#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ici n PRO -2 N 0.00 1.20 -0.03 1.61 -0.02 -1.26 -4.84 135.00 131.66 3ici n PRO -2 Ca 0.00 0.43 -0.05 0.00 -2.02 0.00 0.00 63.50 61.86 3ici n PRO -2 Cb 0.00 -2.03 0.15 0.00 -0.02 0.00 0.00 33.50 31.60 3ici n PRO -2 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ici h LEU -1 N 4.21 0.61 0.23 2.45 3.38 -2.07 -1.11 115.31 123.00 3ici h LEU -1 Ca -0.46 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.30 3ici h LEU -1 Cb 1.33 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3ici h LEU -1 CO 0.76 0.84 -0.19 1.23 0.09 0.00 0.00 178.44 181.16 3ici h GLY 0 N 1.00 -0.44 2.00 0.83 0.00 -2.04 -3.14 103.07 101.28 3ici h GLY 0 Ca 0.08 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3ici h GLY 0 CO 0.05 -0.19 0.00 -1.14 0.00 0.00 0.00 176.54 175.26 3ici n SER 1 N -5.32 0.60 -0.04 0.19 3.41 -1.16 -3.01 113.62 108.29 3ici n SER 1 Ca -0.08 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 3ici n SER 1 Cb 0.23 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 3ici n SER 1 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ici n ASP 2 N -2.06 0.00 -4.32 4.04 8.00 -0.43 -4.96 116.55 116.81 3ici n ASP 2 Ca 0.06 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.10 3ici n ASP 2 Cb 0.39 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.44 3ici n ASP 2 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3ici s GLU 3 N -1.79 3.01 0.00 -1.24 8.01 -1.16 -5.00 118.70 120.53 3ici s GLU 3 Ca 0.00 -1.65 0.00 0.00 0.01 0.00 0.00 54.97 53.33 3ici s GLU 3 Cb 0.00 -4.30 0.00 0.00 -4.31 0.00 0.00 34.13 25.52 3ici s GLU 3 CO 0.00 -1.37 0.00 1.17 0.01 0.00 0.00 175.26 175.07 3ici n LYS 6 N 5.42 0.00 -0.02 1.61 4.81 -1.26 -5.11 118.16 123.61 3ici n LYS 6 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 3ici n LYS 6 Cb 0.41 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.46 3ici n LYS 6 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ici n GLY 7 N 1.44 1.02 3.76 3.14 0.00 0.22 -4.87 105.19 109.91 3ici n GLY 7 Ca 0.00 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 3ici n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ici s PRO 8 N 1.86 1.95 -0.17 1.61 0.04 -1.26 -4.29 135.00 134.74 3ici s PRO 8 Ca 0.00 0.92 -0.16 0.00 0.04 0.00 0.00 61.00 61.80 3ici s PRO 8 Cb 0.00 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 3ici s PRO 8 CO 0.00 -1.79 0.41 0.15 0.04 0.00 0.00 177.00 175.81 3ici s LYS 9 N -4.98 4.25 -0.05 4.56 1.02 -1.26 -2.17 119.74 121.11 3ici s LYS 9 Ca 0.61 0.28 -0.30 0.00 0.02 0.00 0.00 55.97 56.59 3ici s LYS 9 Cb -0.17 -3.48 -0.05 0.00 -0.52 0.00 0.00 37.83 33.61 3ici s LYS 9 CO 0.56 0.08 1.53 0.08 -0.92 0.00 0.00 175.35 176.67 3ici s VAL 10 N 0.93 3.70 -0.30 3.17 1.01 0.80 -4.24 120.40 125.46 3ici s VAL 10 Ca 0.21 0.93 0.09 0.00 0.00 0.00 0.00 61.98 63.20 3ici s VAL 10 Cb -0.14 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.53 3ici s VAL 10 CO 0.08 -0.06 0.32 0.35 0.00 0.00 0.00 175.10 175.79 3ici n THR 11 N 5.22 0.00 -3.50 3.92 -2.24 -0.36 -2.36 114.28 114.96 3ici n THR 11 Ca 0.16 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 3ici n THR 11 Cb 0.43 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 3ici n THR 11 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ici s VAL 12 N -2.01 0.00 0.18 2.28 0.11 -1.24 -4.33 120.40 115.40 3ici s VAL 12 Ca 0.02 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.15 3ici s VAL 12 Cb 0.06 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 3ici s VAL 12 CO 0.35 0.00 -0.18 -0.54 -3.33 0.00 0.00 175.10 171.41 3ici s LYS 13 N -2.84 1.33 0.02 1.54 1.02 -0.58 -0.82 119.74 119.41 3ici s LYS 13 Ca 0.03 -1.48 0.03 0.00 0.02 0.00 0.00 55.97 54.57 3ici s LYS 13 Cb -0.01 -1.34 -0.02 0.00 -0.52 0.00 0.00 37.83 35.94 3ici s LYS 13 CO -0.07 0.26 -0.09 0.08 -0.92 0.00 0.00 175.35 174.61 3ici s VAL 14 N -2.26 0.72 0.06 3.17 1.01 -0.61 -0.42 120.40 122.07 3ici s VAL 14 Ca 0.18 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.49 3ici s VAL 14 Cb -0.05 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 3ici s VAL 14 CO 0.07 -0.05 -0.14 -0.72 0.00 0.00 0.00 175.10 174.26 3ici s TYR 15 N -0.73 2.65 -0.09 5.22 1.13 -0.46 -0.26 117.35 124.80 3ici s TYR 15 Ca -0.01 -0.20 0.03 0.00 -1.41 0.00 0.00 57.07 55.48 3ici s TYR 15 Cb -0.06 -1.47 0.01 0.00 -1.10 0.00 0.00 41.96 39.33 3ici s TYR 15 CO 0.00 0.32 -0.19 -0.06 -2.51 0.00 0.00 175.55 173.11 3ici s PHE 16 N -1.02 2.17 -0.24 -3.49 0.08 0.10 -2.45 117.98 113.13 3ici s PHE 16 Ca 0.17 -0.89 -0.13 0.00 0.12 0.00 0.00 56.93 56.20 3ici s PHE 16 Cb -0.11 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.81 3ici s PHE 16 CO 0.08 -0.39 0.28 -0.51 -0.10 0.00 0.00 175.22 174.58 3ici s ASP 17 N 0.51 6.22 0.07 1.36 1.01 -0.04 -0.71 116.67 125.08 3ici s ASP 17 Ca -0.16 0.24 0.04 0.00 0.71 0.00 0.00 52.55 53.38 3ici s ASP 17 Cb -0.17 -2.17 -0.04 0.00 1.01 0.00 0.00 42.92 41.55 3ici s ASP 17 CO 0.06 -0.05 -0.01 -0.76 0.21 0.00 0.00 175.17 174.61 3ici s LEU 18 N 1.49 3.41 0.01 1.23 1.43 -0.00 -0.39 118.68 125.85 3ici s LEU 18 Ca 0.12 -0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.11 3ici s LEU 18 Cb -0.15 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 3ici s LEU 18 CO 0.08 0.20 -0.14 -0.13 0.23 0.00 0.00 176.35 176.59 3ici s ARG 19 N -2.08 1.06 -0.24 1.70 0.52 -0.40 -1.25 118.95 118.26 3ici s ARG 19 Ca 0.23 -0.63 0.02 0.00 -0.52 0.00 0.00 55.73 54.83 3ici s ARG 19 Cb -0.12 -1.05 0.05 0.00 0.52 0.00 0.00 34.95 34.35 3ici s ARG 19 CO 0.15 0.28 -0.13 0.42 0.02 0.00 0.00 175.30 176.04 3ici s ILE 20 N -0.58 2.16 0.00 1.52 1.01 0.07 -0.78 121.20 124.61 3ici s ILE 20 Ca 0.04 -1.44 0.00 0.00 0.00 0.00 0.00 60.65 59.25 3ici s ILE 20 Cb -0.07 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.23 3ici s ILE 20 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.68 3ici n GLY 21 N 4.49 3.01 0.67 6.18 0.00 -0.09 -1.58 105.19 117.87 3ici n GLY 21 Ca -0.16 0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.27 3ici n GLY 21 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ici n ASP 22 N 9.06 2.28 -4.63 1.61 2.03 -1.26 -4.92 116.55 120.73 3ici n ASP 22 Ca 0.00 -1.67 -0.37 0.00 0.52 0.00 0.00 54.79 53.28 3ici n ASP 22 Cb 0.00 0.16 -0.10 0.00 -0.72 0.00 0.00 41.12 40.46 3ici n ASP 22 