#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 2.91 0.56 2.89 2.46 -1.26 -4.88 115.29 117.96 3ihh s HIS 22 Ca 0.00 0.47 0.34 0.00 0.47 0.00 0.00 55.06 56.34 3ihh s HIS 22 Cb 0.00 -4.01 1.92 0.00 -0.13 0.00 0.00 32.58 30.35 3ihh s HIS 22 CO 0.00 -3.83 2.24 0.78 -2.47 0.00 0.00 174.74 171.47 3ihh h GLY 23 N 7.05 0.00 2.00 1.59 0.00 -1.98 -2.18 103.07 109.55 3ihh h GLY 23 Ca -0.43 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3ihh h GLY 23 CO 0.93 0.00 -0.01 -2.09 0.00 0.00 0.00 176.54 175.38 3ihh h GLU 24 N 0.00 0.00 -0.39 4.80 4.81 -1.97 -2.51 114.58 119.31 3ihh h GLU 24 Ca -0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3ihh h GLU 24 Cb 0.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3ihh h GLU 24 CO 0.00 0.01 0.27 -0.07 -0.73 0.00 0.00 179.01 178.49 3ihh h LEU 25 N 0.00 0.28 -0.20 1.64 3.38 -1.77 -1.68 115.31 116.95 3ihh h LEU 25 Ca -0.00 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3ihh h LEU 25 Cb 0.31 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3ihh h LEU 25 CO 0.00 0.19 0.03 1.56 0.09 0.00 0.00 178.44 180.31 3ihh h GLN 26 N 0.32 0.10 -0.37 1.13 4.20 -1.65 -0.27 115.11 118.57 3ihh h GLN 26 Ca 0.17 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.92 3ihh h GLN 26 Cb 0.27 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 3ihh h GLN 26 CO -0.04 0.07 0.11 -0.92 -0.67 0.00 0.00 178.83 177.38 3ihh h TYR 27 N 0.11 0.20 -0.66 2.96 5.03 -1.53 -0.84 116.97 122.23 3ihh h TYR 27 Ca 0.09 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.38 3ihh h TYR 27 Cb 0.09 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.31 3ihh h TYR 27 CO -0.15 0.07 0.24 -0.07 -1.32 0.00 0.00 178.16 176.93 3ihh h LEU 28 N 0.26 0.91 -0.77 2.82 3.38 -0.95 -1.85 115.31 119.10 3ihh h LEU 28 Ca 0.17 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3ihh h LEU 28 Cb 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3ihh h LEU 28 CO -0.19 0.83 -0.23 0.03 0.09 0.00 0.00 178.44 178.97 3ihh h ARG 29 N 0.96 0.68 -0.07 1.13 3.08 -0.71 -0.01 114.38 119.45 3ihh h ARG 29 Ca 0.22 -0.27 0.02 0.00 0.07 0.00 0.00 59.98 60.02 3ihh h ARG 29 Cb 0.22 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3ihh h ARG 29 CO -0.02 0.85 -0.05 1.96 -1.07 0.00 0.00 179.97 181.64 3ihh h GLN 30 N 0.59 -0.06 -0.35 0.04 4.20 -0.67 -0.94 115.11 117.92 3ihh h GLN 30 Ca 0.08 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.86 3ihh h GLN 30 Cb 0.71 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.46 3ihh h GLN 30 CO 0.05 -0.04 0.04 0.28 -0.67 0.00 0.00 178.83 178.49 3ihh h VAL 31 N -0.07 0.78 -0.59 -0.54 2.07 -1.05 -2.23 116.25 114.62 3ihh h VAL 31 Ca 0.05 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3ihh h VAL 31 Cb 0.13 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 3ihh h VAL 31 CO -0.11 0.03 0.27 -0.08 0.02 0.00 0.00 177.57 177.70 3ihh h GLU 32 N 0.14 0.49 -0.78 1.57 4.81 -0.83 -0.90 114.58 119.08 3ihh h GLU 32 Ca 0.17 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3ihh h GLU 32 Cb 0.21 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3ihh h GLU 32 CO -0.25 0.32 0.38 1.25 -0.73 0.00 0.00 179.01 179.98 3ihh h HIS 33 N 0.51 1.11 -0.31 0.92 2.76 -0.81 -1.81 115.15 117.53 3ihh h HIS 33 Ca 0.28 -0.05 -0.09 0.00 -2.20 0.00 0.00 60.37 58.32 3ihh h HIS 33 Cb 0.26 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 3ihh h HIS 33 CO -0.12 0.81 -0.14 0.82 -1.30 0.00 0.00 177.93 177.99 3ihh h ILE 34 N 1.09 1.29 -0.81 6.26 2.04 -0.90 0.38 117.51 126.87 3ihh h ILE 34 Ca 0.27 -1.24 0.16 0.00 1.00 0.00 0.00 64.86 65.04 3ihh h ILE 34 Cb 0.11 1.44 -0.10 0.00 -0.74 0.00 0.00 36.82 37.53 3ihh h ILE 34 CO -0.04 0.40 0.36 -0.07 0.00 0.00 0.00 178.15 178.80 3ihh h LEU 35 N 0.40 0.37 0.09 1.44 3.38 -1.02 0.64 115.31 120.61 3ihh h LEU 35 Ca 0.07 0.11 -0.32 0.00 0.09 0.00 0.00 57.88 57.83 3ihh h LEU 35 Cb 0.66 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3ihh h LEU 35 CO 0.04 0.13 -1.74 -0.09 0.09 0.00 0.00 178.44 176.87 3ihh h ARG 36 N 0.50 0.19 -0.00 1.13 2.43 -1.07 -3.40 114.38 114.16 3ihh h ARG 36 Ca 0.45 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3ihh h ARG 36 Cb 0.70 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 3ihh h ARG 36 CO -0.41 1.15 -0.43 0.00 -1.51 0.00 0.00 179.97 178.78 3ihh s GLY 38 N -1.88 2.48 0.08 0.00 0.00 0.22 -4.97 107.32 103.25 3ihh s GLY 38 Ca 0.07 0.64 -0.06 0.00 0.00 0.00 0.00 44.72 45.37 3ihh s GLY 38 CO 0.41 0.97 0.33 -1.36 0.00 0.00 0.00 173.10 173.45 3ihh s PHE 39 N -1.99 3.53 0.27 1.90 0.40 -0.86 -4.67 117.98 116.57 3ihh s PHE 39 Ca 0.68 0.57 -0.30 0.00 -0.60 0.00 0.00 56.93 57.29 3ihh s PHE 39 Cb -0.19 -2.00 -0.11 0.00 0.51 0.00 0.00 43.02 41.23 3ihh s PHE 39 CO 0.25 0.52 1.54 0.21 0.70 0.00 0.00 175.22 178.44 3ihh s LYS 40 N -2.23 4.17 -0.06 0.44 2.36 -1.26 -1.66 119.74 121.50 3ihh s LYS 40 Ca 0.35 2.48 -0.02 0.00 -2.55 0.00 0.00 55.97 56.22 3ihh s LYS 40 Cb -0.13 -3.06 0.04 0.00 -1.05 0.00 0.00 37.83 33.63 3ihh s LYS 40 CO 0.21 -0.56 0.11 0.21 1.55 0.00 0.00 175.35 176.87 3ihh s LYS 41 N -0.38 0.01 0.88 4.03 2.20 -0.22 -4.94 119.74 121.33 3ihh s LYS 41 Ca 0.62 0.42 -0.10 0.00 -0.36 0.00 0.00 55.97 56.55 3ihh s LYS 41 Cb -0.46 -0.30 0.13 0.00 -1.51 0.00 0.00 37.83 35.69 3ihh s LYS 41 CO 0.46 -0.26 1.13 -1.21 -0.36 0.00 0.00 175.35 175.11 3ihh s GLU 42 N 1.82 1.28 0.22 4.03 0.41 -1.26 -1.62 118.70 123.57 3ihh s GLU 42 Ca -0.01 1.44 -0.07 0.00 -0.41 0.00 0.00 54.97 55.91 3ihh s GLU 42 Cb -0.12 -1.77 -0.02 0.00 -1.78 0.00 0.00 34.13 30.44 3ihh s GLU 42 CO -0.05 -2.42 0.31 0.16 -0.49 0.00 0.00 175.26 172.78 3ihh s ASP 43 N -2.85 0.02 0.22 -0.19 1.47 -1.26 -4.86 116.67 109.23 3ihh s ASP 43 Ca 0.65 -1.13 -0.09 0.00 1.18 0.00 0.00 52.55 53.17 3ihh s ASP 43 Cb -0.21 0.49 0.36 0.00 -0.34 0.00 0.00 42.92 43.21 3ihh s ASP 43 CO 0.58 -0.99 1.67 -0.09 0.68 0.00 0.00 175.17 177.01 3ihh h ARG 44 N 2.44 0.16 0.00 2.11 2.43 -1.99 -2.64 114.38 116.89 3ihh h ARG 44 Ca -0.31 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.83 3ihh h ARG 44 Cb 1.25 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3ihh h ARG 44 CO 0.44 0.10 -0.13 1.79 -1.51 0.00 0.00 179.97 180.66 3ihh h THR 45 N 0.16 0.56 0.00 0.20 1.35 -1.96 -3.46 112.91 109.76 3ihh h THR 45 Ca 0.36 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3ihh h THR 45 Cb 0.59 