.01 0.00 0.00 72.50 67.89 1iea s THR 41 CO 0.03 -1.28 0.57 -0.63 -0.69 0.00 0.00 174.62 172.62 1iea s ILE 42 N 5.59 4.92 0.36 1.82 -1.09 0.38 -4.96 121.20 128.22 1iea s ILE 42 Ca 0.47 -0.15 -0.25 0.00 -2.23 0.00 0.00 60.65 58.49 1iea s ILE 42 Cb -0.09 -4.17 -0.09 0.00 -1.58 0.00 0.00 42.46 36.53 1iea s ILE 42 CO 0.24 -0.58 1.04 0.26 -1.23 0.00 0.00 174.94 174.67 1iea s TRP 43 N 2.57 3.41 0.18 3.97 0.52 -1.26 -1.16 118.94 127.17 1iea s TRP 43 Ca 0.18 1.68 -0.09 0.00 0.02 0.00 0.00 56.10 57.89 1iea s TRP 43 Cb -0.16 -3.11 0.08 0.00 -1.15 0.00 0.00 33.47 29.13 1iea s TRP 43 CO 0.16 -0.44 1.67 -0.09 0.02 0.00 0.00 176.95 178.27 1iea h ARG 44 N 2.87 1.06 -4.39 4.98 9.65 -1.36 -3.40 114.38 123.80 1iea h ARG 44 Ca -0.48 -0.29 -0.56 0.00 -1.10 0.00 0.00 59.98 57.55 1iea h ARG 44 Cb 1.21 -0.12 -0.37 0.00 -1.39 0.00 0.00 29.97 29.30 1iea h ARG 44 CO 0.64 0.99 -0.81 -0.51 2.80 0.00 0.00 179.97 183.08 1iea s LEU 45 N -9.46 1.48 0.44 3.80 1.43 -1.26 -5.03 118.68 110.07 1iea s LEU 45 Ca -0.12 -0.45 0.28 0.00 -1.03 0.00 0.00 54.13 52.81 1iea s LEU 45 Cb 0.14 -0.99 1.37 0.00 0.03 0.00 0.00 46.19 46.74 1iea s LEU 45 CO 0.84 -0.11 1.66 -0.08 0.23 0.00 0.00 176.35 178.90 1iea h GLU 46 N 8.12 0.14 -0.02 1.70 4.81 -1.98 0.16 114.58 127.50 1iea h GLU 46 Ca -0.32 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1iea h GLU 46 Cb 1.13 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 1iea h GLU 46 CO 0.45 0.09 0.06 1.05 -0.73 0.00 0.00 179.01 179.93 1iea h GLU 47 N 0.15 0.00 -0.63 1.92 4.11 -1.96 -1.72 114.58 116.45 1iea h GLU 47 Ca 0.77 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 60.12 1iea h GLU 47 Cb 2.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.59 1iea h GLU 47 CO -0.37 0.00 0.08 0.74 0.07 0.00 0.00 179.01 179.53 1iea h PHE 48 N 0.00 1.11 -0.90 2.06 0.04 -1.09 -3.14 116.94 115.02 1iea h PHE 48 Ca 0.01 -0.16 0.26 0.00 2.80 0.00 0.00 57.97 60.89 1iea h PHE 48 Cb 0.13 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 37.94 1iea h PHE 48 CO 0.00 0.95 0.88 0.00 -0.60 0.00 0.00 178.31 179.54 1iea h ALA 49 N 1.10 2.75 -0.20 2.45 0.00 -1.47 0.12 119.26 124.00 1iea h ALA 49 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1iea h ALA 49 Cb 0.46 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1iea h ALA 49 CO 0.02 -1.34 0.00 0.36 0.00 0.00 0.00 179.25 178.28 1iea n LYS 50 N -3.65 1.84 -0.00 0.00 2.85 -1.19 -3.96 118.16 114.05 1iea n LYS 50 Ca 0.19 -1.26 0.03 0.00 -1.05 0.00 0.00 58.31 56.22 1iea n LYS 50 Cb 1.17 -1.40 -0.03 0.00 -0.65 0.00 0.00 35.03 34.12 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 0.49 0.00 -3.74 5.58 3.72 0.41 -5.09 117.46 118.83 1iea n PHE 51 Ca 0.16 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.53 1iea n PHE 51 Cb 0.36 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 38.87 1iea n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iea s ALA 52 N -1.69 -1.72 0.16 4.37 0.00 -1.23 -5.17 121.76 116.48 1iea s ALA 52 Ca 0.01 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.17 1iea s ALA 52 Cb 0.04 0.61 -0.05 0.00 0.00 0.00 0.00 23.12 23.72 1iea s ALA 52 CO 0.22 -1.05 -0.06 -1.54 0.00 0.00 0.00 175.76 173.33 1iea s SER 53 N -2.97 1.59 -0.14 0.00 1.04 -1.26 -4.71 113.70 107.25 1iea s SER 53 Ca 0.13 -1.08 -0.08 0.00 0.48 0.00 0.00 55.95 55.40 1iea s SER 53 Cb -0.01 0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.20 1iea s SER 53 CO 0.02 -0.43 0.35 0.12 0.98 0.00 0.00 173.24 174.27 1iea s PHE 54 N -3.45 -0.48 -0.66 5.02 5.36 -1.26 -5.11 117.98 117.39 1iea s PHE 54 Ca 0.19 1.08 -0.27 0.00 -0.96 0.00 0.00 56.93 56.97 1iea s PHE 54 Cb 0.04 0.18 0.03 0.00 -0.34 0.00 0.00 43.02 42.93 1iea s PHE 54 CO 0.02 -0.29 1.21 -1.21 -1.46 0.00 0.00 175.22 173.49 1iea s GLU 55 N 1.23 3.32 0.54 10.12 2.02 -1.26 -4.70 118.70 129.97 1iea s GLU 55 Ca -0.09 -0.08 0.31 0.00 0.02 0.00 0.00 54.97 55.13 1iea s GLU 55 Cb -0.08 -4.11 1.47 0.00 0.10 0.00 0.00 34.13 31.51 1iea s GLU 55 CO -0.10 -1.90 1.90 0.00 0.02 0.00 0.00 175.26 175.18 1iea h ALA 56 N 9.77 2.75 -0.06 5.21 0.00 -1.93 -1.14 119.26 133.85 1iea h ALA 56 Ca -0.27 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1iea h ALA 56 Cb 1.06 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1iea h ALA 56 CO 1.23 -1.02 -0.45 1.96 0.00 0.00 0.00 179.25 180.96 1iea h GLN 57 N 0.00 0.14 -0.93 0.00 1.08 -1.91 -2.41 115.11 111.08 1iea h GLN 57 Ca 0.39 -0.07 0.10 0.00 -1.45 0.00 0.00 58.65 57.62 1iea h GLN 57 Cb 1.59 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.95 1iea h GLN 57 CO -0.00 0.57 0.60 0.78 -0.95 0.00 0.00 178.83 179.83 1iea h GLY 58 N 1.32 1.40 1.41 3.46 0.00 -1.62 0.24 103.07 109.28 1iea h GLY 58 Ca 0.01 -0.39 -0.17 0.00 0.00 0.00 0.00 47.33 46.78 1iea h GLY 58 CO 0.07 0.21 -0.56 0.00 