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3ici s GLU 23 N -2.20 4.01 0.09 -0.67 2.12 -0.62 -5.05 118.70 116.38 3ici s GLU 23 Ca 0.26 -0.30 -0.31 0.00 0.36 0.00 0.00 54.97 54.98 3ici s GLU 23 Cb 0.19 -3.54 -0.08 0.00 0.26 0.00 0.00 34.13 30.96 3ici s GLU 23 CO 0.41 -0.01 1.51 -0.51 -0.54 0.00 0.00 175.26 176.12 3ici s ASP 24 N 1.25 6.71 0.00 -1.70 1.01 -1.26 -0.75 116.67 121.93 3ici s ASP 24 Ca 0.07 2.40 0.08 0.00 0.71 0.00 0.00 52.55 55.81 3ici s ASP 24 Cb -0.14 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.16 3ici s ASP 24 CO 0.06 -0.77 0.40 1.33 0.21 0.00 0.00 175.17 176.40 3ici n VAL 25 N 4.29 0.00 0.00 -1.27 0.24 -0.38 -4.93 118.33 116.28 3ici n VAL 25 Ca 0.14 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 3ici n VAL 25 Cb 0.41 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 3ici n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ici n GLY 26 N 1.05 0.70 3.59 7.63 0.00 -1.23 -4.83 105.19 112.10 3ici n GLY 26 Ca 0.02 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.47 3ici n GLY 26 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ici s ARG 27 N -0.78 3.37 -0.12 1.61 6.06 -1.26 -0.82 118.95 127.00 3ici s ARG 27 Ca 0.00 -0.46 -0.02 0.00 -2.50 0.00 0.00 55.73 52.75 3ici s ARG 27 Cb 0.00 -2.88 -0.03 0.00 0.06 0.00 0.00 34.95 32.11 3ici s ARG 27 CO 0.00 0.46 -0.05 0.08 -2.50 0.00 0.00 175.30 173.30 3ici s VAL 28 N -0.22 3.86 -0.11 7.11 1.01 0.11 -4.10 120.40 128.05 3ici s VAL 28 Ca 0.05 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3ici s VAL 28 Cb -0.13 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.61 3ici s VAL 28 CO 0.02 0.54 -0.22 -0.63 0.00 0.00 0.00 175.10 174.82 3ici s ILE 29 N -0.17 2.22 -0.04 2.22 1.01 -0.37 -0.72 121.20 125.35 3ici s ILE 29 Ca 0.03 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.73 3ici s ILE 29 Cb -0.13 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 3ici s ILE 29 CO 0.02 0.55 -0.03 -0.36 0.00 0.00 0.00 174.94 175.13 3ici s PHE 30 N 0.46 3.03 -0.16 3.97 0.08 0.64 0.08 117.98 126.08 3ici s PHE 30 Ca -0.15 0.08 -0.06 0.00 0.12 0.00 0.00 56.93 56.91 3ici s PHE 30 Cb -0.17 -1.70 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 3ici s PHE 30 CO 0.06 0.42 0.06 0.20 -0.10 0.00 0.00 175.22 175.85 3ici s GLY 31 N -1.17 1.92 0.05 4.36 0.00 -0.08 -1.57 107.32 110.83 3ici s GLY 31 Ca 0.16 -0.74 0.06 0.00 0.00 0.00 0.00 44.72 44.19 3ici s GLY 31 CO 0.05 -0.10 -0.12 1.08 0.00 0.00 0.00 173.10 174.01 3ici s LEU 32 N -0.01 2.90 -1.11 0.66 2.01 0.00 -1.31 118.68 121.83 3ici s LEU 32 Ca 0.06 -0.33 -0.06 0.00 0.01 0.00 0.00 54.13 53.80 3ici s LEU 32 Cb -0.12 -1.69 0.29 0.00 0.01 0.00 0.00 46.19 44.67 3ici s LEU 32 CO 0.01 0.24 1.35 0.49 1.01 0.00 0.00 176.35 179.45 3ici n PHE 33 N 1.31 3.58 0.25 0.29 3.72 -0.66 -1.22 117.46 124.73 3ici n PHE 33 Ca -0.15 -3.15 0.14 0.00 -0.05 0.00 0.00 57.45 54.24 3ici n PHE 33 Cb 0.52 -1.48 0.39 0.00 -0.94 0.00 0.00 39.48 37.97 3ici n PHE 33 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3ici h GLY 34 N 6.09 0.00 2.00 1.37 0.00 -1.84 -0.89 103.07 109.80 3ici h GLY 34 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.43 3ici h GLY 34 CO 1.21 0.00 -0.46 0.50 0.00 0.00 0.00 176.54 177.80 3ici h LYS 35 N 0.00 0.00 0.02 4.80 1.57 -1.89 -3.08 116.57 117.99 3ici h LYS 35 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 3ici h LYS 35 Cb 0.79 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.05 3ici h LYS 35 CO 0.00 0.46 -1.88 2.41 -0.57 0.00 0.00 179.45 179.86 3ici n THR 36 N -3.41 1.57 -3.28 -0.16 -1.04 -0.78 -4.71 114.28 102.47 3ici n THR 36 Ca 0.01 -0.28 -0.25 0.00 -2.04 0.00 0.00 64.05 61.49 3ici n THR 36 Cb 0.61 -1.89 -0.07 0.00 -1.82 0.00 0.00 70.33 67.16 3ici n THR 36 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3ici n VAL 37 N -4.13 0.69 -0.30 12.58 0.24 -0.41 -4.92 118.33 122.08 3ici n VAL 37 Ca -0.40 -4.58 0.01 0.00 -2.04 0.00 0.00 64.34 57.33 3ici n VAL 37 Cb 0.83 -1.93 0.20 0.00 -1.47 0.00 0.00 33.84 31.47 3ici n VAL 37 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3ici h PRO 38 N 4.00 1.09 -0.29 7.34 0.13 -1.73 -0.37 132.00 142.16 3ici h PRO 38 Ca 0.13 -0.07 -0.18 0.00 -0.87 0.00 0.00 66.00 65.01 3ici h PRO 38 Cb 0.78 -0.25 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 3ici h PRO 38 CO 0.63 0.72 -0.52 0.87 -0.23 0.00 0.00 178.00 179.47 3ici h LYS 39 N 1.12 0.83 -0.19 0.86 1.57 -1.94 0.22 116.57 119.05 3ici h LYS 39 Ca 0.36 -0.51 -0.09 0.00 -1.87 0.00 0.00 60.65 58.53 3ici h LYS 39 Cb 0.02 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3ici h LYS 39 CO -0.11 1.14 -0.25 1.15 -0.57 0.00 0.00 179.45 180.82 3ici h THR 40 N 0.65 1.34 -0.21 -0.16 2.02 -1.91 -2.45 112.91 112.18 3ici h THR 40 Ca 0.02 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.76 3ici h THR 40 Cb 1.12 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 69.36 3ici h THR 40 CO 0.11 0.44 0.14 0.58 0.37 0.00 0.00 175.52 177.16 3ici h VAL 41 N 0.15 1.05 -0.62 3.16 2.07 -1.00 -2.08 116.25 118.98 3ici h VAL 41 Ca 0.02 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.47 3ici h VAL 41 Cb 0.81 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3ici h VAL 41 CO 0.06 0.05 0.41 0.44 0.02 0.00 0.00 177.57 178.55 3ici h ASP 42 N 0.28 0.65 0.34 0.57 3.32 -0.93 0.40 116.42 121.05 3ici h ASP 42 Ca 0.08 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3ici h ASP 42 Cb -0.03 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3ici h ASP 42 CO -0.02 0.45 -0.16 -1.13 -1.72 0.00 0.00 179.24 176.66 3ici h ASN 43 N 0.75 -0.38 -0.57 6.45 -1.24 -1.29 -1.06 115.58 118.24 3ici h ASN 43 Ca 0.25 -0.06 0.01 0.00 0.71 0.00 0.00 56.30 57.21 3ici h ASN 43 Cb 0.05 0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.17 3ici h ASN 43 CO -0.06 -0.18 0.36 0.15 -1.29 0.00 0.00 177.43 176.41 3ici h PHE 44 N -0.57 0.68 -0.48 0.67 3.57 -0.80 -1.59 116.94 118.43 3ici h PHE 44 Ca -0.05 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.38 3ici h PHE 44 Cb 0.42 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3ici h PHE 44 CO -0.02 0.42 -0.05 0.28 -2.23 0.00 0.00 178.31 176.70 3ici h VAL 45 N 0.73 1.27 -0.69 1.41 2.07 -0.94 -0.78 116.25 119.32 3ici h VAL 45 Ca 0.22 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 3ici h VAL 45 Cb -0.04 