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 3ihh h THR 45 CO -0.53 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 175.48 3ihh n GLY 46 N -0.58 0.66 0.09 5.82 0.00 -1.00 -4.90 105.19 105.29 3ihh n GLY 46 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 1.12 0.00 2.61 2.02 -1.89 -3.49 112.91 113.27 3ihh h THR 47 Ca 0.00 -2.85 0.00 0.00 0.77 0.00 0.00 66.41 64.33 3ihh h THR 47 Cb 0.00 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 3ihh h THR 47 CO 0.00 0.74 0.00 0.61 0.37 0.00 0.00 175.52 177.24 3ihh n GLY 48 N 1.59 -2.69 3.20 2.16 0.00 -1.26 -4.50 105.19 103.70 3ihh n GLY 48 Ca -0.15 -1.30 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.72 0.09 -0.05 2.61 -4.23 -0.64 -1.69 115.64 108.00 3ihh s THR 49 Ca 0.00 -1.76 -0.03 0.00 -1.18 0.00 0.00 61.69 58.72 3ihh s THR 49 Cb 0.00 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 3ihh s THR 49 CO 0.00 -0.42 0.10 -0.76 -0.54 0.00 0.00 174.62 173.00 3ihh s LEU 50 N -3.02 4.05 -0.07 4.79 1.43 -0.07 -1.05 118.68 124.74 3ihh s LEU 50 Ca 0.22 0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 53.52 3ihh s LEU 50 Cb 0.06 -2.19 0.02 0.00 0.03 0.00 0.00 46.19 44.12 3ihh s LEU 50 CO 0.01 0.33 0.20 -0.55 0.23 0.00 0.00 176.35 176.57 3ihh s SER 51 N -1.41 -0.21 0.04 2.29 0.15 -0.67 -1.58 113.70 112.31 3ihh s SER 51 Ca 0.20 0.40 0.05 0.00 0.70 0.00 0.00 55.95 57.29 3ihh s SER 51 Cb -0.12 0.41 -0.02 0.00 -1.71 0.00 0.00 66.02 64.58 3ihh s SER 51 CO 0.10 -0.07 -0.14 -0.69 1.20 0.00 0.00 173.24 173.63 3ihh s VAL 52 N 0.09 1.14 -0.21 4.45 1.01 -0.46 -2.02 120.40 124.40 3ihh s VAL 52 Ca -0.00 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 3ihh s VAL 52 Cb -0.01 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3ihh s VAL 52 CO 0.00 0.04 0.06 0.12 0.00 0.00 0.00 175.10 175.32 3ihh s PHE 53 N -0.81 3.16 0.00 5.22 5.36 -1.26 -1.43 117.98 128.21 3ihh s PHE 53 Ca 0.02 -0.15 0.00 0.00 -0.96 0.00 0.00 56.93 55.84 3ihh s PHE 53 Cb -0.08 -2.15 0.00 0.00 -0.34 0.00 0.00 43.02 40.46 3ihh s PHE 53 CO 0.01 -0.08 0.00 0.41 -1.46 0.00 0.00 175.22 174.10 3ihh n GLY 54 N 4.16 -1.04 3.32 13.12 0.00 0.21 -5.00 105.19 119.97 3ihh n GLY 54 Ca -0.16 -0.72 -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 -0.92 1.12 -0.21 1.61 -1.94 -0.92 -4.98 119.30 113.06 3ihh s MET 55 Ca 0.00 -1.18 -0.19 0.00 -1.71 0.00 0.00 55.69 52.61 3ihh s MET 55 Cb 0.00 0.36 0.06 0.00 2.01 0.00 0.00 34.83 37.26 3ihh s MET 55 CO 0.00 -0.40 0.56 -1.14 -0.01 0.00 0.00 175.02 174.02 3ihh s GLN 56 N -3.97 0.64 0.08 2.03 0.74 -1.26 -1.60 119.66 116.32 3ihh s GLN 56 Ca 0.17 0.80 0.02 0.00 0.05 0.00 0.00 55.36 56.40 3ihh s GLN 56 Cb 0.04 0.29 -0.04 0.00 1.10 0.00 0.00 33.01 34.40 3ihh s GLN 56 CO -0.00 -0.09 -0.08 0.00 -0.55 0.00 0.00 175.29 174.57 3ihh s ALA 57 N 0.42 0.90 -0.12 1.58 0.00 -0.30 -5.00 121.76 119.25 3ihh s ALA 57 Ca -0.01 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.79 3ihh s ALA 57 Cb -0.04 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.20 3ihh s ALA 57 CO -0.01 -0.14 -0.12 0.50 0.00 0.00 0.00 175.76 175.99 3ihh s ARG 58 N -3.04 1.99 -0.26 0.00 3.52 -1.26 -0.34 118.95 119.56 3ihh s ARG 58 Ca 0.05 -0.46 -0.03 0.00 -0.13 0.00 0.00 55.73 55.17 3ihh s ARG 58 Cb -0.00 -1.83 0.02 0.00 -1.56 0.00 0.00 34.95 31.58 3ihh s ARG 58 CO -0.02 -0.18 -0.03 0.71 -0.81 0.00 0.00 175.30 174.97 3ihh s TYR 59 N 1.35 3.09 0.34 5.12 2.02 0.65 -4.96 117.35 124.95 3ihh s TYR 59 Ca 0.00 -1.47 -0.29 0.00 -0.37 0.00 0.00 57.07 54.94 3ihh s TYR 59 Cb -0.14 -2.09 -0.11 0.00 -0.40 0.00 0.00 41.96 39.22 3ihh s TYR 59 CO -0.06 -0.71 1.45 0.45 -1.57 0.00 0.00 175.55 175.11 3ihh s SER 60 N 1.35 6.51 -0.00 2.29 0.15 -1.26 -1.00 113.70 121.73 3ihh s SER 60 Ca 0.00 2.89 0.11 0.00 0.70 0.00 0.00 55.95 59.65 3ihh s SER 60 Cb -0.17 -2.65 0.32 0.00 -1.71 0.00 0.00 66.02 61.81 3ihh s SER 60 CO -0.03 -0.76 1.27 0.18 1.20 0.00 0.00 173.24 175.10 3ihh n LEU 61 N 1.02 2.98 -4.54 3.45 4.77 0.43 -4.60 117.00 120.52 3ihh n LEU 61 Ca 0.02 -2.01 -0.43 0.00 -0.03 0.00 0.00 56.01 53.56 3ihh n LEU 61 Cb 0.40 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3ihh n LEU 61 CO 0.62 0.74 0.51 -0.13 -1.33 0.00 0.00 177.39 177.80 3ihh s ARG 62 N -1.03 3.41 -0.51 3.23 0.52 -1.25 -3.92 118.95 119.40 3ihh s ARG 62 Ca 0.24 -0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 3ihh s ARG 62 Cb 0.13 -3.93 0.00 0.00 0.52 0.00 0.00 34.95 31.67 3ihh s ARG 62 CO 0.16 -1.06 0.00 -3.47 0.02 0.00 0.00 175.30 170.96 3ihh n ASP 63 N 6.56 -5.10 -3.60 0.23 4.64 -1.26 -4.95 116.55 113.07 3ihh n ASP 63 Ca 0.01 0.12 -0.10 0.00 -1.38 0.00 0.00 54.79 53.45 3ihh n ASP 63 Cb 0.48 -3.02 -0.03 0.00 -1.04 0.00 0.00 41.12 37.51 3ihh n ASP 63 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 3ihh s GLU 64 N -2.05 1.82 -0.06 -0.67 -1.05 -1.25 -4.83 118.70 110.61 3ihh s GLU 64 Ca 0.00 -1.33 0.01 0.00 -0.15 0.00 0.00 54.97 53.50 3ihh s GLU 64 Cb 0.00 0.53 0.02 0.00 -0.44 0.00 0.00 34.13 34.24 3ihh s GLU 64 CO 0.00 -0.80 -0.05 0.12 0.95 0.00 0.00 175.26 175.48 3ihh s PHE 65 N -3.45 0.88 -1.36 4.83 5.36 0.20 -4.50 117.98 119.94 3ihh s PHE 65 Ca 0.20 -0.28 -0.13 0.00 -0.96 0.00 0.00 56.93 55.76 3ihh s PHE 65 Cb -0.03 -0.78 0.10 0.00 -0.34 0.00 0.00 43.02 41.97 3ihh s PHE 65 CO 0.11 -0.24 1.99 -0.35 -1.46 0.00 0.00 175.22 175.26 3ihh n PRO 66 N 4.23 3.20 -3.45 10.12 -0.04 -1.26 -3.85 135.00 143.94 3ihh n PRO 66 Ca -0.21 -3.10 -0.41 0.00 -0.04 0.00 0.00 63.50 59.74 3ihh n PRO 66 Cb 0.51 -3.17 -0.10 0.00 -0.04 0.00 0.00 33.50 30.70 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 1.61 4.49 0.35 1.53 2.96 -1.26 -4.35 118.68 124.02 3ihh s LEU 67 Ca 0.45 -0.33 -0.28 0.00 -0.22 0.00 0.00 54.13 53.75 3ihh s LEU 67 Cb 0.10 -2.26 -0.10 0.00 0.50 0.00 0.00 46.19 44.43 3ihh s LEU 67 CO -0.03 -0.30 1.33 -0.76 -1.32 0.00 0.00 176.35 175.27 3ihh s LEU 68 N 1.90 4.36 -0.02 -0.68 1.43 -1.26 -4.67 118.68 119.74 3ihh s LEU 68 Ca 0.09 2.73 0.19 0.00 -1.03 0.00 0.00 54.13 56.11 3ihh s LEU 68 Cb -0.17 -3.71 -0.27 0.00 0.03 0.00 0.00 46.19 42.07 3ihh s LEU 68 CO 0.11 -0.65 0.51 0.35 0.23 0.00 0.00 176.35 176.90 3ihh n THR 69 N 0.60 0.00 0.97 5.49 -2.24 -1.26 -4.34 114.28 113.49 3ihh n THR 69 Ca 0.01 -0.34 0.13 0.00 -2.27 0.00 0.00 64.05 61.58 3ihh n THR 69 Cb 0.42 0.31 0.58 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.97 0.20 -3.67 4.28 -2.24 -1.26 