#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihh s HIS 22 N 0.00 3.84 0.48 -0.14 5.65 -1.26 -4.95 115.29 118.92 3ihh s HIS 22 Ca 0.00 1.81 0.24 0.00 0.25 0.00 0.00 55.06 57.36 3ihh s HIS 22 Cb 0.00 -3.06 1.29 0.00 -1.18 0.00 0.00 32.58 29.62 3ihh s HIS 22 CO 0.00 0.17 1.90 0.78 -0.65 0.00 0.00 174.74 176.94 3ihh h GLY 23 N 4.97 0.37 2.00 1.59 0.00 -1.98 -1.16 103.07 108.86 3ihh h GLY 23 Ca -0.44 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3ihh h GLY 23 CO 0.70 0.00 0.00 -2.09 0.00 0.00 0.00 176.54 175.16 3ihh h GLU 24 N 0.18 0.00 0.00 4.80 4.81 -1.97 -2.92 114.58 119.48 3ihh h GLU 24 Ca 0.40 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.58 3ihh h GLU 24 Cb 1.31 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 3ihh h GLU 24 CO -0.08 0.00 -0.23 -0.07 -0.73 0.00 0.00 179.01 177.90 3ihh h LEU 25 N 0.00 0.00 -0.10 1.64 3.38 -1.60 -1.97 115.31 116.66 3ihh h LEU 25 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ihh h LEU 25 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ihh h LEU 25 CO 0.00 0.23 0.06 1.56 0.09 0.00 0.00 178.44 180.38 3ihh h GLN 26 N 0.00 0.14 -0.05 1.13 4.20 -1.69 0.33 115.11 119.16 3ihh h GLN 26 Ca -0.00 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.71 3ihh h GLN 26 Cb 0.46 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 3ihh h GLN 26 CO 0.03 0.16 -0.07 -0.92 -0.67 0.00 0.00 178.83 177.36 3ihh h TYR 27 N 0.08 -0.18 -0.52 2.96 5.03 -1.61 -1.58 116.97 121.16 3ihh h TYR 27 Ca 0.04 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.38 3ihh h TYR 27 Cb 0.06 0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.40 3ihh h TYR 27 CO -0.05 -0.12 0.32 -0.07 -1.32 0.00 0.00 178.16 176.92 3ihh h LEU 28 N -0.10 0.52 -0.98 2.82 3.38 -1.21 -0.85 115.31 118.89 3ihh h LEU 28 Ca 0.05 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.13 3ihh h LEU 28 Cb 0.17 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 3ihh h LEU 28 CO -0.12 0.37 0.61 0.03 0.09 0.00 0.00 178.44 179.42 3ihh h ARG 29 N 0.64 0.95 -0.03 1.13 3.08 -0.22 -0.69 114.38 119.24 3ihh h ARG 29 Ca 0.20 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3ihh h ARG 29 Cb -0.00 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.83 3ihh h ARG 29 CO -0.08 0.63 0.01 1.96 -1.07 0.00 0.00 179.97 181.41 3ihh h GLN 30 N 0.97 0.04 -0.31 0.04 4.20 -0.23 -1.72 115.11 118.11 3ihh h GLN 30 Ca 0.48 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.23 3ihh h GLN 30 Cb 0.45 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.18 3ihh h GLN 30 CO -0.26 0.22 0.02 0.28 -0.67 0.00 0.00 178.83 178.42 3ihh h VAL 31 N -0.14 0.80 -0.57 -0.54 2.07 -0.73 -1.99 116.25 115.15 3ihh h VAL 31 Ca 0.01 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3ihh h VAL 31 Cb 0.19 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3ihh h VAL 31 CO -0.00 0.02 0.37 1.05 0.02 0.00 0.00 177.57 179.03 3ihh h GLU 32 N 0.12 0.76 -0.34 1.57 4.11 -1.04 -0.66 114.58 119.10 3ihh h GLU 32 Ca 0.15 -0.05 0.06 0.00 0.07 0.00 0.00 59.36 59.59 3ihh h GLU 32 Cb 0.19 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 3ihh h GLU 32 CO -0.23 0.52 -0.03 1.25 0.07 0.00 0.00 179.01 180.59 3ihh h HIS 33 N 0.77 -0.07 -0.08 2.06 2.76 -0.98 -0.85 115.15 118.76 3ihh h HIS 33 Ca 0.21 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 3ihh h HIS 33 Cb -0.06 0.08 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 3ihh h HIS 33 CO -0.03 -0.09 0.05 0.82 -1.30 0.00 0.00 177.93 177.38 3ihh h ILE 34 N 0.06 1.04 -1.00 6.26 2.04 -0.95 0.58 117.51 125.55 3ihh h ILE 34 Ca 0.16 -0.10 0.26 0.00 1.00 0.00 0.00 64.86 66.19 3ihh h ILE 34 Cb 0.24 0.96 -0.13 0.00 -0.74 0.00 0.00 36.82 37.15 3ihh h ILE 34 CO -0.30 0.03 0.57 -0.07 0.00 0.00 0.00 178.15 178.39 3ihh h LEU 35 N 0.09 0.61 0.01 1.44 4.07 -0.84 0.28 115.31 120.96 3ihh h LEU 35 Ca 0.03 0.15 -0.36 0.00 0.08 0.00 0.00 57.88 57.78 3ihh h LEU 35 Cb 0.01 0.07 -0.06 0.00 1.08 0.00 0.00 40.66 41.76 3ihh h LEU 35 CO -0.01 0.03 -2.26 -1.14 -1.08 0.00 0.00 178.44 173.99 3ihh n ARG 36 N -4.94 0.68 -0.00 1.13 0.63 -0.35 -4.66 116.66 109.15 3ihh n ARG 36 Ca 0.28 0.10 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 3ihh n ARG 36 Cb 0.80 -1.58 -0.01 0.00 0.45 0.00 0.00 32.46 32.12 3ihh n ARG 36 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ihh n GLY 38 N 1.80 -0.04 3.89 0.00 0.00 0.08 -4.97 105.19 105.96 3ihh n GLY 38 Ca -0.00 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3ihh n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ihh s PHE 39 N -1.47 3.55 0.10 1.61 0.40 -0.27 -4.67 117.98 117.23 3ihh s PHE 39 Ca 0.78 0.51 -0.31 0.00 -0.60 0.00 0.00 56.93 57.31 3ihh s PHE 39 Cb -0.40 -1.95 -0.10 0.00 0.51 0.00 0.00 43.02 41.08 3ihh s PHE 39 CO 0.45 0.58 1.79 0.21 0.70 0.00 0.00 175.22 178.94 3ihh s LYS 40 N -2.04 4.15 -0.04 0.44 2.20 -1.26 -1.32 119.74 121.87 3ihh s LYS 40 Ca 0.31 2.51 0.01 0.00 -0.36 0.00 0.00 55.97 58.44 3ihh s LYS 40 Cb -0.13 -3.65 0.02 0.00 -1.51 0.00 0.00 37.83 32.57 3ihh s LYS 40 CO 0.20 -0.82 -0.03 0.21 -0.36 0.00 0.00 175.35 174.54 3ihh s LYS 41 N 2.87 0.68 0.71 4.03 2.20 0.07 -4.94 119.74 125.36 3ihh s LYS 41 Ca 0.79 -0.05 -0.12 0.00 -0.36 0.00 0.00 55.97 56.24 3ihh s LYS 41 Cb -0.44 -0.75 0.02 0.00 -1.51 0.00 0.00 37.83 35.15 3ihh s LYS 41 CO 0.35 -0.11 1.07 -2.00 -0.36 0.00 0.00 175.35 174.31 3ihh s GLU 42 N 1.00 2.74 0.25 4.03 2.56 -1.26 -0.74 118.70 127.27 3ihh s GLU 42 Ca -0.10 1.10 0.01 0.00 0.00 0.00 0.00 54.97 55.98 3ihh s GLU 42 Cb -0.14 -1.96 -0.04 0.00 2.00 0.00 0.00 34.13 33.99 3ihh s GLU 42 CO -0.01 -1.26 0.15 0.16 -0.56 0.00 0.00 175.26 173.75 3ihh s ASP 43 N -3.43 0.76 0.31 -1.70 3.84 -1.26 -4.84 116.67 110.35 3ihh s ASP 43 Ca 0.61 -1.47 0.05 0.00 -0.00 0.00 0.00 52.55 51.73 3ihh s ASP 43 Cb -0.16 0.37 0.82 0.00 -1.38 0.00 0.00 42.92 42.58 3ihh s ASP 43 CO 0.52 -0.86 1.62 -0.09 -0.00 0.00 0.00 175.17 176.35 3ihh h ARG 44 N 2.45 0.12 -0.00 2.11 2.43 -2.02 -0.54 114.38 118.93 3ihh h ARG 44 Ca -0.34 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3ihh h ARG 44 Cb 1.25 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3ihh h ARG 44 CO 0.52 0.08 -0.02 0.25 -1.51 0.00 0.00 179.97 179.29 3ihh n THR 45 N -5.30 0.00 -1.51 0.20 -2.24 -1.26 -4.90 114.28 99.27 3ihh n THR 45 Ca 0.24 -0.02 -0.16 0.00 -2.27 0.00 0.00 64.05 61.85 3ihh n THR 45 Cb 0.80 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.57 3ihh n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ihh n GLY 46 N 1.17 1.47 0.12 3.38 0.00 -0.21 -4.87 105.19 106.24 3ihh n GLY 46 Ca 0.18 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 3ihh n GLY 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ihh n THR 47 N -2.64 1.50 0.00 2.61 -1.04 -1.26 -4.95 114.28 108.51 3ihh n THR 47 Ca -0.16 -0.70 0.00 0.00 -2.04 0.00 0.00 64.05 61.15 3ihh n THR 47 Cb 0.52 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 3ihh n THR 47 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ihh n GLY 48 N 1.99 0.32 3.20 3.41 0.00 -1.26 -4.64 105.19 108.22 3ihh n GLY 48 Ca -0.37 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 3ihh n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ihh s THR 49 N -1.89 0.40 -0.11 2.61 -4.23 0.08 -2.24 115.64 110.25 3ihh s THR 49 Ca 0.00 -1.95 -0.04 0.00 -1.18 0.00 0.00 61.69 58.52 3ihh s THR 49 Cb 0.00 -2.12 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 3ihh s THR 49 CO 0.00 -0.44 0.06 -0.76 -0.54 0.00 0.00 174.62 172.94 3ihh s LEU 50 N -3.12 3.89 -0.03 4.79 1.43 -0.70 -0.75 118.68 124.19 3ihh s LEU 50 Ca 0.25 0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.57 3ihh s LEU 50 Cb 0.07 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.38 3ihh s LEU 50 CO 0.04 0.36 0.08 -0.55 0.23 0.00 0.00 176.35 176.50 3ihh s SER 51 N -0.75 -0.06 -0.03 2.29 0.15 -0.44 -1.30 113.70 113.56 3ihh s SER 51 Ca 0.12 0.15 0.07 0.00 0.70 0.00 0.00 55.95 57.00 3ihh s SER 51 Cb -0.12 0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.31 3ihh s SER 51 CO 0.03 -0.05 -0.25 -0.69 1.20 0.00 0.00 173.24 173.48 3ihh s VAL 52 N 0.31 1.97 -0.34 4.45 1.01 -0.26 -1.11 120.40 126.42 3ihh s VAL 52 Ca -0.02 -1.05 -0.16 0.00 0.00 0.00 0.00 61.98 60.75 3ihh s VAL 52 Cb -0.03 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 3ihh s VAL 52 CO -0.01 0.55 0.41 0.12 0.00 0.00 0.00 175.10 176.18 3ihh s PHE 53 N -0.40 3.20 0.00 5.22 5.36 -1.26 -0.63 117.98 129.47 3ihh s PHE 53 Ca 0.04 0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.09 3ihh s PHE 53 Cb -0.11 -2.74 0.00 0.00 -0.34 0.00 0.00 43.02 39.82 3ihh s PHE 53 CO 0.01 -0.45 0.00 0.41 -1.46 0.00 0.00 175.22 173.73 3ihh n GLY 54 N 4.88 -0.58 3.22 13.12 0.00 -0.06 -5.00 105.19 120.76 3ihh n GLY 54 Ca -0.08 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 3ihh n GLY 54 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ihh s MET 55 N -1.00 0.93 -0.19 1.61 -1.94 -0.99 -4.98 119.30 112.74 3ihh s MET 55 Ca 0.00 -1.20 -0.14 0.00 -1.71 0.00 0.00 55.69 52.64 3ihh s MET 55 Cb 0.00 0.31 0.05 0.00 2.01 0.00 0.00 34.83 37.20 3ihh s MET 55 CO 0.00 -0.29 0.48 -1.14 -0.01 0.00 0.00 175.02 174.06 3ihh s GLN 56 N -3.95 0.52 0.05 2.03 0.74 -1.26 -0.98 119.66 116.82 3ihh s GLN 56 Ca 0.14 0.76 0.02 0.00 0.05 0.00 0.00 55.36 56.33 3ihh s GLN 56 Cb 0.06 0.17 -0.03 0.00 1.10 0.00 0.00 33.01 34.31 3ihh s GLN 56 CO -0.04 -0.10 -0.07 0.00 -0.55 0.00 0.00 175.29 174.53 3ihh s ALA 57 N 0.74 0.64 -0.07 1.58 0.00 -0.48 -4.99 121.76 119.17 3ihh s ALA 57 Ca -0.04 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.02 3ihh s ALA 57 Cb -0.05 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.17 3ihh s ALA 57 CO -0.05 -0.10 -0.11 0.50 0.00 0.00 0.00 175.76 176.00 3ihh s ARG 58 N -2.22 1.63 -0.25 0.00 3.52 -1.26 -0.37 118.95 120.00 3ihh s ARG 58 Ca -0.04 -0.37 0.02 0.00 -0.13 0.00 0.00 55.73 55.20 3ihh s ARG 58 Cb -0.06 -1.41 0.05 0.00 -1.56 0.00 0.00 34.95 31.97 3ihh s ARG 58 CO -0.01 -0.03 -0.11 0.71 -0.81 0.00 0.00 175.30 175.04 3ihh s TYR 59 N 0.87 3.16 0.32 5.12 2.02 0.37 -4.97 117.35 124.25 3ihh s TYR 59 Ca -0.11 -2.08 -0.29 0.00 -0.37 0.00 0.00 57.07 54.22 3ihh s TYR 59 Cb -0.15 -1.96 -0.10 0.00 -0.40 0.00 0.00 41.96 39.35 3ihh s TYR 59 CO 0.01 -0.84 1.29 0.45 -1.57 0.00 0.00 175.55 174.88 3ihh s SER 60 N 1.17 6.83 -0.11 2.29 0.15 -1.26 -0.74 113.70 122.03 3ihh s SER 60 Ca -0.05 2.64 0.15 0.00 0.70 0.00 0.00 55.95 59.39 3ihh s SER 60 Cb -0.18 -2.65 0.51 0.00 -1.71 0.00 0.00 66.02 61.99 3ihh s SER 60 CO -0.06 -0.49 1.42 0.18 1.20 0.00 0.00 173.24 175.49 3ihh n LEU 61 N 0.90 3.83 -4.50 3.45 4.77 0.45 -4.72 117.00 121.19 3ihh n LEU 61 Ca 0.00 -2.59 -0.43 0.00 -0.03 0.00 0.00 56.01 52.96 3ihh n LEU 61 Cb 0.42 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 3ihh n LEU 61 CO 0.59 0.71 0.48 -0.13 -1.33 0.00 0.00 177.39 177.71 3ihh s ARG 62 N -2.08 3.25 -1.84 3.23 0.52 -1.25 -3.95 118.95 116.83 3ihh s ARG 62 Ca 0.38 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 55.11 3ihh s ARG 62 Cb 0.27 -4.02 0.00 0.00 0.52 0.00 0.00 34.95 31.72 3ihh s ARG 62 CO 0.14 -1.21 0.00 -0.25 0.02 0.00 0.00 175.30 174.00 3ihh n ASP 63 N 6.59 -5.16 -3.74 0.23 10.43 -1.26 -4.95 116.55 118.69 3ihh n ASP 63 Ca -0.02 0.29 -0.05 0.00 2.57 0.00 0.00 54.79 57.57 3ihh n ASP 63 Cb 0.47 -4.48 -0.02 0.00 1.84 0.00 0.00 41.12 38.94 3ihh n ASP 63 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 3ihh s GLU 64 N -4.20 1.30 -0.05 -1.24 -1.05 -1.25 -4.85 118.70 107.35 3ihh s GLU 64 Ca 0.00 -0.69 -0.00 0.00 -0.15 0.00 0.00 54.97 54.13 3ihh s GLU 64 Cb 0.00 0.46 0.03 0.00 -0.44 0.00 0.00 34.13 34.18 3ihh s GLU 64 CO 0.00 -0.59 -0.01 0.12 0.95 0.00 0.00 175.26 175.72 3ihh s PHE 65 N -3.44 0.59 -1.44 4.83 5.36 -0.14 -4.48 117.98 119.27 3ihh s PHE 65 Ca 0.11 -0.13 -0.11 0.00 -0.96 0.00 0.00 56.93 55.84 3ihh s PHE 65 Cb -0.02 -0.65 0.05 0.00 -0.34 0.00 0.00 43.02 42.06 3ihh s PHE 65 CO 0.01 -0.23 2.33 -0.35 -1.46 0.00 0.00 175.22 175.53 3ihh n PRO 66 N 4.51 3.46 -3.35 10.12 -0.04 -1.26 -3.89 135.00 144.56 3ihh n PRO 66 Ca -0.18 -2.85 -0.42 0.00 -0.04 0.00 0.00 63.50 60.01 3ihh n PRO 66 Cb 0.50 -3.00 -0.09 0.00 -0.04 0.00 0.00 33.50 30.87 3ihh n PRO 66 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ihh s LEU 67 N 0.59 4.60 0.26 1.53 2.96 -1.26 -4.41 118.68 122.95 3ihh s LEU 67 Ca 0.51 -0.38 -0.31 0.00 -0.22 0.00 0.00 54.13 53.73 3ihh s LEU 67 Cb 0.14 -2.39 -0.11 0.00 0.50 0.00 0.00 46.19 44.33 3ihh s LEU 67 CO -0.06 -0.45 1.62 -0.76 -1.32 0.00 0.00 176.35 175.38 3ihh s LEU 68 N 2.11 4.36 -0.01 -0.68 1.43 -1.26 -4.70 118.68 119.93 3ihh s LEU 68 Ca 0.13 2.88 0.20 0.00 -1.03 0.00 0.00 54.13 56.31 3ihh s LEU 68 Cb -0.17 -3.62 -0.27 0.00 0.03 0.00 0.00 46.19 42.17 3ihh s LEU 68 CO 0.13 -0.91 0.66 0.35 0.23 0.00 0.00 176.35 176.80 3ihh n THR 69 N 2.85 0.00 0.31 5.49 -2.24 -1.26 -4.19 114.28 115.24 3ihh n THR 69 Ca 0.11 -0.24 0.15 0.00 -2.27 0.00 0.00 64.05 61.79 3ihh n THR 69 Cb 0.37 0.53 0.48 0.00 -2.10 0.00 0.00 70.33 69.61 3ihh n THR 69 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3ihh h THR 70 N 0.00 0.00 -2.51 4.28 1.35 -1.92 0.28 112.91 114.39 3ihh h THR 70 Ca 0.00 -0.62 -0.09 0.00 -0.55 0.00 0.00 66.41 65.15 3ihh h THR 70 Cb 0.70 1.59 -0.25 0.00 -1.73 0.00 0.00 68.15 68.46 3ihh h THR 70 CO 0.00 0.00 -0.21 -0.75 -0.25 0.00 0.00 175.52 174.31 3ihh s LYS 71 N -3.43 0.49 0.35 4.72 2.20 -1.26 -4.62 119.74 118.19 3ihh s LYS 71 Ca 0.04 0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 56.21 3ihh s LYS 71 Cb 0.08 0.08 -0.11 0.00 -1.51 0.00 0.00 37.83 36.37 3ihh s LYS 71 CO 0.57 -0.14 1.40 0.50 -0.36 0.00 0.00 175.35 177.33 3ihh s ARG 72 N 1.18 4.23 -0.02 4.03 3.52 -1.26 -4.76 118.95 125.87 3ihh s ARG 72 Ca -0.07 2.39 0.02 0.00 -0.13 0.00 0.00 55.73 57.94 3ihh s ARG 72 Cb -0.07 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.26 3ihh s ARG 72 CO -0.11 -0.37 -0.05 0.08 -0.81 0.00 0.00 175.30 174.05 3ihh s VAL 73 N -1.02 3.83 -1.01 7.11 1.01 -1.26 -5.02 120.40 124.04 3ihh s VAL 73 Ca 0.52 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.70 3ihh s VAL 73 Cb -0.43 -2.65 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 3ihh s VAL 73 CO 0.57 0.46 2.05 0.33 0.00 0.00 0.00 175.10 178.51 3ihh n PHE 74 N 1.74 2.37 -0.35 5.22 7.35 -1.26 -4.78 117.46 127.75 3ihh n PHE 74 Ca -0.16 -2.20 0.11 0.00 -0.76 0.00 0.00 57.45 54.44 3ihh n PHE 74 Cb 0.53 -1.98 0.30 0.00 0.35 0.00 0.00 39.48 38.68 3ihh n PHE 74 CO 0.00 0.00 0.00 2.35 -0.76 0.00 0.00 176.76 178.35 3ihh h TRP 75 N 7.18 1.09 -0.92 -5.13 2.91 -1.99 -0.68 115.95 118.39 3ihh h TRP 75 Ca 0.48 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.59 3ihh h TRP 75 Cb 0.63 -0.33 -0.06 0.00 -0.51 0.00 0.00 29.16 28.88 3ihh h TRP 75 CO 1.36 0.30 0.59 -0.22 -1.03 0.00 0.00 178.44 179.44 3ihh h LYS 76 N 0.83 1.07 -0.21 2.65 3.64 -2.00 -1.84 116.57 120.71 3ihh h LYS 76 Ca 0.55 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.84 3ihh h LYS 76 Cb 0.78 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3ihh h LYS 76 CO -0.34 0.71 0.03 0.78 -2.27 0.00 0.00 179.45 178.36 3ihh h GLY 77 N 1.10 0.37 0.28 5.01 0.00 -1.55 -2.21 103.07 106.08 3ihh h GLY 77 Ca 0.39 -0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.54 3ihh h GLY 77 CO -0.15 0.23 -0.09 -2.08 0.00 0.00 0.00 176.54 174.45 3ihh h VAL 78 N 0.14 0.64 -0.14 4.60 2.07 -0.96 -0.95 116.25 121.66 3ihh h VAL 78 Ca 0.06 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 3ihh h VAL 78 Cb 0.32 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3ihh h VAL 78 CO 0.00 0.00 -0.07 0.25 0.02 0.00 0.00 177.57 177.77 3ihh h LEU 79 N -0.00 0.31 -0.67 2.57 5.85 -1.33 -2.14 115.31 119.90 3ihh h LEU 79 Ca 0.17 -0.41 -0.10 0.00 0.84 0.00 0.00 57.88 58.38 3ihh h LEU 79 Cb 0.27 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3ihh h LEU 79 CO -0.37 0.66 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.03 3ihh h GLU 80 N -0.03 1.02 -0.58 1.25 4.39 -1.30 -1.69 114.58 117.64 3ihh h GLU 80 Ca 0.03 -0.32 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 3ihh h GLU 80 Cb 0.54 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 3ihh h GLU 80 CO 0.02 1.01 0.30 1.49 -1.16 0.00 0.00 179.01 180.66 3ihh h GLU 81 N 0.93 0.82 -0.64 2.33 4.81 -1.10 -0.19 114.58 121.53 3ihh h GLU 81 Ca 0.16 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 3ihh h GLU 81 Cb 0.57 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 3ihh h GLU 81 CO 0.03 0.65 0.08 1.25 -0.73 0.00 0.00 179.01 180.29 3ihh h LEU 82 N 0.78 1.04 -1.06 1.64 5.85 -1.21 -0.48 115.31 121.88 3ihh h LEU 82 Ca 0.20 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 3ihh h LEU 82 Cb 0.09 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3ihh h LEU 82 CO -0.03 1.05 0.39 -0.07 -0.34 0.00 0.00 178.44 179.44 3ihh h LEU 83 N 0.99 0.94 0.00 2.25 3.38 -0.95 -2.10 115.31 119.82 3ihh h LEU 83 Ca 0.19 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ihh h LEU 83 Cb 0.47 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3ihh h LEU 83 CO 0.02 0.78 -0.02 -0.25 0.09 0.00 0.00 178.44 179.05 3ihh h TRP 84 N 1.05 -0.06 -0.25 1.13 7.01 -0.58 -2.40 115.95 121.86 3ihh h TRP 84 Ca 0.26 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.33 3ihh h TRP 84 Cb 0.06 0.03 -0.07 0.00 -2.10 0.00 0.00 29.16 27.07 3ihh h TRP 84 CO 0.01 -0.04 -0.28 0.74 -2.79 0.00 0.00 178.44 176.08 3ihh h PHE 85 N -0.04 -0.77 -0.54 2.65 0.04 -0.96 -2.65 116.94 114.67 3ihh h PHE 85 Ca 0.01 0.04 0.09 0.00 2.80 0.00 0.00 57.97 60.91 3ihh h PHE 85 Cb 0.05 0.37 -0.07 0.00 2.20 0.00 0.00 35.95 38.51 3ihh h PHE 85 CO -0.10 -0.36 0.15 0.82 -0.60 0.00 0.00 178.31 178.22 3ihh h ILE 86 N -0.29 0.74 0.00 -0.55 2.04 -1.27 0.23 117.51 118.40 3ihh h ILE 86 Ca 0.13 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3ihh h ILE 86 Cb 0.50 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3ihh h ILE 86 CO -0.41 0.05 0.00 2.29 0.00 0.00 0.00 178.15 180.08 3ihh n LYS 87 N -5.07 0.78 -0.89 2.37 2.85 -0.91 -4.87 118.16 112.41 3ihh n LYS 87 Ca 0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.33 3ihh n LYS 87 Cb 0.26 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 33.19 3ihh n LYS 87 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ihh n GLY 88 N 0.54 0.52 3.76 2.58 0.00 0.80 -5.02 105.19 108.37 3ihh n GLY 88 Ca 0.17 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 3ihh n GLY 88 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ihh s SER 89 N -2.25 7.15 -0.11 1.61 0.15 -1.02 -4.12 113.70 115.11 3ihh s SER 89 Ca 0.00 2.35 0.14 0.00 0.70 0.00 0.00 55.95 59.14 3ihh s SER 89 Cb 0.00 -2.63 0.39 0.00 -1.71 0.00 0.00 66.02 62.07 3ihh s SER 89 CO 0.00 -0.25 1.30 0.35 1.20 0.00 0.00 173.24 175.84 3ihh n THR 90 N 1.27 1.77 -3.36 6.45 -2.24 -1.26 -4.29 114.28 112.61 3ihh n THR 90 Ca -0.00 -1.62 -0.45 0.00 -2.27 0.00 0.00 64.05 59.71 3ihh n THR 90 Cb 0.44 0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.62 3ihh n THR 90 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ihh s ASN 91 N -1.73 6.16 0.34 3.42 2.47 -1.26 -1.80 114.94 122.53 3ihh s ASN 91 Ca 0.32 -1.35 0.13 0.00 0.42 0.00 0.00 52.86 52.38 3ihh s ASN 91 Cb 0.24 -2.20 1.05 0.00 -1.45 0.00 0.00 41.25 38.90 3ihh s ASN 91 CO 0.09 -0.69 1.66 0.00 -3.72 0.00 0.00 177.10 174.44 3ihh h ALA 92 N 8.79 1.88 0.00 1.71 0.00 -0.66 -1.32 119.26 129.66 3ihh h ALA 92 Ca -0.29 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3ihh h ALA 92 Cb 1.11 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3ihh h ALA 92 CO 0.91 -0.57 -0.08 0.87 0.00 0.00 0.00 179.25 180.38 3ihh h LYS 93 N 0.30 0.00 0.00 0.00 1.79 -1.91 0.89 116.57 117.63 3ihh h LYS 93 Ca 