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3ici h VAL 45 CO -0.07 0.40 0.25 0.00 0.02 0.00 0.00 177.57 178.17 3ici h ALA 46 N 0.90 1.14 -0.09 1.67 0.00 -1.03 0.60 119.26 122.44 3ici h ALA 46 Ca 0.13 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3ici h ALA 46 Cb 0.58 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3ici h ALA 46 CO 0.04 0.61 -0.48 -0.07 0.00 0.00 0.00 179.25 179.34 3ici h LEU 47 N 1.01 0.26 -0.38 0.00 3.38 -0.99 -0.25 115.31 118.34 3ici h LEU 47 Ca 0.23 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3ici h LEU 47 Cb 0.24 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3ici h LEU 47 CO -0.01 0.70 -0.26 0.00 0.09 0.00 0.00 178.44 178.95 3ici h ALA 48 N 1.31 0.54 0.00 1.53 0.00 -0.50 -0.76 119.26 121.38 3ici h ALA 48 Ca 0.01 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 3ici h ALA 48 Cb 0.92 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3ici h ALA 48 CO 0.07 0.55 -0.33 1.79 0.00 0.00 0.00 179.25 181.34 3ici h THR 49 N 0.65 0.76 -0.12 0.00 1.35 -0.73 -3.18 112.91 111.64 3ici h THR 49 Ca 0.07 -1.45 -0.05 0.00 -0.55 0.00 0.00 66.41 64.44 3ici h THR 49 Cb 0.84 1.92 -0.02 0.00 -1.73 0.00 0.00 68.15 69.16 3ici h THR 49 CO 0.07 0.33 -0.05 0.61 -0.25 0.00 0.00 175.52 176.23 3ici n GLY 50 N 0.31 0.58 0.30 5.82 0.00 -0.12 -4.93 105.19 107.14 3ici n GLY 50 Ca 0.00 -0.53 0.20 0.00 0.00 0.00 0.00 46.02 45.69 3ici n GLY 50 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3ici h GLU 51 N 0.32 0.00 -0.11 1.61 4.11 -1.75 -0.89 114.58 117.87 3ici h GLU 51 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 3ici h GLU 51 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3ici h GLU 51 CO 0.07 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.78 3ici n LYS 52 N -2.97 1.56 -0.42 1.06 4.76 -1.26 -4.91 118.16 115.99 3ici n LYS 52 Ca -0.02 -0.84 0.00 0.00 -2.87 0.00 0.00 58.31 54.58 3ici n LYS 52 Cb 0.14 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 3ici n LYS 52 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ici n GLY 53 N 1.07 0.74 3.42 0.72 0.00 -0.34 -5.04 105.19 105.75 3ici n GLY 53 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 3ici n GLY 53 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ici s PHE 54 N -2.58 0.12 -5.00 1.61 -0.71 -1.25 -5.12 117.98 105.05 3ici s PHE 54 Ca 0.00 -0.48 0.00 0.00 -1.04 0.00 0.00 56.93 55.41 3ici s PHE 54 Cb 0.00 0.16 0.00 0.00 -1.21 0.00 0.00 43.02 41.97 3ici s PHE 54 CO 0.00 -0.80 0.00 0.41 -1.34 0.00 0.00 175.22 173.49 3ici n GLY 55 N -0.27 -0.32 0.16 1.99 0.00 -1.26 -4.35 105.19 101.15 3ici n GLY 55 Ca -0.09 -1.11 0.03 0.00 0.00 0.00 0.00 46.02 44.84 3ici n GLY 55 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ici h TYR 56 N 0.00 0.00 -2.62 1.61 0.05 -1.44 -3.45 116.97 111.13 3ici h TYR 56 Ca 0.00 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 58.20 3ici h TYR 56 Cb 0.00 0.00 0.08 0.00 1.01 0.00 0.00 36.73 37.82 3ici h TYR 56 CO 0.00 0.50 0.66 1.17 -1.05 0.00 0.00 178.16 179.44 3ici n LYS 57 N -3.46 2.08 -0.58 4.88 4.81 -1.26 -0.70 118.16 123.92 3ici n LYS 57 Ca 0.00 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 3ici n LYS 57 Cb 0.62 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 33.25 3ici n LYS 57 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3ici n ASN 58 N 2.39 0.00 -4.85 3.14 3.02 0.21 -5.01 115.26 114.16 3ici n ASN 58 Ca 0.12 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.38 3ici n ASN 58 Cb 0.31 -0.59 0.07 0.00 -0.61 0.00 0.00 39.78 38.96 3ici n ASN 58 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3ici s SER 59 N -2.96 4.84 0.20 6.41 0.01 0.12 -4.71 113.70 117.61 3ici s SER 59 Ca 0.00 1.11 0.08 0.00 1.31 0.00 0.00 55.95 58.45 3ici s SER 59 Cb 0.00 -1.82 -0.04 0.00 0.21 0.00 0.00 66.02 64.37 3ici s SER 59 CO 0.00 -1.73 -0.02 -0.54 0.41 0.00 0.00 173.24 171.36 3ici s LYS 60 N -5.33 2.29 -0.75 12.44 1.02 -1.26 -1.16 119.74 126.99 3ici s LYS 60 Ca 0.60 -1.23 -0.24 0.00 0.02 0.00 0.00 55.97 55.12 3ici s LYS 60 Cb -0.12 -2.25 0.06 0.00 -0.52 0.00 0.00 37.83 34.99 3ici s LYS 60 CO 0.52 0.42 1.15 -0.06 -0.92 0.00 0.00 175.35 176.47 3ici s PHE 61 N -1.89 2.53 -1.14 3.18 0.40 -0.08 -3.95 117.98 117.04 3ici s PHE 61 Ca 0.28 -0.44 0.26 0.00 -0.60 0.00 0.00 56.93 56.43 3ici s PHE 61 Cb -0.08 -4.47 0.67 0.00 0.51 0.00 0.00 43.02 39.65 3ici s PHE 61 CO 0.18 -1.84 1.52 -2.39 0.70 0.00 0.00 175.22 173.39 3ici n HIS 62 N 8.41 0.00 -3.77 0.36 1.44 -0.87 -4.49 115.22 116.29 3ici n HIS 62 Ca 0.05 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.61 3ici n HIS 62 Cb 0.48 -0.26 -0.15 0.00 0.12 0.00 0.00 29.99 30.18 3ici n HIS 62 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 3ici s ARG 63 N -2.90 0.02 -0.06 -1.40 6.06 -1.20 -4.20 118.95 115.27 3ici s ARG 63 Ca 0.14 0.24 0.00 0.00 -2.50 0.00 0.00 55.73 53.61 3ici s ARG 63 Cb 0.18 -0.19 0.02 0.00 0.06 0.00 0.00 34.95 35.03 3ici s ARG 63 CO 0.64 -0.15 -0.03 0.08 -2.50 0.00 0.00 175.30 173.35 3ici s VAL 64 N 0.96 0.52 -0.25 7.11 1.01 -0.47 -0.73 120.40 128.55 3ici s VAL 64 Ca -0.08 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3ici s VAL 64 Cb -0.11 -0.59 0.07 0.00 0.00 0.00 0.00 36.38 35.75 3ici s VAL 64 CO -0.04 0.25 -0.03 -0.63 0.00 0.00 0.00 175.10 174.65 3ici s ILE 65 N 1.38 1.56 0.28 2.22 1.01 -0.02 -4.79 121.20 122.83 3ici s ILE 65 Ca -0.04 -1.36 -0.29 0.00 0.00 0.00 0.00 60.65 58.95 3ici s ILE 65 Cb -0.13 -1.89 -0.13 0.00 0.01 0.00 0.00 42.46 40.32 3ici s ILE 65 CO -0.03 -0.21 1.25 1.17 0.00 0.00 0.00 174.94 177.13 3ici n LYS 66 N 4.64 1.83 -1.88 2.79 4.81 -1.26 -1.34 118.16 127.76 3ici n LYS 66 Ca -0.09 0.65 -0.16 0.00 -0.87 0.00 0.00 58.31 57.84 3ici n LYS 66 Cb 0.44 -2.19 -0.04 0.00 0.02 0.00 0.00 35.03 33.25 3ici n LYS 66 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ici n ASP 67 N 1.41 -4.78 0.00 3.14 8.00 -1.26 -4.79 116.55 118.28 3ici n ASP 67 Ca 0.09 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.77 3ici n ASP 67 Cb 0.33 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.65 3ici n ASP 67 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3ici n PHE 68 N -3.28 -0.04 -3.73 1.24 7.35 -0.45 -4.71 117.46 113.85 3ici n PHE 68 Ca -0.17 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.48 3ici n PHE 68 Cb 0.58 0.17 -0.01 0.00 0.35 0.00 