#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihh n HIS 22 N 0.00 2.61 0.09 -1.55 -0.00 -1.26 -4.90 115.22 110.21 3ihh n HIS 22 Ca 0.00 0.38 0.06 0.00 -0.00 0.00 0.00 57.72 58.16 3ihh n HIS 22 Cb 0.00 -2.52 0.51 0.00 -0.00 0.00 0.00 29.99 27.98 3ihh n HIS 22 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3ihh h GLY 23 N 3.96 0.36 2.00 1.57 0.00 -1.97 -1.52 103.07 107.47 3ihh h GLY 23 Ca -0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 3ihh h GLY 23 CO 0.73 0.13 -0.03 -2.09 0.00 0.00 0.00 176.54 175.28 3ihh h GLU 24 N 0.34 0.00 -0.06 4.80 4.81 -1.96 -1.16 114.58 121.34 3ihh h GLU 24 Ca 0.11 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3ihh h GLU 24 Cb 0.02 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3ihh h GLU 24 CO -0.02 0.03 0.05 -0.07 -0.73 0.00 0.00 179.01 178.27 3ihh h LEU 25 N 0.00 0.00 -0.73 1.64 3.38 -1.65 -1.33 115.31 116.63 3ihh h LEU 25 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3ihh h LEU 25 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3ihh h LEU 25 CO 0.00 0.00 -0.23 1.56 0.09 0.00 0.00 178.44 179.86 3ihh h GLN 26 N 0.00 0.72 0.15 1.13 4.20 -1.39 0.60 115.11 120.52 3ihh h GLN 26 Ca 0.03 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 3ihh h GLN 26 Cb 0.14 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3ihh h GLN 26 CO -0.00 0.89 -0.07 -0.92 -0.67 0.00 0.00 178.83 178.06 3ihh h TYR 27 N 0.63 -0.18 -0.94 2.96 5.03 -1.42 -2.25 116.97 120.79 3ihh h TYR 27 Ca 0.09 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.48 3ihh h TYR 27 Cb 0.73 0.06 -0.07 0.00 1.55 0.00 0.00 36.73 39.00 3ihh h TYR 27 CO 0.04 0.20 0.58 -0.07 -1.32 0.00 0.00 178.16 177.59 3ihh h LEU 28 N -0.62 0.89 -1.27 2.82 3.38 -1.22 -0.06 115.31 119.22 3ihh h LEU 28 Ca -0.02 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3ihh h LEU 28 Cb 0.47 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3ihh h LEU 28 CO 0.03 0.52 0.50 0.03 0.09 0.00 0.00 178.44 179.61 3ihh h ARG 29 N 0.99 0.97 -0.35 1.13 3.08 -0.86 -0.62 114.38 118.73 3ihh h ARG 29 Ca 0.44 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.29 3ihh h ARG 29 Cb 0.33 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3ihh h ARG 29 CO -0.22 0.64 -0.31 1.96 -1.07 0.00 0.00 179.97 180.96 3ihh h GLN 30 N 1.00 0.83 -0.01 0.04 4.20 -0.44 -0.68 115.11 120.05 3ihh h GLN 30 Ca 0.28 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.56 3ihh h GLN 30 Cb -0.08 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 3ihh h GLN 30 CO -0.07 1.06 0.00 0.28 -0.67 0.00 0.00 178.83 179.44 3ihh h VAL 31 N 0.62 1.00 -0.20 -0.54 2.07 -0.79 -0.79 116.25 117.62 3ihh h VAL 31 Ca 0.06 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 3ihh h VAL 31 Cb 0.90 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 3ihh h VAL 31 CO 0.08 0.00 0.02 -0.08 0.02 0.00 0.00 177.57 177.61 3ihh h GLU 32 N 0.01 0.09 -0.54 1.57 4.81 -0.96 -1.10 114.58 118.45 3ihh h GLU 32 Ca 0.00 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 3ihh h GLU 32 Cb 0.00 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.29 3ihh h GLU 32 CO -0.00 0.06 0.17 1.25 -0.73 0.00 0.00 179.01 179.76 3ihh h HIS 33 N 0.09 0.29 -0.60 0.92 2.76 -0.80 -0.13 115.15 117.67 3ihh h HIS 33 Ca 0.09 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.25 3ihh h HIS 33 Cb 0.10 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 3ihh h HIS 33 CO -0.16 0.06 0.23 0.82 -1.30 0.00 0.00 177.93 177.59 3ihh h ILE 34 N 0.33 1.23 -0.58 6.26 2.04 -0.55 0.14 117.51 126.39 3ihh h ILE 34 Ca 0.27 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 3ihh h ILE 34 Cb 0.34 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3ihh h ILE 34 CO -0.30 0.28 0.21 -0.07 0.00 0.00 0.00 178.15 178.28 3ihh h LEU 35 N 0.84 0.78 0.02 1.44 3.38 -0.80 -0.64 115.31 120.33 3ihh h LEU 35 Ca 0.20 -0.11 -0.30 0.00 0.09 0.00 0.00 57.88 57.76 3ihh h LEU 35 Cb 0.22 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3ihh h LEU 35 CO -0.01 0.72 -1.70 -0.09 0.09 0.00 0.00 178.44 177.44 3ihh h ARG 36 N 0.84 0.05 0.00 1.13 2.43 -0.88 -3.42 114.38 114.52 3ihh h ARG 36 Ca 0.20 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3ihh h ARG 36 Cb 0.19 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3ihh h ARG 36 CO -0.01 0.66 -0.43 0.00 -1.51 0.00 0.00 179.97 178.67 3ihh s GLY 38 N -1.41 2.02 -0.06 0.00 0.00 -0.25 -4.99 107.32 102.64 3ihh s GLY 38 Ca 0.00 0.32 -0.04 0.00 0.00 0.00 0.00 44.72 45.00 3ihh s GLY 38 CO 0.00 0.64 0.15 -1.36 0.00 0.00 0.00 173.10 172.52 3ihh s PHE 39 N -2.59 3.54 0.29 1.90 0.40 -0.78 -4.71 117.98 116.03 3ihh s PHE 39 Ca 0.62 0.42 -0.30 0.00 -0.60 0.00 0.00 56.93 57.07 3ihh s PHE 39 Cb -0.15 -1.87 -0.12 0.00 0.51 0.00 0.00 43.02 41.39 3ihh s PHE 39 CO 0.41 0.67 1.51 1.17 0.70 0.00 0.00 175.22 179.68 3ihh n LYS 40 N 1.47 2.46 -3.69 0.44 3.00 -1.26 -0.87 118.16 119.71 3ihh n LYS 40 Ca -0.15 0.87 -0.15 0.00 -0.00 0.00 0.00 58.31 58.88 3ihh n LYS 40 Cb 0.54 -2.60 -0.14 0.00 0.00 0.00 0.00 35.03 32.83 3ihh n LYS 40 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3ihh s LYS 41 N -0.73 0.10 0.74 1.64 2.20 -0.29 -4.91 119.74 118.49 3ihh s LYS 41 Ca 0.64 0.58 -0.14 0.00 -0.36 0.00 0.00 55.97 56.68 3ihh s LYS 41 Cb -0.54 -0.17 0.04 0.00 -1.51 0.00 0.00 37.83 35.65 3ihh s LYS 41 CO 0.51 -0.26 1.18 -1.21 -0.36 0.00 0.00 175.35 175.21 3ihh s GLU 42 N 1.99 2.16 0.20 4.03 0.41 -1.26 -1.32 118.70 124.90 3ihh s GLU 42 Ca -0.01 1.65 -0.03 0.00 -0.41 0.00 0.00 54.97 56.16 3ihh s GLU 42 Cb -0.12 -1.85 -0.03 0.00 -1.78 0.00 0.00 34.13 30.35 3ihh s GLU 42 CO -0.07 -1.80 0.18 0.16 -0.49 0.00 0.00 175.26 173.24 3ihh s ASP 43 N -2.25 0.13 0.31 -0.19 1.47 -1.26 -4.86 116.67 110.01 3ihh s ASP 43 Ca 0.72 -1.28 0.06 0.00 1.18 0.00 0.00 52.55 53.23 3ihh s ASP 43 Cb -0.26 0.40 0.85 0.00 -0.34 0.00 0.00 42.92 43.57 3ihh s ASP 43 CO 0.46 -0.87 1.65 -0.09 0.68 0.00 0.00 175.17 177.00 3ihh h ARG 44 N 2.59 0.23 0.00 2.11 2.43 -2.02 -0.04 114.38 119.69 3ihh h ARG 44 Ca -0.34 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3ihh h ARG 44 Cb 1.24 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3ihh h ARG 44 CO 0.51 0.15 0.00 0.25 -1.51 0.00 0.00 179.97 179.37 3ihh n THR 45 N -5.18 0.58 -0.94 0.20 -2.24 -1.26 -4.91 114.28 100.54 3ihh n THR 45 Ca 0.25 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 3ihh n THR 45 Cb 0.79 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.69 0.39 0.13 3.38 0.00 -0.03 -4.91 105.19 104.84 3ihh n GLY 46 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 3ihh n GLY 46 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ihh h THR 47 N 0.00 1.42 0.00 2.61 2.02 -1.84 -3.48 112.91 113.64 3ihh h THR 47 Ca 0.00 -2.81 0.00 0.00 0.77 0.00 0.00 66.41 64.37 3ihh h THR 47 Cb 0.28 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 3ihh h THR 47 CO 0.00 0.83 0.00 0.61 0.37 0.00 0.00 175.52 177.33 3ihh n GLY 48 N 1.42 0.10 3.18 2.16 0.00 -1.26 -4.52 105.19 106.27 3ihh n GLY 48 Ca -0.10 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.39 0.06 -0.12 2.61 -4.23 -0.44 -1.52 115.64 109.62 3ihh s THR 49 Ca 0.00 -1.91 -0.03 0.00 -1.18 0.00 0.00 61.69 58.57 3ihh s THR 49 Cb 0.00 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.61 3ihh s THR 49 CO 0.00 -0.29 0.01 -0.76 -0.54 0.00 0.00 174.62 173.04 3ihh s LEU 50 N -3.08 3.58 0.01 4.79 1.43 -0.03 -1.13 118.68 124.24 3ihh s LEU 50 Ca 0.29 0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.45 3ihh s LEU 50 Cb 0.07 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 3ihh s LEU 50 CO 0.05 0.31 0.05 -0.55 0.23 0.00 0.00 176.35 176.44 3ihh s SER 51 N -0.46 0.12 0.01 2.29 0.15 -0.05 -0.79 113.70 114.97 3ihh s SER 51 Ca 0.08 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.42 3ihh s SER 51 Cb -0.12 0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.33 3ihh s SER 51 CO 0.02 -0.31 -0.03 -0.69 1.20 0.00 0.00 173.24 173.43 3ihh s VAL 52 N -1.31 0.22 -0.26 4.45 1.01 -0.37 -1.86 120.40 122.28 3ihh s VAL 52 Ca -0.14 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 3ihh s VAL 52 Cb -0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 3ihh s VAL 52 CO 0.00 -0.10 0.11 0.12 0.00 0.00 0.00 175.10 175.23 3ihh s PHE 53 N -0.48 3.14 0.00 5.22 5.36 -1.26 -1.11 117.98 128.85 3ihh s PHE 53 Ca -0.04 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 55.72 3ihh s PHE 53 Cb -0.04 -2.28 0.00 0.00 -0.34 0.00 0.00 43.02 40.37 3ihh s PHE 53 CO -0.00 -0.26 0.00 0.41 -1.46 0.00 0.00 175.22 173.91 3ihh n GLY 54 N 4.89 -0.21 3.32 13.12 0.00 -0.04 -4.99 105.19 121.28 3ihh n GLY 54 Ca -0.15 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.48 1.16 -0.20 1.61 -1.94 -0.86 -4.97 119.30 113.61 3ihh s MET 55 Ca 0.00 -1.27 -0.17 0.00 -1.71 0.00 0.00 55.69 52.54 3ihh s MET 55 Cb 0.00 0.35 0.05 0.00 2.01 0.00 0.00 34.83 37.25 3ihh s MET 55 CO 0.00 -0.41 0.53 -1.14 -0.01 0.00 0.00 175.02 173.98 3ihh s GLN 56 N -4.00 0.60 0.07 2.03 0.74 -1.26 -1.76 119.66 116.08 3ihh s GLN 56 Ca 0.21 0.77 0.01 0.00 0.05 0.00 0.00 55.36 56.39 3ihh s GLN 56 Cb 0.04 0.26 -0.04 0.00 1.10 0.00 0.00 33.01 34.38 3ihh s GLN 56 CO 0.02 -0.09 -0.05 0.00 -0.55 0.00 0.00 175.29 174.62 3ihh s ALA 57 N 0.46 0.68 -0.11 1.58 0.00 -0.33 -4.98 121.76 119.05 3ihh s ALA 57 Ca -0.01 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.82 3ihh s ALA 57 Cb -0.04 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.27 3ihh s ALA 57 CO -0.02 -0.23 -0.11 0.50 0.00 0.00 0.00 175.76 175.91 3ihh s ARG 58 N -3.20 1.83 -0.31 0.00 3.52 -1.26 -0.45 118.95 