0.72 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 59.11 3ihh h LYS 93 Cb 1.62 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.26 3ihh h LYS 93 CO -0.62 0.08 -0.35 1.49 -1.08 0.00 0.00 179.45 178.97 3ihh h GLU 94 N 0.00 0.00 0.11 3.15 4.57 -1.63 -2.15 114.58 118.63 3ihh h GLU 94 Ca -0.00 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.84 3ihh h GLU 94 Cb 0.20 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 3ihh h GLU 94 CO 0.01 0.35 -1.87 1.25 -1.18 0.00 0.00 179.01 177.57 3ihh h LEU 95 N 0.00 0.35 -1.00 1.64 5.85 -1.28 -3.37 115.31 117.49 3ihh h LEU 95 Ca -0.00 -0.72 0.06 0.00 0.84 0.00 0.00 57.88 58.06 3ihh h LEU 95 Cb 1.08 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 3ihh h LEU 95 CO 0.04 1.64 0.65 -1.28 -0.34 0.00 0.00 178.44 179.15 3ihh h SER 96 N 0.06 1.05 0.00 1.25 0.87 -0.77 -1.22 113.55 114.80 3ihh h SER 96 Ca -0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 3ihh h SER 96 Cb 2.04 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.77 3ihh h SER 96 CO 0.10 0.68 0.04 0.77 -0.53 0.00 0.00 176.83 177.90 3ihh h SER 97 N 1.20 0.00 -0.45 6.23 4.64 -1.55 0.18 113.55 123.81 3ihh h SER 97 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3ihh h SER 97 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3ihh h SER 97 CO -0.16 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.09 3ihh n LYS 98 N -2.48 2.06 -1.21 4.77 4.76 -0.46 -4.90 118.16 120.69 3ihh n LYS 98 Ca -0.02 -1.65 -0.03 0.00 -2.87 0.00 0.00 58.31 53.74 3ihh n LYS 98 Cb 0.08 -1.36 -0.01 0.00 -1.84 0.00 0.00 35.03 31.90 3ihh n LYS 98 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ihh n GLY 99 N 1.24 0.60 3.11 0.72 0.00 0.64 -5.02 105.19 106.48 3ihh n GLY 99 Ca 0.16 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 3ihh n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihh s VAL 100 N -2.14 2.68 -2.52 1.61 1.01 -1.19 -4.98 120.40 114.86 3ihh s VAL 100 Ca 0.00 -1.70 0.21 0.00 0.00 0.00 0.00 61.98 60.49 3ihh s VAL 100 Cb 0.00 -2.66 0.15 0.00 0.00 0.00 0.00 36.38 33.88 3ihh s VAL 100 CO 0.00 -0.24 1.14 0.54 0.00 0.00 0.00 175.10 176.54 3ihh n ARG 101 N 4.50 1.83 0.12 2.72 1.74 -1.26 -2.98 116.66 123.33 3ihh n ARG 101 Ca -0.09 -1.67 0.11 0.00 -0.77 0.00 0.00 57.85 55.42 3ihh n ARG 101 Cb 0.42 -1.39 0.47 0.00 -1.02 0.00 0.00 32.46 30.94 3ihh n ARG 101 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3ihh n ILE 102 N 1.08 0.90 0.78 0.55 -5.35 -1.26 -1.74 119.36 114.32 3ihh n ILE 102 Ca 0.12 0.30 0.08 0.00 -0.27 0.00 0.00 62.75 62.98 3ihh n ILE 102 Cb 0.51 -1.23 -0.04 0.00 -1.74 0.00 0.00 39.64 37.14 3ihh n ILE 102 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3ihh n TRP 103 N -2.14 0.00 -0.09 4.28 7.02 -1.26 -4.74 117.44 120.51 3ihh n TRP 103 Ca 0.02 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.41 3ihh n TRP 103 Cb 0.19 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.06 3ihh n TRP 103 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3ihh h ASP 104 N 1.07 0.37 -0.99 -0.99 3.32 -1.67 -2.20 116.42 115.32 3ihh h ASP 104 Ca 0.00 -0.05 0.16 0.00 0.02 0.00 0.00 57.03 57.16 3ihh h ASP 104 Cb 0.50 -0.09 -0.10 0.00 0.22 0.00 0.00 39.33 39.86 3ihh h ASP 104 CO 0.00 0.31 0.61 0.00 -1.72 0.00 0.00 179.24 178.43 3ihh h ALA 105 N 1.08 1.58 0.00 3.45 0.00 -1.85 -0.65 119.26 122.87 3ihh h ALA 105 Ca 0.11 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ihh h ALA 105 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ihh h ALA 105 CO -0.02 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.38 3ihh n ASN 106 N -4.72 0.34 -0.69 0.00 4.13 -0.85 -2.74 115.26 110.73 3ihh n ASN 106 Ca 0.21 0.56 0.07 0.00 1.68 0.00 0.00 54.58 57.11 3ihh n ASN 106 Cb 0.48 -0.64 0.12 0.00 -1.54 0.00 0.00 39.78 38.20 3ihh n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ihh n GLY 107 N 0.54 1.24 3.77 7.41 0.00 -0.30 -4.56 105.19 113.29 3ihh n GLY 107 Ca 0.04 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 3ihh n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ihh s SER 108 N -1.11 6.45 0.23 1.61 1.04 -0.90 -0.18 113.70 120.83 3ihh s SER 108 Ca 0.23 2.29 -0.11 0.00 0.48 0.00 0.00 55.95 58.84 3ihh s SER 108 Cb 0.14 -2.61 0.32 0.00 0.10 0.00 0.00 66.02 63.97 3ihh s SER 108 CO 0.19 -0.72 1.37 -1.14 0.98 0.00 0.00 173.24 173.91 3ihh n ARG 109 N -0.12 -0.14 -0.09 4.02 3.00 -1.26 -0.56 116.66 121.51 3ihh n ARG 109 Ca 0.05 1.36 -0.14 0.00 -0.00 0.00 0.00 57.85 59.12 3ihh n ARG 109 Cb 0.47 -2.03 -0.04 0.00 0.00 0.00 0.00 32.46 30.87 3ihh n ARG 109 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 3ihh h ASP 110 N 0.00 0.87 -0.08 6.15 5.19 -1.93 0.32 116.42 126.95 3ihh h ASP 110 Ca 0.37 -0.50 -0.05 0.00 -0.62 0.00 0.00 57.03 56.23 3ihh h ASP 110 Cb 0.59 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.85 3ihh h ASP 110 CO -0.89 1.20 -0.13 0.15 -3.12 0.00 0.00 179.24 176.45 3ihh h PHE 111 N 0.57 0.28 -0.71 4.55 3.57 -1.70 -2.03 116.94 121.48 3ihh h PHE 111 Ca 0.03 -0.10 0.06 0.00 3.53 0.00 0.00 57.97 61.50 3ihh h PHE 111 Cb 1.00 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.64 3ihh h PHE 111 CO 0.07 0.72 0.47 -0.07 -2.23 0.00 0.00 178.31 177.27 3ihh h LEU 112 N -0.24 0.66 -0.50 0.59 3.38 -0.77 -2.74 115.31 115.68 3ihh h LEU 112 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3ihh h LEU 112 Cb 0.70 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3ihh h LEU 112 CO 0.03 0.43 0.21 0.44 0.09 0.00 0.00 178.44 179.64 3ihh h ASP 113 N 0.75 0.68 0.07 -0.43 5.19 -0.71 -1.23 116.42 120.74 3ihh h ASP 113 Ca 0.30 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 3ihh h ASP 113 Cb 0.23 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.57 3ihh h ASP 113 CO -0.10 0.66 0.00 -1.54 -3.12 0.00 0.00 179.24 175.14 3ihh n SER 114 N -4.56 0.19 -0.70 6.45 3.41 -0.78 -1.38 113.62 116.25 3ihh n SER 114 Ca 0.02 0.58 0.10 0.00 -0.26 0.00 0.00 58.87 59.31 3ihh n SER 114 Cb 0.15 -0.61 0.06 0.00 -0.26 0.00 0.00 64.21 63.55 3ihh n SER 114 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ihh n LEU 115 N -1.75 2.43 -1.03 1.04 4.77 -0.85 -4.98 117.00 116.63 3ihh n LEU 115 Ca -0.00 -0.93 -0.09 0.00 -0.03 0.00 0.00 56.01 54.96 3ihh n LEU 115 Cb 0.03 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3ihh n LEU 115 CO 0.05 0.43 -0.10 0.61 -1.33 0.00 0.00 177.39 177.04 3ihh n GLY 116 N 1.16 0.03 2.75 -0.72 0.00 -0.48 -4.98 105.19 102.96 3ihh n GLY 116 Ca 0.11 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 3ihh n GLY 116 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ihh n PHE 117 N -3.99 3.04 0.30 1.61 3.72 -0.52 -4.78 117.46 116.84 3ihh n PHE 117 Ca -0.10 -2.69 0.18 0.00 -0.05 0.00 0.00 57.45 54.79 3ihh n PHE 117 Cb 0.58 -1.03 0.79 0.00 -0.94 0.00 0.00 39.48 38.87 3ihh n PHE 117 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ihh h SER 118 N 3.55 0.00 1.15 4.37 4.64 -1.84 -2.90 113.55 122.51 3ihh h SER 118 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3ihh h SER 118 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3ihh h SER 118 CO 1.20 0.00 -0.27 0.00 -0.87 0.00 0.00 176.83 176.89 3ihh n ALA 119 N -2.06 2.60 -1.87 5.18 0.00 -1.26 -4.89 120.51 118.22 3ihh n ALA 119 Ca -0.00 -0.13 -0.39 0.00 0.00 0.00 0.00 53.44 52.92 3ihh n ALA 119 Cb 0.24 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.30 3ihh n ALA 119 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ihh s ARG 120 N -3.11 4.64 0.39 0.00 0.52 -1.10 -5.03 118.95 115.26 3ihh s ARG 120 Ca 0.09 1.28 -0.25 0.00 -0.52 0.00 0.00 55.73 56.33 3ihh s ARG 120 Cb 0.13 -3.11 -0.09 0.00 0.52 0.00 0.00 34.95 32.40 3ihh s ARG 120 CO 0.65 0.46 1.11 1.14 0.02 0.00 0.00 175.30 178.68 3ihh s GLN 121 N -1.47 4.16 0.26 3.54 -2.07 -1.26 -4.96 119.66 117.87 3ihh s GLN 121 Ca 0.42 1.69 -0.30 0.00 -1.82 0.00 0.00 55.36 55.35 3ihh s GLN 121 Cb -0.22 -2.67 -0.14 0.00 -1.09 0.00 0.00 33.01 28.88 3ihh s GLN 121 CO 0.27 -0.18 1.24 -1.91 -1.32 0.00 0.00 175.29 173.38 3ihh n GLU 122 N 0.14 1.71 0.00 9.60 2.13 -1.26 -1.90 120.64 131.06 3ihh n GLU 122 Ca 0.04 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.47 3ihh n GLU 122 Cb 0.48 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.04 3ihh n GLU 122 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ihh n GLY 123 N 1.61 1.87 3.50 8.31 0.00 0.74 -4.91 105.19 116.31 3ihh n GLY 123 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3ihh n GLY 123 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ihh s ASP 124 N -1.51 6.22 0.00 1.61 -1.08 -0.80 0.14 116.67 121.25 3ihh s ASP 124 Ca 0.00 -0.85 0.28 0.00 -0.52 0.00 0.00 52.55 51.47 3ihh s ASP 124 Cb 0.00 -2.49 1.47 0.00 -1.46 0.00 0.00 42.92 40.44 3ihh s ASP 124 CO 0.00 -1.60 1.99 0.18 0.52 0.00 0.00 175.17 176.26 3ihh n LEU 125 N 8.46 0.00 0.00 -1.34 4.77 -0.75 -4.92 117.00 123.23 3ihh n LEU 125 Ca 0.03 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3ihh n LEU 125 Cb 0.48 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3ihh n LEU 125 CO 0.66 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3ihh n GLY 126 N 1.07 -1.41 2.34 -0.72 0.00 -1.26 -1.20 105.19 104.01 3ihh n GLY 126 Ca 0.14 -1.28 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 3ihh n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ihh n PRO 127 N -0.11 3.86 -0.02 1.61 -0.04 -1.26 -4.83 135.00 134.21 3ihh n PRO 127 Ca 0.00 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.04 3ihh n PRO 127 Cb 0.00 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 30.69 3ihh n PRO 127 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3ihh n VAL 128 N 3.25 0.00 -0.28 0.52 0.24 -1.26 -4.34 118.33 116.46 3ihh n VAL 128 Ca 0.76 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 63.07 3ihh n VAL 128 Cb 0.23 -1.96 0.08 0.00 -1.47 0.00 0.00 33.84 30.72 3ihh n VAL 128 