0.00 39.48 40.56 3ici n PHE 68 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ici s MET 69 N -0.33 1.19 0.04 -4.13 0.23 -0.59 -0.85 119.30 114.86 3ici s MET 69 Ca 0.00 -0.64 0.08 0.00 -1.03 0.00 0.00 55.69 54.10 3ici s MET 69 Cb 0.00 0.42 -0.03 0.00 -1.53 0.00 0.00 34.83 33.69 3ici s MET 69 CO 0.00 -0.54 -0.24 0.96 -2.03 0.00 0.00 175.02 173.17 3ici s ILE 70 N -3.32 1.91 -0.01 3.16 -4.36 -0.77 -0.84 121.20 116.97 3ici s ILE 70 Ca 0.11 -1.27 0.02 0.00 -0.26 0.00 0.00 60.65 59.26 3ici s ILE 70 Cb -0.02 -1.64 -0.00 0.00 1.25 0.00 0.00 42.46 42.05 3ici s ILE 70 CO 0.01 0.32 -0.08 -1.58 0.24 0.00 0.00 174.94 173.85 3ici s GLN 71 N -1.14 0.74 0.00 0.37 0.74 0.09 -0.67 119.66 119.79 3ici s GLN 71 Ca 0.10 -0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.24 3ici s GLN 71 Cb -0.09 -0.71 0.00 0.00 1.10 0.00 0.00 33.01 33.31 3ici s GLN 71 CO 0.02 0.13 0.00 0.41 -0.55 0.00 0.00 175.29 175.30 3ici n GLY 72 N 3.10 3.99 1.66 2.59 0.00 -0.44 -2.05 105.19 114.04 3ici n GLY 72 Ca -0.16 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3ici n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ici n GLY 73 N 0.00 0.65 3.41 -0.02 0.00 -1.25 -1.98 105.19 106.00 3ici n GLY 73 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3ici n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ici s ASP 74 N -2.14 6.76 0.00 1.61 -1.08 -1.26 -3.82 116.67 116.73 3ici s ASP 74 Ca 0.00 -2.44 0.24 0.00 -0.52 0.00 0.00 52.55 49.84 3ici s ASP 74 Cb 0.00 -2.33 1.03 0.00 -1.46 0.00 0.00 42.92 40.16 3ici s ASP 74 CO 0.00 -0.83 1.71 2.22 0.52 0.00 0.00 175.17 178.79 3ici n PHE 75 N 5.41 0.08 -0.03 -5.34 1.16 -1.26 -1.65 117.46 115.84 3ici n PHE 75 Ca 0.22 -0.04 0.01 0.00 -1.87 0.00 0.00 57.45 55.76 3ici n PHE 75 Cb 0.47 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.25 3ici n PHE 75 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 3ici n THR 76 N 0.00 0.35 0.00 1.97 -2.24 -1.26 -4.82 114.28 108.28 3ici n THR 76 Ca 0.18 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3ici n THR 76 Cb 0.29 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3ici n THR 76 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ici n ARG 77 N -2.14 3.73 -2.08 -0.78 5.12 -1.25 -4.94 116.66 114.32 3ici n ARG 77 Ca -0.09 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.62 3ici n ARG 77 Cb 0.56 -0.69 -0.04 0.00 -1.16 0.00 0.00 32.46 31.13 3ici n ARG 77 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ici n GLY 78 N 0.94 0.47 0.00 -0.13 0.00 -0.66 -4.80 105.19 101.01 3ici n GLY 78 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3ici n GLY 78 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ici n ASP 79 N -1.70 0.00 0.00 1.61 5.75 -1.26 -4.72 116.55 116.23 3ici n ASP 79 Ca -0.23 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.55 3ici n ASP 79 Cb 0.68 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 3ici n ASP 79 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ici n GLY 80 N 0.00 0.32 0.31 6.12 0.00 -1.26 -4.94 105.19 105.74 3ici n GLY 80 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3ici n GLY 80 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ici n THR 81 N -1.80 0.00 -2.32 2.61 -2.24 -1.26 -5.02 114.28 104.25 3ici n THR 81 Ca 0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3ici n THR 81 Cb 0.00 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 3ici n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ici n GLY 82 N 1.45 5.85 0.00 3.38 0.00 -1.26 -5.00 105.19 109.61 3ici n GLY 82 Ca 0.07 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.19 3ici n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ici n GLY 83 N 5.00 -1.21 3.36 -0.02 0.00 -1.26 -4.79 105.19 106.28 3ici n GLY 83 Ca 0.00 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 3ici n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ici s LYS 84 N -2.46 1.08 0.75 1.61 -2.85 -1.26 -4.76 119.74 111.84 3ici s LYS 84 Ca 0.00 -0.45 -0.03 0.00 -1.00 0.00 0.00 55.97 54.49 3ici s LYS 84 Cb 0.00 0.49 0.13 0.00 -2.06 0.00 0.00 37.83 36.39 3ici s LYS 84 CO 0.00 -0.42 1.03 -1.54 0.10 0.00 0.00 175.35 174.53 3ici s SER 85 N -2.40 4.21 0.00 0.03 1.04 -0.55 -3.77 113.70 112.26 3ici s SER 85 Ca -0.01 -0.25 0.28 0.00 0.48 0.00 0.00 55.95 56.45 3ici s SER 85 Cb 0.00 -0.10 1.35 0.00 0.10 0.00 0.00 66.02 67.36 3ici s SER 85 CO -0.07 -1.96 1.96 2.30 0.98 0.00 0.00 173.24 176.44 3ici n ILE 86 N -2.95 0.07 0.89 -1.02 -5.35 -1.26 -3.33 119.36 106.40 3ici n ILE 86 Ca 0.15 0.02 0.10 0.00 -0.27 0.00 0.00 62.75 62.74 3ici n ILE 86 Cb 0.60 -0.54 0.02 0.00 -1.74 0.00 0.00 39.64 37.98 3ici n ILE 86 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3ici n TYR 87 N -1.38 0.00 0.00 4.28 4.01 -1.26 -5.08 117.16 117.74 3ici n TYR 87 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 3ici n TYR 87 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 3ici n TYR 87 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ici n GLY 88 N 1.29 0.89 0.17 2.72 0.00 -1.21 -4.93 105.19 104.12 3ici n GLY 88 Ca 0.09 -2.00 -0.05 0.00 0.00 0.00 0.00 46.02 44.05 3ici n GLY 88 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ici h GLU 89 N 7.67 -0.02 -4.50 1.61 4.39 -1.95 -1.46 114.58 120.33 3ici h GLU 89 Ca 0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 3ici h GLU 89 Cb 0.00 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.50 3ici h GLU 89 CO 0.00 -0.01 -0.64 1.03 -1.16 0.00 0.00 179.01 178.23 3ici s ARG 90 N -6.21 1.01 0.06 2.33 1.81 -1.26 -2.79 118.95 113.91 3ici s ARG 90 Ca -0.14 -1.50 -0.05 0.00 -1.72 0.00 0.00 55.73 52.32 3ici s ARG 90 Cb 0.14 0.20 -0.02 0.00 -0.45 0.00 0.00 34.95 34.82 3ici s ARG 90 CO 0.70 -0.28 0.10 -0.59 -0.68 0.00 0.00 175.30 174.55 3ici s PHE 91 N -4.03 0.28 0.78 -0.53 -0.71 0.95 -4.91 117.98 109.80 3ici s PHE 91 Ca 0.28 -0.71 -0.11 0.00 -1.04 0.00 0.00 56.93 55.35 3ici s PHE 91 Cb 0.07 -0.18 0.06 0.00 -1.21 0.00 0.00 43.02 41.76 3ici s PHE 91 CO 0.04 -0.44 1.11 -2.14 -1.34 0.00 0.00 175.22 172.45 3ici s PRO 92 N -3.53 2.11 -0.08 1.99 0.02 -1.26 -1.87 135.00 132.38 3ici s PRO 92 Ca 0.03 1.29 -0.29 0.00 0.02 0.00 0.00 61.00 62.04 3ici s PRO 92 Cb 0.04 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.62 3ici s PRO 92 CO -0.09 -1.77 1.96 -0.51 -0.33 0.00 0.00 177.00 176.26 3ici