119.08 3ihh s ARG 58 Ca 0.04 -0.39 -0.01 0.00 -0.13 0.00 0.00 55.73 55.23 3ihh s ARG 58 Cb 0.02 -1.73 0.06 0.00 -1.56 0.00 0.00 34.95 31.74 3ihh s ARG 58 CO -0.05 -0.19 0.01 0.71 -0.81 0.00 0.00 175.30 174.97 3ihh s TYR 59 N 1.40 3.31 0.25 5.12 2.02 0.07 -4.97 117.35 124.54 3ihh s TYR 59 Ca 0.00 -2.00 -0.31 0.00 -0.37 0.00 0.00 57.07 54.40 3ihh s TYR 59 Cb -0.13 -2.22 -0.13 0.00 -0.40 0.00 0.00 41.96 39.08 3ihh s TYR 59 CO -0.06 -0.83 1.46 0.45 -1.57 0.00 0.00 175.55 175.00 3ihh n SER 60 N 4.59 3.01 -0.90 2.29 2.88 -1.26 -0.80 113.62 123.43 3ihh n SER 60 Ca -0.12 1.14 0.08 0.00 -1.33 0.00 0.00 58.87 58.64 3ihh n SER 60 Cb 0.43 -1.46 0.22 0.00 -0.75 0.00 0.00 64.21 62.64 3ihh n SER 60 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3ihh n LEU 61 N 2.22 3.34 -4.52 2.46 4.77 0.10 -4.62 117.00 120.74 3ihh n LEU 61 Ca 0.11 -2.04 -0.42 0.00 -0.03 0.00 0.00 56.01 53.63 3ihh n LEU 61 Cb 0.32 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3ihh n LEU 61 CO 0.63 0.82 0.88 -0.13 -1.33 0.00 0.00 177.39 178.25 3ihh s ARG 62 N -1.07 3.29 -1.87 3.23 0.52 -1.25 -3.81 118.95 117.99 3ihh s ARG 62 Ca 0.33 -0.30 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 3ihh s ARG 62 Cb 0.18 -4.11 0.00 0.00 0.52 0.00 0.00 34.95 31.54 3ihh s ARG 62 CO 0.21 -1.71 0.00 -0.25 0.02 0.00 0.00 175.30 173.58 3ihh n ASP 63 N 8.01 -5.27 -3.79 0.23 10.43 -1.26 -4.94 116.55 119.97 3ihh n ASP 63 Ca 0.02 0.33 -0.07 0.00 2.57 0.00 0.00 54.79 57.64 3ihh n ASP 63 Cb 0.48 -4.38 -0.02 0.00 1.84 0.00 0.00 41.12 39.03 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 -3.93 1.61 -0.05 -1.24 -1.05 -1.25 -4.84 118.70 107.96 3ihh s GLU 64 Ca 0.00 -0.86 0.01 0.00 -0.15 0.00 0.00 54.97 53.96 3ihh s GLU 64 Cb 0.00 0.57 0.02 0.00 -0.44 0.00 0.00 34.13 34.28 3ihh s GLU 64 CO 0.00 -0.74 -0.06 0.12 0.95 0.00 0.00 175.26 175.54 3ihh s PHE 65 N -3.78 0.91 -1.32 4.83 5.36 0.81 -4.52 117.98 120.26 3ihh s PHE 65 Ca 0.10 -0.29 -0.11 0.00 -0.96 0.00 0.00 56.93 55.67 3ihh s PHE 65 Cb -0.05 -0.78 0.13 0.00 -0.34 0.00 0.00 43.02 41.99 3ihh s PHE 65 CO 0.04 -0.24 1.95 -0.35 -1.46 0.00 0.00 175.22 175.16 3ihh n PRO 66 N 4.15 3.41 -3.25 10.12 -0.04 -1.26 -3.66 135.00 144.47 3ihh n PRO 66 Ca -0.22 -3.30 -0.43 0.00 -0.04 0.00 0.00 63.50 59.51 3ihh n PRO 66 Cb 0.51 -3.03 -0.08 0.00 -0.04 0.00 0.00 33.50 30.86 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 4.66 0.48 1.53 2.96 -1.26 -4.40 118.68 123.23 3ihh s LEU 67 Ca 0.42 -0.45 -0.24 0.00 -0.22 0.00 0.00 54.13 53.63 3ihh s LEU 67 Cb 0.10 -2.51 -0.07 0.00 0.50 0.00 0.00 46.19 44.21 3ihh s LEU 67 CO -0.02 -0.60 1.38 -0.76 -1.32 0.00 0.00 176.35 175.03 3ihh s LEU 68 N 2.36 4.03 -0.01 -0.68 1.43 -1.26 -4.69 118.68 119.86 3ihh s LEU 68 Ca 0.16 2.81 0.14 0.00 -1.03 0.00 0.00 54.13 56.22 3ihh s LEU 68 Cb -0.16 -4.06 -0.19 0.00 0.03 0.00 0.00 46.19 41.82 3ihh s LEU 68 CO 0.15 -1.26 0.48 0.35 0.23 0.00 0.00 176.35 176.29 3ihh n THR 69 N -0.45 0.00 0.57 5.49 -2.24 -1.26 -4.37 114.28 112.03 3ihh n THR 69 Ca 0.07 -0.24 0.13 0.00 -2.27 0.00 0.00 64.05 61.73 3ihh n THR 69 Cb 0.43 0.62 0.44 0.00 -2.10 0.00 0.00 70.33 69.72 3ihh n THR 69 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ihh n THR 70 N -1.64 0.64 -3.70 4.28 -2.24 -1.26 -0.31 114.28 110.06 3ihh n THR 70 Ca 0.00 -0.12 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 3ihh n THR 70 Cb 0.29 -0.75 -0.09 0.00 -2.10 0.00 0.00 70.33 67.68 3ihh n THR 70 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3ihh s LYS 71 N -3.16 0.54 0.20 -0.78 2.20 -1.26 -4.65 119.74 112.83 3ihh s LYS 71 Ca 0.09 0.74 -0.33 0.00 -0.36 0.00 0.00 55.97 56.11 3ihh s LYS 71 Cb 0.12 0.21 -0.13 0.00 -1.51 0.00 0.00 37.83 36.52 3ihh s LYS 71 CO 0.53 -0.09 1.65 -2.13 -0.36 0.00 0.00 175.35 174.95 3ihh n ARG 72 N 3.21 2.50 -3.81 4.03 0.63 -1.26 -4.76 116.66 117.20 3ihh n ARG 72 Ca -0.16 0.90 -0.37 0.00 -0.92 0.00 0.00 57.85 57.31 3ihh n ARG 72 Cb 0.56 -2.71 -0.06 0.00 0.45 0.00 0.00 32.46 30.71 3ihh n ARG 72 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3ihh s VAL 73 N 0.93 5.41 -1.05 5.15 1.01 -1.26 -5.02 120.40 125.57 3ihh s VAL 73 Ca 0.75 0.27 -0.19 0.00 0.00 0.00 0.00 61.98 62.82 3ihh s VAL 73 Cb -0.58 -3.48 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 3ihh s VAL 73 CO 0.36 0.56 2.06 0.33 0.00 0.00 0.00 175.10 178.41 3ihh n PHE 74 N 1.78 2.52 -0.34 5.22 7.35 -1.26 -4.75 117.46 127.97 3ihh n PHE 74 Ca -0.17 -2.28 0.09 0.00 -0.76 0.00 0.00 57.45 54.32 3ihh n PHE 74 Cb 0.54 -2.05 0.28 0.00 0.35 0.00 0.00 39.48 38.61 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 7.10 1.06 -0.76 -5.13 2.91 -1.99 -1.13 115.95 118.02 3ihh h TRP 75 Ca 0.49 0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.60 3ihh h TRP 75 Cb 0.65 -0.34 -0.06 0.00 -0.51 0.00 0.00 29.16 28.90 3ihh h TRP 75 CO 1.35 0.41 0.44 -0.22 -1.03 0.00 0.00 178.44 179.38 3ihh h LYS 76 N 0.91 0.77 -0.13 2.65 3.64 -2.00 -0.12 116.57 122.28 3ihh h LYS 76 Ca 0.49 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.81 3ihh h LYS 76 Cb 0.56 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3ihh h LYS 76 CO -0.25 0.51 0.02 0.78 -2.27 0.00 0.00 179.45 178.23 3ihh h GLY 77 N 0.79 0.23 0.17 5.01 0.00 -1.63 -1.03 103.07 106.61 3ihh h GLY 77 Ca 0.34 -0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.57 3ihh h GLY 77 CO -0.20 0.14 -0.27 -2.08 0.00 0.00 0.00 176.54 174.13 3ihh h VAL 78 N -0.02 0.35 -0.08 4.60 2.07 -0.81 -0.06 116.25 122.30 3ihh h VAL 78 Ca 0.04 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 3ihh h VAL 78 Cb 0.31 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3ihh h VAL 78 CO 0.00 0.00 -0.13 0.25 0.02 0.00 0.00 177.57 177.71 3ihh h LEU 79 N -0.32 0.26 -0.87 2.57 5.85 -0.96 -1.87 115.31 119.97 3ihh h LEU 79 Ca 0.11 -0.54 -0.06 0.00 0.84 0.00 0.00 57.88 58.23 3ihh h LEU 79 Cb 0.49 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3ihh h LEU 79 CO -0.36 0.74 0.12 -0.33 -0.34 0.00 0.00 178.44 178.27 3ihh h GLU 80 N -0.23 0.96 -0.33 1.25 4.39 -1.17 -1.78 114.58 117.67 3ihh h GLU 80 Ca 0.01 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 3ihh h GLU 80 Cb 0.69 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 3ihh h GLU 80 CO 0.03 0.87 0.18 1.49 -1.16 0.00 0.00 179.01 180.42 3ihh h GLU 81 N 0.91 0.47 -0.41 2.33 4.81 -0.93 -1.18 114.58 120.58 3ihh h GLU 81 Ca 0.19 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 3ihh h GLU 81 Cb 0.36 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3ihh h GLU 81 CO 0.00 0.40 -0.10 1.25 -0.73 0.00 0.00 179.01 179.84 3ihh h LEU 82 N 0.41 0.71 -1.15 1.64 5.85 -0.99 -1.21 115.31 120.57 3ihh h LEU 82 Ca 0.12 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 3ihh h LEU 82 Cb 0.08 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3ihh h LEU 82 CO -0.02 0.84 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.46 3ihh h LEU 83 N 0.66 0.06 0.05 2.25 3.38 -0.96 -1.04 115.31 119.71 3ihh h LEU 83 Ca 0.12 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ihh h LEU 83 Cb 0.56 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3ihh h LEU 83 CO 0.03 0.45 -0.02 -0.25 0.09 0.00 0.00 178.44 178.74 3ihh h TRP 84 N 0.05 -0.06 -0.85 1.13 7.01 -0.68 -2.32 115.95 120.23 3ihh h TRP 84 Ca 0.00 -0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.13 3ihh h TRP 84 Cb 0.72 0.02 -0.14 0.00 -2.10 0.00 0.00 29.16 27.66 3ihh h TRP 84 CO 0.00 0.39 -0.40 0.74 -2.79 0.00 0.00 178.44 176.39 3ihh h PHE 85 N -0.54 -1.13 -0.71 2.65 0.04 -1.07 -2.31 116.94 113.86 3ihh h PHE 85 Ca -0.01 0.10 -0.05 0.00 2.80 0.00 0.00 57.97 60.81 3ihh h PHE 85 Cb 0.48 0.62 -0.03 0.00 2.20 0.00 0.00 35.95 39.22 3ihh h PHE 85 CO 0.08 -0.40 0.26 0.82 -0.60 0.00 0.00 178.31 178.48 3ihh h ILE 86 N -0.07 1.25 0.00 -0.55 2.04 -1.07 -0.61 117.51 118.50 3ihh h ILE 86 Ca 0.29 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3ihh h ILE 86 Cb 0.57 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3ihh h ILE 86 CO -0.87 0.32 0.00 2.29 0.00 0.00 0.00 178.15 179.89 3ihh n LYS 87 N -4.28 0.84 -1.07 2.37 2.85 -0.89 -4.88 118.16 113.11 3ihh n LYS 87 Ca 0.06 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.30 3ihh n LYS 87 Cb 0.19 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.06 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 0.76 0.57 3.77 2.58 0.00 -0.24 -5.00 105.19 107.62 3ihh n GLY 88 Ca 0.20 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.93 6.93 -0.10 1.61 0.15 -0.90 -4.06 113.70 114.41 3ihh s SER 89 Ca 0.00 2.21 0.15 0.00 0.70 0.00 0.00 55.95 59.01 3ihh s SER 89 Cb 0.00 -2.61 0.23 0.00 -1.71 0.00 0.00 66.02 61.93 3ihh s SER 89 CO 0.00 -0.38 1.11 0.35 1.20 0.00 0.00 173.24 175.52 3ihh n THR 90 N 0.51 1.52 -3.55 6.45 -2.24 -1.26 -4.20 114.28 111.51 3ihh n THR 90 Ca 0.02 -1.81 -0.41 0.00 -2.27 0.00 0.00 64.05 59.57 3ihh n THR 90 Cb 0.47 -0.08 -0.10 0.00 -2.10 0.00 0.00 70.33 68.53 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 -2.47 5.76 0.36 3.42 3.84 -1.26 -1.49 114.94 123.11 3ihh s ASN 91 Ca 0.25 -1.41 0.11 0.00 0.21 0.00 0.00 52.86 52.02 3ihh s ASN 91 Cb 0.22 -2.04 0.89 0.00 -0.55 0.00 0.00 41.25 39.77 3ihh s ASN 91 CO 0.02 -0.55 1.82 0.00 -2.79 0.00 0.00 177.10 175.61 3ihh h ALA 92 N 8.49 1.92 -0.66 1.71 0.00 -0.68 -1.45 119.26 128.58 3ihh h ALA 92 Ca -0.24 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.76 3ihh h ALA 92 Cb 1.09 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3ihh h ALA 92 CO 0.78 -0.23 0.43 0.87 0.00 0.00 0.00 179.25 181.10 3ihh h LYS 93 N 0.61 0.67 0.00 0.00 1.57 -1.90 0.21 