0.40 114.28 110.03 3ihh n THR 70 Ca -0.02 0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 3ihh n THR 70 Cb 0.44 -0.61 -0.08 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.91 0.66 0.33 -0.78 2.20 -1.26 -4.62 119.74 113.35 3ihh s LYS 71 Ca 0.15 0.93 -0.29 0.00 -0.36 0.00 0.00 55.97 56.39 3ihh s LYS 71 Cb 0.17 0.24 -0.11 0.00 -1.51 0.00 0.00 37.83 36.61 3ihh s LYS 71 CO 0.46 -0.11 1.57 -2.13 -0.36 0.00 0.00 175.35 174.78 3ihh n ARG 72 N 3.37 2.74 -4.11 4.03 0.63 -1.26 -4.77 116.66 117.29 3ihh n ARG 72 Ca -0.17 0.97 -0.35 0.00 -0.92 0.00 0.00 57.85 57.38 3ihh n ARG 72 Cb 0.57 -2.74 -0.07 0.00 0.45 0.00 0.00 32.46 30.66 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 -0.42 4.90 -1.50 5.15 1.01 -1.26 -5.03 120.40 123.25 3ihh s VAL 73 Ca 0.60 -0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 3ihh s VAL 73 Cb -0.48 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 32.76 3ihh s VAL 73 CO 0.54 0.52 2.40 0.33 0.00 0.00 0.00 175.10 178.90 3ihh n PHE 74 N 1.75 3.27 -0.30 5.22 7.35 -1.26 -4.76 117.46 128.73 3ihh n PHE 74 Ca -0.17 -3.01 0.13 0.00 -0.76 0.00 0.00 57.45 53.64 3ihh n PHE 74 Cb 0.54 -2.54 0.30 0.00 0.35 0.00 0.00 39.48 38.12 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 5.77 0.50 -0.85 -5.13 2.91 -1.99 -0.62 115.95 116.55 3ihh h TRP 75 Ca 0.64 0.04 0.07 0.00 1.13 0.00 0.00 58.89 60.78 3ihh h TRP 75 Cb 0.56 -0.08 -0.06 0.00 -0.51 0.00 0.00 29.16 29.06 3ihh h TRP 75 CO 1.56 -0.13 0.52 -0.22 -1.03 0.00 0.00 178.44 179.14 3ihh h LYS 76 N 0.30 0.90 -0.14 2.65 3.64 -2.00 0.01 116.57 121.93 3ihh h LYS 76 Ca 0.55 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.87 3ihh h LYS 76 Cb 1.08 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 3ihh h LYS 76 CO -0.58 0.59 0.06 0.78 -2.27 0.00 0.00 179.45 178.03 3ihh h GLY 77 N 0.92 0.22 0.69 5.01 0.00 -1.53 -2.06 103.07 106.33 3ihh h GLY 77 Ca 0.38 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.62 3ihh h GLY 77 CO -0.19 0.11 -0.08 -2.08 0.00 0.00 0.00 176.54 174.30 3ihh h VAL 78 N 0.09 0.77 0.08 4.60 2.07 -0.63 -0.54 116.25 122.70 3ihh h VAL 78 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 3ihh h VAL 78 Cb 0.14 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3ihh h VAL 78 CO -0.01 0.00 -0.04 0.25 0.02 0.00 0.00 177.57 177.79 3ihh h LEU 79 N -0.10 -0.10 -0.63 2.57 5.85 -0.99 -2.07 115.31 119.84 3ihh h LEU 79 Ca 0.06 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.41 3ihh h LEU 79 Cb 0.18 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3ihh h LEU 79 CO -0.14 0.36 0.39 -0.33 -0.34 0.00 0.00 178.44 178.38 3ihh h GLU 80 N -0.58 0.76 -0.51 1.25 4.39 -1.42 -0.73 114.58 117.74 3ihh h GLU 80 Ca -0.01 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.69 3ihh h GLU 80 Cb 0.48 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 3ihh h GLU 80 CO 0.02 0.50 0.25 1.49 -1.16 0.00 0.00 179.01 180.11 3ihh h GLU 81 N 0.78 0.47 -0.70 2.33 4.81 -1.10 -0.51 114.58 120.67 3ihh h GLU 81 Ca 0.25 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.38 3ihh h GLU 81 Cb 0.00 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 3ihh h GLU 81 CO -0.10 0.31 0.14 1.25 -0.73 0.00 0.00 179.01 179.89 3ihh h LEU 82 N 0.49 1.08 -1.29 1.64 5.85 -1.01 -0.46 115.31 121.61 3ihh h LEU 82 Ca 0.23 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3ihh h LEU 82 Cb 0.16 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3ihh h LEU 82 CO -0.17 1.05 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.65 3ihh h LEU 83 N 1.07 0.15 0.09 2.25 3.38 -0.50 -1.37 115.31 120.37 3ihh h LEU 83 Ca 0.22 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3ihh h LEU 83 Cb 0.41 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ihh h LEU 83 CO 0.01 0.41 -0.04 -0.25 0.09 0.00 0.00 178.44 178.66 3ihh h TRP 84 N 0.14 -0.11 -0.65 1.13 7.01 -0.64 -2.49 115.95 120.34 3ihh h TRP 84 Ca 0.02 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.16 3ihh h TRP 84 Cb 0.53 0.04 -0.12 0.00 -2.10 0.00 0.00 29.16 27.51 3ihh h TRP 84 CO 0.01 0.28 -0.07 0.74 -2.79 0.00 0.00 178.44 176.60 3ihh h PHE 85 N -0.52 -0.18 -0.81 2.65 0.04 -0.97 -2.66 116.94 114.49 3ihh h PHE 85 Ca -0.01 0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 3ihh h PHE 85 Cb 0.44 0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.73 3ihh h PHE 85 CO 0.06 -0.23 0.39 0.82 -0.60 0.00 0.00 178.31 178.74 3ihh h ILE 86 N 0.06 1.25 -0.02 -0.55 2.04 -1.08 -0.51 117.51 118.69 3ihh h ILE 86 Ca 0.33 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3ihh h ILE 86 Cb 0.54 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3ihh h ILE 86 CO -0.61 0.30 0.00 2.29 0.00 0.00 0.00 178.15 180.12 3ihh n LYS 87 N -4.31 1.18 -1.01 2.37 2.85 -0.95 -4.89 118.16 113.40 3ihh n LYS 87 Ca 0.08 -0.27 -0.00 0.00 -1.05 0.00 0.00 58.31 57.07 3ihh n LYS 87 Cb 0.14 -1.41 -0.00 0.00 -0.65 0.00 0.00 35.03 33.11 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 0.96 0.44 3.77 2.58 0.00 -0.20 -5.01 105.19 107.74 3ihh n GLY 88 Ca 0.19 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.55 6.58 -0.11 1.61 0.15 -1.03 -4.03 113.70 114.33 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 -2.60 0.25 0.00 -1.71 0.00 0.00 66.02 61.96 3ihh s SER 89 CO 0.00 -0.63 1.13 0.35 1.20 0.00 0.00 173.24 175.29 3ihh n THR 90 N -0.04 1.49 -3.70 6.45 -2.24 -1.26 -4.32 114.28 110.65 3ihh n THR 90 Ca 0.05 -1.90 -0.38 0.00 -2.27 0.00 0.00 64.05 59.54 3ihh n THR 90 Cb 0.48 -0.05 -0.12 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.53 5.41 0.30 3.42 3.84 -1.26 -1.47 114.94 122.65 3ihh s ASN 91 Ca 0.27 -0.98 0.05 0.00 0.21 0.00 0.00 52.86 52.40 3ihh s ASN 91 Cb 0.24 -1.92 0.71 0.00 -0.55 0.00 0.00 41.25 39.73 3ihh s ASN 91 CO 0.00 -0.31 1.77 0.00 -2.79 0.00 0.00 177.10 175.77 3ihh h ALA 92 N 8.29 1.59 -0.25 1.71 0.00 -1.47 -0.86 119.26 128.28 3ihh h ALA 92 Ca -0.26 0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.81 3ihh h ALA 92 Cb 1.