s ASP 93 N -3.11 6.18 0.00 2.53 1.01 -1.26 -4.83 116.67 117.19 3ici s ASP 93 Ca 0.63 2.26 -0.24 0.00 0.71 0.00 0.00 52.55 55.91 3ici s ASP 93 Cb -0.19 -2.53 -0.15 0.00 1.01 0.00 0.00 42.92 41.06 3ici s ASP 93 CO 0.54 -1.32 1.13 -0.08 0.21 0.00 0.00 175.17 175.65 3ici h GLU 94 N 11.75 -0.53 -2.50 8.23 4.81 -2.00 -3.48 114.58 130.86 3ici h GLU 94 Ca -0.44 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 58.97 3ici h GLU 94 Cb 1.22 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.66 3ici h GLU 94 CO 0.96 -0.21 0.45 0.54 -0.73 0.00 0.00 179.01 180.02 3ici s ASN 95 N -4.94 -0.14 -0.27 1.04 2.20 -1.26 -5.04 114.94 106.53 3ici s ASN 95 Ca -0.14 -0.54 0.08 0.00 -0.94 0.00 0.00 52.86 51.33 3ici s ASN 95 Cb 0.02 0.55 0.45 0.00 -2.00 0.00 0.00 41.25 40.26 3ici s ASN 95 CO 0.49 -1.04 1.23 0.49 -2.94 0.00 0.00 177.10 175.33 3ici n PHE 96 N -0.51 1.70 -0.24 1.54 3.72 -1.26 -4.69 117.46 117.71 3ici n PHE 96 Ca -0.05 -1.95 0.04 0.00 -0.05 0.00 0.00 57.45 55.43 3ici n PHE 96 Cb 0.60 -0.34 0.28 0.00 -0.94 0.00 0.00 39.48 39.09 3ici n PHE 96 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3ici h LYS 97 N 1.70 0.90 -5.78 -1.08 1.57 -1.94 -3.43 116.57 108.52 3ici h LYS 97 Ca 0.23 -0.05 -0.65 0.00 -1.87 0.00 0.00 60.65 58.31 3ici h LYS 97 Cb 1.33 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 33.38 3ici h LYS 97 CO 0.49 0.60 -0.46 -0.51 -0.57 0.00 0.00 179.45 178.99 3ici s LEU 98 N -9.86 4.38 0.40 2.94 1.43 -1.26 -5.11 118.68 111.60 3ici s LEU 98 Ca -0.11 0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.50 3ici s LEU 98 Cb 0.19 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 3ici s LEU 98 CO 0.79 0.31 0.37 -0.54 0.23 0.00 0.00 176.35 177.51 3ici s LYS 99 N -1.61 2.60 -1.23 1.70 1.02 -1.26 -4.40 119.74 116.56 3ici s LYS 99 Ca 0.23 -1.46 -0.16 0.00 0.02 0.00 0.00 55.97 54.60 3ici s LYS 99 Cb -0.13 -2.43 0.12 0.00 -0.52 0.00 0.00 37.83 34.88 3ici s LYS 99 CO 0.14 -0.13 1.56 -1.01 -0.92 0.00 0.00 175.35 174.98 3ici s HIS 100 N -2.43 3.14 0.19 3.18 3.76 -1.26 -4.84 115.29 117.03 3ici s HIS 100 Ca 0.47 -1.84 0.26 0.00 -0.15 0.00 0.00 55.06 53.80 3ici s HIS 100 Cb -0.04 -4.52 1.08 0.00 1.11 0.00 0.00 32.58 30.20 3ici s HIS 100 CO 0.28 -1.60 1.89 1.88 -0.85 0.00 0.00 174.74 176.34 3ici h TYR 101 N 7.50 0.00 0.00 1.40 0.05 -1.91 -3.23 116.97 120.78 3ici h TYR 101 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.14 3ici h TYR 101 Cb 0.88 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.62 3ici h TYR 101 CO 1.25 0.18 0.00 0.41 -1.05 0.00 0.00 178.16 178.96 3ici n GLY 102 N -0.03 -0.57 3.77 3.88 0.00 -1.25 -4.71 105.19 106.28 3ici n GLY 102 Ca -0.00 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 3ici n GLY 102 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ici s PRO 103 N -0.37 3.86 0.00 1.61 0.02 -1.24 -3.61 135.00 135.27 3ici s PRO 103 Ca 0.00 1.93 0.00 0.00 0.02 0.00 0.00 61.00 62.95 3ici s PRO 103 Cb 0.00 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.95 3ici s PRO 103 CO 0.00 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 3ici n GLY 104 N 0.59 0.83 3.84 0.52 0.00 0.32 -4.94 105.19 106.34 3ici n GLY 104 Ca 0.06 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3ici n GLY 104 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ici s TRP 105 N -2.00 3.66 -0.12 1.61 0.52 -1.24 -0.07 118.94 121.30 3ici s TRP 105 Ca 0.00 1.07 -0.01 0.00 0.02 0.00 0.00 56.10 57.18 3ici s TRP 105 Cb 0.00 -2.37 -0.02 0.00 -1.15 0.00 0.00 33.47 29.93 3ici s TRP 105 CO 0.00 0.49 -0.09 0.08 0.02 0.00 0.00 176.95 177.45 3ici s VAL 106 N -1.35 3.48 0.03 4.03 1.01 0.14 -0.64 120.40 127.10 3ici s VAL 106 Ca 0.34 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 3ici s VAL 106 Cb -0.16 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.75 3ici s VAL 106 CO 0.18 0.53 0.19 -0.55 0.00 0.00 0.00 175.10 175.46 3ici s SER 107 N 0.03 0.02 -0.01 3.32 0.15 -0.46 -1.45 113.70 115.30 3ici s SER 107 Ca -0.02 -0.31 -0.28 0.00 0.70 0.00 0.00 55.95 56.03 3ici s SER 107 Cb -0.14 0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 64.42 3ici s SER 107 CO 0.03 -0.52 0.91 -0.04 1.20 0.00 0.00 173.24 174.82 3ici s MET 108 N -2.31 4.53 0.63 5.44 -1.94 -0.41 -0.21 119.30 125.03 3ici s MET 108 Ca -0.07 1.28 -0.15 0.00 -1.71 0.00 0.00 55.69 55.04 3ici s MET 108 Cb -0.02 -3.45 -0.02 0.00 2.01 0.00 0.00 34.83 33.35 3ici s MET 108 CO -0.03 -0.01 1.08 0.00 -0.01 0.00 0.00 175.02 176.06 3ici s ALA 109 N 0.91 2.61 0.30 3.03 0.00 -0.58 -4.31 121.76 123.72 3ici s ALA 109 Ca 0.48 0.44 -0.13 0.00 0.00 0.00 0.00 51.96 52.75 3ici s ALA 109 Cb -0.20 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.66 3ici s ALA 109 CO 0.26 -1.05 0.59 0.54 0.00 0.00 0.00 175.76 176.09 3ici s ASN 110 N -2.76 0.05 -0.30 0.00 6.03 -1.26 -4.47 114.94 112.23 3ici s ASN 110 Ca 0.65 -0.99 0.11 0.00 -1.03 0.00 0.00 52.86 51.60 3ici s ASN 110 Cb -0.18 0.68 0.47 0.00 -3.03 0.00 0.00 41.25 39.19 3ici s ASN 110 CO 0.40 -1.31 1.16 0.00 -2.03 0.00 0.00 177.10 175.32 3ici n ALA 111 N -0.46 4.41 0.00 3.54 0.00 -1.26 -5.08 120.51 121.67 3ici n ALA 111 Ca -0.03 -3.57 0.00 0.00 0.00 0.00 0.00 53.44 49.84 3ici n ALA 111 Cb 0.61 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3ici n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ici n GLY 112 N -0.65 0.79 3.73 0.00 0.00 -1.26 -4.97 105.19 102.84 3ici n GLY 112 Ca 0.34 -2.32 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 3ici n GLY 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ici n LYS 113 N -0.88 2.52 -3.58 1.61 4.81 -1.26 -3.23 118.16 118.15 3ici n LYS 113 Ca 0.00 0.89 -0.23 0.00 -0.87 0.00 0.00 58.31 58.11 3ici n LYS 113 Cb 0.00 -2.63 0.08 0.00 0.02 0.00 0.00 35.03 32.50 3ici n LYS 113 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ici n ASP 114 N 1.78 -4.94 -2.55 3.14 8.00 -1.26 -4.94 116.55 115.78 3ici n ASP 114 Ca 0.08 -0.59 -0.14 0.00 0.71 0.00 0.00 54.79 54.85 3ici n ASP 114 Cb 0.36 -4.94 0.03 0.00 -0.02 0.00 0.00 41.12 36.55 3ici n ASP 114 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3ici n THR 115 N -4.73 1.66 -2.60 -3.53 -2.24 -1.20 -4.43 114.28 97.21 3ici n THR 115 Ca -0.08 -3.66 -0.41 0.00 -2.27 0.00 0.00 64.05 57.63 3ici n THR 115 Cb 0.59 0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 3ici n THR 115 