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 3ihh h TYR 129 N -0.51 -0.55 -0.79 6.34 -1.99 -1.92 -0.57 116.97 116.99 3ihh h TYR 129 Ca 0.00 0.08 0.06 0.00 2.00 0.00 0.00 58.73 60.86 3ihh h TYR 129 Cb 0.00 0.36 -0.05 0.00 2.00 0.00 0.00 36.73 39.04 3ihh h TYR 129 CO 0.00 -0.36 0.52 0.78 -0.00 0.00 0.00 178.16 179.10 3ihh h GLY 130 N -0.02 1.09 0.57 3.88 0.00 -1.78 0.82 103.07 107.62 3ihh h GLY 130 Ca 0.36 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.26 3ihh h GLY 130 CO -0.82 0.27 -0.32 -2.75 0.00 0.00 0.00 176.54 172.91 3ihh h PHE 131 N 0.87 0.36 -0.54 5.60 3.57 -1.27 -2.99 116.94 122.53 3ihh h PHE 131 Ca 0.33 -0.18 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 3ihh h PHE 131 Cb 0.20 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 3ihh h PHE 131 CO -0.00 0.96 0.19 1.96 -2.23 0.00 0.00 178.31 179.19 3ihh h GLN 132 N -0.34 0.80 -0.61 1.11 1.08 -0.86 0.16 115.11 116.44 3ihh h GLN 132 Ca -0.03 -0.13 -0.09 0.00 -1.45 0.00 0.00 58.65 56.95 3ihh h GLN 132 Cb 1.03 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.31 3ihh h GLN 132 CO 0.06 0.68 0.04 -1.49 -0.95 0.00 0.00 178.83 177.17 3ihh h TRP 133 N 0.78 1.13 0.00 2.96 4.06 -0.93 -2.76 115.95 121.19 3ihh h TRP 133 Ca 0.18 -0.18 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3ihh h TRP 133 Cb 0.20 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.05 3ihh h TRP 133 CO 0.01 0.98 -0.94 0.54 -3.56 0.00 0.00 178.44 175.47 3ihh n ARG 134 N -4.23 0.80 -1.19 0.49 5.12 -1.13 -1.78 116.66 114.73 3ihh n ARG 134 Ca 0.03 -0.01 -0.01 0.00 -1.93 0.00 0.00 57.85 55.93 3ihh n ARG 134 Cb 0.32 -1.39 -0.02 0.00 -1.16 0.00 0.00 32.46 30.21 3ihh n ARG 134 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3ihh n HIS 135 N -1.49 0.00 -1.59 -1.55 8.25 0.54 -3.66 115.22 115.72 3ihh n HIS 135 Ca 0.03 -0.44 -0.54 0.00 -0.26 0.00 0.00 57.72 56.51 3ihh n HIS 135 Cb 0.30 0.12 -0.07 0.00 1.12 0.00 0.00 29.99 31.47 3ihh n HIS 135 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3ihh n PHE 136 N 0.25 1.40 0.00 4.41 -0.00 -0.95 -1.82 117.46 120.76 3ihh n PHE 136 Ca -0.07 0.73 0.00 0.00 -0.00 0.00 0.00 57.45 58.10 3ihh n PHE 136 Cb 0.92 -2.29 0.00 0.00 -0.00 0.00 0.00 39.48 38.10 3ihh n PHE 136 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ihh n GLY 137 N 2.53 1.54 3.80 7.13 0.00 -1.26 -0.05 105.19 118.89 3ihh n GLY 137 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 3ihh n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihh s ALA 138 N -2.42 2.60 -0.48 4.61 0.00 -0.76 -4.88 121.76 120.45 3ihh s ALA 138 Ca 0.00 0.23 -0.28 0.00 0.00 0.00 0.00 51.96 51.91 3ihh s ALA 138 Cb 0.00 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.93 3ihh s ALA 138 CO 0.00 -1.22 1.09 -2.00 0.00 0.00 0.00 175.76 173.63 3ihh s GLU 139 N -4.71 3.67 0.20 0.00 2.12 -1.26 -5.00 118.70 113.72 3ihh s GLU 139 Ca 0.61 0.46 -0.31 0.00 0.36 0.00 0.00 54.97 56.09 3ihh s GLU 139 Cb -0.15 -3.92 -0.09 0.00 0.26 0.00 0.00 34.13 30.22 3ihh s GLU 139 CO 0.50 -1.36 1.43 -0.47 -0.54 0.00 0.00 175.26 174.81 3ihh s TYR 140 N 4.32 3.12 0.00 5.30 5.04 -1.26 -4.93 117.35 128.94 3ihh s TYR 140 Ca 0.45 0.97 0.00 0.00 -2.44 0.00 0.00 57.07 56.06 3ihh s TYR 140 Cb -0.08 -3.77 0.00 0.00 0.35 0.00 0.00 41.96 38.46 3ihh s TYR 140 CO 0.31 -2.60 0.00 1.63 -1.34 0.00 0.00 175.55 173.54 3ihh n LYS 141 N 3.02 0.00 -3.83 4.97 5.02 -1.26 -5.11 118.16 120.96 3ihh n LYS 141 Ca 0.09 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.22 3ihh n LYS 141 Cb 0.41 -0.03 -0.05 0.00 -0.02 0.00 0.00 35.03 35.34 3ihh n LYS 141 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3ihh n ASP 142 N -1.42 -0.81 0.13 4.39 5.68 -1.26 -5.02 116.55 118.24 3ihh n ASP 142 Ca 0.00 -2.80 0.12 0.00 -0.50 0.00 0.00 54.79 51.61 3ihh n ASP 142 Cb 0.00 1.70 0.49 0.00 -1.14 0.00 0.00 41.12 42.17 3ihh n ASP 142 CO 0.00 0.00 0.00 1.15 -1.33 0.00 0.00 177.20 177.02 3ihh n MET 143 N -0.53 0.21 0.00 0.11 0.00 -1.26 -2.30 117.12 113.35 3ihh n MET 143 Ca 0.05 0.40 0.11 0.00 0.00 0.00 0.00 57.70 58.26 3ihh n MET 143 Cb 0.52 -1.88 0.09 0.00 0.00 0.00 0.00 33.22 31.95 3ihh n MET 143 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3ihh n ASP 144 N -2.27 1.43 -4.79 3.17 8.00 -1.26 -4.78 116.55 116.05 3ihh n ASP 144 Ca 0.02 -1.14 -0.33 0.00 0.71 0.00 0.00 54.79 54.06 3ihh n ASP 144 Cb 0.26 0.47 0.03 0.00 -0.02 0.00 0.00 41.12 41.86 3ihh n ASP 144 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3ihh s SER 145 N -2.64 5.41 -0.44 -2.24 0.01 -0.97 -5.00 113.70 107.83 3ihh s SER 145 Ca 0.17 1.89 -0.15 0.00 1.31 0.00 0.00 55.95 59.17 3ihh s SER 145 Cb 0.18 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.91 3ihh s SER 145 CO 0.63 -1.42 0.35 -0.62 0.41 0.00 0.00 173.24 172.59 3ihh s ASP 146 N -2.77 6.13 -0.13 2.44 2.15 -1.26 -4.93 116.67 118.31 3ihh s ASP 146 Ca 0.65 -1.06 0.17 0.00 0.43 0.00 0.00 52.55 52.74 3ihh s ASP 146 Cb -0.18 -2.17 0.72 0.00 -0.30 0.00 0.00 42.92 40.98 3ihh s ASP 146 CO 0.41 -0.54 1.62 -1.22 -0.17 0.00 0.00 175.17 175.26 3ihh n TYR 147 N 5.21 1.54 -1.86 -5.34 4.01 -1.26 -4.99 117.16 114.48 3ihh n TYR 147 Ca -0.11 -0.60 -0.41 0.00 -0.16 0.00 0.00 57.90 56.62 3ihh n TYR 147 Cb 0.46 -0.28 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 3ihh n TYR 147 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3ihh s SER 148 N -0.86 6.47 0.00 7.72 1.04 -1.26 -0.47 113.70 126.34 3ihh s SER 148 Ca 0.50 2.85 0.00 0.00 0.48 0.00 0.00 55.95 59.78 3ihh s SER 148 Cb 0.33 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.82 3ihh s SER 148 CO 0.23 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.22 3ihh n GLY 149 N 2.22 2.12 3.82 7.32 0.00 -1.26 -5.00 105.19 114.41 3ihh n GLY 149 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3ihh n GLY 149 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ihh s GLN 150 N -0.04 3.96 0.12 1.61 -0.21 0.38 -4.97 119.66 120.51 3ihh s GLN 150 Ca 0.00 0.37 0.00 0.00 0.02 0.00 0.00 55.36 55.75 3ihh s GLN 150 Cb 0.00 -3.26 0.00 0.00 1.00 0.00 0.00 33.01 30.75 3ihh s GLN 150 CO 0.00 0.61 0.00 0.41 -2.12 0.00 0.00 175.29 174.19 3ihh n GLY 151 N 2.09 -2.44 3.63 3.09 0.00 -1.26 -4.45 105.19 105.85 3ihh n GLY 151 Ca -0.13 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 3ihh n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihh s VAL 152 N -0.86 5.08 -1.16 1.61 1.01 0.93 -4.76 120.40 122.24 3ihh s VAL 152 Ca 0.00 0.92 -0.20 0.00 0.00 0.00 0.00 61.98 62.70 3ihh s VAL 152 Cb 0.00 -3.84 0.07 0.00 0.00 0.00 0.00 36.38 32.61 3ihh s VAL 152 CO 0.00 0.11 1.58 -0.62 0.00 0.00 0.00 175.10 176.18 3ihh s ASP 153 N 1.40 6.69 0.22 3.32 -1.08 -1.24 -2.23 116.67 123.74 3ihh s ASP 153 Ca 0.22 -2.00 -0.04 0.00 -0.52 0.00 0.00 52.55 50.22 3ihh s ASP 153 Cb -0.16 -2.56 0.20 0.00 -1.46 0.00 0.00 42.92 38.94 3ihh s ASP 153 CO 0.09 -1.31 1.63 1.56 0.52 0.00 0.00 175.17 177.66 3ihh h GLN 154 N 8.60 0.73 0.08 4.34 4.20 -1.61 -1.02 115.11 130.42 3ihh h GLN 154 Ca 0.32 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3ihh h GLN 154 Cb 0.94 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.69 3ihh h GLN 154 CO 1.43 0.91 -0.04 1.25 -0.67 0.00 0.00 178.83 181.71 3ihh h LEU 155 N 0.63 -0.09 -0.87 1.46 5.85 -1.78 0.36 115.31 120.88 3ihh h LEU 155 Ca 0.08 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 3ihh h LEU 155 Cb 0.76 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3ihh h LEU 155 CO 0.06 0.03 -0.36 -0.61 -0.34 0.00 0.00 178.44 177.22 3ihh h GLN 156 N -0.20 0.39 -0.76 1.25 5.75 -1.83 -2.54 115.11 117.17 3ihh h GLN 156 Ca -0.01 -0.18 -0.05 0.00 -0.15 0.00 0.00 58.65 58.26 3ihh h GLN 156 Cb 0.17 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 3ihh h GLN 156 CO 0.02 0.71 0.26 0.87 -2.65 0.00 0.00 178.83 178.03 3ihh h LYS 157 N 0.34 1.16 -0.88 1.69 1.57 -0.60 0.62 116.57 120.47 3ihh h LYS 157 Ca 0.04 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 3ihh h LYS 157 Cb 0.80 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.89 3ihh h LYS 157 CO 0.06 0.97 0.52 -0.39 -0.57 0.00 0.00 179.45 180.05 3ihh h VAL 158 N 1.12 1.25 -0.13 0.50 -1.51 -0.00 -0.93 116.25 116.53 3ihh h VAL 158 Ca 0.25 -0.56 -0.02 0.00 -1.23 0.00 0.00 66.70 65.14 3ihh h VAL 158 Cb 0.28 0.02 -0.00 0.00 -2.13 0.00 0.00 31.29 29.46 3ihh h VAL 158 CO -0.01 0.26 0.01 0.40 -1.23 0.00 0.00 177.57 177.00 3ihh h ILE 159 N 1.21 1.24 -0.57 7.19 2.04 -0.93 -1.33 117.51 126.36 3ihh h ILE 159 Ca 0.31 -0.78 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 3ihh h ILE 159 Cb -0.03 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3ihh h ILE 159 CO -0.06 0.23 0.10 0.44 0.00 0.00 0.00 178.15 178.86 3ihh h ASP 160 N -0.02 0.87 -0.39 1.72 3.32 -0.83 -2.74 116.42 118.36 3ihh h ASP 160 Ca 0.04 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 3ihh h ASP 160 Cb 0.34 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3ihh h ASP 160 CO 0.01 0.87 0.09 0.74 -1.72 0.00 0.00 179.24 179.23 3ihh h THR 161 N 0.87 1.23 -0.94 0.35 2.02 -0.99 -1.03 112.91 114.42 3ihh h THR 161 Ca 0.18 -0.79 0.23 0.00 0.77 0.00 0.00 66.41 66.79 3ihh h THR 161 Cb 0.38 1.01 -0.12 0.00 -1.74 0.00 0.00 68.15 67.68 3ihh h THR 161 CO 0.01 0.27 0.48 0.40 0.37 0.00 0.00 175.52 177.05 3ihh h ILE 162 N 0.48 0.51 -0.06 3.11 2.04 -1.19 0.37 117.51 122.76 3ihh h ILE 162 Ca 0.12 -0.