116.57 117.74 3ihh h LYS 93 Ca 0.51 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.23 3ihh h LYS 93 Cb 0.98 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 3ihh h LYS 93 CO -0.26 0.44 -0.09 1.49 -0.57 0.00 0.00 179.45 180.46 3ihh h GLU 94 N 0.69 0.00 0.10 3.15 4.57 -1.65 -0.20 114.58 121.24 3ihh h GLU 94 Ca 0.28 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 58.13 3ihh h GLU 94 Cb 0.23 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 3ihh h GLU 94 CO -0.09 0.09 -1.75 1.25 -1.18 0.00 0.00 179.01 177.33 3ihh h LEU 95 N 0.00 0.34 -1.87 1.64 5.85 -1.10 -3.38 115.31 116.79 3ihh h LEU 95 Ca -0.00 -0.85 0.12 0.00 0.84 0.00 0.00 57.88 57.99 3ihh h LEU 95 Cb 0.54 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3ihh h LEU 95 CO 0.01 1.75 0.35 -1.28 -0.34 0.00 0.00 178.44 178.93 3ihh h SER 96 N -0.20 0.13 0.96 1.25 0.87 -0.28 -1.02 113.55 115.26 3ihh h SER 96 Ca -0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 3ihh h SER 96 Cb 1.85 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.79 3ihh h SER 96 CO 0.03 0.07 0.00 -1.54 -0.53 0.00 0.00 176.83 174.86 3ihh n SER 97 N -4.43 0.55 -0.74 6.23 3.41 -0.12 -1.52 113.62 116.99 3ihh n SER 97 Ca 0.09 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 3ihh n SER 97 Cb 0.48 -0.73 0.33 0.00 -0.26 0.00 0.00 64.21 64.03 3ihh n SER 97 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ihh n LYS 98 N -2.06 2.00 -0.75 4.33 4.01 -0.39 -4.92 118.16 120.37 3ihh n LYS 98 Ca 0.04 -1.48 0.00 0.00 -0.51 0.00 0.00 58.31 56.36 3ihh n LYS 98 Cb 0.30 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.36 3ihh n LYS 98 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3ihh n GLY 99 N 1.27 0.59 3.06 0.72 0.00 -0.57 -5.05 105.19 105.20 3ihh n GLY 99 Ca 0.17 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.00 2.14 -1.31 1.61 1.01 -1.18 -5.00 120.40 115.67 3ihh s VAL 100 Ca 0.00 -1.62 0.19 0.00 0.00 0.00 0.00 61.98 60.54 3ihh s VAL 100 Cb 0.00 -2.26 0.63 0.00 0.00 0.00 0.00 36.38 34.75 3ihh s VAL 100 CO 0.00 -0.04 1.54 0.54 0.00 0.00 0.00 175.10 177.14 3ihh n ARG 101 N 4.44 3.26 0.23 2.72 1.74 -1.26 -2.77 116.66 125.02 3ihh n ARG 101 Ca -0.14 -2.70 0.09 0.00 -0.77 0.00 0.00 57.85 54.33 3ihh n ARG 101 Cb 0.42 -1.70 0.57 0.00 -1.02 0.00 0.00 32.46 30.73 3ihh n ARG 101 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 3ihh h ILE 102 N 3.73 0.81 -0.02 0.55 3.07 -1.95 -2.13 117.51 121.57 3ihh h ILE 102 Ca 0.00 -0.83 0.00 0.00 1.55 0.00 0.00 64.86 65.58 3ihh h ILE 102 Cb 1.21 1.50 0.00 0.00 -0.27 0.00 0.00 36.82 39.25 3ihh h ILE 102 CO 0.13 0.21 -0.31 0.79 -1.05 0.00 0.00 178.15 177.91 3ihh n TRP 103 N -3.80 0.00 -0.01 0.16 7.02 -1.26 -4.73 117.44 114.82 3ihh n TRP 103 Ca -0.02 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.37 3ihh n TRP 103 Cb 0.31 -0.03 -0.04 0.00 -2.42 0.00 0.00 31.31 29.13 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 2.57 -0.12 -0.40 -0.99 3.32 -1.71 -1.92 116.42 117.16 3ihh h ASP 104 Ca 0.00 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3ihh h ASP 104 Cb 0.73 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 3ihh h ASP 104 CO 0.00 -0.04 0.18 0.00 -1.72 0.00 0.00 179.24 177.65 3ihh h ALA 105 N 1.13 1.46 0.00 3.45 0.00 -1.85 -1.17 119.26 122.29 3ihh h ALA 105 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3ihh h ALA 105 Cb 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3ihh h ALA 105 CO -0.14 0.41 -0.16 -0.91 0.00 0.00 0.00 179.25 178.46 3ihh h ASN 106 N 0.65 0.00 -0.45 0.00 4.21 -1.68 -2.90 115.58 115.41 3ihh h ASN 106 Ca 0.16 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.67 3ihh h ASN 106 Cb 0.14 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 3ihh h ASN 106 CO -0.01 0.16 0.00 0.61 -1.29 0.00 0.00 177.43 176.89 3ihh n GLY 107 N -0.74 2.35 3.82 2.83 0.00 -0.49 -4.42 105.19 108.55 3ihh n GLY 107 Ca -0.02 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.05 6.08 0.13 1.61 1.04 -0.94 0.54 113.70 121.13 3ihh s SER 108 Ca 0.32 1.69 -0.27 0.00 0.48 0.00 0.00 55.95 58.17 3ihh s SER 108 Cb 0.17 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.74 3ihh s SER 108 CO 0.23 -0.96 1.60 -0.09 0.98 0.00 0.00 173.24 175.00 3ihh h ARG 109 N 0.48 -0.43 -0.87 4.02 1.12 -1.92 0.18 114.38 116.96 3ihh h ARG 109 Ca -0.46 0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.42 3ihh h ARG 109 Cb 1.20 0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 31.22 3ihh h ARG 109 CO 0.59 -0.28 0.48 -0.44 -3.11 0.00 0.00 179.97 177.21 3ihh h ASP 110 N -0.44 1.08 -0.05 -3.80 3.45 -1.94 0.13 116.42 114.84 3ihh h ASP 110 Ca 0.09 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.43 3ihh h ASP 110 Cb 0.58 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 39.08 3ihh h ASP 110 CO -0.37 0.86 -0.06 0.15 -1.57 0.00 0.00 179.24 178.26 3ihh h PHE 111 N 1.21 0.15 -0.75 4.55 3.57 -1.61 -1.93 116.94 122.12 3ihh h PHE 111 Ca 0.31 -0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.88 3ihh h PHE 111 Cb 0.02 -0.03 -0.09 0.00 2.79 0.00 0.00 35.95 38.64 3ihh h PHE 111 CO 0.01 0.59 0.34 -0.07 -2.23 0.00 0.00 178.31 176.95 3ihh h LEU 112 N -0.33 0.38 -0.92 0.59 3.38 -0.52 -2.30 115.31 115.59 3ihh h LEU 112 Ca 0.01 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3ihh h LEU 112 Cb 0.57 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 3ihh h LEU 112 CO 0.01 0.18 0.44 0.44 0.09 0.00 0.00 178.44 179.60 3ihh h ASP 113 N 0.52 1.09 -0.02 -0.43 3.32 -0.88 -0.51 116.42 119.51 3ihh h ASP 113 Ca 0.40 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.35 3ihh h ASP 113 Cb 0.54 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3ihh h ASP 113 CO -0.35 0.89 0.08 0.77 -1.72 0.00 0.00 179.24 178.92 3ihh h SER 114 N 1.20 0.00 -0.19 6.45 4.64 -0.76 -0.93 113.55 123.97 3ihh h SER 114 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3ihh h SER 114 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3ihh h SER 114 CO -0.04 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.10 3ihh n LEU 115 N -3.26 3.08 0.00 5.97 4.77 -1.04 -4.96 117.00 121.56 3ihh n LEU 115 Ca -0.02 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.72 3ihh n LEU 115 Cb 0.16 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3ihh n LEU 115 CO 0.21 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 3ihh n GLY 116 N 1.31 0.49 2.78 -0.72 0.00 -0.35 -4.99 105.19 103.72 3ihh n GLY 116 Ca 0.15 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.87 3.11 0.50 1.61 3.72 -0.23 -4.70 117.46 118.60 3ihh n PHE 117 Ca 0.00 -2.61 0.13 0.00 -0.05 0.00 0.00 57.45 54.91 3ihh n PHE 117 Cb 0.03 -0.90 0.43 0.00 -0.94 0.00 0.00 39.48 38.10 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 3.05 0.00 1.43 4.37 4.64 -1.85 -2.34 113.55 122.85 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 1.24 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 177.20 3ihh h ALA 119 N 2.37 1.00 -2.46 5.18 0.00 -1.95 -3.46 119.26 119.94 3ihh h ALA 119 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3ihh h ALA 119 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3ihh h ALA 119 CO 0.00 0.00 0.12 1.03 0.00 0.00 0.00 179.25 180.40 3ihh s ARG 120 N -3.28 4.20 0.52 0.00 0.52 -0.88 -5.05 118.95 114.99 3ihh s ARG 120 Ca 0.07 0.84 -0.20 0.00 -0.52 0.00 0.00 55.73 55.92 3ihh s ARG 120 Cb 0.09 -2.74 -0.06 0.00 0.52 0.00 0.00 34.95 32.75 3ihh s ARG 120 CO 0.57 0.32 1.13 -0.65 0.02 0.00 0.00 175.30 176.69 3ihh s GLN 121 N -2.27 3.50 0.15 3.54 -1.52 -1.26 -4.95 119.66 116.86 3ihh s GLN 121 Ca 0.47 1.63 -0.33 0.00 -1.95 0.00 0.00 55.36 55.18 3ihh s GLN 121 Cb -0.15 -2.12 -0.17 0.00 -0.22 0.00 0.00 33.01 30.36 3ihh s GLN 121 CO 0.20 -0.73 1.01 -1.91 -0.25 0.00 0.00 175.29 173.61 3ihh n GLU 122 N -1.05 0.73 0.00 2.91 2.13 -1.26 -1.94 120.64 122.16 3ihh n GLU 122 Ca 0.10 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.18 3ihh n GLU 122 Cb 0.50 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.56 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 1.87 2.27 3.53 8.31 0.00 0.19 -4.88 105.19 116.47 3ihh n GLY 123 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.56 6.20 0.00 1.61 -1.08 -0.82 0.11 116.67 121.14 3ihh s ASP 124 Ca 0.00 -0.53 0.29 0.00 -0.52 0.00 0.00 52.55 51.79 3ihh s ASP 124 Cb 0.00 -2.52 1.31 0.00 -1.46 0.00 0.00 42.92 40.25 3ihh s ASP 124 CO 0.00 -1.67 1.92 0.18 0.52 0.00 0.00 175.17 176.12 3ihh n LEU 125 N 8.75 0.30 0.00 -1.34 4.77 -0.56 -4.90 117.00 124.02 3ihh n LEU 125 Ca 0.02 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3ihh n LEU 125 Cb 0.48 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3ihh n LEU 125 CO 0.69 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3ihh n GLY 126 N 1.29 -1.95 2.54 -0.72 0.00 -1.26 -0.70 105.19 104.39 3ihh n GLY 126 Ca 0.14 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 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 0.00 3.09 -0.07 1.61 -0.04 -1.26 -4.81 135.00 133.52 3ihh n PRO 127 Ca 0.00 -2.24 0.00 0.00 -0.04 0.00 0.00 63.50 61.22 3ihh n PRO 127 Cb 0.00 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 30.52 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 4.34 0.00 -0.09 0.52 0.24 -1.26 -4.53 118.33 117.55 3ihh n VAL 128 Ca 0.64 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.86 3ihh n VAL 128 Cb 0.29 -1.58 -0.02 0.00 -1.47 0.00 0.00 33.84 31.06 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 -0.09 -0.87 -0.96 6.34 -1.99 -1.90 -1.08 116.97 116.42 3ihh h TYR 129 Ca 0.00 0.05 0.15 0.00 2.00 0.00 0.00 58.73 