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3ici s ASN 116 N -3.48 7.39 0.00 3.42 0.01 -0.78 -4.27 114.94 117.22 3ici s ASN 116 Ca 0.36 2.02 0.00 0.00 -0.71 0.00 0.00 52.86 54.53 3ici s ASN 116 Cb 0.40 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.46 3ici s ASN 116 CO -0.03 -0.11 0.00 0.61 -1.51 0.00 0.00 177.10 176.06 3ici n GLY 117 N 1.88 1.75 0.00 0.66 0.00 -1.26 -0.04 105.19 108.19 3ici n GLY 117 Ca 0.01 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.99 3ici n GLY 117 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ici n SER 118 N 0.00 3.22 -4.76 1.61 3.41 -1.25 -4.06 113.62 111.79 3ici n SER 118 Ca 0.00 -0.03 -0.41 0.00 -0.26 0.00 0.00 58.87 58.18 3ici n SER 118 Cb 0.00 1.32 -0.04 0.00 -0.26 0.00 0.00 64.21 65.23 3ici n SER 118 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ici s GLN 119 N -2.47 4.55 0.13 4.33 -0.21 -1.25 -4.61 119.66 120.13 3ici s GLN 119 Ca -0.02 1.92 -0.02 0.00 0.02 0.00 0.00 55.36 57.25 3ici s GLN 119 Cb 0.05 -3.17 -0.04 0.00 1.00 0.00 0.00 33.01 30.85 3ici s GLN 119 CO 0.30 0.07 0.08 -0.59 -2.12 0.00 0.00 175.29 173.03 3ici s PHE 120 N -0.99 0.80 0.05 0.91 -0.12 -0.84 -1.53 117.98 116.26 3ici s PHE 120 Ca 0.47 -1.18 0.02 0.00 -0.05 0.00 0.00 56.93 56.19 3ici s PHE 120 Cb -0.34 -0.43 -0.03 0.00 -0.63 0.00 0.00 43.02 41.59 3ici s PHE 120 CO 0.43 -0.54 -0.08 -0.59 -0.05 0.00 0.00 175.22 174.40 3ici s PHE 121 N -4.03 0.72 -0.21 3.49 -0.71 0.71 -1.33 117.98 116.61 3ici s PHE 121 Ca 0.23 -0.58 -0.03 0.00 -1.04 0.00 0.00 56.93 55.51 3ici s PHE 121 Cb 0.07 -0.43 0.00 0.00 -1.21 0.00 0.00 43.02 41.45 3ici s PHE 121 CO 0.01 -0.09 -0.08 0.42 -1.34 0.00 0.00 175.22 174.14 3ici s ILE 122 N -1.80 3.06 0.47 -4.49 1.01 0.15 -1.35 121.20 118.25 3ici s ILE 122 Ca -0.06 -0.62 -0.22 0.00 0.00 0.00 0.00 60.65 59.76 3ici s ILE 122 Cb -0.07 -2.38 -0.08 0.00 0.01 0.00 0.00 42.46 39.94 3ici s ILE 122 CO -0.01 0.43 1.09 0.42 0.00 0.00 0.00 174.94 176.88 3ici s THR 123 N 1.43 3.48 -0.30 2.92 -4.23 0.19 -1.84 115.64 117.29 3ici s THR 123 Ca 0.05 1.01 0.02 0.00 -1.18 0.00 0.00 61.69 61.60 3ici s THR 123 Cb -0.14 -3.46 0.02 0.00 1.34 0.00 0.00 72.50 70.26 3ici s THR 123 CO -0.06 -0.11 0.60 0.35 -0.54 0.00 0.00 174.62 174.87 3ici n THR 124 N -0.72 0.05 -4.16 3.99 -2.24 -0.03 -0.53 114.28 110.65 3ici n THR 124 Ca 0.08 -0.53 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 3ici n THR 124 Cb 0.50 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.68 3ici n THR 124 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3ici s VAL 125 N -0.25 0.00 0.10 2.28 -7.23 -1.23 -4.64 120.40 109.43 3ici s VAL 125 Ca 0.03 -1.83 -0.31 0.00 -1.81 0.00 0.00 61.98 58.06 3ici s VAL 125 Cb 0.02 -2.45 -0.09 0.00 0.56 0.00 0.00 36.38 34.42 3ici s VAL 125 CO 0.03 0.00 1.59 -0.75 -0.31 0.00 0.00 175.10 175.66 3ici s LYS 126 N -3.92 4.22 -0.57 4.82 2.20 -1.26 -3.71 119.74 121.52 3ici s LYS 126 Ca 0.35 2.30 0.06 0.00 -0.36 0.00 0.00 55.97 58.32 3ici s LYS 126 Cb 0.04 -3.42 0.30 0.00 -1.51 0.00 0.00 37.83 33.24 3ici s LYS 126 CO 0.14 -0.66 0.82 0.25 -0.36 0.00 0.00 175.35 175.55 3ici n THR 127 N 4.40 2.24 0.29 3.43 -2.24 -1.22 -4.93 114.28 116.25 3ici n THR 127 Ca 0.15 -5.24 0.16 0.00 -2.27 0.00 0.00 64.05 56.85 3ici n THR 127 Cb 0.40 -1.61 0.89 0.00 -2.10 0.00 0.00 70.33 67.92 3ici n THR 127 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ici h ALA 128 N 3.51 1.23 0.00 6.98 0.00 -1.93 -2.02 119.26 127.04 3ici h ALA 128 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ici h ALA 128 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3ici h ALA 128 CO 0.77 0.06 0.00 -2.67 0.00 0.00 0.00 179.25 177.41 3ici n TRP 129 N -3.48 0.43 1.02 0.00 2.14 -1.26 -1.72 117.44 114.56 3ici n TRP 129 Ca -0.02 0.17 0.11 0.00 2.07 0.00 0.00 57.50 59.84 3ici n TRP 129 Cb 0.17 -0.78 0.15 0.00 -0.81 0.00 0.00 31.31 30.03 3ici n TRP 129 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3ici n LEU 130 N -1.90 0.71 -4.70 5.67 4.77 -0.76 -4.93 117.00 115.86 3ici n LEU 130 Ca 0.02 -0.18 -0.43 0.00 -0.03 0.00 0.00 56.01 55.39 3ici n LEU 130 Cb 0.19 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 3ici n LEU 130 CO 0.16 0.17 1.12 0.47 -1.33 0.00 0.00 177.39 177.98 3ici n ASP 131 N -1.41 3.24 0.00 -1.43 8.00 -0.70 -2.04 116.55 122.21 3ici n ASP 131 Ca 0.06 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.70 3ici n ASP 131 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 39.94 3ici n ASP 131 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ici n GLY 132 N 2.17 1.50 0.02 0.44 0.00 -1.26 -4.78 105.19 103.27 3ici n GLY 132 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 3ici n GLY 132 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ici n LYS 133 N -2.00 2.70 -5.02 1.61 5.02 -0.87 -4.99 118.16 114.61 3ici n LYS 133 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 3ici n LYS 133 Cb 0.00 -1.08 -0.15 0.00 -0.02 0.00 0.00 35.03 33.78 3ici n LYS 133 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3ici s HIS 134 N -2.08 2.62 -0.31 2.13 3.76 -1.02 -4.94 115.29 115.44 3ici s HIS 134 Ca -0.03 -0.50 -0.27 0.00 -0.15 0.00 0.00 55.06 54.12 3ici s HIS 134 Cb 0.01 -1.67 0.01 0.00 1.11 0.00 0.00 32.58 32.05 3ici s HIS 134 CO 0.13 -0.07 0.95 0.08 -0.85 0.00 0.00 174.74 174.97 3ici s VAL 135 N -0.25 4.64 -0.04 -0.90 1.01 -1.26 -4.85 120.40 118.75 3ici s VAL 135 Ca 0.00 1.50 -0.21 0.00 0.00 0.00 0.00 61.98 63.27 3ici s VAL 135 Cb -0.13 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 3ici s VAL 135 CO 0.03 -0.37 0.61 -0.69 0.00 0.00 0.00 175.10 174.68 3ici s VAL 136 N 3.33 4.99 0.00 2.92 1.01 -1.26 -1.29 120.40 130.10 3ici s VAL 136 Ca 0.40 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.64 3ici s VAL 136 Cb -0.13 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3ici s VAL 136 CO 0.14 0.36 0.00 2.22 0.00 0.00 0.00 175.10 177.81 3ici n PHE 137 N 3.17 0.00 -3.83 5.22 -1.74 -0.53 -4.66 117.46 115.10 3ici n PHE 137 Ca -0.05 0.00 -0.06 0.00 -0.56 0.00 0.00 57.45 56.78 3ici n PHE 137 Cb 0.51 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.53 3ici n PHE 137 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3ici s GLY 138 N 0.00 0.17 -0.10 4.97 0.00 -1.13 -1.65 107.32 109.57 3ici s GLY 138 Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 44.72 