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.72 3ihh h ILE 162 Cb 0.32 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3ihh h ILE 162 CO 0.00 0.09 -0.34 0.11 0.00 0.00 0.00 178.15 178.01 3ihh h LYS 163 N 0.49 0.34 0.05 2.37 1.57 -1.08 -3.26 116.57 117.05 3ihh h LYS 163 Ca 0.59 -0.29 -0.36 0.00 -1.87 0.00 0.00 60.65 58.73 3ihh h LYS 163 Cb 1.12 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.45 3ihh h LYS 163 CO -0.50 0.93 -2.12 0.25 -0.57 0.00 0.00 179.45 177.44 3ihh n THR 164 N -4.41 1.63 -3.13 -0.16 -2.24 -0.45 -4.69 114.28 100.83 3ihh n THR 164 Ca -0.08 -0.68 -0.20 0.00 -2.27 0.00 0.00 64.05 60.81 3ihh n THR 164 Cb 0.52 -1.37 -0.03 0.00 -2.10 0.00 0.00 70.33 67.34 3ihh n THR 164 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ihh n ASN 165 N -3.26 1.71 0.33 3.42 5.15 0.13 -4.98 115.26 117.76 3ihh n ASN 165 Ca -0.33 -3.17 0.21 0.00 -0.60 0.00 0.00 54.58 50.70 3ihh n ASN 165 Cb 1.05 -0.61 1.14 0.00 -0.53 0.00 0.00 39.78 40.83 3ihh n ASN 165 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3ihh h PRO 166 N 3.03 0.00 0.00 1.20 0.13 -1.58 0.17 132.00 134.94 3ihh h PRO 166 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3ihh h PRO 166 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3ihh h PRO 166 CO 0.58 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.10 3ihh n ASP 167 N -3.00 0.00 -4.76 1.44 8.00 -1.26 -3.68 116.55 113.29 3ihh n ASP 167 Ca -0.03 -0.22 -0.41 0.00 0.71 0.00 0.00 54.79 54.84 3ihh n ASP 167 Cb 0.11 -0.24 -0.01 0.00 -0.02 0.00 0.00 41.12 40.95 3ihh n ASP 167 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ihh s ASP 168 N -2.49 6.41 -0.10 -2.24 2.15 0.05 -4.90 116.67 115.55 3ihh s ASP 168 Ca 0.29 2.94 0.17 0.00 0.43 0.00 0.00 52.55 56.38 3ihh s ASP 168 Cb 0.19 -2.65 0.63 0.00 -0.30 0.00 0.00 42.92 40.79 3ihh s ASP 168 CO 0.41 -0.85 1.54 0.54 -0.17 0.00 0.00 175.17 176.64 3ihh n ARG 169 N 1.47 3.46 -0.35 4.34 1.74 -1.26 -4.34 116.66 121.71 3ihh n ARG 169 Ca 0.05 -2.74 0.07 0.00 -0.77 0.00 0.00 57.85 54.46 3ihh n ARG 169 Cb 0.39 -1.77 0.13 0.00 -1.02 0.00 0.00 32.46 30.18 3ihh n ARG 169 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ihh n ARG 170 N 0.83 1.11 -2.75 5.56 3.00 -1.26 -4.97 116.66 118.17 3ihh n ARG 170 Ca 0.23 -2.52 -0.43 0.00 -0.01 0.00 0.00 57.85 55.12 3ihh n ARG 170 Cb 0.81 -1.30 -0.01 0.00 0.00 0.00 0.00 32.46 31.95 3ihh n ARG 170 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3ihh s ILE 171 N -2.41 4.49 0.07 0.55 1.01 -1.26 -4.93 121.20 118.71 3ihh s ILE 171 Ca 0.29 -1.92 0.07 0.00 0.00 0.00 0.00 60.65 59.10 3ihh s ILE 171 Cb 0.27 -5.02 -0.03 0.00 0.01 0.00 0.00 42.46 37.70 3ihh s ILE 171 CO -0.01 -1.80 -0.19 -0.63 0.00 0.00 0.00 174.94 172.31 3ihh s ILE 172 N 3.23 1.55 -0.11 2.92 1.01 -1.26 -0.71 121.20 127.83 3ihh s ILE 172 Ca 0.46 -1.30 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 3ihh s ILE 172 Cb -0.00 -1.39 0.03 0.00 0.01 0.00 0.00 42.46 41.10 3ihh s ILE 172 CO -0.00 0.04 -0.07 -0.32 0.00 0.00 0.00 174.94 174.59 3ihh s MET 173 N -1.48 1.40 -0.15 2.79 -2.45 -0.07 -4.87 119.30 114.47 3ihh s MET 173 Ca 0.05 -0.20 0.01 0.00 -1.25 0.00 0.00 55.69 54.29 3ihh s MET 173 Cb -0.09 -1.50 0.00 0.00 1.25 0.00 0.00 34.83 34.49 3ihh s MET 173 CO 0.03 -0.27 -0.16 0.00 1.05 0.00 0.00 175.02 175.66 3ihh n ALA 175 N 4.10 2.75 -2.45 0.00 0.00 0.47 -4.71 120.51 120.66 3ihh n ALA 175 Ca -0.19 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.29 3ihh n ALA 175 Cb 0.52 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 3ihh n ALA 175 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3ihh s TRP 176 N -3.45 2.45 -0.42 0.00 -0.11 -0.68 -4.87 118.94 111.86 3ihh s TRP 176 Ca -0.08 0.55 0.04 0.00 1.22 0.00 0.00 56.10 57.82 3ihh s TRP 176 Cb 0.13 -4.41 0.11 0.00 -1.50 0.00 0.00 33.47 27.81 3ihh s TRP 176 CO 0.88 -1.80 0.15 1.21 -4.62 0.00 0.00 176.95 172.78 3ihh s ASN 177 N 3.74 4.51 0.48 5.86 3.84 -1.26 -4.99 114.94 127.12 3ihh s ASN 177 Ca 0.52 -2.54 0.29 0.00 0.21 0.00 0.00 52.86 51.34 3ihh s ASN 177 Cb -0.10 -1.59 1.37 0.00 -0.55 0.00 0.00 41.25 40.37 3ihh s ASN 177 CO 0.28 -0.31 1.80 -0.65 -2.79 0.00 0.00 177.10 175.43 3ihh h PRO 178 N 7.10 0.15 -0.28 0.43 0.11 -2.00 -1.12 132.00 136.39 3ihh h PRO 178 Ca -0.06 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.92 3ihh h PRO 178 Cb 0.96 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3ihh h PRO 178 CO 0.59 0.10 -0.28 -0.22 -0.21 0.00 0.00 178.00 177.98 3ihh h LYS 179 N 0.16 0.69 0.00 1.05 3.64 -2.02 -3.24 116.57 116.85 3ihh h LYS 179 Ca 0.57 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3ihh h LYS 179 Cb 1.92 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 3ihh h LYS 179 CO -0.13 0.98 -0.31 -0.25 -2.27 0.00 0.00 179.45 177.47 3ihh n ASP 180 N -4.28 0.42 -0.25 4.20 8.00 -0.50 -4.36 116.55 119.78 3ihh n ASP 180 Ca -0.04 0.16 0.06 0.00 0.71 0.00 0.00 54.79 55.68 3ihh n ASP 180 Cb 0.47 -0.13 0.17 0.00 -0.02 0.00 0.00 41.12 41.61 3ihh n ASP 180 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3ihh h LEU 181 N 0.00 -0.20 -2.15 0.64 4.07 -1.37 -0.49 115.31 115.80 3ihh h LEU 181 Ca 0.00 0.18 0.00 0.00 0.08 0.00 0.00 57.88 58.14 3ihh h LEU 181 Cb 0.58 0.29 0.00 0.00 1.08 0.00 0.00 40.66 42.60 3ihh h LEU 181 CO 0.00 -0.13 0.00 -0.65 -1.08 0.00 0.00 178.44 176.58 3ihh h PRO 182 N 0.16 0.00 0.00 1.13 0.11 -1.81 -2.14 132.00 129.45 3ihh h PRO 182 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 3ihh h PRO 182 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3ihh h PRO 182 CO -0.61 0.00 -0.93 1.28 -0.21 0.00 0.00 178.00 177.53 3ihh n LEU 183 N -2.86 0.82 -4.86 2.35 4.77 -0.21 -4.94 117.00 112.08 3ihh n LEU 183 Ca -0.01 -0.34 -0.32 0.00 -0.03 0.00 0.00 56.01 55.31 3ihh n LEU 183 Cb 0.13 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 3ihh n LEU 183 CO 0.20 0.20 0.44 -0.04 -1.33 0.00 0.00 177.39 176.85 3ihh s MET 184 N -3.03 3.94 0.22 3.23 -1.94 -0.81 -4.22 119.30 116.70 3ihh s MET 184 Ca 0.08 0.63 -0.06 0.00 -1.71 0.00 0.00 55.69 54.63 3ihh s MET 184 Cb 0.16 -2.41 0.21 0.00 2.01 0.00 0.00 34.83 34.80 3ihh s MET 184 CO 0.83 0.09 1.72 0.00 -0.01 0.00 0.00 175.02 177.65 3ihh h ALA 185 N 1.93 1.00 -3.46 3.03 0.00 -1.48 -3.44 119.26 116.84 3ihh h ALA 185 Ca -0.48 -0.27 -0.22 0.00 0.00 0.00 0.00 54.91 53.95 3ihh h ALA 185 Cb 1.18 -0.23 -0.25 0.00 0.00 0.00 0.00 17.79 18.49 3ihh h ALA 185 CO 0.65 0.63 -0.72 -0.51 0.00 0.00 0.00 179.25 179.30 3ihh s LEU 186 N -9.34 2.10 0.31 0.00 1.43 -1.26 -5.07 118.68 106.85 3ihh s LEU 186 Ca -0.11 -0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 52.50 3ihh s LEU 186 Cb 0.15 0.00 -0.09 0.00 0.03 0.00 0.00 46.19 46.27 3ihh s LEU 186 CO 0.83 -0.11 1.12 -2.16 0.23 0.00 0.00 176.35 176.26 3ihh s PRO 187 N -0.59 4.48 0.32 1.29 0.04 -1.26 -4.96 135.00 134.33 3ihh s PRO 187 Ca -0.06 1.80 -0.29 0.00 0.04 0.00 0.00 61.00 62.50 3ihh s PRO 187 Cb -0.04 -3.03 -0.10 0.00 0.04 0.00 0.00 34.50 31.37 3ihh s PRO 187 CO -0.00 0.07 1.35 -2.14 0.04 0.00 0.00 177.00 176.31 3ihh s PRO 188 N -1.72 4.32 0.02 0.56 0.02 -1.26 -4.92 135.00 132.01 3ihh s PRO 188 Ca 0.48 2.27 0.05 0.00 0.02 0.00 0.00 61.00 63.82 3ihh s PRO 188 Cb -0.31 -3.07 -0.24 0.00 0.02 0.00 0.00 34.50 30.90 3ihh s PRO 188 CO 0.40 -0.26 0.89 0.00 -0.33 0.00 0.00 177.00 177.70 3ihh s HIS 190 N -2.63 3.32 0.09 0.00 3.76 -1.26 -1.22 115.29 117.35 3ihh s HIS 190 Ca -0.05 -1.76 -0.18 0.00 -0.15 0.00 0.00 55.06 52.92 3ihh s HIS 190 Cb 0.08 -4.29 -0.07 0.00 1.11 0.00 0.00 32.58 29.42 3ihh s HIS 190 CO 0.83 -1.43 1.57 0.00 -0.85 0.00 0.00 174.74 174.86 3ihh h ALA 191 N 8.02 0.36 -2.90 -1.40 0.00 -1.56 -3.41 119.26 118.36 3ihh h ALA 191 Ca 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3ihh h ALA 191 Cb 0.95 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.54 3ihh h ALA 191 CO 1.16 0.04 0.09 -0.48 0.00 0.00 0.00 179.25 180.06 3ihh s LEU 192 N -9.61 -0.09 0.06 0.00 0.05 -1.24 -0.39 118.68 107.46 3ihh s LEU 192 Ca -0.14 -0.34 0.01 0.00 0.05 0.00 0.00 54.13 53.72 3ihh s LEU 192 Cb 0.08 2.29 -0.03 0.00 -2.05 0.00 0.00 46.19 46.47 3ihh s LEU 192 CO 0.74 -1.04 -0.06 0.00 -0.55 0.00 0.00 176.35 175.44 3ihh s GLN 194 N -2.71 0.89 0.31 0.00 0.74 -0.46 -0.89 119.66 117.54 3ihh s GLN 194 Ca -0.00 -0.48 0.08 0.00 0.05 0.00 0.00 55.36 55.01 3ihh s GLN 194 Cb -0.02 -0.86 -0.04 0.00 1.10 0.00 0.00 33.01 33.19 3ihh s GLN 194 CO -0.03 0.23 0.13 -0.06 -0.55 0.00 0.00 175.29 175.01 3ihh s PHE 195 N -0.41 2.79 -0.16 1.67 0.08 0.12 -0.72 117.98 121.34 3ihh s PHE 195 Ca 0.03 -0.29 -0.15 0.00 0.12 0.00 0.00 56.93 56.64 3ihh s PHE 195 Cb -0.05 -1.52 0.04 0.00 -0.57 0.00 0.00 43.02 40.92 3ihh s PHE 195 CO -0.00 0.41 0.43 -0.47 -0.10 0.00 0.00 175.22 175.49 3ihh s TYR 196 N -2.34 -0.46 -0.07 0.36 6.14 -0.26 -4.50 117.35 116.21 3ihh s TYR 196 Ca 0.36 1.12 0.03 0.00 0.64 0.00 0.00 57.07 59.22 3ihh s TYR 196 Cb -0.05 0.16 0.01 0.00 0.42 0.00 0.00 41.96 42.50 3ihh s TYR 196 CO 0.23 -0.23 -0.15 0.08 0.64 0.00 0.00 175.55 176.11 3ihh s VAL 197 N 0.17 1.37 -0.06 3.14 1.01 -1.24 -0.78 120.40 124.01 3ihh s VAL 197 Ca -0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 3ihh s VAL 197 Cb -0.03 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.15 3ihh s VAL 197 CO 0.01 0.41 0.25 0.54 0.00 0.00 0.00 175.10 176.30 3ihh s VAL 198 N 0.51 0.03 -1.46 2.92 0.11 -0.80 -4.70 120.40 117.01 3ihh s VAL 198 Ca -0.14 -0.21 -0.08 0.00 -2.93 0.00 0.00 61.98 58.62 3ihh s VAL 198 Cb -0.16 -0.42 0.03 0.00 -1.53 0.00 0.00 36.38 34.30 3ihh s VAL 198 CO 0.05 -0.11 0.86 0.59 -3.33 0.00 0.00 175.10 173.15 3ihh n ASN 199 N 2.37 -5.75 -1.08 3.54 4.13 -1.26 -0.94 115.26 116.27 3ihh n ASN 199 Ca -0.16 -0.47 -0.14 0.00 1.68 0.00 0.00 54.58 55.49 3ihh n ASN 199 Cb 0.57 -4.60 -0.06 0.00 -1.54 0.00 0.00 39.78 34.16 3ihh n ASN 199 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ihh n GLY 200 N -1.68 1.40 3.46 7.41 0.00 -1.26 -4.99 105.19 109.52 3ihh n GLY 200 Ca -0.03 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3ihh n GLY 200 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ihh s GLU 201 N -3.14 2.62 -0.23 1.61 2.02 -0.12 -1.84 118.70 119.64 3ihh s GLU 201 Ca 0.00 -0.70 -0.09 0.00 0.02 0.00 0.00 54.97 54.20 3ihh s GLU 201 Cb 0.00 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 3ihh s GLU 201 CO 