0.00 0.00 0.00 176.54 176.25 1iea h ALA 59 N 1.54 0.65 -0.12 3.60 0.00 -1.56 -1.37 119.26 122.00 1iea h ALA 59 Ca 0.44 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1iea h ALA 59 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1iea h ALA 59 CO -0.20 0.69 -0.46 -0.07 0.00 0.00 0.00 179.25 179.21 1iea h LEU 60 N 0.47 0.33 -0.06 0.00 3.38 -0.48 -1.04 115.31 117.90 1iea h LEU 60 Ca 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1iea h LEU 60 Cb 1.12 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1iea h LEU 60 CO 0.11 0.74 0.01 0.00 0.09 0.00 0.00 178.44 179.39 1iea h ALA 61 N 1.27 0.08 -0.82 1.53 0.00 -0.40 -0.74 119.26 120.19 1iea h ALA 61 Ca 0.02 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1iea h ALA 61 Cb 0.91 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1iea h ALA 61 CO 0.07 -0.28 0.53 -0.91 0.00 0.00 0.00 179.25 178.66 1iea h ASN 62 N -0.14 0.74 0.29 0.00 4.21 -1.05 -0.87 115.58 118.75 1iea h ASN 62 Ca 0.02 0.01 -0.13 0.00 1.21 0.00 0.00 56.30 57.41 1iea h ASN 62 Cb 0.27 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.32 1iea h ASN 62 CO 0.00 0.45 -0.51 0.40 -1.29 0.00 0.00 177.43 176.48 1iea h ILE 63 N 0.82 1.35 -0.59 2.81 1.08 -0.79 -1.83 117.51 120.37 1iea h ILE 63 Ca 0.37 -1.76 -0.01 0.00 -0.39 0.00 0.00 64.86 63.07 1iea h ILE 63 Cb 0.34 1.85 -0.03 0.00 -3.07 0.00 0.00 36.82 35.91 1iea h ILE 63 CO -0.14 0.52 0.34 0.00 -0.69 0.00 0.00 178.15 178.19 1iea h ALA 64 N 1.27 0.76 -0.48 1.87 0.00 0.22 -0.01 119.26 122.88 1iea h ALA 64 Ca 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1iea h ALA 64 Cb 0.97 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1iea h ALA 64 CO 0.08 0.26 0.23 0.28 0.00 0.00 0.00 179.25 180.09 1iea h VAL 65 N 0.80 1.19 -0.19 0.00 2.07 -0.96 -1.40 116.25 117.77 1iea h VAL 65 Ca 0.21 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1iea h VAL 65 Cb 0.01 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1iea h VAL 65 CO -0.04 0.21 -0.16 0.44 0.02 0.00 0.00 177.57 178.05 1iea h ASP 66 N 0.64 0.30 -0.47 0.57 3.32 -1.08 0.16 116.42 119.85 1iea h ASP 66 Ca 0.17 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 1iea h ASP 66 Cb 0.12 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1iea h ASP 66 CO -0.02 0.48 -0.15 0.50 -1.72 0.00 0.00 179.24 178.33 1iea h LYS 67 N 0.29 0.94 -0.11 3.56 3.64 -0.27 0.67 116.57 125.28 1iea h LYS 67 Ca 0.05 -0.38 -0.05 0.00 -1.27 0.00 0.00 60.65 59.01 1iea h LYS 67 Cb 0.45 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1iea h LYS 67 CO 0.03 1.04 -0.11 0.00 -2.27 0.00 0.00 179.45 178.14 1iea h ALA 68 N 0.87 0.17 -0.30 5.00 0.00 -0.97 -3.16 119.26 120.87 1iea h ALA 68 Ca 0.11 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1iea h ALA 68 Cb 0.72 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1iea h ALA 68 CO 0.05 0.01 0.20 -0.91 0.00 0.00 0.00 179.25 178.61 1iea h ASN 69 N -0.12 0.22 -0.85 0.00 2.35 -0.85 -1.62 115.58 114.71 1iea h ASN 69 Ca 0.02 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1iea h ASN 69 Cb 0.63 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.91 1iea h ASN 69 CO 0.03 0.15 0.42 0.25 -1.65 0.00 0.00 177.43 176.62 1iea h LEU 70 N 0.25 1.10 -0.59 1.61 5.85 -0.82 -0.69 115.31 122.03 1iea h LEU 70 Ca 0.12 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1iea h LEU 70 Cb 0.18 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1iea h LEU 70 CO -0.02 0.92 0.20 0.44 -0.34 0.00 0.00 178.44 179.64 1iea h ASP 71 N 1.21 0.85 -0.23 1.25 3.32 -1.33 -0.85 116.42 120.64 1iea h ASP 71 Ca 0.29 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1iea h ASP 71 Cb 0.10 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1iea h ASP 71 CO -0.04 0.82 0.13 0.58 -1.72 0.00 0.00 179.24 179.01 1iea h VAL 72 N 0.83 1.11 -0.46 -1.35 2.07 -1.29 -1.37 116.25 115.79 1iea h VAL 72 Ca 0.19 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1iea h VAL 72 Cb 0.26 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1iea h VAL 72 CO -0.01 0.10 0.08 0.24 0.02 0.00 0.00 177.57 178.00 1iea h MET 73 N 0.27 0.70 -0.36 1.57 2.86 -0.99 0.27 114.93 119.25 1iea h MET 73 Ca 0.08 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1iea h MET 73 Cb 0.05 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1iea h MET 73 CO -0.01 0.66 0.10 0.87 1.06 0.00 0.00 176.91 179.58 1iea h LYS 74 N 0.67 0.56 0.57 1.72 1.57 -0.83 -2.02 116.57 118.82 1iea h LYS 74 Ca 0.15 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1iea h LYS 74 Cb 0.30 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.54 1iea h LYS 74 CO 0.00 0.60 -0.27 0.93 -0.57 0.00 0.00 179.45 180.14 1iea h GLU 75 N 0.43 -0.74 -0.90 3.15 5.08 -0.58 0.53 114.58 121.55 1iea h GLU 75 Ca 0.11 