44.14 3ici s GLY 138 CO 0.00 0.61 0.28 1.25 0.00 0.00 0.00 173.10 175.24 3ici s LYS 139 N -2.56 0.34 0.05 2.90 2.20 -0.43 -0.68 119.74 121.57 3ici s LYS 139 Ca 0.17 0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 55.84 3ici s LYS 139 Cb -0.04 0.17 -0.08 0.00 -1.51 0.00 0.00 37.83 36.37 3ici s LYS 139 CO 0.08 -0.04 1.67 0.08 -0.36 0.00 0.00 175.35 176.78 3ici s VAL 140 N 0.09 3.11 -0.20 4.02 1.01 0.90 -0.90 120.40 128.43 3ici s VAL 140 Ca -0.01 0.49 0.16 0.00 0.00 0.00 0.00 61.98 62.62 3ici s VAL 140 Cb -0.02 -3.31 -0.23 0.00 0.00 0.00 0.00 36.38 32.81 3ici s VAL 140 CO 0.01 -0.01 0.05 0.18 0.00 0.00 0.00 175.10 175.32 3ici n LEU 141 N 5.92 0.22 -3.90 3.92 4.77 0.11 -4.90 117.00 123.14 3ici n LEU 141 Ca 0.16 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 3ici n LEU 141 Cb 0.41 0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 41.78 3ici n LEU 141 CO 0.63 0.51 -0.22 -1.61 -1.33 0.00 0.00 177.39 175.37 3ici s GLU 142 N -2.47 0.46 0.00 3.23 2.02 -1.08 -4.93 118.70 115.94 3ici s GLU 142 Ca -0.11 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.38 3ici s GLU 142 Cb 0.06 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.48 3ici s GLU 142 CO 0.78 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 176.36 3ici n GLY 143 N 1.37 0.60 0.24 -1.39 0.00 -1.26 -1.23 105.19 103.52 3ici n GLY 143 Ca -0.22 -0.79 0.06 0.00 0.00 0.00 0.00 46.02 45.06 3ici n GLY 143 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3ici h MET 144 N 0.00 0.04 -0.56 1.61 4.05 -1.91 0.17 114.93 118.33 3ici h MET 144 Ca 0.00 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.44 3ici h MET 144 Cb 0.26 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.02 3ici h MET 144 CO 0.00 0.13 0.37 1.05 0.23 0.00 0.00 176.91 178.69 3ici h GLU 145 N 0.04 0.64 -0.09 0.39 9.09 -1.96 -0.62 114.58 122.07 3ici h GLU 145 Ca 0.01 -0.04 -0.04 0.00 0.05 0.00 0.00 59.36 59.34 3ici h GLU 145 Cb 0.18 -0.14 -0.00 0.00 -1.65 0.00 0.00 28.75 27.13 3ici h GLU 145 CO 0.01 0.42 -0.11 0.28 0.05 0.00 0.00 179.01 179.67 3ici h VAL 146 N 0.66 1.37 -0.77 -1.06 2.07 -1.30 -2.16 116.25 115.06 3ici h VAL 146 Ca 0.22 -1.29 0.17 0.00 0.82 0.00 0.00 66.70 66.62 3ici h VAL 146 Cb 0.07 2.01 -0.11 0.00 -1.52 0.00 0.00 31.29 31.74 3ici h VAL 146 CO -0.06 0.37 0.24 0.58 0.02 0.00 0.00 177.57 178.72 3ici h VAL 147 N -0.18 0.52 -0.53 2.57 2.07 -1.07 -1.60 116.25 118.03 3ici h VAL 147 Ca 0.01 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3ici h VAL 147 Cb 0.64 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3ici h VAL 147 CO 0.03 0.06 0.30 0.03 0.02 0.00 0.00 177.57 178.01 3ici h ARG 148 N 0.32 0.73 -0.68 1.57 -0.00 -0.94 0.64 114.38 116.02 3ici h ARG 148 Ca 0.44 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.98 59.79 3ici h ARG 148 Cb 0.77 -0.15 -0.03 0.00 0.00 0.00 0.00 29.97 30.56 3ici h ARG 148 CO -0.50 0.53 0.14 0.87 0.00 0.00 0.00 179.97 181.01 3ici h LYS 149 N 0.74 1.09 -0.19 0.04 1.57 -0.64 -2.35 116.57 116.83 3ici h LYS 149 Ca 0.19 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 3ici h LYS 149 Cb 0.01 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 3ici h LYS 149 CO -0.03 0.98 -0.26 0.28 -0.57 0.00 0.00 179.45 179.84 3ici h VAL 150 N 1.03 1.34 -0.83 0.50 2.07 -0.88 -2.85 116.25 116.62 3ici h VAL 150 Ca 0.21 -1.47 0.19 0.00 0.82 0.00 0.00 66.70 66.45 3ici h VAL 150 Cb 0.39 1.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 3ici h VAL 150 CO 0.01 0.45 0.56 -0.08 0.02 0.00 0.00 177.57 178.52 3ici h GLU 151 N 0.17 0.33 -0.02 1.57 4.81 -0.67 -1.08 114.58 119.69 3ici h GLU 151 Ca 0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ici h GLU 151 Cb 0.84 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.14 3ici h GLU 151 CO 0.06 0.22 -0.05 0.43 -0.73 0.00 0.00 179.01 178.94 3ici n SER 152 N -4.47 1.96 -4.77 1.04 7.64 -0.90 -4.13 113.62 109.99 3ici n SER 152 Ca 0.17 -1.60 -0.40 0.00 1.01 0.00 0.00 58.87 58.05 3ici n SER 152 Cb 0.67 0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.89 3ici n SER 152 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3ici s THR 153 N -2.07 2.70 0.29 0.44 -1.32 -0.41 -4.94 115.64 110.33 3ici s THR 153 Ca 0.33 0.68 -0.30 0.00 -1.21 0.00 0.00 61.69 61.19 3ici s THR 153 Cb 0.20 -3.42 -0.11 0.00 -1.51 0.00 0.00 72.50 67.66 3ici s THR 153 CO 0.35 0.14 1.54 -0.54 -2.21 0.00 0.00 174.62 173.91 3ici s LYS 154 N -1.93 4.15 0.21 7.08 1.02 -1.26 -4.90 119.74 124.11 3ici s LYS 154 Ca 0.51 2.51 0.09 0.00 0.02 0.00 0.00 55.97 59.11 3ici s LYS 154 Cb -0.39 -3.04 -0.05 0.00 -0.52 0.00 0.00 37.83 33.84 3ici s LYS 154 CO 0.52 -0.57 -0.18 0.95 -0.92 0.00 0.00 175.35 175.15 3ici s THR 155 N -0.16 2.01 0.17 2.17 -4.23 -1.26 -0.85 115.64 113.49 3ici s THR 155 Ca 0.61 -2.18 -0.02 0.00 -1.18 0.00 0.00 61.69 58.92 3ici s THR 155 Cb -0.46 -2.07 0.04 0.00 1.34 0.00 0.00 72.50 71.35 3ici s THR 155 CO 0.49 -0.44 0.23 -0.90 -0.54 0.00 0.00 174.62 173.46 3ici n ASP 156 N -0.23 0.08 0.27 3.99 5.68 0.49 -4.84 116.55 121.99 3ici n ASP 156 Ca -0.09 -1.12 0.10 0.00 -0.50 0.00 0.00 54.79 53.18 3ici n ASP 156 Cb 0.59 -0.17 0.72 0.00 -1.14 0.00 0.00 41.12 41.12 3ici n ASP 156 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3ici h SER 157 N -0.27 0.00 -0.71 -1.12 4.64 -2.02 -1.33 113.55 112.75 3ici h SER 157 Ca -0.08 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.02 3ici h SER 157 Cb 0.22 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.18 3ici h SER 157 CO 0.06 0.02 0.26 -1.14 -0.87 0.00 0.00 176.83 175.16 3ici n ARG 158 N -4.27 3.50 -1.75 4.77 0.00 -1.26 -4.92 116.66 112.72 3ici n ARG 158 Ca -0.03 -3.09 -0.18 0.00 -0.00 0.00 0.00 57.85 54.56 3ici n ARG 158 Cb 0.10 -2.18 -0.06 0.00 0.00 0.00 0.00 32.46 30.33 3ici n ARG 158 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3ici n ASP 159 N -0.29 -5.13 -4.70 6.15 8.00 -0.50 -4.93 116.55 115.16 3ici n ASP 159 Ca 0.41 0.30 -0.40 0.00 0.71 0.00 0.00 54.79 55.82 3ici n ASP 159 Cb 1.36 -4.19 -0.05 0.00 -0.02 0.00 0.00 41.12 38.22 3ici n ASP 159 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3ici s LYS 160 N -3.90 4.33 0.23 -1.24 2.20 -1.26 -1.37 119.74 118.73 3ici s LYS 160 Ca 0.00 0.71 -0.31 0.00 -0.36 0.00 0.00 55.97 56.00 3ici s LYS 160 Cb 0.00 -3.50 -0.14 0.00 -1.51 0.00 0.00 37.83 32.68 3ici s LYS 160 CO 