0.00 0.57 0.12 -1.17 0.02 0.00 0.00 175.26 174.79 3ihh s LEU 202 N -0.58 3.90 0.33 1.80 2.96 0.45 -1.90 118.68 125.64 3ihh s LEU 202 Ca 0.08 0.04 0.09 0.00 -0.22 0.00 0.00 54.13 54.12 3ihh s LEU 202 Cb -0.11 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 3ihh s LEU 202 CO 0.01 0.07 0.05 -0.44 -1.32 0.00 0.00 176.35 174.73 3ihh s SER 203 N 0.99 4.42 -0.00 3.68 0.01 0.04 0.38 113.70 123.23 3ihh s SER 203 Ca 0.06 -0.85 -0.00 0.00 1.31 0.00 0.00 55.95 56.47 3ihh s SER 203 Cb -0.14 -0.66 0.00 0.00 0.21 0.00 0.00 66.02 65.44 3ihh s SER 203 CO 0.04 -0.21 0.01 0.00 0.41 0.00 0.00 173.24 173.48 3ihh s GLN 205 N 0.08 2.96 -0.16 0.00 0.74 0.10 -0.11 119.66 123.27 3ihh s GLN 205 Ca -0.01 -0.80 -0.04 0.00 0.05 0.00 0.00 55.36 54.57 3ihh s GLN 205 Cb -0.01 -2.38 -0.03 0.00 1.10 0.00 0.00 33.01 31.69 3ihh s GLN 205 CO -0.00 0.31 -0.03 -1.17 -0.55 0.00 0.00 175.29 173.84 3ihh s LEU 206 N 0.06 3.29 -0.52 3.68 2.96 -0.28 -1.35 118.68 126.52 3ihh s LEU 206 Ca -0.08 -0.11 -0.17 0.00 -0.22 0.00 0.00 54.13 53.55 3ihh s LEU 206 Cb -0.15 -1.79 0.10 0.00 0.50 0.00 0.00 46.19 44.85 3ihh s LEU 206 CO 0.05 0.17 0.51 -0.47 -1.32 0.00 0.00 176.35 175.30 3ihh s TYR 207 N 0.34 3.19 -0.30 5.38 5.04 -0.16 -1.02 117.35 129.80 3ihh s TYR 207 Ca -0.04 -1.06 -0.10 0.00 -2.44 0.00 0.00 57.07 53.44 3ihh s TYR 207 Cb -0.14 -3.62 -0.02 0.00 0.35 0.00 0.00 41.96 38.53 3ihh s TYR 207 CO 0.03 -1.00 0.16 -1.14 -1.34 0.00 0.00 175.55 172.26 3ihh s GLN 208 N 1.88 3.50 0.47 4.97 0.74 0.42 -1.71 119.66 129.93 3ihh s GLN 208 Ca 0.06 -0.61 0.27 0.00 0.05 0.00 0.00 55.36 55.12 3ihh s GLN 208 Cb -0.26 -3.59 0.93 0.00 1.10 0.00 0.00 33.01 31.19 3ihh s GLN 208 CO 0.05 -0.35 1.82 0.07 -0.55 0.00 0.00 175.29 176.33 3ihh h ARG 209 N 8.36 0.00 -2.66 1.67 0.11 -1.44 0.33 114.38 120.74 3ihh h ARG 209 Ca -0.33 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.63 3ihh h ARG 209 Cb 1.16 0.00 -0.27 0.00 1.11 0.00 0.00 29.97 31.97 3ihh h ARG 209 CO 0.60 0.13 -0.31 0.45 0.10 0.00 0.00 179.97 180.95 3ihh s SER 210 N -6.04 -0.50 -0.11 0.08 0.15 -1.26 -1.73 113.70 104.29 3ihh s SER 210 Ca 0.02 0.87 -0.02 0.00 0.70 0.00 0.00 55.95 57.52 3ihh s SER 210 Cb 0.09 0.75 0.04 0.00 -1.71 0.00 0.00 66.02 65.19 3ihh s SER 210 CO 0.62 -0.19 0.03 -0.83 1.20 0.00 0.00 173.24 174.06 3ihh s GLY 211 N 1.40 0.49 -0.48 9.45 0.00 -0.60 -4.94 107.32 112.63 3ihh s GLY 211 Ca -0.10 -0.25 -0.26 0.00 0.00 0.00 0.00 44.72 44.12 3ihh s GLY 211 CO -0.13 1.31 0.96 -0.35 0.00 0.00 0.00 173.10 174.90 3ihh s ASP 212 N 1.99 6.49 0.26 1.64 2.15 -1.26 -0.77 116.67 127.16 3ihh s ASP 212 Ca 0.03 0.08 0.08 0.00 0.43 0.00 0.00 52.55 53.18 3ihh s ASP 212 Cb -0.14 -2.46 0.31 0.00 -0.30 0.00 0.00 42.92 40.33 3ihh s ASP 212 CO -0.06 -1.11 1.59 0.24 -0.17 0.00 0.00 175.17 175.65 3ihh h MET 213 N 9.15 0.10 0.17 4.34 2.86 -1.64 -0.05 114.93 129.85 3ihh h MET 213 Ca -0.24 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 3ihh h MET 213 Cb 1.07 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.75 3ihh h MET 213 CO 1.05 0.68 -0.08 0.78 1.06 0.00 0.00 176.91 180.40 3ihh h GLY 214 N 1.70 -0.24 0.00 8.32 0.00 -1.92 -3.40 103.07 107.53 3ihh h GLY 214 Ca -0.01 0.09 -0.26 0.00 0.00 0.00 0.00 47.33 47.15 3ihh h GLY 214 CO 0.09 -0.09 -1.97 1.04 0.00 0.00 0.00 176.54 175.61 3ihh n LEU 215 N -5.01 2.94 -0.12 3.11 4.77 -1.19 -4.82 117.00 116.67 3ihh n LEU 215 Ca -0.09 -0.09 -0.26 0.00 -0.03 0.00 0.00 56.01 55.54 3ihh n LEU 215 Cb 0.24 -0.58 -0.11 0.00 -2.33 0.00 0.00 43.42 40.64 3ihh n LEU 215 CO 0.31 0.78 -1.02 0.61 -1.33 0.00 0.00 177.39 176.74 3ihh n GLY 216 N 2.68 -0.62 0.36 -0.72 0.00 -0.13 -4.55 105.19 102.20 3ihh n GLY 216 Ca -0.30 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 45.71 3ihh n GLY 216 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ihh h VAL 217 N -0.93 1.08 -0.53 1.61 2.07 -1.52 -1.61 116.25 116.42 3ihh h VAL 217 Ca -0.54 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 3ihh h VAL 217 Cb 1.51 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3ihh h VAL 217 CO -0.30 0.21 0.18 -0.65 0.02 0.00 0.00 177.57 177.02 3ihh h PRO 218 N 1.14 0.79 -0.37 1.57 0.11 -1.81 0.13 132.00 133.57 3ihh h PRO 218 Ca 0.42 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 3ihh h PRO 218 Cb 0.16 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 3ihh h PRO 218 CO -0.17 0.68 0.19 0.35 -0.21 0.00 0.00 178.00 178.84 3ihh h PHE 219 N 0.77 0.51 -0.75 0.65 3.04 -1.57 -3.02 116.94 116.57 3ihh h PHE 219 Ca 0.18 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 3ihh h PHE 219 Cb 0.21 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 38.52 3ihh h PHE 219 CO 0.01 0.42 0.42 -0.91 -2.02 0.00 0.00 178.31 176.22 3ihh h ASN 220 N 0.46 0.94 -0.25 0.41 -0.26 -0.42 -0.67 115.58 115.80 3ihh h ASN 220 Ca 0.13 -0.10 0.01 0.00 -0.56 0.00 0.00 56.30 55.78 3ihh h ASN 220 Cb 0.08 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.09 3ihh h ASN 220 CO -0.02 0.77 0.14 0.40 -1.06 0.00 0.00 177.43 177.66 3ihh h ILE 221 N 1.04 1.02 -0.71 2.81 2.04 -0.73 -1.97 117.51 121.01 3ihh h ILE 221 Ca 0.27 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 3ihh h ILE 221 Cb 0.03 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3ihh h ILE 221 CO -0.04 0.05 0.36 0.00 0.00 0.00 0.00 178.15 178.52 3ihh h ALA 222 N 1.12 0.91 -0.19 1.87 0.00 -1.30 -1.02 119.26 120.64 3ihh h ALA 222 Ca 0.10 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ihh h ALA 222 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3ihh h ALA 222 CO -0.05 0.45 0.02 0.77 0.00 0.00 0.00 179.25 180.44 3ihh h SER 223 N 0.98 -0.03 0.82 0.00 0.02 -0.79 0.84 113.55 115.39 3ihh h SER 223 Ca 0.25 0.04 -0.20 0.00 -0.84 0.00 0.00 61.79 61.03 3ihh h SER 223 Cb 0.08 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3ihh h SER 223 CO -0.03 0.01 -0.93 1.88 -1.14 0.00 0.00 176.83 176.62 3ihh h TYR 224 N 0.09 0.10 -0.80 3.45 -1.99 -1.18 -1.24 116.97 115.40 3ihh h TYR 224 Ca 0.09 -0.06 0.01 0.00 2.00 0.00 0.00 58.73 60.77 3ihh h TYR 224 Cb 0.10 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 38.78 3ihh h TYR 224 CO -0.16 0.95 0.53 0.00 -0.00 0.00 0.00 178.16 179.48 3ihh h ALA 225 N 1.03 1.02 0.10 3.88 0.00 -1.12 -1.98 119.26 122.19 3ihh h ALA 225 Ca -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ihh h ALA 225 Cb 1.62 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3ihh h ALA 225 CO 0.13 0.41 -0.05 1.25 0.00 0.00 0.00 179.25 180.98 3ihh h LEU 226 N 1.07 -0.12 -0.75 0.00 5.85 -0.52 -1.63 115.31 119.21 3ihh h LEU 226 Ca 0.30 -0.04 0.16 0.00 0.84 0.00 0.00 57.88 59.14 3ihh h LEU 226 Cb -0.10 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 40.86 3ihh h LEU 226 CO -0.07 -0.04 0.24 0.25 -0.34 0.00 0.00 178.44 178.48 3ihh h LEU 227 N -0.19 0.13 -0.74 2.25 5.85 -1.12 -1.40 115.31 120.10 3ihh h LEU 227 Ca -0.01 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 3ihh h LEU 227 Cb 0.15 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3ihh h LEU 227 CO 0.02 0.02 0.22 0.74 -0.34 0.00 0.00 178.44 179.10 3ihh h THR 228 N 0.34 1.26 -0.37 1.05 2.02 -0.86 -1.45 112.91 114.91 3ihh h THR 228 Ca 0.42 -0.94 0.03 0.00 0.77 0.00 0.00 66.41 66.70 3ihh h THR 228 Cb 0.70 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 3ihh h THR 228 CO -0.47 0.37 0.18 1.88 0.37 0.00 0.00 175.52 177.84 3ihh h TYR 229 N 1.11 0.33 0.68 3.16 -1.99 -0.67 -0.02 116.97 119.57 3ihh h TYR 229 Ca 0.24 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.95 3ihh h TYR 229 Cb 0.33 -0.09 0.01 0.00 2.00 0.00 0.00 36.73 38.97 3ihh h TYR 229 CO 0.03 0.17 -0.33 0.52 -0.00 0.00 0.00 178.16 178.55 3ihh h MET 230 N 0.37 -0.88 -0.55 4.88 2.86 -1.00 -1.57 114.93 119.03 3ihh h MET 230 Ca 0.16 0.06 0.08 0.00 -2.06 0.00 0.00 59.70 57.93 3ihh h MET 230 Cb 0.07 0.20 -0.06 0.00 0.06 0.00 0.00 31.60 31.87 3ihh h MET 230 CO -0.11 -0.57 0.21 0.82 1.06 0.00 0.00 176.91 178.32 3ihh h ILE 231 N -0.97 0.82 -0.83 -1.22 2.04 -1.31 -0.77 117.51 115.27 3ihh h ILE 231 Ca -0.09 -0.14 0.09 0.00 1.00 0.00 0.00 64.86 65.72 3ihh h ILE 231 Cb 0.72 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 3ihh h ILE 231 CO 0.15 0.07 0.48 0.00 0.00 0.00 0.00 178.15 178.86 3ihh h ALA 232 N 1.36 1.18 0.57 1.87 0.00 -0.95 -0.72 119.26 122.57 3ihh h ALA 232 Ca 0.27 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3ihh h ALA 232 Cb 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ihh h ALA 232 CO -0.26 0.12 -0.29 1.25 0.00 0.00 0.00 179.25 180.08 3ihh h HIS 233 N 0.82 -0.74 -0.99 0.00 -0.00 -0.82 -0.31 115.15 113.11 3ihh h HIS 233 Ca 0.40 -0.02 0.18 0.00 -0.00 0.00 0.00 60.37 60.93 3ihh h HIS 233 Cb 0.34 0.25 -0.10 0.00 -0.00 0.00 0.00 27.41 27.89 3ihh h HIS 233 CO -0.06 -0.46 0.59 0.82 -0.00 0.00 0.00 177.93 178.83 3ihh h ILE 234 N -0.78 0.72 -0.62 6.26 2.04 -0.77 -2.53 117.51 121.83 3ihh h ILE 234 Ca -0.08 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3ihh h ILE 234 Cb 0.61 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3ihh h ILE 234 CO 0.12 0.14 0.00 0.35 0.00 0.00 0.00 178.15 178.76 3ihh n THR 235 N -4.77 0.82 -1.28 -0.27 -2.24 -0.31 -4.95 114.28 101.28 3ihh n THR 235 Ca 0.22 -0.89 -0.08 0.00 -2.27 0.00 0.00 64.05 61.04 3ihh n THR 235 Cb 0.54 0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 3ihh n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ihh n GLY 236 N 1.59 0.93 3.93 3.38 0.00 -0.36 -4.95 105.19 109.71 3ihh n GLY 236 Ca 0.23 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 3ihh n GLY 236 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ihh s LEU 237 N -1.81 3.30 -0.09 0.99 1.43 -0.27 -5.02 118.68 117.21 3ihh s LEU 237 Ca 0.00 -0.78 -0.08 0.00 -1.03 0.00 0.00 54.13 52.25 3ihh s LEU 237 Cb 0.00 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 3ihh s LEU 237 CO 0.00 -0.83 0.19 -1.10 