0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.71 1iea h GLU 75 Cb 0.28 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.63 1iea h GLU 75 CO -0.00 -0.47 0.59 -0.09 -1.00 0.00 0.00 179.01 178.04 1iea h ARG 76 N -0.82 0.49 -0.57 2.33 2.43 -0.97 0.15 114.38 117.42 1iea h ARG 76 Ca -0.08 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1iea h ARG 76 Cb 0.61 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1iea h ARG 76 CO 0.13 0.33 0.00 -1.13 -1.51 0.00 0.00 179.97 177.79 1iea n SER 77 N -4.55 3.05 -2.37 -3.80 3.41 -0.76 -4.93 113.62 103.68 1iea n SER 77 Ca 0.19 -2.00 -0.18 0.00 -0.26 0.00 0.00 58.87 56.62 1iea n SER 77 Cb 0.63 -0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 64.18 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 1.17 -5.25 -2.63 4.04 5.15 0.52 -2.01 115.26 116.24 1iea n ASN 78 Ca 0.19 0.07 -0.17 0.00 -0.60 0.00 0.00 54.58 54.08 1iea n ASN 78 Cb 0.48 -4.41 0.05 0.00 -0.53 0.00 0.00 39.78 35.38 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 -1.90 -5.04 -4.59 1.20 3.02 0.18 -4.99 115.26 103.14 1iea n ASN 79 Ca -0.21 -0.37 -0.42 0.00 -0.03 0.00 0.00 54.58 53.55 1iea n ASN 79 Cb 0.66 -3.63 -0.05 0.00 -0.61 0.00 0.00 39.78 36.15 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 -3.22 4.76 0.00 3.41 2.01 -0.85 -5.05 115.64 116.70 1iea s THR 80 Ca 0.40 0.96 0.00 0.00 0.31 0.00 0.00 61.69 63.36 1iea s THR 80 Cb -0.18 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.15 1iea s THR 80 CO 0.50 -0.37 0.00 -0.81 -0.69 0.00 0.00 174.62 173.25 1iea n PRO 81 N 6.33 1.46 -1.77 4.92 -0.04 -1.26 -5.05 135.00 139.58 1iea n PRO 81 Ca 0.03 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 1iea n PRO 81 Cb 0.48 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.95 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 0.00 -0.60 -4.86 3.54 -0.08 -1.26 -5.16 116.55 108.13 1iea n ASP 82 Ca 0.00 -1.40 -0.31 0.00 -1.51 0.00 0.00 54.79 51.56 1iea n ASP 82 Cb 0.00 0.99 -0.04 0.00 2.34 0.00 0.00 41.12 44.41 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 -1.29 3.32 -0.17 -1.67 0.00 -1.26 -5.04 121.76 115.65 1iea s ALA 83 Ca 0.04 -0.09 -0.19 0.00 0.00 0.00 0.00 51.96 51.72 1iea s ALA 83 Cb -0.01 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 1iea s ALA 83 CO 0.03 0.09 0.55 -0.80 0.00 0.00 0.00 175.76 175.63 1iea s ASN 84 N -2.84 6.66 -0.32 0.00 0.01 -1.26 -4.80 114.94 112.38 1iea s ASN 84 Ca 0.53 0.79 -0.16 0.00 -0.71 0.00 0.00 52.86 53.31 1iea s ASN 84 Cb -0.10 -2.31 -0.02 0.00 0.41 0.00 0.00 41.25 39.23 1iea s ASN 84 CO 0.26 -0.14 0.41 -0.69 -1.51 0.00 0.00 177.10 175.43 1iea s VAL 85 N 1.34 5.12 0.34 1.60 1.01 0.21 -4.64 120.40 125.39 1iea s VAL 85 Ca 0.27 0.28 -0.27 0.00 0.00 0.00 0.00 61.98 62.26 1iea s VAL 85 Cb -0.16 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 1iea s VAL 85 CO 0.11 -0.06 1.13 0.00 0.00 0.00 0.00 175.10 176.28 1iea s ALA 86 N 2.14 3.29 0.85 5.51 0.00 -1.26 -1.91 121.76 130.38 1iea s ALA 86 Ca 0.15 0.92 -0.13 0.00 0.00 0.00 0.00 51.96 52.90 1iea s ALA 86 Cb -0.16 -3.35 0.11 0.00 0.00 0.00 0.00 23.12 19.72 1iea s ALA 86 CO 0.12 -0.32 1.19 -1.25 0.00 0.00 0.00 175.76 175.50 1iea s PRO 87 N -1.91 1.60 -0.19 0.00 0.04 -1.26 -4.56 135.00 128.72 1iea s PRO 87 Ca 0.51 0.07 -0.04 0.00 0.04 0.00 0.00 61.00 61.58 1iea s PRO 87 Cb -0.31 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1iea s PRO 87 CO 0.39 -1.84 -0.02 -1.21 0.04 0.00 0.00 177.00 174.35 1iea s GLU 88 N -5.56 3.59 -0.10 4.56 2.02 0.40 -4.90 118.70 118.71 1iea s GLU 88 Ca 0.64 -0.54 -0.00 0.00 0.02 0.00 0.00 54.97 55.08 1iea s GLU 88 Cb -0.11 -3.00 -0.03 0.00 0.10 0.00 0.00 34.13 31.10 1iea s GLU 88 CO 0.50 0.06 -0.07 0.08 0.02 0.00 0.00 175.26 175.85 1iea s VAL 89 N 0.85 3.66 -0.03 2.63 1.01 -1.26 -0.84 120.40 126.43 1iea s VAL 89 Ca -0.00 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1iea s VAL 89 Cb -0.14 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.72 1iea s VAL 89 CO 0.02 0.56 -0.05 -0.89 0.00 0.00 0.00 175.10 174.75 1iea s THR 90 N -0.39 0.47 -0.08 3.92 2.01 -0.66 -5.00 115.64 115.91 1iea s THR 90 Ca 0.06 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 61.93 1iea s THR 90 Cb -0.12 -0.46 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 1iea s THR 90 CO 0.02 0.18 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.29 1iea s VAL 91 N 0.49 2.94 0.21 3.82 1.01 -1.26 -1.13 120.40 126.48 1iea s VAL 91 Ca -0.06 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 1iea s VAL 91 Cb -0.10 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.13 1iea s VAL 91 CO -0.00 0.57 0.52 -1.48 0.00 0.00 0.00 175.10 174.70 1iea s LEU 92 N -0.28 0.14 0.01 3.92 2.34 -0.55 -4.98 118.68 119.29 1iea s LEU 92 Ca 0.02 -0.61 -0.03 0.00 0.06 0.00 0.00 54.13 53.56 1iea s