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3ihh h ALA 92 CO 0.62 -0.08 0.18 0.87 0.00 0.00 0.00 179.25 180.84 3ihh h LYS 93 N 0.71 0.00 0.00 0.00 1.57 -1.90 -0.11 116.57 116.84 3ihh h LYS 93 Ca 0.56 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.25 3ihh h LYS 93 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 3ihh h LYS 93 CO -0.39 0.00 -0.44 1.49 -0.57 0.00 0.00 179.45 179.54 3ihh h GLU 94 N 0.00 0.00 0.16 3.15 4.81 -1.54 -1.84 114.58 119.31 3ihh h GLU 94 Ca 0.12 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.00 3ihh h GLU 94 Cb 0.49 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 3ihh h GLU 94 CO -0.00 0.44 -1.79 1.25 -0.73 0.00 0.00 179.01 178.17 3ihh h LEU 95 N 0.00 0.53 -1.63 1.64 5.85 -1.37 -3.36 115.31 116.97 3ihh h LEU 95 Ca -0.00 -0.88 0.09 0.00 0.84 0.00 0.00 57.88 57.92 3ihh h LEU 95 Cb 0.97 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 3ihh h LEU 95 CO 0.06 1.75 0.39 -1.28 -0.34 0.00 0.00 178.44 179.02 3ihh h SER 96 N 0.09 0.38 0.61 1.25 0.87 -0.77 -1.21 113.55 114.78 3ihh h SER 96 Ca -0.35 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 3ihh h SER 96 Cb 2.08 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.96 3ihh h SER 96 CO 0.15 0.24 0.00 -1.54 -0.53 0.00 0.00 176.83 175.15 3ihh n SER 97 N -4.47 0.16 -0.33 6.23 3.41 -0.70 -1.01 113.62 116.90 3ihh n SER 97 Ca 0.09 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 3ihh n SER 97 Cb 0.33 -0.57 0.25 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.67 0.98 -0.80 4.33 4.76 -0.46 -4.95 118.16 120.35 3ihh n LYS 98 Ca 0.04 -0.67 0.00 0.00 -2.87 0.00 0.00 58.31 54.80 3ihh n LYS 98 Cb 0.20 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 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 1.36 0.88 2.94 0.72 0.00 -0.18 -5.05 105.19 105.87 3ihh n GLY 99 Ca 0.11 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 1.82 -1.70 1.61 1.01 -1.20 -5.00 120.40 114.95 3ihh s VAL 100 Ca 0.00 -1.95 0.18 0.00 0.00 0.00 0.00 61.98 60.21 3ihh s VAL 100 Cb 0.00 -2.31 0.59 0.00 0.00 0.00 0.00 36.38 34.66 3ihh s VAL 100 CO 0.00 -0.55 1.48 0.54 0.00 0.00 0.00 175.10 176.58 3ihh n ARG 101 N 4.46 2.81 0.26 2.72 1.74 -1.26 -2.56 116.66 124.83 3ihh n ARG 101 Ca 0.00 -2.36 0.14 0.00 -0.77 0.00 0.00 57.85 54.86 3ihh n ARG 101 Cb 0.42 -1.61 0.65 0.00 -1.02 0.00 0.00 32.46 30.89 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 3.65 0.35 -0.18 0.55 3.07 -1.95 -0.71 117.51 122.30 3ihh h ILE 102 Ca 0.00 -0.72 0.00 0.00 1.55 0.00 0.00 64.86 65.69 3ihh h ILE 102 Cb 1.02 1.53 0.00 0.00 -0.27 0.00 0.00 36.82 39.10 3ihh h ILE 102 CO 0.08 0.11 0.00 0.79 -1.05 0.00 0.00 178.15 178.08 3ihh n TRP 103 N -3.34 0.20 -0.08 0.16 7.02 -1.26 -4.70 117.44 115.45 3ihh n TRP 103 Ca -0.00 -0.10 -0.11 0.00 -1.02 0.00 0.00 57.50 56.26 3ihh n TRP 103 Cb 0.32 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.17 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 4.38 0.44 -0.70 -0.99 3.32 -1.46 -2.56 116.42 118.85 3ihh h ASP 104 Ca 0.00 -0.33 0.05 0.00 0.02 0.00 0.00 57.03 56.76 3ihh h ASP 104 Cb 0.95 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.34 3ihh h ASP 104 CO 0.00 0.67 0.46 0.00 -1.72 0.00 0.00 179.24 178.65 3ihh h ALA 105 N 0.79 1.65 0.00 3.45 0.00 -1.84 -1.56 119.26 121.75 3ihh h ALA 105 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ihh h ALA 105 Cb 0.46 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ihh h ALA 105 CO 0.02 0.27 0.00 0.09 0.00 0.00 0.00 179.25 179.62 3ihh n ASN 106 N -4.47 0.61 -0.86 0.00 4.13 -0.97 -2.94 115.26 110.77 3ihh n ASN 106 Ca 0.09 0.62 0.07 0.00 1.68 0.00 0.00 54.58 57.05 3ihh n ASN 106 Cb 0.17 -0.76 0.21 0.00 -1.54 0.00 0.00 39.78 37.85 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 0.36 2.98 3.81 7.41 0.00 -0.60 -4.63 105.19 114.53 3ihh n GLY 107 Ca 0.03 -0.59 -0.33 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 -1.17 6.11 0.19 1.61 1.04 -1.15 0.03 113.70 120.37 3ihh s SER 108 Ca 0.32 1.79 -0.13 0.00 0.48 0.00 0.00 55.95 58.41 3ihh s SER 108 Cb 0.20 -2.53 0.21 0.00 0.10 0.00 0.00 66.02 63.99 3ihh s SER 108 CO 0.17 -0.94 1.68 -0.09 0.98 0.00 0.00 173.24 175.04 3ihh h ARG 109 N 0.82 0.12 -0.22 4.02 9.65 -1.93 -1.69 114.38 125.14 3ihh h ARG 109 Ca -0.47 -0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 58.31 3ihh h ARG 109 Cb 1.21 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.76 3ihh h ARG 109 CO 0.59 0.08 -0.19 -0.44 2.80 0.00 0.00 179.97 182.81 3ihh h ASP 110 N 0.12 0.55 -0.03 -3.80 3.45 -1.94 -1.22 116.42 113.55 3ihh h ASP 110 Ca 0.27 -0.46 0.02 0.00 0.43 0.00 0.00 57.03 57.29 3ihh h ASP 110 Cb 0.40 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 39.00 3ihh h ASP 110 CO -0.43 0.90 -0.08 0.15 -1.57 0.00 0.00 179.24 178.20 3ihh h PHE 111 N 0.22 -0.20 -0.84 4.55 3.57 -1.79 -0.84 116.94 121.60 3ihh h PHE 111 Ca 0.04 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3ihh h PHE 111 Cb 0.73 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 3ihh h PHE 111 CO 0.07 -0.13 0.40 -0.07 -2.23 0.00 0.00 178.31 176.36 3ihh h LEU 112 N -0.13 1.09 -1.16 0.59 3.38 -1.25 -1.71 115.31 116.13 3ihh h LEU 112 Ca 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3ihh h LEU 112 Cb 0.19 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3ihh h LEU 112 CO -0.11 0.92 0.31 0.44 0.09 0.00 0.00 178.44 180.09 3ihh h ASP 113 N 1.19 0.81 0.40 -0.43 3.32 -0.88 0.16 116.42 120.98 3ihh h ASP 113 Ca 0.29 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 3ihh h ASP 113 Cb 0.12 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3ihh h ASP 113 CO -0.04 0.68 -0.07 0.77 -1.72 0.00 0.00 179.24 178.87 3ihh h SER 114 N 0.89 0.00 -0.08 6.45 4.64 -0.21 -2.20 113.55 123.03 3ihh h SER 114 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3ihh h SER 114 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3ihh h SER 114 CO -0.03 0.07 0.00 0.18 -0.87 0.00 0.00 176.83 176.18 3ihh n LEU 115 N -3.44 3.00 0.00 5.97 4.77 -0.86 -4.94 117.00 121.50 3ihh n LEU 115 Ca -0.02 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 3ihh n LEU 115 Cb 0.21 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3ihh n LEU 115 CO 0.28 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 3ihh n GLY 116 N 1.37 0.76 2.73 -0.72 0.00 -0.83 -5.00 105.19 103.50 3ihh n GLY 116 Ca 0.15 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.47 3.06 0.32 1.61 3.72 -0.01 -4.70 117.46 118.99 3ihh n PHE 117 Ca 0.00 -2.55 0.19 0.00 -0.05 0.00 0.00 57.45 55.05 3ihh n PHE 117 Cb 0.00 -1.25 1.08 0.00 -0.94 0.00 0.00 39.48 38.36 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 2.69 0.00 0.79 4.37 4.64 -1.84 -2.43 113.55 121.76 3ihh h SER 118 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 