60.93 3ihh h TYR 129 Cb 0.00 0.43 -0.08 0.00 2.00 0.00 0.00 36.73 39.07 3ihh h TYR 129 CO 0.00 -0.38 0.61 0.78 -0.00 0.00 0.00 178.16 179.17 3ihh h GLY 130 N -0.28 1.48 0.49 3.88 0.00 -1.74 0.10 103.07 107.01 3ihh h GLY 130 Ca 0.15 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3ihh h GLY 130 CO -0.49 0.07 -0.02 -2.75 0.00 0.00 0.00 176.54 173.35 3ihh h PHE 131 N 0.80 0.05 -0.56 5.60 3.57 -1.36 -2.26 116.94 122.78 3ihh h PHE 131 Ca 0.50 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.96 3ihh h PHE 131 Cb 0.71 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 3ihh h PHE 131 CO -0.00 0.56 0.25 1.96 -2.23 0.00 0.00 178.31 178.85 3ihh h GLN 132 N -0.48 0.79 -0.03 1.11 1.08 -0.72 0.50 115.11 117.36 3ihh h GLN 132 Ca 0.00 -0.10 -0.10 0.00 -1.45 0.00 0.00 58.65 57.00 3ihh h GLN 132 Cb 0.56 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 3ihh h GLN 132 CO 0.00 0.63 -0.43 -1.49 -0.95 0.00 0.00 178.83 176.59 3ihh h TRP 133 N 0.79 0.08 0.00 2.96 4.06 -0.77 -3.04 115.95 120.03 3ihh h TRP 133 Ca 0.19 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.12 3ihh h TRP 133 Cb 0.11 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.25 3ihh h TRP 133 CO 0.01 0.49 -0.75 0.54 -3.56 0.00 0.00 178.44 175.17 3ihh n ARG 134 N -4.02 2.84 -2.49 0.49 5.12 -0.85 -1.28 116.66 116.47 3ihh n ARG 134 Ca -0.02 -0.03 -0.00 0.00 -1.93 0.00 0.00 57.85 55.87 3ihh n ARG 134 Cb 0.47 -0.98 0.06 0.00 -1.16 0.00 0.00 32.46 30.85 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 -1.41 0.15 -1.67 -1.55 8.25 0.17 -3.53 115.22 115.62 3ihh n HIS 135 Ca 0.00 -1.70 -0.49 0.00 -0.26 0.00 0.00 57.72 55.28 3ihh n HIS 135 Cb 0.15 0.29 -0.05 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.65 2.23 -0.03 4.41 -0.00 -0.62 -2.07 117.46 120.73 3ihh n PHE 136 Ca -0.02 0.18 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 3ihh n PHE 136 Cb 0.86 -2.58 0.00 0.00 -0.00 0.00 0.00 39.48 37.76 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 3.92 0.64 3.80 7.13 0.00 -1.26 -0.43 105.19 118.98 3ihh n GLY 137 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.25 2.63 -0.37 4.61 0.00 -0.88 -4.84 121.76 120.66 3ihh s ALA 138 Ca 0.00 0.30 -0.28 0.00 0.00 0.00 0.00 51.96 51.98 3ihh s ALA 138 Cb 0.00 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.91 3ihh s ALA 138 CO 0.00 -1.11 1.02 -1.21 0.00 0.00 0.00 175.76 174.45 3ihh s GLU 139 N -4.49 3.89 0.16 0.00 0.41 -1.26 -4.99 118.70 112.43 3ihh s GLU 139 Ca 0.62 0.74 -0.30 0.00 -0.41 0.00 0.00 54.97 55.62 3ihh s GLU 139 Cb -0.16 -3.80 -0.08 0.00 -1.78 0.00 0.00 34.13 28.31 3ihh s GLU 139 CO 0.46 -1.02 1.24 -0.47 -0.49 0.00 0.00 175.26 174.98 3ihh s TYR 140 N 3.73 3.37 0.00 1.61 5.04 -1.26 -4.95 117.35 124.88 3ihh s TYR 140 Ca 0.42 1.31 0.00 0.00 -2.44 0.00 0.00 57.07 56.36 3ihh s TYR 140 Cb -0.11 -3.50 0.00 0.00 0.35 0.00 0.00 41.96 38.70 3ihh s TYR 140 CO 0.20 -1.49 0.00 1.63 -1.34 0.00 0.00 175.55 174.55 3ihh n LYS 141 N 2.89 0.00 -3.77 4.97 5.02 -1.26 -5.11 118.16 120.90 3ihh n LYS 141 Ca 0.06 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.20 3ihh n LYS 141 Cb 0.44 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.40 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 -1.16 -0.84 0.18 4.39 5.68 -1.26 -5.03 116.55 118.50 3ihh n ASP 142 Ca 0.00 -2.75 0.14 0.00 -0.50 0.00 0.00 54.79 51.68 3ihh n ASP 142 Cb 0.00 1.74 0.50 0.00 -1.14 0.00 0.00 41.12 42.22 3ihh n ASP 142 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ihh h MET 143 N 0.00 0.00 -0.04 0.11 -0.00 -1.95 -2.70 114.93 110.35 3ihh h MET 143 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.49 3ihh h MET 143 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.61 3ihh h MET 143 CO 0.30 0.00 0.00 -0.25 -0.00 0.00 0.00 176.91 176.96 3ihh n ASP 144 N -2.59 2.55 -4.77 -0.10 8.00 -1.26 -4.73 116.55 113.64 3ihh n ASP 144 Ca 0.02 -1.85 -0.36 0.00 0.71 0.00 0.00 54.79 53.32 3ihh n ASP 144 Cb 0.32 -0.01 -0.00 0.00 -0.02 0.00 0.00 41.12 41.41 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 -1.98 5.94 -0.50 -2.24 0.01 -1.02 -4.98 113.70 108.93 3ihh s SER 145 Ca 0.31 2.22 -0.24 0.00 1.31 0.00 0.00 55.95 59.56 3ihh s SER 145 Cb 0.20 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.88 3ihh s SER 145 CO 0.31 -1.07 0.88 -0.62 0.41 0.00 0.00 173.24 173.15 3ihh s ASP 146 N -1.60 6.39 -0.18 2.44 2.15 -1.26 -4.83 116.67 119.77 3ihh s ASP 146 Ca 0.69 -0.21 0.16 0.00 0.43 0.00 0.00 52.55 53.61 3ihh s ASP 146 Cb -0.26 -2.42 0.72 0.00 -0.30 0.00 0.00 42.92 40.67 3ihh s ASP 146 CO 0.30 -1.08 1.64 -1.22 -0.17 0.00 0.00 175.17 174.64 3ihh n TYR 147 N 7.12 1.65 -1.08 -5.34 4.01 -1.26 -4.98 117.16 117.28 3ihh n TYR 147 Ca 0.02 -0.72 -0.43 0.00 -0.16 0.00 0.00 57.90 56.61 3ihh n TYR 147 Cb 0.48 -0.38 -0.11 0.00 -0.31 0.00 0.00 39.34 39.02 3ihh n TYR 147 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3ihh n SER 148 N 0.56 0.48 -0.30 7.72 7.64 -1.26 -0.42 113.62 128.04 3ihh n SER 148 Ca 0.26 0.41 -0.04 0.00 1.01 0.00 0.00 58.87 60.51 3ihh n SER 148 Cb 1.03 -0.74 -0.02 0.00 -1.01 0.00 0.00 64.21 63.48 3ihh n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ihh n GLY 149 N 5.81 0.54 3.84 0.23 0.00 -1.26 -5.01 105.19 109.33 3ihh n GLY 149 Ca 0.48 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.82 4.09 0.88 1.61 -0.21 0.44 -4.96 119.66 119.69 3ihh s GLN 150 Ca 0.00 0.69 0.00 0.00 0.02 0.00 0.00 55.36 56.07 3ihh s GLN 150 Cb 0.00 -2.72 0.00 0.00 1.00 0.00 0.00 33.01 31.29 3ihh s GLN 150 CO 0.00 0.32 0.00 0.41 -2.12 0.00 0.00 175.29 173.90 3ihh n GLY 151 N 0.30 -1.85 3.68 3.09 0.00 -1.26 -4.36 105.19 104.79 3ihh n GLY 151 Ca -0.01 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.60 5.15 -1.09 1.61 1.01 0.42 -4.72 120.40 122.18 3ihh s VAL 152 Ca 0.00 0.90 -0.20 0.00 0.00 0.00 0.00 61.98 62.68 3ihh s VAL 152 Cb 0.00 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.66 3ihh s VAL 152 CO 0.00 0.23 1.45 -0.62 0.00 0.00 0.00 175.10 176.16 3ihh s ASP 153 N 1.00 6.67 0.28 3.32 -1.08 -1.23 -1.59 116.67 124.04 3ihh s ASP 153 Ca 0.23 -1.97 0.00 0.00 -0.52 0.00 0.00 52.55 50.30 3ihh s ASP 153 Cb -0.15 -2.52 0.42 0.00 -1.46 0.00 0.00 42.92 39.21 3ihh s ASP 153 CO 0.09 -1.26 1.79 1.56 0.52 0.00 0.00 175.17 177.88 3ihh h GLN 154 N 8.80 0.69 -0.17 4.34 4.20 -1.45 0.10 115.11 131.63 3ihh h GLN 154 Ca 0.26 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 3ihh h GLN 154 Cb 0.97 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 3ihh h GLN 154 CO 1.35 0.72 -0.02 1.25 -0.67 0.00 0.00 178.83 181.46 3ihh h LEU 155 N 0.65 0.31 -0.58 1.46 5.85 -1.82 0.19 115.31 121.37 3ihh h LEU 155 Ca 0.13 -0.34 -0.12 0.00 0.84 0.00 0.00 57.88 58.39 3ihh h LEU 155 Cb 0.43 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3ihh h LEU 155 CO 0.02 0.57 -0.21 -0.61 -0.34 0.00 0.00 178.44 177.87 3ihh h GLN 156 N 0.04 0.92 -0.17 1.25 5.75 -1.83 -2.31 115.11 118.75 3ihh h GLN 156 Ca 0.05 -0.38 0.03 0.00 -0.15 0.00 0.00 58.65 58.19 3ihh h GLN 156 Cb 0.43 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 3ihh h GLN 156 CO 0.01 1.04 0.01 -0.22 -2.65 0.00 0.00 178.83 177.01 3ihh h LYS 157 N 0.79 0.06 -0.66 1.69 3.64 -0.63 -1.24 116.57 120.23 3ihh h LYS 157 Ca 0.11 -0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.61 3ihh h LYS 157 Cb 0.77 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.48 3ihh h LYS 157 CO 0.06 0.04 0.16 0.28 -2.27 0.00 0.00 179.45 177.73 3ihh h VAL 158 N 0.07 0.61 -0.29 2.00 2.07 -0.42 -0.65 116.25 119.63 3ihh h VAL 158 Ca 0.08 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3ihh h VAL 158 Cb 0.09 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3ihh h VAL 158 CO -0.13 0.05 0.10 0.40 0.02 0.00 0.00 177.57 178.01 3ihh h ILE 159 N 0.29 1.19 -0.37 4.57 2.04 -1.00 -0.79 117.51 123.43 3ihh h ILE 159 Ca 0.36 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3ihh h ILE 159 Cb 0.55 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 3ihh h ILE 159 CO -0.44 0.20 0.18 0.44 0.00 0.00 0.00 178.15 178.54 3ihh h ASP 160 N 0.31 0.48 -0.76 1.72 3.32 -1.05 -2.29 116.42 118.15 3ihh h ASP 160 Ca 0.09 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 3ihh h ASP 160 Cb 0.22 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3ihh h ASP 160 CO -0.00 0.47 0.28 0.74 -1.72 0.00 0.00 179.24 179.01 3ihh h THR 161 N 0.46 1.26 -0.97 0.35 2.02 -0.91 -1.28 112.91 113.84 3ihh h THR 161 Ca 0.13 -0.84 0.04 0.00 0.77 0.00 0.00 66.41 66.50 3ihh h THR 161 Cb 0.11 0.38 -0.06 0.00 -1.74 0.00 0.00 68.15 66.84 3ihh h THR 161 CO -0.02 0.34 0.64 0.40 0.37 0.00 0.00 175.52 177.25 3ihh h ILE 162 N 1.11 1.17 -0.10 3.11 2.04 -0.91 0.24 117.51 124.16 3ihh h ILE 162 Ca 0.25 -0.42 -0.19 0.00 1.00 0.00 0.00 64.86 65.50 3ihh h ILE 162 Cb 0.24 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 3ihh h ILE 162 CO -0.02 0.22 -0.73 0.11 0.00 0.00 0.00 178.15 177.73 3ihh h LYS 163 N 1.22 0.51 0.00 2.37 1.57 -0.82 -3.21 116.57 118.21 3ihh h LYS 163 Ca 0.39 -0.41 -0.29 0.00 -1.87 0.00 0.00 60.65 58.46 3ihh h LYS 163 Cb 0.01 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 3ihh h LYS 163 CO -0.12 1.04 -2.20 0.25 -0.57 0.00 0.00 179.45 177.86 3ihh n THR 164 N -3.87 1.10 -3.07 -0.16 -2.24 -0.54 -4.71 114.28 100.80 3ihh n THR 164 Ca -0.05 -0.73 -0.18 0.00 -2.27 0.00 0.00 64.05 60.82 3ihh n THR 164 Cb 0.71 -0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 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 -2.61 -0.49 0.29 3.42 5.15 0.79 -4.98 115.26 116.82 3ihh n ASN 165 Ca -0.27 -2.96 0.17 0.00 -0.60 0.00 0.00 54.58 50.92 3ihh n ASN 165 Cb 1.02 0.06 0.87 0.00 -0.53 0.00 0.00 39.78 41.20 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 3.70 0.00 0.00 1.20 0.13 -1.56 -0.40 132.00 135.06 3ihh h PRO 166 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3ihh h PRO 166 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3ihh h PRO 166 CO 0.42 0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 177.99 3ihh n ASP 167 N -3.36 0.00 -4.76 1.44 8.00 -1.26 -3.70 116.55 112.91 3ihh n ASP 167 Ca -0.02 0.02 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 3ihh n ASP 167 Cb 0.20 -0.29 -0.01 0.00 -0.02 0.00 0.00 41.12 41.00 3ihh n ASP 167 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3ihh n ASP 168 N -1.29 3.80 -1.52 -2.24 2.03 -0.16 -4.90 116.55 112.27 3ihh n ASP 168 Ca 0.09 1.19 0.10 0.00 0.52 0.00 0.00 54.79 56.68 3ihh n ASP 168 Cb 0.15 -1.60 0.35 0.00 -0.72 0.00 0.00 41.12 39.30 3ihh n ASP 168 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3ihh n ARG 169 N 1.34 3.52 -0.43 -0.67 1.74 -1.26 -4.24 116.66 116.65 3ihh n ARG 169 Ca 0.05 -2.84 0.07 0.00 -0.77 0.00 0.00 57.85 54.37 3ihh n ARG 169 Cb 0.38 -1.82 0.17 0.00 -1.02 0.00 0.00 32.46 30.17 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 1.21 1.35 -2.89 5.56 3.00 -1.26 -4.98 116.66 118.65 3ihh n ARG 170 Ca 0.25 -2.90 -0.44 0.00 -0.01 0.00 0.00 57.85 54.76 3ihh n ARG 170 Cb 0.83 -1.47 -0.02 0.00 0.00 0.00 0.00 32.46 31.81 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 -2.86 4.76 -0.01 0.55 1.01 -1.26 -4.95 121.20 118.44 3ihh s ILE 171 Ca 0.34 -1.91 0.04 0.00 0.00 0.00 0.00 60.65 59.12 3ihh s ILE 171 Cb 0.32 -4.86 -0.01 0.00 0.01 0.00 0.00 42.46 37.92 3ihh s ILE 171 CO -0.03 -1.60 -0.14 -0.63 0.00 0.00 0.00 174.94 172.53 3ihh s ILE 172 N 2.51 1.15 -0.18 2.92 1.01 -1.26 -0.55 121.20 126.80 3ihh s ILE 172 Ca 0.38 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.43 3ihh s ILE 172 Cb -0.03 -0.97 0.03 0.00 0.01 0.00 0.00 42.46 41.50 3ihh s ILE 172 CO -0.05 0.33 -0.17 -0.32 0.00 0.00 0.00 174.94 174.73 3ihh s MET 173 N -0.28 2.65 -0.17 2.79 -2.45 0.12 -4.86 119.30 117.11 3ihh s MET 173 Ca 0.04 -0.82 -0.01 0.00 -1.25 0.00 0.00 55.69 53.66 3ihh s MET 173 Cb -0.06 -2.47 -0.00 0.00 1.25 0.00 0.00 34.83 33.54 3ihh s MET 173 CO -0.00 -0.27 -0.13 0.00 1.05 0.00 0.00 175.02 175.66 3ihh n ALA 175 N 4.20 2.80 -2.13 0.00 0.00 0.15 -4.73 120.51 120.80 3ihh n ALA 175 Ca -0.19 -0.45 -0.40 0.00 0.00 0.00 0.00 53.44 52.40 3ihh n ALA 175 Cb 0.51 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 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 -3.46 1.88 -0.47 0.00 -0.11 -0.88 -4.86 118.94 111.04 3ihh s TRP 176 Ca -0.05 0.66 0.03 0.00 1.22 0.00 0.00 56.10 57.96 3ihh s TRP 176 Cb 0.13 -4.19 0.13 0.00 -1.50 0.00 0.00 33.47 28.04 3ihh s TRP 176 CO 0.88 -2.37 0.23 1.21 -4.62 0.00 0.00 176.95 172.28 3ihh s ASN 177 N 6.53 4.08 0.32 5.86 3.84 -1.26 -5.00 114.94 129.31 3ihh s ASN 177 Ca 0.66 -2.77 0.09 0.00 0.21 0.00 0.00 52.86 51.05 3ihh s ASN 177 Cb -0.15 -1.39 0.87 0.00 -0.55 0.00 0.00 41.25 40.04 3ihh s ASN 177 CO 0.25 -0.26 1.73 -0.65 -2.79 0.00 0.00 177.10 175.38 3ihh h PRO 178 N 6.71 0.56 -0.85 0.43 0.11 -2.00 -0.77 132.00 136.18 3ihh h PRO 178 Ca -0.05 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 3ihh h PRO 178 Cb 0.92 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.86 3ihh h PRO 178 CO 0.59 0.37 0.52 -0.22 -0.21 0.00 0.00 178.00 179.05 3ihh h LYS 179 N 0.57 1.15 0.00 1.05 3.64 -2.02 -3.06 116.57 117.91 3ihh h LYS 179 Ca 0.64 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 3ihh h LYS 179 Cb 1.20 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3ihh h LYS 179 CO -0.48 0.81 -0.37 -0.25 -2.27 0.00 0.00 179.45 176.89 3ihh n ASP 180 N -4.43 0.55 -0.18 4.20 9.92 -0.39 -4.41 116.55 121.81 3ihh n ASP 180 Ca 0.09 0.18 -0.01 0.00 -0.53 0.00 0.00 54.79 54.52 3ihh n ASP 180 Cb 0.06 -0.11 0.08 0.00 -0.64 0.00 0.00 41.12 40.50 3ihh n ASP 180 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3ihh h LEU 181 N 0.00 -0.26 -1.77 0.64 5.85 -1.20 0.12 115.31 118.69 3ihh h LEU 181 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3ihh h LEU 181 Cb 0.64 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3ihh h LEU 181 CO 0.00 -0.10 0.00 -0.65 -0.34 0.00 0.00 178.44 177.35 3ihh h PRO 182 N 0.11 0.00 0.00 5.25 0.11 -1.80 -1.75 132.00 133.92 3ihh h PRO 182 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3ihh h PRO 182 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 3ihh h PRO 182 CO -0.48 0.00 -0.64 1.28 -0.21 0.00 0.00 178.00 177.95 3ihh n LEU 183 N -2.66 0.67 -4.80 2.35 4.77 0.01 -4.92 117.00 112.43 3ihh n LEU 183 Ca -0.01 0.20 -0.35 0.00 -0.03 0.00 0.00 56.01 55.81 3ihh n LEU 183 Cb 0.14 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 3ihh n LEU 183 CO 0.18 -0.03 0.66 -0.04 -1.33 0.00 0.00 177.39 176.83 3ihh s MET 184 N -3.16 4.38 0.45 3.23 -1.94 -0.66 -4.37 119.30 117.23 3ihh s MET 184 Ca 0.06 1.28 0.11 0.00 -1.71 0.00 0.00 55.69 55.43 3ihh s MET 184 Cb 0.14 -2.52 1.00 0.00 2.01 0.00 0.00 34.83 35.46 3ihh s MET 184 CO 0.72 0.09 2.07 0.00 -0.01 0.00 0.00 175.02 177.89 3ihh h ALA 185 N 2.59 1.78 -2.89 3.03 0.00 -1.23 -3.43 119.26 119.10 3ihh h ALA 185 Ca -0.48 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.24 3ihh h ALA 185 Cb 1.19 -0.09 -0.25 0.00 0.00 0.00 0.00 17.79 18.64 3ihh h ALA 185 CO 0.63 0.18 -0.32 -0.51 0.00 0.00 0.00 179.25 179.24 3ihh s LEU 186 N -9.20 0.62 0.49 0.00 1.02 -1.26 -5.07 118.68 105.28 3ihh s LEU 186 Ca -0.06 0.70 -0.22 0.00 0.02 0.00 0.00 54.13 54.57 3ihh s LEU 186 Cb 0.17 1.18 -0.07 0.00 0.02 0.00 0.00 46.19 47.49 3ihh s LEU 186 CO 0.71 -0.13 1.16 -2.16 0.02 0.00 0.00 176.35 175.95 3ihh s PRO 187 N 0.30 3.61 0.25 1.29 0.04 -1.26 -4.99 135.00 134.23 3ihh s PRO 187 Ca -0.01 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.47 3ihh s PRO 187 Cb -0.03 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 3ihh s PRO 187 CO -0.01 -0.67 1.22 -1.25 0.04 0.00 0.00 177.00 176.34 3ihh s PRO 188 N -2.89 4.48 0.12 0.56 0.04 -1.26 -4.94 135.00 131.10 3ihh s PRO 188 Ca 0.67 1.98 0.08 0.00 0.04 0.00 0.00 61.00 63.76 3ihh s PRO 188 Cb -0.27 -3.17 -0.20 0.00 0.04 0.00 0.00 34.50 30.90 3ihh s PRO 188 CO 0.32 -0.06 1.25 0.00 0.04 0.00 0.00 177.00 178.55 3ihh s HIS 190 N -2.72 3.84 0.17 0.00 3.76 -1.26 -0.49 115.29 118.58 3ihh s HIS 190 Ca 0.01 -2.26 -0.12 0.00 -0.15 0.00 0.00 55.06 52.54 3ihh s HIS 190 Cb 0.10 -4.01 0.07 0.00 1.11 0.00 0.00 32.58 29.84 3ihh s HIS 190 CO 0.82 -1.14 1.72 0.00 -0.85 0.00 0.00 174.74 175.29 3ihh h ALA 191 N 7.27 0.75 -2.78 -1.40 0.00 -1.54 -3.40 119.26 118.17 3ihh h ALA 191 Ca 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ihh h ALA 191 Cb 0.93 -0.22 -0.14 0.00 0.00 0.00 0.00 17.79 18.36 3ihh h ALA 191 CO 1.03 0.37 0.19 -0.48 0.00 0.00 0.00 179.25 180.36 3ihh s LEU 192 N -9.74 -0.52 0.06 0.00 0.05 -1.22 -0.68 118.68 106.63 3ihh s LEU 192 Ca -0.13 0.13 0.02 0.00 0.05 0.00 0.00 54.13 54.20 3ihh s LEU 192 Cb 0.13 2.53 -0.03 0.00 -2.05 0.00 0.00 46.19 46.77 3ihh s LEU 192 CO 0.79 -0.89 -0.07 0.00 -0.55 0.00 0.00 176.35 175.63 3ihh s GLN 194 N -2.42 0.84 0.29 0.00 0.74 -0.29 -0.70 119.66 118.12 3ihh s GLN 194 Ca -0.02 -0.39 0.09 0.00 0.05 0.00 0.00 55.36 55.08 3ihh s GLN 194 Cb -0.04 -0.81 -0.04 0.00 1.10 0.00 0.00 33.01 33.22 3ihh s GLN 194 CO -0.02 0.22 0.07 -0.06 -0.55 0.00 0.00 175.29 174.95 3ihh s PHE 195 N -0.29 2.75 -0.12 1.67 0.08 0.29 -0.69 117.98 121.65 3ihh s PHE 195 Ca 0.04 -0.26 -0.15 0.00 0.12 0.00 0.00 56.93 56.67 3ihh s PHE 195 Cb -0.04 -1.37 0.04 0.00 -0.57 0.00 0.00 43.02 41.08 3ihh s PHE 195 CO -0.00 0.52 0.41 -0.47 -0.10 0.00 0.00 175.22 175.57 3ihh s TYR 196 N -2.34 -0.42 -0.07 0.36 6.14 -0.24 -4.48 117.35 116.32 3ihh s TYR 196 Ca 0.34 0.96 0.03 0.00 0.64 0.00 0.00 57.07 59.04 3ihh s TYR 196 Cb -0.05 0.16 0.01 0.00 0.42 0.00 0.00 41.96 42.49 3ihh s TYR 196 CO 0.21 -0.27 -0.15 0.08 0.64 0.00 0.00 175.55 176.06 3ihh s VAL 197 N -0.14 1.33 0.02 3.14 1.01 -1.24 -0.50 120.40 124.01 3ihh s VAL 197 Ca -0.03 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 3ihh s VAL 197 Cb -0.03 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.19 3ihh s VAL 197 CO 0.02 0.40 0.35 0.54 0.00 0.00 0.00 175.10 176.41 3ihh s VAL 198 N 0.50 0.06 -1.44 2.92 0.11 -0.80 -4.67 120.40 117.09 3ihh s VAL 198 Ca -0.14 -0.51 -0.10 0.00 -2.93 0.00 0.00 61.98 58.30 3ihh s VAL 198 Cb -0.15 -0.82 0.07 0.00 -1.53 0.00 0.00 36.38 33.95 3ihh s VAL 198 CO 0.04 -0.28 0.71 -3.20 -3.33 0.00 0.00 175.10 169.04 3ihh n ASN 199 N 0.86 -4.61 -1.73 3.54 5.15 -1.26 -1.06 115.26 116.15 3ihh n ASN 199 Ca -0.20 -0.53 -0.20 0.00 -0.60 0.00 0.00 54.58 53.05 3ihh n ASN 199 Cb 0.58 -3.73 -0.07 0.00 -0.53 0.00 0.00 39.78 36.03 3ihh n ASN 199 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ihh n GLY 200 N -1.44 1.45 3.27 8.20 0.00 -1.26 -4.99 105.19 110.42 3ihh n GLY 200 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.93 2.32 -0.29 1.61 2.02 -0.23 -1.82 118.70 118.38 3ihh s GLU 201 Ca 0.00 -0.89 -0.13 0.00 0.02 0.00 0.00 54.97 53.97 3ihh s GLU 201 Cb 0.00 -2.06 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 3ihh s GLU 201 CO 0.00 0.43 0.29 -1.17 0.02 0.00 0.00 175.26 174.83 3ihh s LEU 202 N -0.31 4.12 0.31 1.80 2.96 0.05 -1.90 118.68 125.72 3ihh s LEU 202 Ca 0.01 0.05 0.08 0.00 -0.22 0.00 0.00 54.13 54.05 3ihh s LEU 202 Cb -0.12 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 3ihh s LEU 202 CO 0.02 -0.15 0.16 -0.44 -1.32 