LEU 92 Cb -0.13 2.07 -0.04 0.00 -0.56 0.00 0.00 46.19 47.53 1iea s LEU 92 CO 0.03 -1.09 0.22 -0.94 -1.06 0.00 0.00 176.35 173.50 1iea s SER 93 N -2.91 6.41 0.45 1.48 1.04 -1.26 0.95 113.70 119.85 1iea s SER 93 Ca 0.12 0.40 0.14 0.00 0.48 0.00 0.00 55.95 57.10 1iea s SER 93 Cb -0.01 -2.02 1.02 0.00 0.10 0.00 0.00 66.02 65.11 1iea s SER 93 CO 0.01 0.23 2.01 -0.09 0.98 0.00 0.00 173.24 176.38 1iea h ARG 94 N 3.69 0.01 -4.40 4.02 2.43 -1.30 -3.45 114.38 115.38 1iea h ARG 94 Ca -0.48 -0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.52 1iea h ARG 94 Cb 1.18 -0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.58 1iea h ARG 94 CO 0.70 0.17 -0.67 -1.12 -1.51 0.00 0.00 179.97 177.54 1iea s SER 95 N -7.01 0.51 0.14 -3.80 0.01 -1.26 -5.04 113.70 97.25 1iea s SER 95 Ca -0.04 -1.11 -0.31 0.00 1.31 0.00 0.00 55.95 55.80 1iea s SER 95 Cb 0.16 0.23 -0.11 0.00 0.21 0.00 0.00 66.02 66.51 1iea s SER 95 CO 0.70 -0.65 1.78 -2.84 0.41 0.00 0.00 173.24 172.64 1iea s PRO 96 N -3.97 4.14 -0.13 12.44 0.02 -1.26 -4.91 135.00 141.33 1iea s PRO 96 Ca 0.16 2.57 -0.29 0.00 0.02 0.00 0.00 61.00 63.46 1iea s PRO 96 Cb 0.07 -3.45 -0.02 0.00 0.02 0.00 0.00 34.50 31.13 1iea s PRO 96 CO -0.03 -0.80 1.18 0.08 -0.33 0.00 0.00 177.00 177.09 1iea s VAL 97 N 2.28 4.38 -0.07 3.83 1.01 -1.26 -5.04 120.40 125.53 1iea s VAL 97 Ca 0.79 1.68 0.04 0.00 0.00 0.00 0.00 61.98 64.49 1iea s VAL 97 Cb -0.46 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 31.83 1iea s VAL 97 CO 0.35 -0.08 -0.19 0.20 0.00 0.00 0.00 175.10 175.38 1iea s ASN 98 N 1.58 2.48 0.22 3.32 0.01 -1.26 -5.08 114.94 116.21 1iea s ASN 98 Ca 0.53 -0.43 -0.31 0.00 -0.71 0.00 0.00 52.86 51.94 1iea s ASN 98 Cb -0.21 -0.99 -0.14 0.00 0.41 0.00 0.00 41.25 40.31 1iea s ASN 98 CO 0.16 0.13 1.25 0.18 -1.51 0.00 0.00 177.10 177.32 1iea n LEU 99 N 3.46 2.29 0.00 0.60 4.77 -1.26 -1.70 117.00 125.17 1iea n LEU 99 Ca -0.20 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 1iea n LEU 99 Cb 0.52 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1iea n LEU 99 CO 0.26 -0.94 0.00 0.61 -1.33 0.00 0.00 177.39 175.99 1iea n GLY 100 N 1.94 2.29 3.58 -0.72 0.00 -0.96 -4.97 105.19 106.34 1iea n GLY 100 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 3.86 0.21 1.61 2.02 -0.69 -4.90 118.70 120.82 1iea s GLU 101 Ca 0.00 -0.18 -0.32 0.00 0.02 0.00 0.00 54.97 54.49 1iea s GLU 101 Cb 0.00 -3.70 -0.14 0.00 0.10 0.00 0.00 34.13 30.39 1iea s GLU 101 CO 0.00 -0.33 1.42 -2.30 0.02 0.00 0.00 175.26 174.06 1iea n PRO 102 N 5.29 1.95 -4.27 0.39 -0.02 -1.26 -4.19 135.00 132.88 1iea n PRO 102 Ca -0.10 0.70 -0.17 0.00 -2.02 0.00 0.00 63.50 61.91 1iea n PRO 102 Cb 0.51 -2.36 -0.09 0.00 -0.02 0.00 0.00 33.50 31.53 1iea n PRO 102 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1iea s ASN 103 N 0.39 1.14 -0.10 2.55 3.84 0.18 -5.00 114.94 117.93 1iea s ASN 103 Ca 0.71 -1.58 0.02 0.00 0.21 0.00 0.00 52.86 52.22 1iea s ASN 103 Cb -0.68 0.45 0.01 0.00 -0.55 0.00 0.00 41.25 40.48 1iea s ASN 103 CO 0.47 -0.94 -0.15 -0.63 -2.79 0.00 0.00 177.10 173.06 1iea s ILE 104 N -3.73 1.49 0.03 -5.21 1.01 -1.26 -0.15 121.20 113.38 1iea s ILE 104 Ca 0.39 -0.65 -0.24 0.00 0.00 0.00 0.00 60.65 60.15 1iea s ILE 104 Cb 0.05 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 1iea s ILE 104 CO 0.20 0.44 0.74 -0.76 0.00 0.00 0.00 174.94 175.56 1iea s LEU 105 N 0.90 4.44 -0.25 2.97 1.43 0.25 -0.77 118.68 127.64 1iea s LEU 105 Ca -0.09 1.40 -0.06 0.00 -1.03 0.00 0.00 54.13 54.35 1iea s LEU 105 Cb -0.15 -3.19 -0.01 0.00 0.03 0.00 0.00 46.19 42.87 1iea s LEU 105 CO -0.00 0.01 0.04 -0.63 0.23 0.00 0.00 176.35 176.00 1iea s ILE 106 N -0.00 3.92 -0.55 -0.59 1.01 0.27 -0.91 121.20 124.35 1iea s ILE 106 Ca 0.38 -0.42 -0.15 0.00 0.00 0.00 0.00 60.65 60.46 1iea s ILE 106 Cb -0.20 -2.88 0.14 0.00 0.01 0.00 0.00 42.46 39.53 1iea s ILE 106 CO 0.22 0.29 0.50 0.00 0.00 0.00 0.00 174.94 175.95 1iea s PHE 108 N 1.46 3.13 -0.23 0.00 5.36 -0.28 -1.22 117.98 126.19 1iea s PHE 108 Ca 0.04 0.21 -0.08 0.00 -0.96 0.00 0.00 56.93 56.14 1iea s PHE 108 Cb -0.28 -3.18 -0.04 0.00 -0.34 0.00 0.00 43.02 39.18 1iea s PHE 108 CO 0.02 -0.69 0.10 0.42 -1.46 0.00 0.00 175.22 173.60 1iea s ILE 109 N 2.72 4.80 0.19 3.12 1.01 -0.10 -1.65 121.20 131.28 1iea s ILE 109 Ca 0.23 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.89 1iea s ILE 109 Cb -0.14 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 1iea s ILE 109 CO 0.16 0.37 0.01 -0.62 0.00 0.00 0.00 174.94 174.86 1iea s ASP 110 N 1.13 1.27 -1.36 3.58 2.15 -0.02 -0.49 116.67 122.93 1iea s ASP 110 Ca 0.05 -1.20 -0.09 0.00 0.43 0.00 0.00 52.55 51.74 1iea s ASP 110 Cb -0.14 0.11 0.01 0.00 -0.30 0.00 0.00 42.92 42.60 1iea s ASP 110 CO 0.04 -0.58 0.43 0.29 -0.17 0.00 0.00 175.17 175.18 1iea