3ihh h SER 118 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3ihh h SER 118 CO 1.48 0.00 -0.45 0.00 -0.87 0.00 0.00 176.83 176.99 3ihh n ALA 119 N -2.17 3.03 -1.77 5.18 0.00 -1.26 -4.89 120.51 118.62 3ihh n ALA 119 Ca -0.03 -0.25 -0.38 0.00 0.00 0.00 0.00 53.44 52.78 3ihh n ALA 119 Cb 0.10 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 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 -3.08 4.53 0.45 0.00 0.52 -0.91 -5.04 118.95 115.42 3ihh s ARG 120 Ca 0.09 1.49 -0.24 0.00 -0.52 0.00 0.00 55.73 56.55 3ihh s ARG 120 Cb 0.16 -2.88 -0.07 0.00 0.52 0.00 0.00 34.95 32.67 3ihh s ARG 120 CO 0.68 0.20 1.23 -0.65 0.02 0.00 0.00 175.30 176.78 3ihh s GLN 121 N -1.92 3.75 0.13 3.54 -1.52 -1.26 -4.94 119.66 117.44 3ihh s GLN 121 Ca 0.50 1.96 -0.35 0.00 -1.95 0.00 0.00 55.36 55.52 3ihh s GLN 121 Cb -0.23 -2.52 -0.16 0.00 -0.22 0.00 0.00 33.01 29.88 3ihh s GLN 121 CO 0.29 -0.61 1.22 -1.91 -0.25 0.00 0.00 175.29 174.03 3ihh n GLU 122 N -0.33 1.09 0.00 2.91 2.13 -1.26 -1.52 120.64 123.66 3ihh n GLU 122 Ca 0.06 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.27 3ihh n GLU 122 Cb 0.46 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 30.23 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 2.19 3.07 3.54 8.31 0.00 0.10 -4.88 105.19 117.53 3ihh n GLY 123 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.29 6.17 0.00 1.61 -1.08 -0.58 -1.11 116.67 120.38 3ihh s ASP 124 Ca 0.00 -0.51 0.24 0.00 -0.52 0.00 0.00 52.55 51.76 3ihh s ASP 124 Cb 0.00 -2.55 1.04 0.00 -1.46 0.00 0.00 42.92 39.95 3ihh s ASP 124 CO 0.00 -1.80 1.78 0.18 0.52 0.00 0.00 175.17 175.85 3ihh n LEU 125 N 9.23 0.00 0.00 -1.34 4.77 -0.54 -4.89 117.00 124.23 3ihh n LEU 125 Ca 0.03 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 3ihh n LEU 125 Cb 0.49 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3ihh n LEU 125 CO 0.70 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3ihh n GLY 126 N 1.02 -2.08 2.47 -0.72 0.00 -1.26 -0.85 105.19 103.76 3ihh n GLY 126 Ca 0.06 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.02 3.24 -0.09 1.61 -0.04 -1.26 -4.83 135.00 133.60 3ihh n PRO 127 Ca 0.00 -2.17 0.00 0.00 -0.04 0.00 0.00 63.50 61.29 3ihh n PRO 127 Cb 0.00 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 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 4.06 0.00 -0.27 0.52 0.24 -1.26 -4.51 118.33 117.11 3ihh n VAL 128 Ca 0.68 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 63.00 3ihh n VAL 128 Cb 0.26 -1.86 0.09 0.00 -1.47 0.00 0.00 33.84 30.85 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 -0.54 -0.45 -0.98 6.34 -1.99 -1.92 -1.74 116.97 115.70 3ihh h TYR 129 Ca 0.00 0.07 0.03 0.00 2.00 0.00 0.00 58.73 60.83 3ihh h TYR 129 Cb 0.00 0.32 -0.06 0.00 2.00 0.00 0.00 36.73 38.99 3ihh h TYR 129 CO 0.00 -0.34 0.64 0.78 -0.00 0.00 0.00 178.16 179.24 3ihh h GLY 130 N -0.01 1.42 0.87 3.88 0.00 -1.76 0.17 103.07 107.65 3ihh h GLY 130 Ca 0.37 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 3ihh h GLY 130 CO -0.81 0.43 -0.09 -2.75 0.00 0.00 0.00 176.54 173.33 3ihh h PHE 131 N 1.25 0.60 -0.50 5.60 3.57 -1.47 -2.78 116.94 123.22 3ihh h PHE 131 Ca 0.39 -0.14 -0.10 0.00 3.53 0.00 0.00 57.97 61.65 3ihh h PHE 131 Cb -0.02 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 3ihh h PHE 131 CO -0.00 0.76 -0.08 1.96 -2.23 0.00 0.00 178.31 178.72 3ihh h GLN 132 N 0.27 0.91 -0.06 1.11 1.08 -0.96 0.49 115.11 117.95 3ihh h GLN 132 Ca 0.06 -0.30 -0.07 0.00 -1.45 0.00 0.00 58.65 56.89 3ihh h GLN 132 Cb 0.58 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 3ihh h GLN 132 CO 0.03 0.95 -0.30 -1.49 -0.95 0.00 0.00 178.83 177.07 3ihh h TRP 133 N 0.82 0.12 0.00 2.96 4.06 -0.69 -2.95 115.95 120.27 3ihh h TRP 133 Ca 0.14 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.07 3ihh h TRP 133 Cb 0.60 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.73 3ihh h TRP 133 CO 0.04 0.40 -1.06 0.54 -3.56 0.00 0.00 178.44 174.80 3ihh n ARG 134 N -4.15 1.66 -1.79 0.49 5.12 -1.05 -1.27 116.66 115.67 3ihh n ARG 134 Ca -0.02 -0.05 0.03 0.00 -1.93 0.00 0.00 57.85 55.88 3ihh n ARG 134 Cb 0.37 -1.11 0.03 0.00 -1.16 0.00 0.00 32.46 30.59 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 -1.60 0.27 -1.69 -1.55 8.25 0.17 -3.45 115.22 115.61 3ihh n HIS 135 Ca -0.00 -0.87 -0.57 0.00 -0.26 0.00 0.00 57.72 56.02 3ihh n HIS 135 Cb 0.20 -0.15 -0.07 0.00 1.12 0.00 0.00 29.99 31.09 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 0.24 1.94 0.00 4.41 -0.00 -0.65 -2.10 117.46 121.30 3ihh n PHE 136 Ca 0.06 0.60 0.00 0.00 -0.00 0.00 0.00 57.45 58.10 3ihh n PHE 136 Cb 1.06 -2.42 0.00 0.00 -0.00 0.00 0.00 39.48 38.12 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 3.90 2.91 3.77 7.13 0.00 -1.26 -0.66 105.19 120.97 3ihh n GLY 137 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.61 2.35 -0.37 4.61 0.00 -0.89 -4.90 121.76 119.95 3ihh s ALA 138 Ca 0.00 0.42 -0.28 0.00 0.00 0.00 0.00 51.96 52.10 3ihh s ALA 138 Cb 0.00 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.84 3ihh s ALA 138 CO 0.00 -1.54 1.02 -2.00 0.00 0.00 0.00 175.76 173.25 3ihh s GLU 139 N -4.49 3.91 0.18 0.00 2.12 -1.26 -5.02 118.70 114.15 3ihh s GLU 139 Ca 0.64 0.78 -0.30 0.00 0.36 0.00 0.00 54.97 56.45 3ihh s GLU 139 Cb -0.19 -3.79 -0.09 0.00 0.26 0.00 0.00 34.13 30.32 3ihh s GLU 139 CO 0.49 -1.00 1.36 -0.47 -0.54 0.00 0.00 175.26 175.09 3ihh s TYR 140 N 3.72 3.22 0.00 5.30 5.04 -1.26 -4.94 117.35 128.42 3ihh s TYR 140 Ca 0.43 1.10 0.00 0.00 -2.44 0.00 0.00 57.07 56.16 3ihh s TYR 140 Cb -0.11 -3.66 0.00 0.00 0.35 0.00 0.00 41.96 38.53 3ihh s TYR 140 CO 0.20 -2.18 0.00 1.63 -1.34 0.00 0.00 175.55 173.86 3ihh n LYS 141 N 3.02 0.00 -4.03 4.97 5.02 -1.26 -5.10 118.16 120.77 3ihh n LYS 141 Ca 0.08 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.20 3ihh n LYS 141 Cb 0.42 -0.04 -0.06 0.00 -0.02 0.00 0.00 35.03 35.33 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 -1.45 -0.88 0.25 4.39 5.68 -1.26 -5.04 116.55 118.24 3ihh n ASP 142 Ca 0.00 -2.99 0.11 0.00 -0.50 0.00 0.00 54.79 51.41 3ihh n ASP 142 Cb 0.00 1.86 0.64 0.00 -1.14 0.00 0.00 41.12 42.48 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 -0.01 0.11 -0.00 -1.95 -2.98 114.93 110.10 3ihh h MET 143 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.47 3ihh h MET 143 