0.23 0.00 0.00 176.35 174.83 3ihh s GLN 238 N -4.26 3.51 0.32 1.70 -1.52 -0.77 -4.28 119.66 114.37 3ihh s GLN 238 Ca 0.49 -0.07 -0.29 0.00 -1.95 0.00 0.00 55.36 53.54 3ihh s GLN 238 Cb -0.05 -3.18 -0.11 0.00 -0.22 0.00 0.00 33.01 29.46 3ihh s GLN 238 CO 0.29 0.75 1.46 -2.14 -0.25 0.00 0.00 175.29 175.40 3ihh s PRO 239 N -1.15 4.20 0.00 2.91 0.02 -1.26 -0.41 135.00 139.31 3ihh s PRO 239 Ca 0.18 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.63 3ihh s PRO 239 Cb -0.13 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3ihh s PRO 239 CO 0.07 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.70 3ihh n GLY 240 N 1.24 0.19 3.43 0.52 0.00 0.16 -4.31 105.19 106.42 3ihh n GLY 240 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3ihh n GLY 240 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ihh s ASP 241 N -0.43 3.60 -0.31 1.61 1.01 -1.26 -0.41 116.67 120.47 3ihh s ASP 241 Ca 0.00 -0.58 -0.11 0.00 0.71 0.00 0.00 52.55 52.57 3ihh s ASP 241 Cb 0.00 -0.43 -0.02 0.00 1.01 0.00 0.00 42.92 43.48 3ihh s ASP 241 CO 0.00 0.21 0.18 0.12 0.21 0.00 0.00 175.17 175.89 3ihh s PHE 242 N -1.01 3.19 -0.31 4.23 5.36 0.09 -1.50 117.98 128.03 3ihh s PHE 242 Ca 0.15 -0.35 -0.11 0.00 -0.96 0.00 0.00 56.93 55.66 3ihh s PHE 242 Cb -0.10 -2.39 -0.02 0.00 -0.34 0.00 0.00 43.02 40.17 3ihh s PHE 242 CO 0.06 -0.38 0.18 0.08 -1.46 0.00 0.00 175.22 173.71 3ihh s VAL 243 N 1.67 4.90 -0.34 3.12 1.01 0.85 -0.48 120.40 131.13 3ihh s VAL 243 Ca 0.05 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 3ihh s VAL 243 Cb -0.17 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.76 3ihh s VAL 243 CO 0.08 0.08 0.16 -2.28 0.00 0.00 0.00 175.10 173.15 3ihh s HIS 244 N 1.67 3.21 -0.20 5.22 2.46 0.50 -1.12 115.29 127.03 3ihh s HIS 244 Ca 0.05 -0.90 -0.08 0.00 0.47 0.00 0.00 55.06 54.61 3ihh s HIS 244 Cb -0.17 -2.37 -0.04 0.00 -0.13 0.00 0.00 32.58 29.87 3ihh s HIS 244 CO 0.08 -0.59 0.08 0.99 -2.47 0.00 0.00 174.74 172.83 3ihh s THR 245 N 1.55 4.85 0.03 0.89 2.01 -0.19 -1.39 115.64 123.38 3ihh s THR 245 Ca 0.02 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.04 3ihh s THR 245 Cb -0.18 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 3ihh s THR 245 CO 0.06 0.43 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.66 3ihh s LEU 246 N 0.57 3.48 0.00 4.42 1.43 -0.15 -0.44 118.68 127.99 3ihh s LEU 246 Ca 0.04 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3ihh s LEU 246 Cb -0.13 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.03 3ihh s LEU 246 CO 0.01 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.45 3ihh n GLY 247 N 1.15 1.31 3.52 -3.19 0.00 0.10 -2.36 105.19 105.73 3ihh n GLY 247 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3ihh n GLY 247 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ihh s ASP 248 N -1.00 6.29 -0.24 1.61 3.68 -0.70 -0.88 116.67 125.43 3ihh s ASP 248 Ca 0.00 -0.98 -0.23 0.00 2.13 0.00 0.00 52.55 53.46 3ihh s ASP 248 Cb 0.00 -2.51 -0.01 0.00 -1.45 0.00 0.00 42.92 38.95 3ihh s ASP 248 CO 0.00 -1.59 0.78 0.00 0.13 0.00 0.00 175.17 174.49 3ihh s ALA 249 N 4.85 3.63 0.05 3.66 0.00 0.20 -1.55 121.76 132.60 3ihh s ALA 249 Ca 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.08 3ihh s ALA 249 Cb -0.08 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3ihh s ALA 249 CO 0.05 -0.87 0.01 -3.38 0.00 0.00 0.00 175.76 171.57 3ihh s HIS 250 N 2.70 0.44 -0.13 0.00 -0.00 0.05 -1.11 115.29 117.25 3ihh s HIS 250 Ca 0.33 -0.95 0.01 0.00 -0.00 0.00 0.00 55.06 54.45 3ihh s HIS 250 Cb -0.15 -0.32 0.02 0.00 -0.00 0.00 0.00 32.58 32.12 3ihh s HIS 250 CO 0.08 -0.39 -0.13 0.42 -0.00 0.00 0.00 174.74 174.71 3ihh s ILE 251 N -3.74 1.45 0.47 -5.38 1.01 -0.42 -1.41 121.20 113.19 3ihh s ILE 251 Ca 0.05 -0.58 -0.24 0.00 0.00 0.00 0.00 60.65 59.88 3ihh s ILE 251 Cb 0.06 -1.36 -0.07 0.00 0.01 0.00 0.00 42.46 41.10 3ihh s ILE 251 CO -0.09 0.44 1.28 -0.31 0.00 0.00 0.00 174.94 176.26 3ihh s TYR 252 N 1.33 2.65 0.56 3.97 2.02 -1.26 -1.72 117.35 124.90 3ihh s TYR 252 Ca 0.01 1.43 0.36 0.00 -0.37 0.00 0.00 57.07 58.50 3ihh s TYR 252 Cb -0.14 -3.63 2.01 0.00 -0.40 0.00 0.00 41.96 39.80 3ihh s TYR 252 CO -0.07 -2.21 2.26 -0.07 -1.57 0.00 0.00 175.55 173.90 3ihh h LEU 253 N 2.08 0.00 -0.98 -1.29 3.38 -1.68 0.10 115.31 116.92 3ihh h LEU 253 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3ihh h LEU 253 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3ihh h LEU 253 CO 0.60 0.02 0.00 0.59 0.09 0.00 0.00 178.44 179.74 3ihh n ASN 254 N -3.42 1.46 -0.77 -0.43 5.03 -1.23 -3.15 115.26 112.75 3ihh n ASN 254 Ca -0.03 -1.73 0.10 0.00 0.87 0.00 0.00 54.58 53.79 3ihh n ASN 254 Cb 0.12 -0.11 0.08 0.00 -1.02 0.00 0.00 39.78 38.84 3ihh n ASN 254 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3ihh n HIS 255 N 0.20 0.00 0.08 3.10 8.25 0.36 -4.63 115.22 122.57 3ihh n HIS 255 Ca 0.15 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.48 3ihh n HIS 255 Cb 0.28 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.31 3ihh n HIS 255 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3ihh h ILE 256 N 3.77 1.00 0.06 1.59 2.04 -1.60 -0.42 117.51 123.94 3ihh h ILE 256 Ca 0.00 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3ihh h ILE 256 Cb 0.81 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 3ihh h ILE 256 CO 0.00 0.14 -0.18 -0.33 0.00 0.00 0.00 178.15 177.78 3ihh h GLU 257 N -0.48 -0.27 -0.82 2.37 4.39 -1.82 0.31 114.58 118.26 3ihh h GLU 257 Ca -0.02 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.80 3ihh h GLU 257 Cb 0.38 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.03 3ihh h GLU 257 CO 0.03 -0.18 0.53 -1.35 -1.16 0.00 0.00 179.01 176.89 3ihh h PRO 258 N -0.28 0.71 -0.70 2.33 0.11 -1.83 -0.84 132.00 131.51 3ihh h PRO 258 Ca -0.01 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 3ihh h PRO 258 Cb 0.27 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 3ihh h PRO 258 CO -0.09 0.47 0.23 -0.07 -0.21 0.00 0.00 178.00 178.33 3ihh h LEU 259 N 0.74 1.01 -0.83 2.35 3.38 -0.80 -1.52 115.31 119.64 3ihh h LEU 259 Ca 0.38 -0.20 0.12 0.00 0.09 0.00 0.00 57.88 58.27 3ihh h LEU 259 Cb 0.49 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 3ihh h LEU 259 CO -0.15 0.94 0.45 0.11 0.09 0.00 0.00 178.44 179.88 3ihh h LYS 260 N 1.02 0.68 -0.42 1.13 1.57 0.10 -0.31 116.57 120.35 3ihh h LYS 260 Ca 0.23 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3ihh h LYS 260 Cb 0.29 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3ihh h LYS 260 CO -0.01 0.45 0.17 0.82 -0.57 0.00 0.00 179.45 180.32 3ihh h ILE 261 N 0.70 1.19 0.00 1.86 2.04 -1.13 -3.11 117.51 119.07 3ihh h ILE 261 Ca 0.42 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 3ihh h ILE 261 Cb 0.49 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3ihh h ILE 261 CO -0.30 0.22 -0.17 -0.61 0.00 0.00 0.00 178.15 177.29 3ihh h GLN 262 N 0.53 0.00 0.00 2.37 4.15 -0.91 -2.55 115.11 118.70 3ihh h GLN 262 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 3ihh h GLN 262 Cb 0.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.86 3ihh h GLN 262 CO -0.01 0.17 0.00 1.28 -1.93 0.00 0.00 178.83 178.33 3ihh n LEU 263 N -4.18 0.66 -0.40 -2.39 4.77 -0.16 -2.24 117.00 113.07 3ihh n LEU 263 Ca -0.02 0.67 0.12 0.00 -0.03 0.00 0.00 56.01 56.75 3ihh n LEU 263 Cb 0.24 -0.59 0.19 0.00 -2.33 0.00 0.00 43.42 40.93 3ihh n LEU 263 CO 0.35 -0.59 0.50 0.00 -1.33 0.00 0.00 177.39 176.32 3ihh n GLN 264 N -2.24 1.10 -2.89 3.23 1.13 -0.96 -4.91 117.38 111.84 3ihh n GLN 264 Ca 0.02 -0.80 -0.40 0.00 -1.94 0.00 0.00 57.00 53.88 3ihh n GLN 264 Cb 0.21 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 29.03 3ihh n GLN 264 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3ihh s ARG 265 N -2.45 4.62 -0.03 -1.09 0.52 -0.95 -5.04 118.95 114.53 3ihh s ARG 265 Ca 0.22 1.24 -0.20 0.00 -0.52 0.00 0.00 55.73 56.47 3ihh s ARG 265 Cb 0.19 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 32.29 3ihh s ARG 265 CO 0.53 0.40 0.58 -1.21 0.02 0.00 0.00 175.30 175.62 3ihh s GLU 266 N -0.57 4.32 0.53 3.54 0.41 -1.26 -5.00 118.70 120.67 3ihh s GLU 266 Ca 0.40 0.69 -0.22 0.00 -0.41 0.00 0.00 54.97 55.43 3ihh s GLU 266 Cb -0.23 -3.37 -0.06 0.00 -1.78 0.00 0.00 34.13 28.69 3ihh s GLU 266 CO 0.27 0.30 1.26 -2.30 -0.49 0.00 0.00 175.26 174.30 3ihh n PRO 267 N 3.02 1.57 -3.42 0.39 -0.02 -1.26 -4.89 135.00 130.39 3ihh n PRO 267 Ca -0.06 0.58 -0.29 0.00 -2.02 0.00 0.00 63.50 61.70 3ihh n PRO 267 Cb 0.51 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 3ihh n PRO 267 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ihh s ARG 268 N -2.72 3.63 0.41 -0.52 0.52 -1.26 -5.05 118.95 113.96 3ihh s ARG 268 Ca 0.70 -0.03 -0.23 0.00 -0.52 0.00 0.00 55.73 55.66 3ihh s ARG 268 Cb -0.44 -2.69 -0.12 0.00 0.52 0.00 0.00 34.95 32.22 3ihh s ARG 268 CO 0.50 0.27 0.65 -2.30 0.02 0.00 0.00 175.30 174.44 3ihh n PRO 269 N -0.76 0.72 -1.69 3.54 -0.02 -1.26 -4.83 135.00 130.71 3ihh n PRO 269 Ca -0.02 0.26 -0.35 0.00 -2.02 0.00 0.00 63.50 61.37 3ihh n PRO 269 Cb 0.54 -1.61 0.07 0.00 -0.02 0.00 0.00 33.50 32.47 3ihh n PRO 269 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3ihh s PHE 270 N -1.41 2.20 1.13 6.00 0.08 -1.26 -4.83 117.98 119.90 3ihh s PHE 270 Ca 0.63 1.55 -0.18 0.00 0.12 0.00 0.00 56.93 59.06 3ihh s PHE 270 Cb -0.60 -3.49 0.26 0.00 -0.57 0.00 0.00 43.02 38.62 3ihh s PHE 270 CO 0.58 -2.46 1.16 -1.25 -0.10 0.00 0.00 175.22 173.14 3ihh s PRO 271 N -3.66 -0.67 0.12 0.24 0.04 -1.25 -4.77 135.00 125.05 3ihh s PRO 271 Ca 0.76 -0.13 0.07 0.00 0.04 0.00 0.00 61.00 61.74 3ihh s PRO 271 Cb -0.30 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 3ihh s PRO 271 CO 0.40 -3.34 -0.06 0.15 0.04 0.00 0.00 177.00 174.20 3ihh s LYS 272 N -5.51 2.26 -0.23 4.56 1.02 -0.62 -0.96 119.74 120.25 3ihh s LYS 272 Ca 0.71 -1.03 -0.05 0.00 0.02 0.00 0.00 55.97 55.62 3ihh s LYS 272 Cb -0.09 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 34.86 3ihh s LYS 272 CO 0.55 0.50 -0.00 -1.17 -0.92 0.00 0.00 175.35 174.31 3ihh s LEU 273 N -2.43 3.10 -0.15 3.17 2.96 -1.26 -1.47 118.68 122.60 3ihh s LEU 273 Ca 0.24 -0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 53.74 3ihh s LEU 273 Cb -0.11 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 3ihh s LEU 273 CO 0.16 -0.03 0.08 -0.54 -1.32 0.00 0.00 176.35 174.69 3ihh s LYS 274 N 1.52 3.64 -0.21 1.98 3.01 -0.11 -4.99 119.74 124.59 3ihh s LYS 274 Ca 0.06 -0.29 -0.08 0.00 -1.01 0.00 0.00 55.97 54.65 3ihh s LYS 274 Cb -0.15 -3.14 -0.04 0.00 -1.01 0.00 0.00 37.83 33.50 3ihh s LYS 274 CO -0.01 0.50 0.07 0.42 0.51 0.00 0.00 175.35 176.85 3ihh s ILE 275 N -0.27 4.69 -1.49 2.17 1.01 -1.26 -1.42 121.20 124.62 3ihh s ILE 275 Ca 0.09 -0.06 0.22 0.00 0.00 0.00 0.00 60.65 60.90 3ihh s ILE 275 Cb -0.12 -3.15 -0.11 0.00 0.01 0.00 0.00 42.46 39.10 3ihh s ILE 275 CO 0.01 0.41 1.02 0.18 0.00 0.00 0.00 174.94 176.57 3ihh n LEU 276 N 4.04 1.45 -4.13 2.97 4.77 0.16 -4.91 117.00 121.36 3ihh n LEU 276 Ca -0.16 -0.59 -0.15 0.00 -0.03 0.00 0.00 56.01 55.07 3ihh n LEU 276 Cb 0.52 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 3ihh n LEU 276 CO 0.34 0.30 0.08 0.00 -1.33 0.00 0.00 177.39 176.79 3ihh s ARG 277 N -2.75 1.86 -0.37 3.23 1.70 -1.26 -5.10 118.95 116.27 3ihh s ARG 277 Ca 0.13 -1.80 -0.20 0.00 -0.47 0.00 0.00 55.73 53.40 3ihh s ARG 277 Cb 0.17 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.97 3ihh s ARG 277 CO 0.72 -0.75 0.60 0.21 -1.08 0.00 0.00 175.30 174.99 3ihh s LYS 278 N -3.17 3.59 -0.14 3.89 2.36 -1.26 -5.03 119.74 119.98 3ihh s LYS 278 Ca 0.32 -0.09 -0.05 0.00 -2.55 0.00 0.00 55.97 53.61 3ihh s LYS 278 Cb 0.00 -3.83 -0.04 0.00 -1.05 0.00 0.00 37.83 32.91 3ihh s LYS 278 CO 0.21 -0.75 0.04 0.08 1.55 0.00 0.00 175.35 176.48 3ihh s VAL 279 N 2.63 4.60 -0.09 4.02 1.01 -1.26 -5.02 120.40 126.28 3ihh s VAL 279 Ca 0.22 -0.12 0.15 0.00 0.00 0.00 0.00 61.98 62.24 3ihh s VAL 279 Cb -0.15 -3.02 -0.19 0.00 0.00 0.00 0.00 36.38 33.02 3ihh s VAL 279 CO 0.15 0.53 0.67 -0.62 0.00 0.00 0.00 175.10 175.83 3ihh n GLU 280 N 2.96 0.63 -3.98 2.72 4.71 -1.26 -4.61 120.64 121.81 3ihh n GLU 280 Ca -0.18 0.22 -0.12 0.00 -0.01 0.00 0.00 57.16 57.08 3ihh n GLU 280 Cb 0.53 -1.77 -0.12 0.00 -1.01 0.00 0.00 31.44 29.07 3ihh n GLU 280 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 3ihh s THR 281 N -2.76 0.18 0.49 2.62 -4.23 -1.26 -4.91 115.64 105.78 3ihh s THR 281 Ca -0.04 -0.55 0.25 0.00 -1.18 0.00 0.00 61.69 60.16 3ihh s THR 281 Cb 0.08 -0.25 0.42 0.00 1.34 0.00 0.00 72.50 74.10 3ihh s THR 281 CO 0.82 -0.24 1.91 -0.29 -0.54 0.00 0.00 174.62 176.28 3ihh h ILE 282 N 4.84 0.65 0.00 2.99 6.09 -1.94 -0.91 117.51 129.23 3ihh h ILE 282 Ca -0.29 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 3ihh h ILE 282 Cb 1.21 0.50 0.00 0.00 0.47 0.00 0.00 36.82 38.99 3ihh h ILE 282 CO 0.45 0.03 0.00 0.47 -3.07 0.00 0.00 178.15 176.03 3ihh n ASP 283 N -4.38 0.00 -0.00 2.19 9.92 -1.26 -3.30 116.55 119.72 3ihh n ASP 283 Ca 0.16 0.32 0.08 0.00 -0.53 0.00 0.00 54.79 54.82 3ihh n ASP 283 Cb 0.77 -0.42 -0.09 0.00 -0.64 0.00 0.00 41.12 40.73 3ihh n ASP 283 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3ihh n ASP 284 N -1.42 0.77 -4.78 -2.24 2.03 -0.35 -4.92 116.55 105.64 3ihh n ASP 284 Ca 0.06 -0.89 -0.41 0.00 0.52 0.00 0.00 54.79 54.07 3ihh n ASP 284 Cb 0.19 0.99 0.00 0.00 -0.72 0.00 0.00 41.12 41.58 3ihh n ASP 284 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3ihh s PHE 285 N -2.52 2.55 0.11 -0.67 0.08 -1.21 -5.02 117.98 111.30 3ihh s PHE 285 Ca 0.06 1.16 0.04 0.00 0.12 0.00 0.00 56.93 58.31 3ihh s PHE 285 Cb 0.12 -4.04 -0.04 0.00 -0.57 0.00 0.00 43.02 38.49 3ihh s PHE 285 CO 0.66 -3.06 -0.10 0.15 -0.10 0.00 0.00 175.22 172.77 3ihh s LYS 286 N -2.13 0.89 0.29 0.44 1.02 -1.26 -5.06 119.74 113.93 3ihh s LYS 286 Ca 0.53 -1.24 0.04 0.00 0.02 0.00 0.00 55.97 55.32 3ihh s LYS 286 Cb -0.47 -0.53 0.71 0.00 -0.52 0.00 0.00 37.83 37.02 3ihh s LYS 286 CO 0.64 0.07 1.73 -0.39 -0.92 0.00 0.00 175.35 176.48 3ihh h VAL 287 N 3.34 0.59 0.00 3.17 -1.51 -1.96 0.49 116.25 120.37 3ihh h VAL 287 Ca -0.37 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 3ihh h VAL 287 Cb 1.19 -0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 3ihh h VAL 287 CO 0.56 0.10 0.00 -0.62 -1.23 0.00 0.00 177.57 176.38 3ihh n GLU 288 N -4.92 0.10 0.07 5.19 4.71 -1.26 -2.02 120.64 122.50 3ihh n GLU 288 Ca 0.22 0.43 0.11 0.00 -0.01 0.00 0.00 57.16 57.91 3ihh n GLU 288 Cb 0.60 -1.73 0.44 0.00 -1.01 0.00 0.00 31.44 29.75 3ihh n GLU 288 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3ihh n ASP 289 N -1.91 0.40 -4.30 1.62 8.00 0.17 -4.80 116.55 115.73 3ihh n ASP 289 Ca 0.01 0.58 -0.30 0.00 0.71 0.00 0.00 54.79 55.79 3ihh n ASP 289 Cb 0.13 -0.67 -0.16 0.00 -0.02 0.00 0.00 41.12 40.41 3ihh n ASP 289 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ihh s PHE 290 N -3.14 2.22 -0.08 1.24 0.08 -0.86 -0.66 117.98 116.79 3ihh s PHE 290 Ca 0.08 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.70 3ihh s PHE 290 Cb 0.11 -1.41 0.03 0.00 -0.57 0.00 0.00 43.02 41.18 3ihh s PHE 290 CO 0.41 -0.01 -0.02 -1.14 -0.10 0.00 0.00 175.22 174.37 3ihh s GLN 291 N -0.70 0.80 -0.26 0.44 2.00 -0.51 -5.01 119.66 116.42 3ihh s GLN 291 Ca 0.10 0.03 -0.26 0.00 -2.00 0.00 0.00 55.36 53.23 3ihh s GLN 291 Cb -0.10 -1.09 0.00 0.00 0.80 0.00 0.00 33.01 32.63 3ihh s GLN 291 CO -0.00 -0.29 0.90 0.42 -0.50 0.00 0.00 175.29 175.82 3ihh s ILE 292 N 1.88 4.75 -0.16 -2.34 -1.09 -1.26 -0.93 121.20 122.05 3ihh s ILE 292 Ca 0.04 1.62 -0.02 0.00 -2.23 0.00 0.00 60.65 60.07 3ihh s ILE 292 Cb -0.12 -4.20 -0.01 0.00 -1.58 0.00 0.00 42.46 36.54 3ihh s ILE 292 CO -0.06 -0.18 -0.09 -1.61 -1.23 0.00 0.00 174.94 171.77 3ihh s GLU 293 N 3.05 3.41 0.00 2.79 2.02 -0.54 -4.66 118.70 124.77 3ihh s GLU 293 Ca 0.38 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.72 3ihh s GLU 293 Cb -0.15 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.29 3ihh s GLU 293 CO 0.09 0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.85 3ihh n GLY 294 N 3.98 0.71 3.55 -1.39 0.00 -1.26 -1.60 105.19 109.18 3ihh n GLY 294 Ca -0.18 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 3ihh n GLY 294 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ihh s TYR 295 N -2.26 3.13 -0.51 1.61 5.04 -1.26 -4.27 117.35 118.83 3ihh s TYR 295 Ca 0.00 0.21 0.04 0.00 -2.44 0.00 0.00 57.07 54.88 3ihh s TYR 295 Cb 0.00 -3.18 0.17 0.00 0.35 0.00 0.00 41.96 39.29 3ihh s TYR 295 CO 0.00 -0.69 0.38 1.21 -1.34 0.00 0.00 175.55 175.11 3ihh s ASN 296 N 1.85 2.81 0.16 4.32 2.47 -1.26 -5.08 114.94 120.21 3ihh s ASN 296 Ca 0.23 -3.26 -0.21 0.00 0.42 0.00 0.00 52.86 50.04 3ihh s ASN 296 Cb -0.14 -0.89 -0.08 0.00 -1.45 0.00 0.00 41.25 38.69 3ihh s ASN 296 CO 0.16 -0.15 0.68 -2.16 -3.72 0.00 0.00 177.10 171.91 3ihh s PRO 297 N -0.39 4.31 1.03 0.43 0.04 -1.26 -4.81 135.00 134.35 3ihh s PRO 297 Ca 0.28 0.89 -0.23 0.00 0.04 0.00 0.00 61.00 61.98 3ihh s PRO 297 Cb -0.02 -3.09 -0.10 0.00 0.04 0.00 0.00 34.50 31.33 3ihh s PRO 297 CO -0.16 0.52 -0.91 0.72 0.04 0.00 0.00 177.00 177.20 3ihh n HIS 298 N 1.24 -1.94 -2.63 0.56 8.25 0.99 -4.86 115.22 116.83 3ihh n HIS 298 Ca -0.06 0.40 -0.36 0.00 -0.26 0.00 0.00 57.72 57.45 3ihh n HIS 298 Cb 0.50 -1.46 -0.05 0.00 1.12 0.00 0.00 29.99 30.10 3ihh n HIS 298 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3ihh s PRO 299 N -2.48 4.19 -0.10 -0.41 0.01 -1.26 -4.28 135.00 130.66 3ihh s PRO 299 Ca 0.43 1.39 -0.09 0.00 0.01 0.00 0.00 61.00 62.75 3ihh s PRO 299 Cb -0.01 -2.45 -0.04 0.00 0.01 0.00 0.00 34.50 32.00 3ihh s PRO 299 CO 0.69 -0.10 0.39 0.25 0.01 0.00 0.00 177.00 178.24 3ihh n THR 300 N -0.20 0.00 -4.63 0.99 -2.24 -1.26 -4.93 114.28 102.00 3ihh n THR 300 Ca 0.05 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.50 3ihh n THR 300 Cb 0.51 -0.10 -0.13 0.00 -2.10 0.00 0.00 70.33 68.51 3ihh n THR 300 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ihh s ILE 301 N 1.04 3.46 0.01 2.28 1.01 -1.26 -5.08 121.20 122.66 3ihh s ILE 301 Ca 0.23 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 60.05 3ihh s ILE 301 Cb -0.29 -2.46 -0.07 0.00 0.01 0.00 0.00 42.46 39.65 3ihh s ILE 301 CO 0.14 0.53 1.67 -1.59 0.00 0.00 0.00 174.94 175.69 3ihh s LYS 302 N 0.07 4.19 -0.17 2.79 0.00 -1.26 -5.00 119.74 120.36 3ihh s LYS 302 Ca -0.03 2.28 -0.04 0.00 0.00 0.00 0.00 55.97 58.18 3ihh s LYS 302 Cb -0.14 -3.83 0.08 0.00 0.00 0.00 0.00 37.83 33.94 3ihh s LYS 302 CO 0.04 -0.80 0.26 -1.64 0.00 0.00 0.00 175.35 173.21 3ihh s MET 303 N 3.43 0.18 0.34 1.78 -1.94 -1.26 -4.70 119.30 117.13 3ihh s MET 303 Ca 0.75 0.53 -0.28 0.00 -1.71 0.00 0.00 55.69 54.98 3ihh s MET 303 Cb -0.37 -0.51 -0.09 0.00 2.01 0.00 0.00 34.83 35.87 3ihh s MET 303 CO 0.32 -0.46 1.19 -2.00 -0.01 0.00 0.00 175.02 174.06 3ihh s GLU 304 N 2.40 4.34 -0.11 2.03 2.56 -1.26 -5.04 118.70 123.60 3ihh s GLU 304 Ca 0.05 1.94 -0.14 0.00 0.00 0.00 0.00 54.97 56.82 3ihh s GLU 304 Cb -0.14 -2.96 -0.05 0.00 2.00 0.00 0.00 34.13 32.99 3ihh s GLU 304 CO -0.10 -0.11 0.32 1.41 -0.56 0.00 0.00 175.26 176.22 3ihh s MET 305 N -1.88 4.09 0.00 4.30 -2.45 -1.26 -4.53 119.30 117.58 3ihh s MET 305 Ca 0.51 0.18 0.00 0.00 -1.25 0.00 0.00 55.69 55.12 3ihh s MET 305 Cb -0.34 -3.35 0.00 0.00 1.25 0.00 0.00 34.83 32.39 3ihh s MET 305 CO 0.44 0.40 0.00 0.00 1.05 0.00 0.00 175.02 176.91 3ihh n ALA 306 N 2.98 0.00 1.26 4.11 0.00 -1.26 -5.23 120.51 122.37 3ihh n ALA 306 Ca -0.13 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.44 3ihh n ALA 306 Cb 0.52 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.29 3ihh n ALA 306 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83