n LYS 111 N -0.28 -1.90 -4.25 4.34 5.02 -1.03 -0.45 118.16 119.61 1iea n LYS 111 Ca -0.06 0.29 -0.14 0.00 -2.02 0.00 0.00 58.31 56.39 1iea n LYS 111 Cb 0.64 -3.92 -0.10 0.00 -0.02 0.00 0.00 35.03 31.63 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 -3.90 1.23 -0.25 2.13 -0.71 -1.15 -4.32 117.98 111.00 1iea s PHE 112 Ca 0.16 -0.99 -0.27 0.00 -1.04 0.00 0.00 56.93 54.79 1iea s PHE 112 Cb -0.07 -0.70 0.14 0.00 -1.21 0.00 0.00 43.02 41.18 1iea s PHE 112 CO 0.92 -0.18 1.13 0.45 -1.34 0.00 0.00 175.22 176.20 1iea s SER 113 N -3.18 -0.31 0.81 1.98 0.15 -0.80 -0.87 113.70 111.48 1iea s SER 113 Ca 0.23 0.52 -0.10 0.00 0.70 0.00 0.00 55.95 57.29 1iea s SER 113 Cb 0.06 0.49 0.08 0.00 -1.71 0.00 0.00 66.02 64.94 1iea s SER 113 CO 0.04 -0.17 1.10 -2.16 1.20 0.00 0.00 173.24 173.25 1iea s PRO 114 N -0.30 1.93 -0.89 5.44 0.04 -1.26 0.64 135.00 140.59 1iea s PRO 114 Ca 0.03 1.22 -0.19 0.00 0.04 0.00 0.00 61.00 62.10 1iea s PRO 114 Cb -0.03 -1.86 -0.12 0.00 0.04 0.00 0.00 34.50 32.53 1iea s PRO 114 CO -0.06 -1.89 2.00 -0.35 0.04 0.00 0.00 177.00 176.74 1iea n PRO 115 N -3.70 1.77 -3.61 0.56 -0.04 -1.26 -4.75 135.00 123.98 1iea n PRO 115 Ca 0.09 -1.93 -0.03 0.00 -0.04 0.00 0.00 63.50 61.59 1iea n PRO 115 Cb 0.53 -2.94 -0.06 0.00 -0.04 0.00 0.00 33.50 30.99 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 4.58 -0.88 0.03 0.52 -7.23 -1.26 -5.02 120.40 111.14 1iea s VAL 116 Ca 0.55 0.05 -0.03 0.00 -1.81 0.00 0.00 61.98 60.74 1iea s VAL 116 Cb 0.14 -0.89 -0.02 0.00 0.56 0.00 0.00 36.38 36.18 1iea s VAL 116 CO 0.07 0.02 0.03 0.68 -0.31 0.00 0.00 175.10 175.60 1iea s VAL 117 N 2.79 0.13 -0.27 1.32 -7.23 -1.26 -4.70 120.40 111.19 1iea s VAL 117 Ca -0.02 -1.10 -0.04 0.00 -1.81 0.00 0.00 61.98 59.00 1iea s VAL 117 Cb -0.12 -0.72 0.02 0.00 0.56 0.00 0.00 36.38 36.12 1iea s VAL 117 CO -0.17 -0.61 0.01 0.20 -0.31 0.00 0.00 175.10 174.22 1iea s ASN 118 N -1.94 4.72 0.01 4.85 0.01 -0.19 -4.96 114.94 117.45 1iea s ASN 118 Ca -0.08 -0.79 0.06 0.00 -0.71 0.00 0.00 52.86 51.34 1iea s ASN 118 Cb -0.04 -1.77 -0.03 0.00 0.41 0.00 0.00 41.25 39.82 1iea s ASN 118 CO -0.03 -0.16 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.55 1iea s VAL 119 N 1.41 2.92 -0.13 1.60 1.01 -1.26 0.57 120.40 126.52 1iea s VAL 119 Ca 0.01 -1.03 -0.05 0.00 0.00 0.00 0.00 61.98 60.91 1iea s VAL 119 Cb -0.17 -2.21 0.06 0.00 0.00 0.00 0.00 36.38 34.07 1iea s VAL 119 CO -0.01 0.41 0.26 -0.89 0.00 0.00 0.00 175.10 174.88 1iea s THR 120 N -0.88 -0.33 0.20 3.92 2.01 -0.07 -4.99 115.64 115.50 1iea s THR 120 Ca 0.14 0.25 -0.27 0.00 0.31 0.00 0.00 61.69 62.12 1iea s THR 120 Cb -0.11 -0.44 -0.08 0.00 0.01 0.00 0.00 72.50 71.88 1iea s THR 120 CO 0.04 0.10 0.85 0.26 -0.69 0.00 0.00 174.62 175.18 1iea s TRP 121 N 2.16 3.92 -0.09 4.92 0.52 -1.26 -1.01 118.94 128.10 1iea s TRP 121 Ca -0.01 1.75 -0.00 0.00 0.02 0.00 0.00 56.10 57.85 1iea s TRP 121 Cb -0.12 -2.85 0.02 0.00 -1.15 0.00 0.00 33.47 29.37 1iea s TRP 121 CO -0.09 0.48 -0.05 -0.51 0.02 0.00 0.00 176.95 176.80 1iea s LEU 122 N -1.23 1.04 -0.30 2.99 1.43 0.08 -1.43 118.68 121.27 1iea s LEU 122 Ca 0.39 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 53.23 1iea s LEU 122 Cb -0.24 -0.66 0.03 0.00 0.03 0.00 0.00 46.19 45.35 1iea s LEU 122 CO 0.28 -0.12 0.04 -0.60 0.23 0.00 0.00 176.35 176.18 1iea s ARG 123 N 1.63 2.78 -1.24 1.70 3.52 -0.24 0.03 118.95 127.13 1iea s ARG 123 Ca 0.02 -1.05 -0.11 0.00 -0.13 0.00 0.00 55.73 54.45 1iea s ARG 123 Cb -0.13 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 29.98 1iea s ARG 123 CO -0.05 -0.53 0.68 0.09 -0.81 0.00 0.00 175.30 174.68 1iea n ASN 124 N 4.76 -3.29 0.00 -2.12 3.02 0.62 -1.33 115.26 116.92 1iea n ASN 124 Ca -0.14 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 1iea n ASN 124 Cb 0.46 -3.48 0.00 0.00 -0.61 0.00 0.00 39.78 36.15 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 0.21 3.43 7.41 0.00 -1.26 -4.98 105.19 108.27 1iea n GLY 125 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.15 2.63 0.09 1.61 3.00 -0.44 -5.03 118.95 119.66 1iea s ARG 126 Ca 0.00 -0.73 -0.31 0.00 0.00 0.00 0.00 55.73 54.70 1iea s ARG 126 Cb 0.00 -2.38 -0.10 0.00 0.00 0.00 0.00 34.95 32.47 1iea s ARG 126 CO 0.00 0.53 1.86 -2.14 0.00 0.00 0.00 175.30 175.55 1iea s PRO 127 N -0.49 4.14 -0.30 3.54 0.02 -1.26 -1.08 135.00 139.58 1iea s PRO 127 Ca 0.06 2.58 -0.12 0.00 0.02 0.00 0.00 61.00 63.54 1iea s PRO 127 Cb -0.12 -3.79 -0.04 0.00 0.02 0.00 0.00 34.50 30.57 1iea s PRO 127 CO 0.02 -0.88 0.23 0.08 -0.33 0.00 0.00 177.00 176.12 1iea s VAL 128 N 3.34 5.28 -1.09 3.83 1.01 -0.51 -4.91 120.40 127.35 1iea s VAL 128 Ca 0.83 0.12 0.13 0.00 0.00 0.00 0.00 61.98 63.06 1iea s VAL 128 Cb -0.44 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1iea s VAL 128 