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.73 3ihh h MET 143 CO 0.33 0.16 -0.20 -0.25 -0.00 0.00 0.00 176.91 176.96 3ihh n ASP 144 N -3.62 1.62 -4.78 -0.10 8.00 -1.26 -4.73 116.55 111.67 3ihh n ASP 144 Ca -0.01 -1.33 -0.31 0.00 0.71 0.00 0.00 54.79 53.85 3ihh n ASP 144 Cb 0.29 0.15 0.09 0.00 -0.02 0.00 0.00 41.12 41.63 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 -2.30 4.61 -0.37 -2.24 0.01 -1.13 -5.00 113.70 107.29 3ihh s SER 145 Ca 0.27 1.74 -0.16 0.00 1.31 0.00 0.00 55.95 59.11 3ihh s SER 145 Cb 0.20 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.95 3ihh s SER 145 CO 0.45 -1.95 0.40 -0.62 0.41 0.00 0.00 173.24 171.93 3ihh s ASP 146 N -3.50 6.19 -0.05 2.44 -1.08 -1.26 -4.91 116.67 114.50 3ihh s ASP 146 Ca 0.61 -0.40 0.15 0.00 -0.52 0.00 0.00 52.55 52.39 3ihh s ASP 146 Cb -0.16 -2.21 0.49 0.00 -1.46 0.00 0.00 42.92 39.58 3ihh s ASP 146 CO 0.56 -0.45 1.41 -1.22 0.52 0.00 0.00 175.17 176.00 3ihh n TYR 147 N 5.49 0.85 -1.68 -5.34 4.01 -1.26 -5.00 117.16 114.23 3ihh n TYR 147 Ca -0.08 -0.58 -0.45 0.00 -0.16 0.00 0.00 57.90 56.63 3ihh n TYR 147 Cb 0.48 -0.11 -0.03 0.00 -0.31 0.00 0.00 39.34 39.37 3ihh n TYR 147 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3ihh n SER 148 N 0.69 3.04 0.00 7.72 3.41 -1.26 -0.41 113.62 126.81 3ihh n SER 148 Ca 0.18 1.11 0.00 0.00 -0.26 0.00 0.00 58.87 59.91 3ihh n SER 148 Cb 0.63 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 3ihh n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ihh n GLY 149 N 2.78 0.57 3.79 5.00 0.00 -1.26 -4.99 105.19 111.08 3ihh n GLY 149 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.48 4.33 0.65 1.61 -0.21 0.45 -4.97 119.66 121.04 3ihh s GLN 150 Ca 0.00 0.87 0.00 0.00 0.02 0.00 0.00 55.36 56.25 3ihh s GLN 150 Cb 0.00 -3.27 0.00 0.00 1.00 0.00 0.00 33.01 30.74 3ihh s GLN 150 CO 0.00 0.55 0.00 0.41 -2.12 0.00 0.00 175.29 174.13 3ihh n GLY 151 N 1.85 -1.96 3.65 3.09 0.00 -1.26 -4.46 105.19 106.10 3ihh n GLY 151 Ca -0.08 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.78 5.10 -1.05 1.61 1.01 0.16 -4.75 120.40 121.70 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 -3.82 0.09 0.00 0.00 0.00 0.00 36.38 32.64 3ihh s VAL 152 CO 0.00 0.16 1.40 -0.62 0.00 0.00 0.00 175.10 176.03 3ihh s ASP 153 N 1.27 6.64 0.29 3.32 -1.08 -1.22 -1.63 116.67 124.25 3ihh s ASP 153 Ca 0.22 -1.92 0.06 0.00 -0.52 0.00 0.00 52.55 50.40 3ihh s ASP 153 Cb -0.15 -2.51 0.44 0.00 -1.46 0.00 0.00 42.92 39.24 3ihh s ASP 153 CO 0.09 -1.26 1.69 1.56 0.52 0.00 0.00 175.17 177.78 3ihh h GLN 154 N 8.94 0.25 -0.32 4.34 4.20 -1.45 -1.47 115.11 129.60 3ihh h GLN 154 Ca 0.24 -0.12 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 3ihh h GLN 154 Cb 0.98 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 3ihh h GLN 154 CO 1.32 0.63 -0.20 1.25 -0.67 0.00 0.00 178.83 181.17 3ihh h LEU 155 N 0.21 0.73 -0.24 1.46 5.85 -1.79 0.14 115.31 121.68 3ihh h LEU 155 Ca 0.02 -0.43 -0.20 0.00 0.84 0.00 0.00 57.88 58.12 3ihh h LEU 155 Cb 0.83 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3ihh h LEU 155 CO 0.07 1.00 -0.90 -0.61 -0.34 0.00 0.00 178.44 177.65 3ihh h GLN 156 N 0.47 0.09 -0.52 1.25 5.75 -1.83 -2.78 115.11 117.54 3ihh h GLN 156 Ca 0.07 -0.12 0.04 0.00 -0.15 0.00 0.00 58.65 58.49 3ihh h GLN 156 Cb 0.74 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.29 3ihh h GLN 156 CO 0.06 0.93 0.28 -0.22 -2.65 0.00 0.00 178.83 177.22 3ihh h LYS 157 N 0.05 0.53 -0.44 1.69 1.63 -0.91 -1.00 116.57 118.11 3ihh h LYS 157 Ca -0.03 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3ihh h LYS 157 Cb 1.56 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 33.05 3ihh h LYS 157 CO 0.13 0.35 0.28 -0.39 -3.45 0.00 0.00 179.45 176.37 3ihh h VAL 158 N 0.55 1.12 -0.67 2.00 -1.51 -0.64 -1.12 116.25 115.98 3ihh h VAL 158 Ca 0.22 -0.24 0.04 0.00 -1.23 0.00 0.00 66.70 65.49 3ihh h VAL 158 Cb 0.09 0.50 -0.05 0.00 -2.13 0.00 0.00 31.29 29.70 3ihh h VAL 158 CO -0.13 0.12 0.41 0.40 -1.23 0.00 0.00 177.57 177.13 3ihh h ILE 159 N 0.59 1.06 0.24 7.19 2.04 -1.22 -1.01 117.51 126.40 3ihh h ILE 159 Ca 0.16 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3ihh h ILE 159 Cb -0.05 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 3ihh h ILE 159 CO -0.03 0.14 -0.12 0.44 0.00 0.00 0.00 178.15 178.59 3ihh h ASP 160 N 0.79 -0.27 -0.28 1.72 3.32 -0.81 -2.20 116.42 118.68 3ihh h ASP 160 Ca 0.28 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.32 3ihh h ASP 160 Cb 0.06 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3ihh h ASP 160 CO -0.12 -0.16 0.14 0.74 -1.72 0.00 0.00 179.24 178.11 3ihh h THR 161 N -0.36 0.99 -0.94 0.35 2.02 -0.92 -1.25 112.91 112.80 3ihh h THR 161 Ca -0.03 -0.10 0.15 0.00 0.77 0.00 0.00 66.41 67.20 3ihh h THR 161 Cb 0.28 0.67 -0.08 0.00 -1.74 0.00 0.00 68.15 67.28 3ihh h THR 161 CO 0.05 0.05 0.60 0.40 0.37 0.00 0.00 175.52 176.99 3ihh h ILE 162 N 0.29 0.82 0.00 3.11 2.04 -1.08 0.21 117.51 122.90 3ihh h ILE 162 Ca 0.12 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 3ihh h ILE 162 Cb 0.04 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 3ihh h ILE 162 CO -0.08 0.14 -0.26 0.11 0.00 0.00 0.00 178.15 178.05 3ihh h LYS 163 N 0.74 0.00 0.00 2.37 1.57 -0.71 -3.29 116.57 117.25 3ihh h LYS 163 Ca 0.48 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.19 3ihh h LYS 163 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 3ihh h LYS 163 CO -0.24 0.26 -1.39 0.25 -0.57 0.00 0.00 179.45 177.76 3ihh n THR 164 N -3.21 0.29 -2.89 -0.16 -2.24 -0.55 -4.86 114.28 100.65 3ihh n THR 164 Ca 0.02 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 3ihh n THR 164 Cb 0.59 -0.44 0.03 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.07 -1.49 0.29 3.42 5.15 0.69 -5.01 115.26 116.25 3ihh n ASN 165 Ca -0.07 -3.33 0.17 0.00 -0.60 0.00 0.00 54.58 50.74 3ihh n ASN 165 Cb 0.53 1.05 0.96 0.00 -0.53 0.00 0.00 39.78 41.78 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 3.37 0.00 0.00 1.20 0.13 -1.63 -1.54 132.00 133.53 3ihh h PRO 166 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3ihh h PRO 166 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3ihh h PRO 166 CO 0.30 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.82 3ihh n ASP 167 N -3.68 0.00 -4.74 1.44 8.00 -1.26 -3.89 116.55 112.42 3ihh n ASP 167 Ca -0.02 0.40 -0.42 0.00 