0.00 0.00 176.35 174.62 3ihh s SER 203 N 1.71 4.94 -0.01 3.68 0.01 0.34 -0.68 113.70 123.69 3ihh s SER 203 Ca 0.11 -0.60 -0.00 0.00 1.31 0.00 0.00 55.95 56.77 3ihh s SER 203 Cb -0.16 -0.92 0.01 0.00 0.21 0.00 0.00 66.02 65.16 3ihh s SER 203 CO 0.11 -0.22 0.02 0.00 0.41 0.00 0.00 173.24 173.56 3ihh s GLN 205 N 0.50 3.08 -0.14 0.00 0.74 0.13 -0.50 119.66 123.47 3ihh s GLN 205 Ca -0.04 -0.73 -0.03 0.00 0.05 0.00 0.00 55.36 54.61 3ihh s GLN 205 Cb -0.06 -2.50 -0.03 0.00 1.10 0.00 0.00 33.01 31.52 3ihh s GLN 205 CO -0.01 0.32 -0.04 -1.17 -0.55 0.00 0.00 175.29 173.84 3ihh s LEU 206 N 0.06 3.27 -0.50 3.68 2.96 -0.58 -1.13 118.68 126.44 3ihh s LEU 206 Ca -0.06 -0.10 -0.14 0.00 -0.22 0.00 0.00 54.13 53.61 3ihh s LEU 206 Cb -0.15 -1.78 0.11 0.00 0.50 0.00 0.00 46.19 44.87 3ihh s LEU 206 CO 0.05 0.20 0.43 -0.47 -1.32 0.00 0.00 176.35 175.23 3ihh s TYR 207 N 0.18 3.28 -0.31 5.38 5.04 -0.16 -1.22 117.35 129.54 3ihh s TYR 207 Ca -0.02 -1.29 -0.11 0.00 -2.44 0.00 0.00 57.07 53.22 3ihh s TYR 207 Cb -0.14 -3.50 -0.02 0.00 0.35 0.00 0.00 41.96 38.65 3ihh s TYR 207 CO 0.03 -0.94 0.18 -1.14 -1.34 0.00 0.00 175.55 172.34 3ihh s GLN 208 N 1.56 3.53 0.46 4.97 0.74 0.59 -1.62 119.66 129.89 3ihh s GLN 208 Ca 0.04 -0.60 0.25 0.00 0.05 0.00 0.00 55.36 55.10 3ihh s GLN 208 Cb -0.27 -3.64 1.00 0.00 1.10 0.00 0.00 33.01 31.20 3ihh s GLN 208 CO 0.03 -0.36 1.86 0.07 -0.55 0.00 0.00 175.29 176.34 3ihh h ARG 209 N 8.39 0.00 -2.12 1.67 0.11 -1.07 0.14 114.38 121.49 3ihh h ARG 209 Ca -0.33 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.78 3ihh h ARG 209 Cb 1.16 0.00 -0.22 0.00 1.11 0.00 0.00 29.97 32.02 3ihh h ARG 209 CO 0.61 0.19 -0.14 0.45 0.10 0.00 0.00 179.97 181.18 3ihh s SER 210 N -6.13 -0.92 -0.10 0.08 0.15 -1.26 -1.43 113.70 104.09 3ihh s SER 210 Ca 0.00 1.43 0.01 0.00 0.70 0.00 0.00 55.95 58.09 3ihh s SER 210 Cb 0.10 1.84 0.02 0.00 -1.71 0.00 0.00 66.02 66.28 3ihh s SER 210 CO 0.62 -0.22 -0.10 -0.83 1.20 0.00 0.00 173.24 173.91 3ihh s GLY 211 N 2.46 0.84 -0.68 9.45 0.00 -0.33 -4.92 107.32 114.13 3ihh s GLY 211 Ca -0.07 -0.53 -0.25 0.00 0.00 0.00 0.00 44.72 43.88 3ihh s GLY 211 CO -0.18 0.55 1.10 -0.35 0.00 0.00 0.00 173.10 174.23 3ihh s ASP 212 N 1.34 6.19 0.32 1.64 -1.08 -1.26 -1.37 116.67 122.45 3ihh s ASP 212 Ca -0.02 -0.68 0.00 0.00 -0.52 0.00 0.00 52.55 51.33 3ihh s ASP 212 Cb -0.14 -2.48 0.54 0.00 -1.46 0.00 0.00 42.92 39.38 3ihh s ASP 212 CO -0.04 -1.60 1.96 0.24 0.52 0.00 0.00 175.17 176.25 3ihh h MET 213 N 9.75 0.89 -0.11 4.34 2.86 -1.32 -0.94 114.93 130.40 3ihh h MET 213 Ca -0.28 -0.08 -0.20 0.00 -2.06 0.00 0.00 59.70 57.08 3ihh h MET 213 Cb 1.06 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 3ihh h MET 213 CO 1.22 0.63 -0.74 0.78 1.06 0.00 0.00 176.91 179.87 3ihh h GLY 214 N 0.95 0.59 0.00 8.32 0.00 -1.91 -3.40 103.07 107.62 3ihh h GLY 214 Ca 0.24 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3ihh h GLY 214 CO -0.04 0.74 -0.80 1.04 0.00 0.00 0.00 176.54 177.47 3ihh n LEU 215 N -3.87 1.16 -0.08 3.11 4.32 -1.18 -4.91 117.00 115.55 3ihh n LEU 215 Ca -0.05 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.82 3ihh n LEU 215 Cb 0.72 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.46 3ihh n LEU 215 CO 0.50 0.19 -0.37 1.23 -1.22 0.00 0.00 177.39 177.71 3ihh h GLY 216 N 0.00 0.00 0.28 -0.72 0.00 -1.46 -3.40 103.07 97.77 3ihh h GLY 216 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.45 3ihh h GLY 216 CO 0.00 0.00 0.35 -2.08 0.00 0.00 0.00 176.54 174.81 3ihh h VAL 217 N -1.00 0.74 -0.62 4.60 2.07 -1.46 -0.19 116.25 120.39 3ihh h VAL 217 Ca -0.14 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.24 3ihh h VAL 217 Cb 0.82 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 3ihh h VAL 217 CO -0.09 0.10 0.35 -0.65 0.02 0.00 0.00 177.57 177.30 3ihh h PRO 218 N 0.54 0.65 -0.59 1.57 0.11 -1.81 0.59 132.00 133.05 3ihh h PRO 218 Ca 0.40 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.49 3ihh h PRO 218 Cb 0.54 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.46 3ihh h PRO 218 CO -0.34 0.43 0.37 0.35 -0.21 0.00 0.00 178.00 178.60 3ihh h PHE 219 N 0.67 0.69 -0.66 0.65 3.04 -1.39 -2.54 116.94 117.40 3ihh h PHE 219 Ca 0.27 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.21 3ihh h PHE 219 Cb 0.12 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.37 3ihh h PHE 219 CO -0.07 0.41 0.31 -0.91 -2.02 0.00 0.00 178.31 176.02 3ihh h ASN 220 N 0.73 0.87 -0.40 0.41 -0.26 -0.07 -0.67 115.58 116.20 3ihh h ASN 220 Ca 0.23 -0.14 0.04 0.00 -0.56 0.00 0.00 56.30 55.87 3ihh h ASN 220 Cb -0.00 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 37.00 3ihh h ASN 220 CO -0.09 0.77 0.19 0.40 -1.06 0.00 0.00 177.43 177.63 3ihh h ILE 221 N 0.91 0.95 -0.79 2.81 2.04 -0.84 -1.67 117.51 120.93 3ihh h ILE 221 Ca 0.22 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 3ihh h ILE 221 Cb 0.14 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 3ihh h ILE 221 CO -0.03 0.07 0.41 0.00 0.00 0.00 0.00 178.15 178.61 3ihh h ALA 222 N 1.22 1.01 -0.11 1.87 0.00 -0.96 -1.47 119.26 120.83 3ihh h ALA 222 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ihh h ALA 222 Cb 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3ihh h ALA 222 CO -0.14 0.54 0.05 0.77 0.00 0.00 0.00 179.25 180.47 3ihh h SER 223 N 1.09 0.16 1.47 0.00 0.02 -0.49 0.09 113.55 115.89 3ihh h SER 223 Ca 0.27 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 3ihh h SER 223 Cb 0.06 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3ihh h SER 223 CO -0.04 0.27 -0.54 1.88 -1.14 0.00 0.00 176.83 177.26 3ihh h TYR 224 N 0.03 0.00 -0.21 3.45 -1.99 -1.25 -1.20 116.97 115.80 3ihh h TYR 224 Ca 0.04 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 3ihh h TYR 224 Cb 0.16 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 3ihh h TYR 224 CO -0.02 0.48 0.12 0.00 -0.00 0.00 0.00 178.16 178.75 3ihh h ALA 225 N 1.52 0.27 -0.22 3.88 0.00 -1.07 -1.17 119.26 122.47 3ihh h ALA 225 Ca -0.01 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3ihh h ALA 225 Cb 1.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3ihh h ALA 225 CO 0.06 -0.21 0.12 1.25 0.00 0.00 0.00 179.25 180.46 3ihh h LEU 226 N 0.25 0.18 -0.65 0.00 5.85 -0.67 -1.03 115.31 119.24 3ihh h LEU 226 Ca 0.07 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.87 3ihh h LEU 226 Cb 0.04 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 3ihh h LEU 226 CO -0.01 0.13 0.34 0.25 -0.34 0.00 0.00 178.44 178.81 3ihh h LEU 227 N 0.24 0.47 -0.25 2.25 5.85 -0.95 -0.18 115.31 122.75 3ihh h LEU 227 Ca 0.09 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3ihh h LEU 227 Cb 0.01 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3ihh h LEU 227 CO -0.06 0.30 0.14 0.74 -0.34 0.00 0.00 178.44 179.22 3ihh h THR 228 N 0.61 1.11 -0.38 1.05 2.02 -0.77 0.20 112.91 116.75 3ihh h THR 228 Ca 0.30 -0.28 0.08 0.00 0.77 0.00 0.00 66.41 67.28 3ihh h THR 228 Cb 0.24 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 67.42 3ihh h THR 228 CO -0.21 0.11 -0.10 1.88 0.37 0.00 0.00 175.52 177.56 3ihh h TYR 229 N 0.29 -0.23 0.25 3.16 -1.99 -0.51 0.10 116.97 118.06 3ihh h TYR 229 Ca 0.09 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.84 3ihh h TYR 229 Cb 0.05 0.16 0.00 0.00 2.00 0.00 0.00 36.73 38.94 3ihh h TYR 229 CO -0.04 -0.17 -0.13 0.52 -0.00 0.00 0.00 178.16 178.34 3ihh h MET 230 N -0.01 -0.34 -0.50 4.88 2.86 -0.67 0.12 114.93 121.27 3ihh h MET 230 Ca 0.18 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.81 3ihh h MET 230 Cb 0.29 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 3ihh h MET 230 CO -0.40 -0.23 0.16 0.82 1.06 0.00 0.00 176.91 178.32 3ihh h ILE 231 N -0.35 1.23 -0.51 -1.22 2.04 -0.83 -1.76 117.51 116.11 3ihh h ILE 231 Ca -0.03 -0.76 0.10 0.00 1.00 0.00 0.00 64.86 65.16 3ihh h ILE 231 Cb 0.27 0.79 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 3ihh h ILE 231 CO 0.05 0.28 0.05 0.00 0.00 0.00 0.00 178.15 178.53 3ihh h ALA 232 N 1.02 0.53 0.14 1.87 0.00 -0.63 -1.09 119.26 121.09 3ihh h ALA 232 Ca 0.16 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.21 3ihh h ALA 232 Cb 0.27 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3ihh h ALA 232 CO -0.01 -0.35 -0.15 1.25 0.00 0.00 0.00 179.25 179.99 3ihh h HIS 233 N 0.17 -0.40 -0.79 0.00 -0.00 -0.23 0.25 115.15 114.15 3ihh h HIS 233 Ca 0.26 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.69 3ihh h HIS 233 Cb 0.38 0.16 -0.05 0.00 -0.00 0.00 0.00 27.41 27.90 3ihh h HIS 233 CO -0.28 -0.23 0.52 0.82 -0.00 0.00 0.00 177.93 178.76 3ihh h ILE 234 N -0.33 1.07 -0.03 6.26 2.04 -0.98 -2.96 117.51 122.58 3ihh h ILE 234 Ca 0.01 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3ihh h ILE 234 Cb 0.32 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3ihh h ILE 234 CO -0.05 0.16 -0.00 0.35 0.00 0.00 0.00 178.15 178.61 3ihh n THR 235 N -4.47 0.00 -1.44 -0.27 -2.24 -0.44 -4.97 114.28 100.45 3ihh n THR 235 Ca 0.11 -0.45 -0.04 0.00 -2.27 0.00 0.00 64.05 61.40 3ihh n THR 235 Cb 0.18 1.29 -0.01 0.00 -2.10 0.00 0.00 70.33 69.69 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 1.31 0.53 3.81 3.38 0.00 0.01 -4.93 105.19 109.30 3ihh n GLY 236 Ca 0.15 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.00 3.40 -0.14 0.99 1.43 -0.78 -5.05 118.68 117.52 3ihh s LEU 237 Ca 0.00 -0.70 -0.09 0.00 -1.03 0.00 0.00 54.13 52.31 3ihh s LEU 237 Cb 0.00 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 3ihh s LEU 237 CO 0.00 -0.43 0.16 -1.10 0.23 0.00 0.00 176.35 175.20 3ihh s GLN 238 N -3.98 3.75 0.30 