CO 0.38 0.17 0.71 0.35 0.00 0.00 0.00 175.10 176.70 1iea n THR 129 N 5.09 0.00 -4.43 3.92 -2.24 -1.26 -4.53 114.28 110.83 1iea n THR 129 Ca -0.13 -0.32 -0.32 0.00 -2.27 0.00 0.00 64.05 61.01 1iea n THR 129 Cb 0.51 1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 69.76 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 -1.80 2.57 -0.51 -0.78 0.41 -1.26 -4.61 118.70 112.72 1iea s GLU 130 Ca 0.10 -0.71 0.00 0.00 -0.41 0.00 0.00 54.97 53.94 1iea s GLU 130 Cb 0.11 -2.52 0.00 0.00 -1.78 0.00 0.00 34.13 29.94 1iea s GLU 130 CO 0.39 0.60 0.00 0.41 -0.49 0.00 0.00 175.26 176.17 1iea n GLY 131 N 1.51 0.73 3.61 -1.39 0.00 -1.26 -4.79 105.19 103.60 1iea n GLY 131 Ca -0.15 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.04 3.53 0.24 1.61 -7.23 -1.26 -0.84 120.40 114.41 1iea s VAL 132 Ca 0.00 -1.26 -0.10 0.00 -1.81 0.00 0.00 61.98 58.81 1iea s VAL 132 Cb 0.00 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 1iea s VAL 132 CO 0.00 0.07 0.41 -0.94 -0.31 0.00 0.00 175.10 174.33 1iea s SER 133 N -2.36 -0.01 0.13 4.85 1.04 -0.57 -5.00 113.70 111.78 1iea s SER 133 Ca 0.23 -1.04 -0.21 0.00 0.48 0.00 0.00 55.95 55.41 1iea s SER 133 Cb -0.11 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.62 1iea s SER 133 CO 0.15 -1.09 0.54 -1.83 0.98 0.00 0.00 173.24 171.99 1iea s GLU 134 N -4.00 1.19 0.37 4.02 -1.05 -1.26 -1.12 118.70 116.84 1iea s GLU 134 Ca 0.26 -0.48 0.07 0.00 -0.15 0.00 0.00 54.97 54.67 1iea s GLU 134 Cb 0.01 0.54 -0.01 0.00 -0.44 0.00 0.00 34.13 34.23 1iea s GLU 134 CO 0.10 -0.49 0.43 0.95 0.95 0.00 0.00 175.26 177.20 1iea s THR 135 N -3.53 3.45 0.96 1.83 -4.23 -0.63 -5.03 115.64 108.46 1iea s THR 135 Ca 0.00 -1.15 -0.16 0.00 -1.18 0.00 0.00 61.69 59.20 1iea s THR 135 Cb -0.00 -3.19 0.20 0.00 1.34 0.00 0.00 72.50 70.85 1iea s THR 135 CO -0.11 -0.10 1.32 0.68 -0.54 0.00 0.00 174.62 175.87 1iea s VAL 136 N -2.30 2.00 -0.09 2.29 -7.23 -1.26 -4.67 120.40 109.14 1iea s VAL 136 Ca 0.47 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.34 1iea s VAL 136 Cb -0.08 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.84 1iea s VAL 136 CO 0.30 0.00 1.35 -0.36 -0.31 0.00 0.00 175.10 176.08 1iea s PHE 137 N -3.87 2.75 0.04 2.82 0.40 -1.26 -4.66 117.98 114.18 1iea s PHE 137 Ca 0.74 0.85 0.01 0.00 -0.60 0.00 0.00 56.93 57.93 1iea s PHE 137 Cb -0.04 -3.60 -0.04 0.00 0.51 0.00 0.00 43.02 39.85 1iea s PHE 137 CO 0.53 -2.19 0.11 -0.51 0.70 0.00 0.00 175.22 173.87 1iea s LEU 138 N 3.15 3.99 0.77 -0.37 1.43 0.46 -4.93 118.68 123.18 1iea s LEU 138 Ca 0.60 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.72 1iea s LEU 138 Cb -0.26 -2.51 0.05 0.00 0.03 0.00 0.00 46.19 43.50 1iea s LEU 138 CO 0.21 0.22 1.10 -2.16 0.23 0.00 0.00 176.35 175.95 1iea s PRO 139 N -2.13 2.36 0.41 1.29 0.04 -1.26 -1.49 135.00 134.22 1iea s PRO 139 Ca 0.28 0.55 0.04 0.00 0.04 0.00 0.00 61.00 61.90 1iea s PRO 139 Cb -0.12 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1iea s PRO 139 CO 0.20 -1.41 0.06 1.03 0.04 0.00 0.00 177.00 176.92 1iea s ARG 140 N -5.25 1.92 0.27 4.56 0.52 -1.20 -4.73 118.95 115.05 1iea s ARG 140 Ca 0.60 -2.15 -0.03 0.00 -0.52 0.00 0.00 55.73 53.63 1iea s ARG 140 Cb -0.13 -1.05 0.36 0.00 0.52 0.00 0.00 34.95 34.65 1iea s ARG 140 CO 0.53 -0.31 1.86 -0.44 0.02 0.00 0.00 175.30 176.96 1iea h ASP 141 N 1.77 0.91 0.00 0.23 5.19 -1.98 -3.44 116.42 119.09 1iea h ASP 141 Ca -0.40 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 1iea h ASP 141 Cb 1.27 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.55 1iea h ASP 141 CO 0.68 0.79 0.00 -0.90 -3.12 0.00 0.00 179.24 176.69 1iea n ASP 142 N -4.32 0.00 -0.53 6.45 5.68 -1.26 -4.98 116.55 117.59 1iea n ASP 142 Ca 0.06 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.45 1iea n ASP 142 Cb 0.15 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.15 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 -3.02 2.11 1.44 -1.26 -5.01 115.22 109.48 1iea n HIS 143 Ca 0.00 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.54 1iea n HIS 143 Cb 0.00 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.13 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 -2.09 3.57 0.29 2.39 1.43 -1.26 -4.98 118.68 118.03 1iea s LEU 144 Ca 0.18 -0.49 0.10 0.00 -1.03 0.00 0.00 54.13 52.89 1iea s LEU 144 Cb 0.16 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 1iea s LEU 144 CO 0.42 -0.85 -0.06 -0.36 0.23 0.00 0.00 176.35 175.73 1iea s PHE 145 N -2.40 2.54 0.09 0.29 0.40 -0.05 -3.22 117.98 115.63 1iea s PHE 145 Ca 0.56 -0.30 0.02 0.00 -0.60 0.00 0.00 56.93 56.62 1iea s PHE 145 Cb -0.09 -1.19 -0.04 0.00 0.51 0.00 0.00 43.02 42.21 1iea s PHE 145 CO 0.34 0.62 -0.08 -0.98 0.70 0.00 0.00 175.22 175.82 1iea s ARG 146 N -3.63 0.81 -0.19 0.44 1.70 -0.56 -2.47 118.95 