0.71 0.00 0.00 54.79 55.46 3ihh n ASP 167 Cb 0.12 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 40.75 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 -1.45 3.71 -1.32 -2.24 2.03 -0.58 -4.90 116.55 111.80 3ihh n ASP 168 Ca 0.05 1.15 0.09 0.00 0.52 0.00 0.00 54.79 56.60 3ihh n ASP 168 Cb 0.18 -1.57 0.31 0.00 -0.72 0.00 0.00 41.12 39.32 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 2.03 3.41 -1.49 -0.67 1.74 -1.26 -4.32 116.66 116.11 3ihh n ARG 169 Ca 0.08 -2.73 -0.07 0.00 -0.77 0.00 0.00 57.85 54.37 3ihh n ARG 169 Cb 0.36 -1.75 0.10 0.00 -1.02 0.00 0.00 32.46 30.15 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 0.85 2.23 -2.88 5.56 3.00 -1.26 -4.97 116.66 119.19 3ihh n ARG 170 Ca 0.23 -3.53 -0.44 0.00 -0.01 0.00 0.00 57.85 54.10 3ihh n ARG 170 Cb 0.79 -1.70 -0.01 0.00 0.00 0.00 0.00 32.46 31.53 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 -3.49 4.74 0.02 0.55 1.01 -1.26 -4.96 121.20 117.81 3ihh s ILE 171 Ca 0.42 -1.97 0.06 0.00 0.00 0.00 0.00 60.65 59.16 3ihh s ILE 171 Cb 0.38 -4.89 -0.02 0.00 0.01 0.00 0.00 42.46 37.94 3ihh s ILE 171 CO -0.03 -1.63 -0.19 -0.63 0.00 0.00 0.00 174.94 172.46 3ihh s ILE 172 N 2.55 1.50 -0.14 2.92 1.01 -1.26 -0.42 121.20 127.36 3ihh s ILE 172 Ca 0.40 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 60.04 3ihh s ILE 172 Cb -0.03 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 41.17 3ihh s ILE 172 CO -0.04 0.25 -0.16 -0.32 0.00 0.00 0.00 174.94 174.67 3ihh s MET 173 N -0.89 2.43 -0.17 2.79 -2.45 0.14 -4.90 119.30 116.25 3ihh s MET 173 Ca 0.06 -0.62 -0.00 0.00 -1.25 0.00 0.00 55.69 53.88 3ihh s MET 173 Cb -0.08 -2.12 0.00 0.00 1.25 0.00 0.00 34.83 33.88 3ihh s MET 173 CO 0.01 -0.15 -0.15 0.00 1.05 0.00 0.00 175.02 175.78 3ihh n ALA 175 N 4.30 3.79 -2.54 0.00 0.00 0.15 -4.71 120.51 121.50 3ihh n ALA 175 Ca -0.19 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.28 3ihh n ALA 175 Cb 0.51 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 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 -3.23 2.65 -0.42 0.00 -0.11 -0.85 -4.84 118.94 112.14 3ihh s TRP 176 Ca 0.01 0.60 0.03 0.00 1.22 0.00 0.00 56.10 57.96 3ihh s TRP 176 Cb 0.15 -4.45 0.12 0.00 -1.50 0.00 0.00 33.47 27.79 3ihh s TRP 176 CO 0.87 -1.52 0.16 1.21 -4.62 0.00 0.00 176.95 173.05 3ihh s ASN 177 N 2.97 4.31 0.53 5.86 3.84 -1.26 -4.99 114.94 126.21 3ihh s ASN 177 Ca 0.49 -2.47 0.29 0.00 0.21 0.00 0.00 52.86 51.38 3ihh s ASN 177 Cb -0.08 -1.42 1.45 0.00 -0.55 0.00 0.00 41.25 40.64 3ihh s ASN 177 CO 0.30 -0.31 1.93 -0.65 -2.79 0.00 0.00 177.10 175.57 3ihh h PRO 178 N 7.13 0.01 -0.34 0.43 0.11 -2.01 -0.25 132.00 137.08 3ihh h PRO 178 Ca -0.06 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 3ihh h PRO 178 Cb 0.96 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3ihh h PRO 178 CO 0.57 0.00 -0.12 -0.22 -0.21 0.00 0.00 178.00 178.02 3ihh h LYS 179 N 0.01 0.68 0.00 1.05 3.64 -2.01 -3.18 116.57 116.74 3ihh h LYS 179 Ca 0.36 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3ihh h LYS 179 Cb 1.46 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3ihh h LYS 179 CO -0.01 0.86 -0.58 -0.44 -2.27 0.00 0.00 179.45 177.02 3ihh h ASP 180 N 0.45 0.00 -0.84 4.20 3.32 -1.51 -3.39 116.42 118.64 3ihh h ASP 180 Ca 0.08 -0.05 0.15 0.00 0.02 0.00 0.00 57.03 57.22 3ihh h ASP 180 Cb 0.64 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.04 3ihh h ASP 180 CO 0.04 0.03 -0.28 0.18 -1.72 0.00 0.00 179.24 177.48 3ihh n LEU 181 N -2.62 -0.45 0.24 1.55 4.32 -0.38 -0.91 117.00 118.75 3ihh n LEU 181 Ca 0.02 1.46 0.16 0.00 -0.02 0.00 0.00 56.01 57.64 3ihh n LEU 181 Cb 0.51 -0.38 0.80 0.00 -1.62 0.00 0.00 43.42 42.73 3ihh n LEU 181 CO 0.37 -1.35 0.98 -0.65 -1.22 0.00 0.00 177.39 175.52 3ihh h PRO 182 N 0.00 0.00 0.00 3.23 0.11 -1.81 -1.58 132.00 131.95 3ihh h PRO 182 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3ihh h PRO 182 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3ihh h PRO 182 CO -0.85 0.00 -0.54 -0.07 -0.21 0.00 0.00 178.00 176.33 3ihh h LEU 183 N 0.00 0.00 -9.86 2.35 3.38 -1.34 -3.48 115.31 106.37 3ihh h LEU 183 Ca 0.00 -0.08 -0.50 0.00 0.09 0.00 0.00 57.88 57.39 3ihh h LEU 183 Cb 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3ihh h LEU 183 CO 0.00 0.04 0.20 -0.04 0.09 0.00 0.00 178.44 178.73 3ihh s MET 184 N -3.23 4.40 0.44 1.13 -1.94 -0.60 -4.31 119.30 115.20 3ihh s MET 184 Ca 0.05 1.06 0.15 0.00 -1.71 0.00 0.00 55.69 55.24 3ihh s MET 184 Cb 0.10 -2.88 1.07 0.00 2.01 0.00 0.00 34.83 35.14 3ihh s MET 184 CO 0.72 0.36 1.98 0.00 -0.01 0.00 0.00 175.02 178.07 3ihh h ALA 185 N 3.39 2.07 -2.35 3.03 0.00 -1.31 -3.43 119.26 120.66 3ihh h ALA 185 Ca -0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 3ihh h ALA 185 Cb 1.19 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.75 3ihh h ALA 185 CO 0.65 -0.21 0.12 -0.48 0.00 0.00 0.00 179.25 179.33 3ihh s LEU 186 N -9.28 -0.38 0.45 0.00 0.05 -1.26 -5.07 118.68 103.19 3ihh s LEU 186 Ca -0.07 0.39 -0.21 0.00 0.05 0.00 0.00 54.13 54.29 3ihh s LEU 186 Cb 0.20 2.36 -0.09 0.00 -2.05 0.00 0.00 46.19 46.60 3ihh s LEU 186 CO 0.75 -0.70 1.03 -2.16 -0.55 0.00 0.00 176.35 174.72 3ihh s PRO 187 N -2.03 3.97 0.31 1.48 0.04 -1.26 -4.98 135.00 132.54 3ihh s PRO 187 Ca -0.07 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.03 3ihh s PRO 187 Cb -0.01 -2.23 -0.12 0.00 0.04 0.00 0.00 34.50 32.19 3ihh s PRO 187 CO 0.02 -0.29 1.53 -2.30 0.04 0.00 0.00 177.00 176.00 3ihh n PRO 188 N -0.67 2.59 0.06 0.56 -0.01 -1.26 -4.91 135.00 131.36 3ihh n PRO 188 Ca 0.08 0.92 -0.04 0.00 -0.01 0.00 0.00 63.50 64.45 3ihh n PRO 188 Cb 0.52 -2.66 -0.08 0.00 -0.01 0.00 0.00 33.50 31.27 3ihh n PRO 188 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3ihh s HIS 190 N -2.79 3.86 0.12 0.00 3.76 -1.26 -0.50 115.29 118.48 3ihh s HIS 190 Ca 0.00 -2.14 -0.13 0.00 -0.15 0.00 0.00 55.06 52.64 3ihh s HIS 190 Cb 0.09 -3.85 -0.05 0.00 1.11 0.00 0.00 32.58 29.87 3ihh s HIS 190 CO 0.80 -1.01 1.47 0.00 -0.85 0.00 0.00 174.74 175.15 3ihh h ALA 191 N 7.54 0.52 -2.99 -1.40 0.00 -1.56 -3.40 119.26 117.97 3ihh h ALA 191 Ca 0.13 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3ihh h ALA 191 Cb 1.00 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.56 3ihh h ALA 191 CO 0.84 0.53 0.20 -0.48 0.00 0.00 0.00 179.25 180.33 3ihh s LEU 192 N -9.01 -0.49 0.06 