1.70 -1.52 -0.75 -4.43 119.66 114.72 3ihh s GLN 238 Ca 0.42 -0.12 -0.30 0.00 -1.95 0.00 0.00 55.36 53.41 3ihh s GLN 238 Cb -0.03 -3.28 -0.12 0.00 -0.22 0.00 0.00 33.01 29.36 3ihh s GLN 238 CO 0.25 0.59 1.43 -2.30 -0.25 0.00 0.00 175.29 175.02 3ihh n PRO 239 N 2.55 2.31 0.00 2.91 -0.02 -1.26 -0.77 135.00 140.72 3ihh n PRO 239 Ca -0.18 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3ihh n PRO 239 Cb 0.54 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3ihh n PRO 239 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ihh n GLY 240 N 1.56 0.38 3.39 -1.23 0.00 0.14 -4.20 105.19 105.24 3ihh n GLY 240 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.13 3.23 -0.26 1.61 1.01 -1.26 0.00 116.67 120.87 3ihh s ASP 241 Ca 0.00 -0.82 -0.06 0.00 0.71 0.00 0.00 52.55 52.38 3ihh s ASP 241 Cb 0.00 -0.22 -0.00 0.00 1.01 0.00 0.00 42.92 43.70 3ihh s ASP 241 CO 0.00 0.11 0.04 0.12 0.21 0.00 0.00 175.17 175.65 3ihh s PHE 242 N -1.52 3.09 -0.25 4.23 5.36 0.02 -1.44 117.98 127.46 3ihh s PHE 242 Ca 0.17 -0.88 -0.09 0.00 -0.96 0.00 0.00 56.93 55.17 3ihh s PHE 242 Cb -0.08 -2.20 -0.04 0.00 -0.34 0.00 0.00 43.02 40.35 3ihh s PHE 242 CO 0.08 -0.53 0.13 0.08 -1.46 0.00 0.00 175.22 173.52 3ihh s VAL 243 N 1.51 4.97 -0.30 3.12 1.01 0.34 -0.75 120.40 130.30 3ihh s VAL 243 Ca 0.04 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 3ihh s VAL 243 Cb -0.16 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.90 3ihh s VAL 243 CO 0.01 0.32 0.09 -2.28 0.00 0.00 0.00 175.10 173.24 3ihh s HIS 244 N 1.40 3.15 -0.18 5.22 2.46 0.40 -1.53 115.29 126.22 3ihh s HIS 244 Ca 0.06 -0.92 -0.04 0.00 0.47 0.00 0.00 55.06 54.63 3ihh s HIS 244 Cb -0.15 -2.27 -0.02 0.00 -0.13 0.00 0.00 32.58 30.01 3ihh s HIS 244 CO 0.06 -0.56 -0.03 0.99 -2.47 0.00 0.00 174.74 172.73 3ihh s THR 245 N 1.52 3.82 0.00 0.89 2.01 -0.36 -1.19 115.64 122.33 3ihh s THR 245 Ca 0.03 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.67 3ihh s THR 245 Cb -0.17 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 3ihh s THR 245 CO 0.03 0.47 0.01 -0.76 -0.69 0.00 0.00 174.62 173.67 3ihh s LEU 246 N 0.68 3.54 0.00 4.42 1.43 -0.72 -0.30 118.68 127.73 3ihh s LEU 246 Ca -0.02 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3ihh s LEU 246 Cb -0.14 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.04 3ihh s LEU 246 CO 0.02 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.49 3ihh n GLY 247 N 1.36 1.39 3.52 -3.19 0.00 0.04 -2.02 105.19 106.28 3ihh n GLY 247 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 6.22 -0.33 1.61 -1.08 -0.51 -0.86 116.67 120.71 3ihh s ASP 248 Ca 0.00 -0.54 -0.21 0.00 -0.52 0.00 0.00 52.55 51.28 3ihh s ASP 248 Cb 0.00 -2.50 -0.00 0.00 -1.46 0.00 0.00 42.92 38.96 3ihh s ASP 248 CO 0.00 -1.61 0.67 0.00 0.52 0.00 0.00 175.17 174.75 3ihh s ALA 249 N 4.94 3.49 0.05 3.66 0.00 -0.26 -1.19 121.76 132.45 3ihh s ALA 249 Ca 0.31 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3ihh s ALA 249 Cb -0.11 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3ihh s ALA 249 CO 0.15 -1.24 -0.04 -3.38 0.00 0.00 0.00 175.76 171.25 3ihh s HIS 250 N 2.75 0.55 -0.17 0.00 -3.43 -0.47 -1.24 115.29 113.29 3ihh s HIS 250 Ca 0.27 -0.82 0.01 0.00 -0.80 0.00 0.00 55.06 53.72 3ihh s HIS 250 Cb -0.14 -0.36 0.02 0.00 -1.43 0.00 0.00 32.58 30.66 3ihh s HIS 250 CO 0.14 -0.24 -0.19 0.42 -2.00 0.00 0.00 174.74 172.86 3ihh s ILE 251 N -2.85 1.96 0.37 -5.38 1.01 0.03 -0.73 121.20 115.61 3ihh s ILE 251 Ca -0.00 -0.88 -0.28 0.00 0.00 0.00 0.00 60.65 59.48 3ihh s ILE 251 Cb 0.00 -1.77 -0.11 0.00 0.01 0.00 0.00 42.46 40.59 3ihh s ILE 251 CO -0.05 0.52 1.48 -0.31 0.00 0.00 0.00 174.94 176.58 3ihh s TYR 252 N 1.24 2.62 0.36 3.97 2.02 -1.26 -0.85 117.35 125.45 3ihh s TYR 252 Ca 0.03 1.18 0.15 0.00 -0.37 0.00 0.00 57.07 58.06 3ihh s TYR 252 Cb -0.13 -4.00 1.03 0.00 -0.40 0.00 0.00 41.96 38.46 3ihh s TYR 252 CO -0.11 -2.92 1.73 -0.07 -1.57 0.00 0.00 175.55 172.61 3ihh h LEU 253 N 3.07 0.54 -1.83 -1.29 3.38 -1.51 -0.19 115.31 117.50 3ihh h LEU 253 Ca -0.51 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3ihh h LEU 253 Cb 1.24 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3ihh h LEU 253 CO 0.65 0.04 0.00 -0.55 0.09 0.00 0.00 178.44 178.67 3ihh h ASN 254 N 0.44 0.00 0.04 -0.43 -1.07 -1.87 -2.92 115.58 109.77 3ihh h ASN 254 Ca 0.65 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.02 3ihh h ASN 254 Cb 1.49 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.74 3ihh h ASN 254 CO -0.43 0.00 -0.14 1.41 0.07 0.00 0.00 177.43 178.34 3ihh n HIS 255 N -2.96 0.00 -0.01 4.14 8.25 -0.08 -4.53 115.22 120.02 3ihh n HIS 255 Ca -0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 3ihh n HIS 255 Cb 0.22 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.26 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 2.68 0.95 -0.07 1.59 2.04 -1.56 -0.29 117.51 122.86 3ihh h ILE 256 Ca 0.00 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 3ihh h ILE 256 Cb 0.67 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3ihh h ILE 256 CO 0.00 0.02 -0.04 -0.33 0.00 0.00 0.00 178.15 177.80 3ihh h GLU 257 N 0.09 0.14 -0.71 2.37 4.39 -1.83 -0.36 114.58 118.68 3ihh h GLU 257 Ca 0.06 -0.07 0.12 0.00 0.34 0.00 0.00 59.36 59.81 3ihh h GLU 257 Cb 0.04 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.61 3ihh h GLU 257 CO -0.07 0.54 0.31 -1.35 -1.16 0.00 0.00 179.01 177.27 3ihh h PRO 258 N -0.25 0.48 -0.46 2.33 0.11 -1.81 -1.33 132.00 131.06 3ihh h PRO 258 Ca 0.01 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 3ihh h PRO 258 Cb 0.50 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 3ihh h PRO 258 CO 0.01 0.32 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.03 3ihh h LEU 259 N 0.49 0.74 -0.95 2.35 3.38 -0.92 -0.67 115.31 119.73 3ihh h LEU 259 Ca 0.37 -0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.29 3ihh h LEU 259 Cb 0.49 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 3ihh h LEU 259 CO -0.34 0.81 0.57 0.11 0.09 0.00 0.00 178.44 179.68 3ihh h LYS 260 N 0.71 0.85 -0.06 1.13 1.57 0.07 -0.46 116.57 120.37 3ihh h LYS 260 Ca 0.14 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3ihh h LYS 260 Cb 0.46 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3ihh h LYS 260 CO 0.02 0.56 -0.21 0.82 -0.57 0.00 0.00 179.45 180.07 3ihh h ILE 261 N 0.87 1.43 -0.91 1.86 2.04 -0.78 -3.09 117.51 118.93 3ihh h ILE 261 Ca 0.49 -1.60 0.13 0.00 1.00 0.00 0.00 64.86 64.88 3ihh h ILE 261 Cb 0.55 2.30 -0.09 0.00 -0.74 0.00 0.00 36.82 38.84 3ihh h ILE 261 CO -0.29 0.45 0.53 -0.61 0.00 0.00 0.00 178.15 178.23 3ihh h GLN 262 N -0.26 0.78 0.00 2.37 4.15 -0.95 -2.24 115.11 118.96 3ihh h GLN 262 Ca -0.01 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3ihh h GLN 262 Cb 0.83 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.35 3ihh h GLN 262 CO 0.04 0.51 0.00 -0.07 -1.93 0.00 0.00 178.83 177.39 3ihh h LEU 263 N 0.80 0.00 -0.52 -2.39 3.38 -0.99 0.86 115.31 116.45 3ihh h LEU 263 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3ihh h LEU 263 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3ihh h LEU 263 CO -0.31 0.00 -0.21 0.00 0.09 0.00 0.00 178.44 178.01 3ihh n GLN 264 N -2.93 0.91 -3.36 1.13 6.02 -0.84 -4.87 117.38 113.44 3ihh n GLN 264 Ca -0.02 -0.52 -0.38 0.00 -0.01 0.00 0.00 57.00 56.07 3ihh n GLN 264 Cb 0.09 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.80 3ihh n GLN 264 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3ihh s ARG 265 N -2.44 4.12 -0.22 -1.09 0.52 0.29 -5.04 118.95 115.09 3ihh s ARG 265 Ca 0.26 0.58 -0.24 0.00 -0.52 0.00 0.00 55.73 55.82 3ihh s ARG 265 Cb 0.19 -3.26 -0.01 0.00 0.52 0.00 0.00 34.95 32.39 3ihh s ARG 265 CO 0.49 0.58 0.78 -1.21 0.02 0.00 0.00 175.30 175.97 3ihh s GLU 266 N -0.82 4.20 0.53 3.54 0.41 -1.26 -4.97 118.70 120.33 3ihh s GLU 266 Ca 0.27 0.87 -0.22 0.00 -0.41 0.00 0.00 54.97 55.48 3ihh s GLU 266 Cb -0.18 -3.62 -0.06 0.00 -1.78 0.00 0.00 34.13 28.49 3ihh s GLU 266 CO 0.16 -0.43 1.19 -2.30 -0.49 0.00 0.00 175.26 173.39 3ihh n PRO 267 N 5.70 1.46 -3.57 0.39 -0.02 -1.26 -4.92 135.00 132.78 3ihh n PRO 267 Ca 0.04 0.54 -0.29 0.00 -2.02 0.00 0.00 63.50 61.77 3ihh n PRO 267 Cb 0.48 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 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 -2.65 3.59 0.32 -0.52 3.00 -1.26 -5.02 118.95 116.41 3ihh s ARG 268 Ca 0.70 -0.15 -0.28 0.00 0.00 0.00 0.00 55.73 56.00 3ihh s ARG 268 Cb -0.45 -2.77 -0.13 0.00 0.00 0.00 0.00 34.95 31.60 3ihh s ARG 268 CO 0.51 0.35 1.21 -2.30 0.00 0.00 0.00 175.30 175.07 3ihh n PRO 269 N -0.55 1.89 -1.08 3.54 -0.02 -1.26 -4.81 135.00 132.71 3ihh n PRO 269 Ca -0.03 0.66 -0.33 0.00 -2.02 0.00 0.00 63.50 61.78 3ihh n PRO 269 Cb 0.53 -2.19 0.13 0.00 -0.02 0.00 0.00 33.50 31.96 3ihh n PRO 269 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ihh n PHE 270 N 0.38 1.12 -1.46 6.00 3.72 -1.26 -4.78 117.46 121.18 3ihh n PHE 270 Ca 0.06 0.40 -0.26 0.00 -0.05 0.00 0.00 57.45 57.60 3ihh n PHE 270 Cb 0.35 -2.09 0.20 0.00 -0.94 0.00 0.00 39.48 37.00 3ihh n PHE 270 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3ihh n PRO 271 N -3.21 -1.90 -4.21 -1.08 -0.04 -1.24 -4.72 135.00 118.60 3ihh n PRO 271 Ca 0.13 -1.70 -0.29 0.00 -0.04 0.00 0.00 63.50 61.61 3ihh n PRO 271 Cb 0.51 -1.31 -0.09 0.00 -0.04 0.00 0.00 33.50 32.57 3ihh n PRO 271 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3ihh s LYS 272 N -5.40 2.22 -0.22 0.54 1.02 -0.72 -0.14 119.74 117.04 3ihh s LYS 272 Ca 0.65 -1.04 -0.06 0.00 0.02 0.00 0.00 55.97 55.53 