115.06 1iea s ARG 146 Ca 0.32 -1.23 -0.21 0.00 -0.47 0.00 0.00 55.73 54.14 1iea s ARG 146 Cb -0.05 -0.32 0.06 0.00 -0.57 0.00 0.00 34.95 34.07 1iea s ARG 146 CO 0.18 0.02 0.57 0.21 -1.08 0.00 0.00 175.30 175.20 1iea s LYS 147 N -3.29 0.70 -0.10 3.89 2.20 0.36 -0.41 119.74 123.09 1iea s LYS 147 Ca 0.08 0.70 -0.01 0.00 -0.36 0.00 0.00 55.97 56.38 1iea s LYS 147 Cb 0.01 0.34 -0.03 0.00 -1.51 0.00 0.00 37.83 36.65 1iea s LYS 147 CO -0.03 -0.11 -0.07 -0.06 -0.36 0.00 0.00 175.35 174.73 1iea s PHE 148 N 0.09 2.94 -0.06 4.03 0.08 -1.26 -0.93 117.98 122.87 1iea s PHE 148 Ca -0.02 -0.16 0.04 0.00 0.12 0.00 0.00 56.93 56.91 1iea s PHE 148 Cb -0.04 -1.80 0.00 0.00 -0.57 0.00 0.00 43.02 40.62 1iea s PHE 148 CO 0.02 0.15 -0.16 -1.01 -0.10 0.00 0.00 175.22 174.12 1iea s HIS 149 N -0.32 1.75 0.01 0.36 3.76 -0.36 -1.61 115.29 118.88 1iea s HIS 149 Ca 0.05 -0.59 0.08 0.00 -0.15 0.00 0.00 55.06 54.45 1iea s HIS 149 Cb -0.13 -1.21 -0.02 0.00 1.11 0.00 0.00 32.58 32.33 1iea s HIS 149 CO 0.02 -0.24 -0.25 0.71 -0.85 0.00 0.00 174.74 174.13 1iea s TYR 150 N 0.30 2.26 -0.11 1.40 2.02 -0.27 0.53 117.35 123.49 1iea s TYR 150 Ca -0.10 -0.42 -0.00 0.00 -0.37 0.00 0.00 57.07 56.18 1iea s TYR 150 Cb -0.14 -1.41 0.02 0.00 -0.40 0.00 0.00 41.96 40.03 1iea s TYR 150 CO 0.04 0.03 -0.07 -1.17 -1.57 0.00 0.00 175.55 172.81 1iea s LEU 151 N -0.88 1.17 -0.15 -1.29 2.96 -0.09 -1.51 118.68 118.89 1iea s LEU 151 Ca 0.10 -0.29 -0.29 0.00 -0.22 0.00 0.00 54.13 53.43 1iea s LEU 151 Cb -0.10 -0.81 -0.00 0.00 0.50 0.00 0.00 46.19 45.78 1iea s LEU 151 CO 0.00 -0.12 1.03 -0.89 -1.32 0.00 0.00 176.35 175.05 1iea s THR 152 N 1.66 4.73 0.04 3.68 2.01 -0.02 0.84 115.64 128.58 1iea s THR 152 Ca 0.04 2.02 0.01 0.00 0.31 0.00 0.00 61.69 64.07 1iea s THR 152 Cb -0.13 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.05 1iea s THR 152 CO -0.07 -0.06 -0.05 0.72 -0.69 0.00 0.00 174.62 174.46 1iea s PHE 153 N 2.45 0.53 -0.33 4.92 -0.71 0.79 -4.91 117.98 120.71 1iea s PHE 153 Ca 0.47 -0.66 -0.10 0.00 -1.04 0.00 0.00 56.93 55.60 1iea s PHE 153 Cb -0.17 -0.34 0.00 0.00 -1.21 0.00 0.00 43.02 41.30 1iea s PHE 153 CO 0.14 -0.18 0.18 -1.17 -1.34 0.00 0.00 175.22 172.85 1iea s LEU 154 N -1.97 4.35 0.18 -1.99 2.96 -1.26 -0.65 118.68 120.30 1iea s LEU 154 Ca -0.06 -0.69 -0.33 0.00 -0.22 0.00 0.00 54.13 52.83 1iea s LEU 154 Cb -0.05 -2.02 -0.14 0.00 0.50 0.00 0.00 46.19 44.49 1iea s LEU 154 CO -0.03 -0.27 1.57 -2.65 -1.32 0.00 0.00 176.35 173.66 1iea n PRO 155 N 4.99 2.19 -3.74 0.98 -0.02 -1.26 -4.89 135.00 133.25 1iea n PRO 155 Ca -0.13 0.79 -0.10 0.00 -2.02 0.00 0.00 63.50 62.04 1iea n PRO 155 Cb 0.48 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 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 0.85 -0.09 0.00 2.55 0.15 -1.26 -2.28 113.70 113.62 1iea s SER 156 Ca 0.77 -0.48 0.26 0.00 0.70 0.00 0.00 55.95 57.21 1iea s SER 156 Cb -0.66 0.43 0.73 0.00 -1.71 0.00 0.00 66.02 64.81 1iea s SER 156 CO 0.39 -0.82 1.56 0.35 1.20 0.00 0.00 173.24 175.92 1iea n THR 157 N -0.17 0.00 -0.49 6.45 -2.24 -1.26 -4.05 114.28 112.53 1iea n THR 157 Ca -0.15 -0.27 0.11 0.00 -2.27 0.00 0.00 64.05 61.47 1iea n THR 157 Cb 0.63 0.73 0.35 0.00 -2.10 0.00 0.00 70.33 69.94 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 0.19 4.39 -4.16 3.42 8.00 -1.26 -4.93 116.55 122.20 1iea n ASP 158 Ca 0.16 -2.22 -0.24 0.00 0.71 0.00 0.00 54.79 53.19 1iea n ASP 158 Cb 0.41 -0.54 -0.15 0.00 -0.02 0.00 0.00 41.12 40.82 1iea n ASP 158 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1iea s ASP 159 N -0.95 1.99 0.03 -2.24 1.01 -1.26 -5.01 116.67 110.24 1iea s ASP 159 Ca 0.51 -0.32 0.07 0.00 0.71 0.00 0.00 52.55 53.52 1iea s ASP 159 Cb 0.30 -0.22 -0.02 0.00 1.01 0.00 0.00 42.92 43.99 1iea s ASP 159 CO 0.30 0.20 -0.22 0.72 0.21 0.00 0.00 175.17 176.38 1iea s PHE 160 N -0.43 1.91 0.32 4.23 -0.71 -1.26 -4.25 117.98 117.79 1iea s PHE 160 Ca 0.06 -0.38 0.09 0.00 -1.04 0.00 0.00 56.93 55.67 1iea s PHE 160 Cb -0.07 -1.16 -0.06 0.00 -1.21 0.00 0.00 43.02 40.52 1iea s PHE 160 CO -0.00 0.07 -0.11 0.71 -1.34 0.00 0.00 175.22 174.54 1iea s TYR 161 N -0.73 2.30 -0.05 3.49 1.51 0.21 -0.28 117.35 123.81 1iea s TYR 161 Ca 0.08 -0.50 -0.11 0.00 -1.01 0.00 0.00 57.07 55.53 1iea s TYR 161 Cb -0.09 -1.26 0.02 0.00 -0.11 0.00 0.00 41.96 40.52 1iea s TYR 161 CO 0.01 0.56 0.27 -0.51 -1.11 0.00 0.00 175.55 174.76 1iea s ASP 162 N -3.56 -0.19 -0.27 2.29 1.01 0.10 -0.67 116.67 115.38 1iea s ASP 162 Ca 0.31 0.22 0.02 0.00 0.71 0.00 0.00 52.55 53.81 1iea s ASP 162 Cb 0.01 0.40 0.06 0.00 1.01 0.00 0.00 42.92 44.40 1iea s ASP 162 CO 0.15 -0.29 -0.08 0.00 0.21 0.00 0.00 175.17 175.16 1iea s GLU 164 N 1.15 3.90 -0.15 0.00 2.12 -0.18 -1.04 118.70 124.50 1iea s GLU 164 Ca -0.08 -0.35 0.02 0.00 0.36 0.00 0.00 