0.00 -0.04 1.22 -2.30 -0.36 0.00 0.00 175.35 173.87 3ici n PRO 161 N 4.28 1.55 0.03 4.03 -0.02 -1.26 -0.38 135.00 143.23 3ici n PRO 161 Ca -0.02 0.55 -0.05 0.00 -2.02 0.00 0.00 63.50 61.96 3ici n PRO 161 Cb 0.51 -2.08 0.16 0.00 -0.02 0.00 0.00 33.50 32.07 3ici n PRO 161 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ici h LEU 162 N 3.33 0.47 -9.25 2.45 3.38 -1.32 -3.40 115.31 110.97 3ici h LEU 162 Ca -0.43 -0.20 -0.66 0.00 0.09 0.00 0.00 57.88 56.69 3ici h LEU 162 Cb 1.32 -0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 3ici h LEU 162 CO 0.70 0.81 -0.58 -0.54 0.09 0.00 0.00 178.44 178.91 3ici s LYS 163 N -4.25 3.41 0.19 1.13 1.02 -1.26 -5.07 119.74 114.91 3ici s LYS 163 Ca -0.06 -0.35 -0.32 0.00 0.02 0.00 0.00 55.97 55.26 3ici s LYS 163 Cb 0.13 -2.99 -0.11 0.00 -0.52 0.00 0.00 37.83 34.33 3ici s LYS 163 CO 0.80 0.55 1.70 -0.51 -0.92 0.00 0.00 175.35 176.97 3ici s ASP 164 N -0.44 6.42 -0.39 2.83 1.01 -1.26 -4.57 116.67 120.27 3ici s ASP 164 Ca 0.09 2.81 -0.14 0.00 0.71 0.00 0.00 52.55 56.02 3ici s ASP 164 Cb -0.12 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.23 3ici s ASP 164 CO 0.02 -0.95 0.27 -0.69 0.21 0.00 0.00 175.17 174.04 3ici s VAL 165 N 1.28 5.19 -0.02 -1.27 1.01 -1.26 -0.91 120.40 124.42 3ici s VAL 165 Ca 0.74 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 62.20 3ici s VAL 165 Cb -0.48 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 3ici s VAL 165 CO 0.32 -0.22 -0.16 -0.63 0.00 0.00 0.00 175.10 174.41 3ici s ILE 166 N 1.68 2.94 -0.82 2.22 -1.09 0.04 -0.90 121.20 125.27 3ici s ILE 166 Ca 0.05 -0.87 -0.24 0.00 -2.23 0.00 0.00 60.65 57.36 3ici s ILE 166 Cb -0.19 -2.17 0.05 0.00 -1.58 0.00 0.00 42.46 38.58 3ici s ILE 166 CO 0.10 0.52 1.26 -0.63 -1.23 0.00 0.00 174.94 174.95 3ici s ILE 167 N -0.78 3.97 0.25 2.92 1.01 -0.31 -1.27 121.20 126.99 3ici s ILE 167 Ca 0.12 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.57 3ici s ILE 167 Cb -0.11 -4.90 0.02 0.00 0.01 0.00 0.00 42.46 37.48 3ici s ILE 167 CO 0.02 -1.78 1.64 0.00 0.00 0.00 0.00 174.94 174.82 3ici h ALA 168 N 9.78 0.97 -2.72 9.38 0.00 -1.05 0.59 119.26 136.22 3ici h ALA 168 Ca -0.11 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3ici h ALA 168 Cb 1.04 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.59 3ici h ALA 168 CO 1.29 0.62 0.05 0.34 0.00 0.00 0.00 179.25 181.55 3ici s ASP 169 N -6.86 -0.41 0.14 0.00 2.15 -1.16 -4.63 116.67 105.90 3ici s ASP 169 Ca -0.06 -0.02 -0.24 0.00 0.43 0.00 0.00 52.55 52.65 3ici s ASP 169 Cb 0.13 0.52 0.07 0.00 -0.30 0.00 0.00 42.92 43.33 3ici s ASP 169 CO 0.80 -0.83 0.78 0.00 -0.17 0.00 0.00 175.17 175.75 3ici n GLY 171 N -0.38 -1.66 3.80 0.00 0.00 -1.02 -4.69 105.19 101.24 3ici n GLY 171 Ca -0.10 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.57 3ici n GLY 171 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ici s LYS 172 N -1.59 2.94 -0.12 1.61 -2.85 -1.26 -1.36 119.74 117.11 3ici s LYS 172 Ca 0.00 -0.81 0.01 0.00 -1.00 0.00 0.00 55.97 54.17 3ici s LYS 172 Cb 0.00 -2.69 0.02 0.00 -2.06 0.00 0.00 37.83 33.10 3ici s LYS 172 CO 0.00 0.51 -0.13 0.42 0.10 0.00 0.00 175.35 176.25 3ici s ILE 173 N -1.67 1.38 0.56 3.79 1.01 0.44 -4.92 121.20 121.80 3ici s ILE 173 Ca 0.31 -0.54 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 3ici s ILE 173 Cb -0.11 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 3ici s ILE 173 CO 0.23 0.42 1.10 -1.61 0.00 0.00 0.00 174.94 175.09 3ici s GLU 174 N 1.32 3.33 -0.24 2.79 0.41 -1.26 -1.53 118.70 123.51 3ici s GLU 174 Ca -0.00 1.47 0.02 0.00 -0.41 0.00 0.00 54.97 56.04 3ici s GLU 174 Cb -0.14 -2.02 0.06 0.00 -1.78 0.00 0.00 34.13 30.26 3ici s GLU 174 CO -0.06 -0.84 -0.08 0.08 -0.49 0.00 0.00 175.26 173.87 3ici s VAL 175 N -2.01 1.80 0.18 2.63 1.01 -1.26 -4.85 120.40 117.89 3ici s VAL 175 Ca 0.69 -1.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 3ici s VAL 175 Cb -0.21 -1.99 0.10 0.00 0.00 0.00 0.00 36.38 34.28 3ici s VAL 175 CO 0.30 -0.06 1.80 -0.33 0.00 0.00 0.00 175.10 176.81 3ici h GLU 176 N 7.88 0.87 -3.87 2.72 4.39 -1.96 -3.40 114.58 121.22 3ici h GLU 176 Ca -0.19 -0.10 -0.58 0.00 0.34 0.00 0.00 59.36 58.83 3ici h GLU 176 Cb 1.06 -0.17 -0.40 0.00 -0.10 0.00 0.00 28.75 29.14 3ici h GLU 176 CO 0.44 0.66 -0.76 0.15 -1.16 0.00 0.00 179.01 178.33 3ici s LYS 177 N -5.87 1.00 0.30 2.33 1.02 -1.26 -5.12 119.74 112.14 3ici s LYS 177 Ca -0.13 -1.02 -0.28 0.00 0.02 0.00 0.00 55.97 54.57 3ici s LYS 177 Cb 0.13 -2.29 -0.14 0.00 -0.52 0.00 0.00 37.83 35.01 3ici s LYS 177 CO 0.78 -0.82 1.05 -2.30 -0.92 0.00 0.00 175.35 173.13 3ici n PRO 178 N 4.78 1.46 -4.13 -1.68 -0.02 -1.26 -5.00 135.00 129.15 3ici n PRO 178 Ca -0.05 0.51 -0.15 0.00 -2.02 0.00 0.00 63.50 61.79 3ici n PRO 178 Cb 0.43 -1.91 -0.14 0.00 -0.02 0.00 0.00 33.50 31.86 3ici n PRO 178 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3ici s PHE 179 N -1.07 0.46 0.26 6.00 -0.12 -0.99 -4.90 117.98 117.62 3ici s PHE 179 Ca 0.58 -0.14 -0.24 0.00 -0.05 0.00 0.00 56.93 57.08 3ici s PHE 179 Cb -0.68 -0.30 -0.09 0.00 -0.63 0.00 0.00 43.02 41.32 3ici s PHE 179 CO 0.60 -0.02 0.85 0.00 -0.05 0.00 0.00 175.22 176.61 3ici s ALA 180 N -0.27 3.32 0.49 1.99 0.00 -1.26 -0.14 121.76 125.87 3ici s ALA 180 Ca 0.00 0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.40 3ici s ALA 180 Cb -0.03 -3.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 3ici s ALA 180 CO -0.00 0.24 0.16 0.96 0.00 0.00 0.00 175.76 177.12 3ici s ILE 181 N -1.49 1.65 0.25 0.00 -4.36 -0.92 -4.90 121.20 111.42 3ici s ILE 181 Ca 0.45 -1.79 -0.19 0.00 -0.26 0.00 0.00 60.65 58.87 3ici s ILE 181 Cb -0.19 -2.43 -0.09 0.00 1.25 0.00 0.00 42.46 41.00 3ici s ILE 181 CO 0.24 0.00 0.74 0.00 0.24 0.00 0.00 174.94 176.16 3ici s ALA 182 N -2.77 3.38 -1.52 2.27 0.00 -1.26 0.69 121.76 122.55 3ici s ALA 182 Ca 0.25 0.15 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 3ici s ALA 182 Cb 0.02 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 3ici s ALA 182 CO 0.14 0.32 2.61 1.63 0.00 0.00 0.00 175.76 180.46 3ici n LYS 183 N 0.44 3.58 0.00 0.00 5.02 -1.26 -4.74 118.16 121.19 3ici n LYS 183 Ca -0.01 -2.56 0.00 0.00 -2.02 0.00 0.00 58.31 53.72 3ici n LYS 183 Cb 0.52 -2.92 0.00 0.00 -0.02 0.00 0.00 35.03 32.60 3ici n LYS 183 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03