3ihh s LYS 272 Cb -0.04 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 34.92 3ihh s LYS 272 CO 0.47 0.49 0.03 -1.17 -0.92 0.00 0.00 175.35 174.25 3ihh s LEU 273 N -2.44 3.34 -0.15 3.17 2.96 -1.26 -0.30 118.68 123.99 3ihh s LEU 273 Ca 0.24 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.89 3ihh s LEU 273 Cb -0.11 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3ihh s LEU 273 CO 0.15 0.03 0.04 -0.54 -1.32 0.00 0.00 176.35 174.71 3ihh s LYS 274 N 1.23 3.71 -0.25 1.98 -0.14 0.19 -5.00 119.74 121.47 3ihh s LYS 274 Ca 0.04 -0.37 -0.13 0.00 -1.36 0.00 0.00 55.97 54.15 3ihh s LYS 274 Cb -0.15 -3.09 -0.04 0.00 -1.68 0.00 0.00 37.83 32.88 3ihh s LYS 274 CO 0.02 0.39 0.28 0.42 -0.76 0.00 0.00 175.35 175.70 3ihh s ILE 275 N 0.02 5.26 -2.43 2.17 1.01 -1.26 -1.62 121.20 124.35 3ihh s ILE 275 Ca 0.05 0.40 0.27 0.00 0.00 0.00 0.00 60.65 61.36 3ihh s ILE 275 Cb -0.12 -3.61 0.39 0.00 0.01 0.00 0.00 42.46 39.13 3ihh s ILE 275 CO 0.01 0.25 1.58 0.18 0.00 0.00 0.00 174.94 176.95 3ihh n LEU 276 N 4.84 1.74 -3.90 2.97 4.77 1.00 -4.87 117.00 123.55 3ihh n LEU 276 Ca -0.11 -0.57 -0.09 0.00 -0.03 0.00 0.00 56.01 55.20 3ihh n LEU 276 Cb 0.51 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 3ihh n LEU 276 CO 0.36 0.30 0.39 0.00 -1.33 0.00 0.00 177.39 177.11 3ihh s ARG 277 N -2.12 1.93 -0.31 3.23 1.70 -1.26 -5.06 118.95 117.05 3ihh s ARG 277 Ca 0.32 -1.31 -0.26 0.00 -0.47 0.00 0.00 55.73 54.02 3ihh s ARG 277 Cb 0.20 0.57 0.01 0.00 -0.57 0.00 0.00 34.95 35.16 3ihh s ARG 277 CO 0.38 -0.87 0.91 0.21 -1.08 0.00 0.00 175.30 174.85 3ihh s LYS 278 N -3.23 4.00 -0.10 3.89 2.47 -1.26 -5.03 119.74 120.48 3ihh s LYS 278 Ca 0.17 0.79 -0.01 0.00 -1.56 0.00 0.00 55.97 55.36 3ihh s LYS 278 Cb -0.04 -3.73 -0.03 0.00 -1.46 0.00 0.00 37.83 32.57 3ihh s LYS 278 CO 0.11 -0.77 -0.05 0.08 0.16 0.00 0.00 175.35 174.87 3ihh s VAL 279 N 3.25 3.80 -0.08 4.02 1.01 -1.26 -5.04 120.40 126.10 3ihh s VAL 279 Ca 0.38 -0.42 0.16 0.00 0.00 0.00 0.00 61.98 62.10 3ihh s VAL 279 Cb -0.13 -2.60 -0.24 0.00 0.00 0.00 0.00 36.38 33.40 3ihh s VAL 279 CO 0.14 0.56 0.25 1.21 0.00 0.00 0.00 175.10 177.26 3ihh n GLU 280 N 2.75 0.86 -4.21 2.72 4.07 -1.26 -4.52 120.64 121.04 3ihh n GLU 280 Ca -0.18 -0.10 -0.14 0.00 -0.06 0.00 0.00 57.16 56.68 3ihh n GLU 280 Cb 0.53 -1.41 -0.10 0.00 -0.06 0.00 0.00 31.44 30.39 3ihh n GLU 280 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3ihh s THR 281 N -2.89 1.05 0.34 6.31 -4.23 -1.26 -4.93 115.64 110.04 3ihh s THR 281 Ca -0.07 -1.86 0.18 0.00 -1.18 0.00 0.00 61.69 58.76 3ihh s THR 281 Cb 0.09 -1.62 0.15 0.00 1.34 0.00 0.00 72.50 72.46 3ihh s THR 281 CO 0.70 -0.66 1.87 -0.29 -0.54 0.00 0.00 174.62 175.70 3ihh h ILE 282 N 3.16 1.00 -0.01 2.99 6.09 -1.95 -2.10 117.51 126.69 3ihh h ILE 282 Ca -0.37 -1.13 -0.07 0.00 -1.37 0.00 0.00 64.86 61.93 3ihh h ILE 282 Cb 1.19 1.65 -0.01 0.00 0.47 0.00 0.00 36.82 40.11 3ihh h ILE 282 CO 0.58 0.30 -0.32 0.44 -3.07 0.00 0.00 178.15 176.08 3ihh h ASP 283 N 0.00 0.02 1.10 2.19 5.19 -1.96 -3.24 116.42 119.72 3ihh h ASP 283 Ca -0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3ihh h ASP 283 Cb 0.62 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.13 3ihh h ASP 283 CO 0.04 0.34 0.00 -0.67 -3.12 0.00 0.00 179.24 175.83 3ihh n ASP 284 N -4.15 0.18 -4.77 6.45 2.03 -0.79 -4.83 116.55 110.67 3ihh n ASP 284 Ca -0.02 0.52 -0.40 0.00 0.52 0.00 0.00 54.79 55.41 3ihh n ASP 284 Cb 0.37 -0.56 -0.00 0.00 -0.72 0.00 0.00 41.12 40.20 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 -3.02 2.75 0.13 -0.67 0.08 -1.23 -5.02 117.98 110.99 3ihh s PHE 285 Ca 0.13 1.36 0.04 0.00 0.12 0.00 0.00 56.93 58.57 3ihh s PHE 285 Cb 0.17 -3.76 -0.04 0.00 -0.57 0.00 0.00 43.02 38.82 3ihh s PHE 285 CO 0.54 -2.33 -0.09 0.15 -0.10 0.00 0.00 175.22 173.39 3ihh s LYS 286 N -2.22 0.97 0.34 0.44 1.02 -1.26 -5.05 119.74 113.98 3ihh s LYS 286 Ca 0.56 -1.39 0.11 0.00 0.02 0.00 0.00 55.97 55.27 3ihh s LYS 286 Cb -0.40 -0.48 0.90 0.00 -0.52 0.00 0.00 37.83 37.33 3ihh s LYS 286 CO 0.52 0.04 1.76 0.28 -0.92 0.00 0.00 175.35 177.04 3ihh h VAL 287 N 2.90 0.60 0.00 3.17 2.07 -1.96 -0.94 116.25 122.10 3ihh h VAL 287 Ca -0.36 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3ihh h VAL 287 Cb 1.18 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3ihh h VAL 287 CO 0.63 0.11 0.00 -0.62 0.02 0.00 0.00 177.57 177.71 3ihh n GLU 288 N -4.76 0.98 0.00 1.57 4.71 -1.26 -2.77 120.64 119.10 3ihh n GLU 288 Ca 0.25 0.00 0.15 0.00 -0.01 0.00 0.00 57.16 57.54 3ihh n GLU 288 Cb 0.71 -1.49 0.70 0.00 -1.01 0.00 0.00 31.44 30.36 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 -0.99 0.12 -4.25 1.62 8.00 -0.36 -4.86 116.55 115.83 3ihh n ASP 289 Ca 0.23 -0.20 -0.28 0.00 0.71 0.00 0.00 54.79 55.25 3ihh n ASP 289 Cb 0.10 -0.24 -0.15 0.00 -0.02 0.00 0.00 41.12 40.81 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 -2.59 1.99 -0.06 1.24 0.08 -1.11 -0.00 117.98 117.53 3ihh s PHE 290 Ca 0.27 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.93 3ihh s PHE 290 Cb 0.20 -1.27 0.03 0.00 -0.57 0.00 0.00 43.02 41.41 3ihh s PHE 290 CO 0.48 -0.01 0.02 -1.14 -0.10 0.00 0.00 175.22 174.46 3ihh s GLN 291 N -0.65 0.40 -0.24 0.44 0.74 -0.64 -4.99 119.66 114.72 3ihh s GLN 291 Ca 0.09 0.17 -0.25 0.00 0.05 0.00 0.00 55.36 55.42 3ihh s GLN 291 Cb -0.09 -0.79 -0.00 0.00 1.10 0.00 0.00 33.01 33.23 3ihh s GLN 291 CO -0.00 -0.28 0.84 0.42 -0.55 0.00 0.00 175.29 175.72 3ihh s ILE 292 N 1.88 4.83 -0.18 -2.34 -1.09 -1.26 -0.63 121.20 122.40 3ihh s ILE 292 Ca 0.03 1.60 -0.06 0.00 -2.23 0.00 0.00 60.65 60.00 3ihh s ILE 292 Cb -0.12 -4.13 -0.03 0.00 -1.58 0.00 0.00 42.46 36.59 3ihh s ILE 292 CO -0.04 -0.07 0.02 -1.61 -1.23 0.00 0.00 174.94 172.00 3ihh s GLU 293 N 2.81 3.77 -0.54 2.79 2.02 0.59 -4.67 118.70 125.47 3ihh s GLU 293 Ca 0.36 -0.45 -0.03 0.00 0.02 0.00 0.00 54.97 54.86 3ihh s GLU 293 Cb -0.15 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 30.99 3ihh s GLU 293 CO 0.08 0.17 0.44 0.41 0.02 0.00 0.00 175.26 176.38 3ihh n GLY 294 N 3.80 0.35 3.60 -1.39 0.00 -1.26 -1.76 105.19 108.53 3ihh n GLY 294 Ca -0.17 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.09 3.21 -0.50 1.61 5.04 -1.26 -4.16 117.35 118.19 3ihh s TYR 295 Ca 0.22 0.63 0.08 0.00 -2.44 0.00 0.00 57.07 55.56 3ihh s TYR 295 Cb -0.10 -3.04 0.32 0.00 0.35 0.00 0.00 41.96 39.49 3ihh s TYR 295 CO 0.27 -0.50 0.82 0.09 -1.34 0.00 0.00 175.55 174.89 3ihh n ASN 296 N 5.96 2.84 -4.79 4.32 3.02 -1.26 -5.08 115.26 120.26 3ihh n ASN 296 Ca 0.00 -3.35 -0.34 0.00 -0.03 0.00 0.00 54.58 50.86 3ihh n ASN 296 Cb 0.49 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 3ihh n ASN 296 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ihh s PRO 297 N -2.82 3.69 0.37 3.52 0.04 -1.26 -4.78 135.00 133.75 3ihh s PRO 297 Ca 0.44 1.42 -0.27 0.00 0.04 0.00 0.00 61.00 62.63 3ihh s PRO 297 Cb 0.28 -2.07 -0.12 0.00 0.04 0.00 0.00 34.50 32.63 3ihh s PRO 297 CO -0.10 -0.54 1.20 0.72 0.04 0.00 0.00 177.00 178.32 3ihh n HIS 298 N -1.05 1.92 -1.96 0.56 8.25 0.58 -4.94 115.22 118.58 3ihh n HIS 298 Ca 0.10 0.56 -0.38 0.00 -0.26 0.00 0.00 57.72 57.74 3ihh n HIS 298 Cb 0.52 -2.35 0.02 0.00 1.12 0.00 0.00 29.99 29.30 3ihh n HIS 298 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3ihh s PRO 299 N -1.94 3.30 -0.28 -0.41 0.04 -1.26 -4.53 135.00 129.93 3ihh s PRO 299 Ca 0.58 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.55 3ihh s PRO 299 Cb -0.57 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.66 3ihh s PRO 299 CO 0.60 -1.00 0.21 0.99 0.04 0.00 0.00 177.00 177.84 3ihh s THR 300 N -1.41 5.29 -0.19 1.26 2.01 -1.26 -5.08 115.64 116.27 3ihh s THR 300 Ca 0.70 0.21 -0.24 0.00 0.31 0.00 0.00 61.69 62.66 3ihh s THR 300 Cb -0.36 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 3ihh s THR 300 CO 0.42 0.23 0.79 -0.51 -0.69 0.00 0.00 174.62 174.86 3ihh s ILE 301 N 1.80 4.90 -0.05 1.82 2.07 -1.26 -5.11 121.20 125.36 3ihh s ILE 301 Ca 0.08 1.53 -0.04 0.00 -1.41 0.00 0.00 60.65 60.81 3ihh s ILE 301 Cb -0.16 -4.09 -0.04 0.00 0.13 0.00 0.00 42.46 38.30 3ihh s ILE 301 CO 0.11 0.03 0.16 -0.75 -1.91 0.00 0.00 174.94 172.58 3ihh s LYS 302 N 2.22 3.42 -0.29 3.50 2.20 -1.26 -5.00 119.74 124.53 3ihh s LYS 302 Ca 0.36 -0.26 -0.04 0.00 -0.36 0.00 0.00 55.97 55.67 3ihh s LYS 302 Cb -0.16 -3.12 0.02 0.00 -1.51 0.00 0.00 37.83 33.06 3ihh s LYS 302 CO 0.11 0.71 0.03 -1.64 -0.36 0.00 0.00 175.35 174.20 3ihh s MET 303 N -1.58 2.84 0.17 4.03 -1.94 -1.26 -5.00 119.30 116.56 3ihh s MET 303 Ca 0.22 -1.00 -0.33 0.00 -1.71 0.00 0.00 55.69 52.87 3ihh s MET 303 Cb -0.12 -3.24 -0.15 0.00 2.01 0.00 0.00 34.83 33.33 3ihh s MET 303 CO 0.13 -0.49 1.33 -0.85 -0.01 0.00 0.00 175.02 175.12 3ihh n GLU 304 N 4.76 1.54 -1.17 2.03 0.28 -1.26 -4.98 120.64 121.84 3ihh n GLU 304 Ca -0.15 0.55 -0.34 0.00 -0.16 0.00 0.00 57.16 57.07 3ihh n GLU 304 Cb 0.46 -2.16 0.12 0.00 1.43 0.00 0.00 31.44 31.29 3ihh n GLU 304 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3ihh n MET 305 N 2.23 0.28 -0.16 3.44 2.81 -1.26 -4.90 117.12 119.55 3ihh n MET 305 Ca 0.15 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 3ihh n MET 305 Cb 0.26 -2.40 0.00 0.00 -0.71 0.00 0.00 33.22 30.37 3ihh n MET 305 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ihh n ALA 306 N -3.10 1.32 -0.02 3.04 0.00 -1.26 -5.12 120.51 115.37 3ihh n ALA 306 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3ihh n ALA 306 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3ihh n ALA 306 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05