54.97 54.92 1iea s GLU 164 Cb -0.20 -3.57 0.01 0.00 0.26 0.00 0.00 34.13 30.63 1iea s GLU 164 CO -0.04 -0.15 -0.20 0.08 -0.54 0.00 0.00 175.26 174.41 1iea s VAL 165 N 1.64 2.22 0.02 3.70 1.01 0.79 -0.89 120.40 128.88 1iea s VAL 165 Ca 0.07 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1iea s VAL 165 Cb -0.16 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1iea s VAL 165 CO 0.09 0.54 -0.06 -0.62 0.00 0.00 0.00 175.10 175.05 1iea s ASP 166 N 0.90 4.69 -0.20 3.32 2.15 0.19 -0.02 116.67 127.70 1iea s ASP 166 Ca -0.05 -0.15 -0.27 0.00 0.43 0.00 0.00 52.55 52.51 1iea s ASP 166 Cb -0.15 -1.09 0.07 0.00 -0.30 0.00 0.00 42.92 41.45 1iea s ASP 166 CO -0.03 0.27 0.73 -2.28 -0.17 0.00 0.00 175.17 173.69 1iea s HIS 167 N -1.04 -0.73 -0.71 -5.34 5.65 -1.26 -1.02 115.29 110.84 1iea s HIS 167 Ca 0.18 1.63 0.03 0.00 0.25 0.00 0.00 55.06 57.15 1iea s HIS 167 Cb -0.11 0.32 0.16 0.00 -1.18 0.00 0.00 32.58 31.76 1iea s HIS 167 CO 0.09 -0.44 1.01 0.91 -0.65 0.00 0.00 174.74 175.66 1iea n TRP 168 N 2.10 0.10 0.93 3.88 7.02 -1.26 -0.03 117.44 130.18 1iea n TRP 168 Ca -0.15 0.05 0.11 0.00 -1.02 0.00 0.00 57.50 56.48 1iea n TRP 168 Cb 0.56 -0.49 0.03 0.00 -2.42 0.00 0.00 31.31 28.99 1iea n TRP 168 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1iea n GLY 169 N -1.39 0.33 3.80 6.99 0.00 -1.26 -4.83 105.19 108.82 1iea n GLY 169 Ca -0.00 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.18 4.13 0.36 0.99 1.43 0.96 -4.31 118.68 120.06 1iea s LEU 170 Ca 0.21 0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.71 1iea s LEU 170 Cb 0.18 -2.00 0.69 0.00 0.03 0.00 0.00 46.19 45.09 1iea s LEU 170 CO 0.44 0.37 1.92 -0.33 0.23 0.00 0.00 176.35 178.98 1iea h GLU 171 N 5.24 0.48 -2.97 1.70 5.08 -1.92 -3.45 114.58 118.74 1iea h GLU 171 Ca -0.52 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 57.71 1iea h GLU 171 Cb 1.21 -0.08 -0.14 0.00 0.50 0.00 0.00 28.75 30.24 1iea h GLU 171 CO 0.59 0.48 0.09 -1.83 -1.00 0.00 0.00 179.01 177.34 1iea s GLU 172 N -5.05 1.14 0.22 2.33 -1.05 -1.26 -5.13 118.70 109.90 1iea s GLU 172 Ca -0.07 -0.41 -0.29 0.00 -0.15 0.00 0.00 54.97 54.04 1iea s GLU 172 Cb 0.16 0.52 -0.16 0.00 -0.44 0.00 0.00 34.13 34.21 1iea s GLU 172 CO 0.75 -0.46 0.79 -2.30 0.95 0.00 0.00 175.26 175.00 1iea n PRO 173 N -0.03 0.63 -3.54 -4.83 -0.02 -1.26 -4.92 135.00 121.04 1iea n PRO 173 Ca -0.17 0.22 -0.37 0.00 -2.02 0.00 0.00 63.50 61.15 1iea n PRO 173 Cb 0.63 -1.43 -0.06 0.00 -0.02 0.00 0.00 33.50 32.62 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 1.68 4.37 -0.17 2.45 2.96 0.98 -4.91 118.68 126.04 1iea s LEU 174 Ca 0.64 0.74 0.00 0.00 -0.22 0.00 0.00 54.13 55.29 1iea s LEU 174 Cb -0.85 -2.47 0.04 0.00 0.50 0.00 0.00 46.19 43.41 1iea s LEU 174 CO 0.57 0.22 -0.09 -0.60 -1.32 0.00 0.00 176.35 175.14 1iea s ARG 175 N -0.37 1.81 -0.21 1.98 3.52 -1.26 -0.15 118.95 124.26 1iea s ARG 175 Ca 0.21 -0.62 -0.06 0.00 -0.13 0.00 0.00 55.73 55.13 1iea s ARG 175 Cb -0.15 -2.13 -0.03 0.00 -1.56 0.00 0.00 34.95 31.09 1iea s ARG 175 CO 0.09 -0.38 0.03 0.15 -0.81 0.00 0.00 175.30 174.38 1iea s LYS 176 N 1.53 3.67 0.41 5.12 -0.14 -0.21 -4.94 119.74 125.18 1iea s LYS 176 Ca 0.01 -0.49 -0.01 0.00 -1.36 0.00 0.00 55.97 54.12 1iea s LYS 176 Cb -0.15 -3.17 -0.03 0.00 -1.68 0.00 0.00 37.83 32.80 1iea s LYS 176 CO -0.08 -0.02 0.64 -0.08 -0.76 0.00 0.00 175.35 175.04 1iea s THR 177 N 1.13 4.82 -0.28 2.17 -1.32 -1.26 -0.53 115.64 120.38 1iea s THR 177 Ca 0.03 -0.28 -0.16 0.00 -1.21 0.00 0.00 61.69 60.08 1iea s THR 177 Cb -0.14 -3.79 0.08 0.00 -1.51 0.00 0.00 72.50 67.14 1iea s THR 177 CO 0.02 -0.60 0.68 0.86 -2.21 0.00 0.00 174.62 173.37 1iea s TRP 178 N -2.49 -1.04 -0.05 9.09 -0.00 0.16 -4.86 118.94 119.74 1iea s TRP 178 Ca 0.44 2.10 -0.13 0.00 -0.00 0.00 0.00 56.10 58.51 1iea s TRP 178 Cb -0.10 0.61 0.02 0.00 -0.00 0.00 0.00 33.47 34.01 1iea s TRP 178 CO 0.39 -0.52 0.30 -1.83 -0.00 0.00 0.00 176.95 175.29 1iea s GLU 179 N 1.59 0.54 0.26 5.86 -1.05 -1.26 0.68 118.70 125.31 1iea s GLU 179 Ca -0.10 0.03 -0.30 0.00 -0.15 0.00 0.00 54.97 54.45 1iea s GLU 179 Cb -0.05 0.24 -0.10 0.00 -0.44 0.00 0.00 34.13 33.78 1iea s GLU 179 CO -0.19 -0.12 1.46 0.12 0.95 0.00 0.00 175.26 177.48 1iea s PHE 180 N -0.76 2.98 -0.13 4.83 5.36 -1.26 -5.01 117.98 123.99 1iea s PHE 180 Ca -0.08 0.99 -0.00 0.00 -0.96 0.00 0.00 56.93 56.88 1iea s PHE 180 Cb -0.04 -3.86 0.02 0.00 -0.34 0.00 0.00 43.02 38.81 1iea s PHE 180 CO 0.03 -2.80 -0.10 -1.83 -1.46 0.00 0.00 175.22 169.06 1iea s GLU 181 N -0.39 1.80 0.00 10.12 -1.05 -1.26 -4.95 118.70 122.96 1iea s GLU 181 Ca 0.60 -0.38 0.00 0.00 -0.15 0.00 0.00 54.97 55.04 1iea s GLU 181 Cb -0.43 -1.80 0.00 0.00 -0.44 0.00 0.00 34.13 31.47 1iea s GLU 181 CO 0.44 -0.27 0.44 0.39 0.95 0.00 0.00 175.26 177.21