0.00 0.05 -1.23 -0.67 118.68 107.38 3ihh s LEU 192 Ca -0.12 -0.07 0.01 0.00 0.05 0.00 0.00 54.13 54.00 3ihh s LEU 192 Cb 0.10 2.57 -0.03 0.00 -2.05 0.00 0.00 46.19 46.78 3ihh s LEU 192 CO 0.85 -1.00 -0.05 0.00 -0.55 0.00 0.00 176.35 175.60 3ihh s GLN 194 N -2.87 0.74 0.33 0.00 0.74 -0.10 -0.68 119.66 117.82 3ihh s GLN 194 Ca 0.00 -0.29 0.08 0.00 0.05 0.00 0.00 55.36 55.20 3ihh s GLN 194 Cb -0.01 -0.71 -0.04 0.00 1.10 0.00 0.00 33.01 33.36 3ihh s GLN 194 CO -0.04 0.16 0.20 -0.06 -0.55 0.00 0.00 175.29 174.99 3ihh s PHE 195 N -0.07 2.82 -0.24 1.67 0.08 0.44 -0.43 117.98 122.25 3ihh s PHE 195 Ca 0.01 -0.31 -0.22 0.00 0.12 0.00 0.00 56.93 56.53 3ihh s PHE 195 Cb -0.05 -1.65 0.06 0.00 -0.57 0.00 0.00 43.02 40.81 3ihh s PHE 195 CO -0.00 0.31 0.64 -0.47 -0.10 0.00 0.00 175.22 175.59 3ihh s TYR 196 N -2.34 -0.71 -0.06 0.36 6.14 -0.77 -4.47 117.35 115.50 3ihh s TYR 196 Ca 0.38 1.71 0.03 0.00 0.64 0.00 0.00 57.07 59.83 3ihh s TYR 196 Cb -0.05 0.25 0.01 0.00 0.42 0.00 0.00 41.96 42.59 3ihh s TYR 196 CO 0.24 -0.34 -0.14 0.08 0.64 0.00 0.00 175.55 176.04 3ihh s VAL 197 N 0.39 1.20 -0.14 3.14 1.01 -1.25 -0.50 120.40 124.26 3ihh s VAL 197 Ca -0.00 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 3ihh s VAL 197 Cb -0.04 -1.08 0.04 0.00 0.00 0.00 0.00 36.38 35.30 3ihh s VAL 197 CO 0.00 0.37 0.44 0.54 0.00 0.00 0.00 175.10 176.45 3ihh s VAL 198 N 0.45 0.01 -1.54 2.92 0.11 -0.91 -4.69 120.40 116.75 3ihh s VAL 198 Ca -0.11 -0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 58.75 3ihh s VAL 198 Cb -0.14 -0.65 0.09 0.00 -1.53 0.00 0.00 36.38 34.15 3ihh s VAL 198 CO 0.03 -0.04 0.84 0.59 -3.33 0.00 0.00 175.10 173.19 3ihh n ASN 199 N 2.52 -3.49 -0.02 3.54 3.02 -1.26 -1.49 115.26 118.09 3ihh n ASN 199 Ca -0.15 -0.87 -0.00 0.00 -0.03 0.00 0.00 54.58 53.53 3ihh n ASN 199 Cb 0.57 -3.49 -0.00 0.00 -0.61 0.00 0.00 39.78 36.24 3ihh n ASN 199 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ihh n GLY 200 N -1.63 0.43 3.23 7.41 0.00 -1.26 -5.00 105.19 108.36 3ihh n GLY 200 Ca -0.03 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.48 2.87 -0.17 1.61 2.02 -0.55 -1.17 118.70 122.83 3ihh s GLU 201 Ca 0.00 -0.87 -0.16 0.00 0.02 0.00 0.00 54.97 53.96 3ihh s GLU 201 Cb 0.00 -2.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 3ihh s GLU 201 CO 0.00 0.23 0.39 -1.17 0.02 0.00 0.00 175.26 174.72 3ihh s LEU 202 N 0.22 4.21 0.31 1.80 2.96 0.03 -2.15 118.68 126.06 3ihh s LEU 202 Ca -0.15 0.59 0.10 0.00 -0.22 0.00 0.00 54.13 54.46 3ihh s LEU 202 Cb -0.17 -2.52 -0.06 0.00 0.50 0.00 0.00 46.19 43.95 3ihh s LEU 202 CO 0.07 -0.00 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.55 3ihh s SER 203 N 0.75 3.80 -0.03 3.68 0.01 0.35 0.43 113.70 122.69 3ihh s SER 203 Ca 0.20 -1.06 -0.02 0.00 1.31 0.00 0.00 55.95 56.38 3ihh s SER 203 Cb -0.14 -0.39 0.01 0.00 0.21 0.00 0.00 66.02 65.71 3ihh s SER 203 CO 0.07 -0.10 0.07 0.00 0.41 0.00 0.00 173.24 173.69 3ihh s GLN 205 N 0.35 2.59 -0.13 0.00 0.74 0.43 -0.36 119.66 123.28 3ihh s GLN 205 Ca -0.03 -0.78 0.00 0.00 0.05 0.00 0.00 55.36 54.61 3ihh s GLN 205 Cb -0.04 -2.32 -0.01 0.00 1.10 0.00 0.00 33.01 31.74 3ihh s GLN 205 CO -0.01 0.49 -0.14 -1.17 -0.55 0.00 0.00 175.29 173.91 3ihh s LEU 206 N -0.41 2.61 -0.44 3.68 2.96 -0.16 -0.92 118.68 125.99 3ihh s LEU 206 Ca 0.04 -0.38 -0.18 0.00 -0.22 0.00 0.00 54.13 53.39 3ihh s LEU 206 Cb -0.12 -1.58 0.03 0.00 0.50 0.00 0.00 46.19 45.02 3ihh s LEU 206 CO 0.02 0.14 0.49 -0.47 -1.32 0.00 0.00 176.35 175.21 3ihh s TYR 207 N 0.48 3.14 -0.30 5.38 5.04 0.46 -1.35 117.35 130.20 3ihh s TYR 207 Ca -0.10 -0.40 -0.05 0.00 -2.44 0.00 0.00 57.07 54.08 3ihh s TYR 207 Cb -0.16 -3.09 0.02 0.00 0.35 0.00 0.00 41.96 39.09 3ihh s TYR 207 CO 0.05 -0.79 0.05 -1.14 -1.34 0.00 0.00 175.55 172.38 3ihh s GLN 208 N 2.28 2.86 0.45 4.97 0.74 0.53 -1.62 119.66 129.87 3ihh s GLN 208 Ca 0.13 -1.00 0.29 0.00 0.05 0.00 0.00 55.36 54.84 3ihh s GLN 208 Cb -0.18 -3.30 1.09 0.00 1.10 0.00 0.00 33.01 31.72 3ihh s GLN 208 CO 0.14 -0.51 1.86 0.07 -0.55 0.00 0.00 175.29 176.29 3ihh h ARG 209 N 8.17 0.00 -2.13 1.67 0.11 -1.08 0.10 114.38 121.21 3ihh h ARG 209 Ca -0.29 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.79 3ihh h ARG 209 Cb 1.11 0.00 -0.22 0.00 1.11 0.00 0.00 29.97 31.96 3ihh h ARG 209 CO 0.59 0.00 -0.06 0.45 0.10 0.00 0.00 179.97 181.05 3ihh s SER 210 N -5.41 -0.87 -0.07 0.08 0.15 -1.26 -1.22 113.70 105.10 3ihh s SER 210 Ca 0.03 1.39 -0.02 0.00 0.70 0.00 0.00 55.95 58.06 3ihh s SER 210 Cb 0.09 1.36 0.03 0.00 -1.71 0.00 0.00 66.02 65.79 3ihh s SER 210 CO 0.54 -0.23 0.05 -0.83 1.20 0.00 0.00 173.24 173.97 3ihh s GLY 211 N 1.75 0.31 -0.56 9.45 0.00 -0.46 -4.93 107.32 112.88 3ihh s GLY 211 Ca -0.09 0.02 -0.25 0.00 0.00 0.00 0.00 44.72 44.39 3ihh s GLY 211 CO -0.18 1.36 1.01 -0.35 0.00 0.00 0.00 173.10 174.94 3ihh s ASP 212 N 2.10 6.37 0.36 1.64 -1.08 -1.26 -1.23 116.67 123.57 3ihh s ASP 212 Ca 0.04 -0.22 0.09 0.00 -0.52 0.00 0.00 52.55 51.95 3ihh s ASP 212 Cb -0.13 -2.47 0.68 0.00 -1.46 0.00 0.00 42.92 39.55 3ihh s ASP 212 CO -0.04 -1.30 1.84 0.24 0.52 0.00 0.00 175.17 176.43 3ihh h MET 213 N 9.38 0.20 0.14 4.34 2.86 -1.19 -0.48 114.93 130.17 3ihh h MET 213 Ca -0.26 -0.06 -0.30 0.00 -2.06 0.00 0.00 59.70 57.02 3ihh h MET 213 Cb 1.07 -0.02 0.03 0.00 0.06 0.00 0.00 31.60 32.74 3ihh h MET 213 CO 1.12 0.44 -1.28 0.78 1.06 0.00 0.00 176.91 179.02 3ihh h GLY 214 N 0.93 0.65 0.00 8.32 0.00 -1.91 -3.40 103.07 107.67 3ihh h GLY 214 Ca 0.03 -1.41 -0.15 0.00 0.00 0.00 0.00 47.33 45.80 3ihh h GLY 214 CO 0.04 1.24 -1.55 1.04 0.00 0.00 0.00 176.54 177.31 3ihh n LEU 215 N -3.75 1.80 -0.11 3.11 4.32 -1.18 -4.86 117.00 116.33 3ihh n LEU 215 Ca -0.14 -0.03 -0.21 0.00 -0.02 0.00 0.00 56.01 55.62 3ihh n LEU 215 Cb 1.01 -0.13 -0.08 0.00 -1.62 0.00 0.00 43.42 42.60 3ihh n LEU 215 CO 0.58 0.48 -0.99 0.61 -1.22 0.00 0.00 177.39 176.85 3ihh n GLY 216 N 2.83 -0.59 0.35 -0.72 0.00 -0.29 -4.60 105.19 102.17 3ihh n GLY 216 Ca -0.16 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.00 1.03 -0.60 1.61 2.07 -1.49 -0.87 116.25 116.99 3ihh h VAL 217 Ca -0.39 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 3ihh h VAL 217 Cb 1.30 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3ihh h VAL 217 CO -0.24 0.19 0.36 -0.65 0.02 0.00 0.00 177.57 177.25 3ihh h PRO 218 N 1.04 0.81 -0.69 1.57 0.11 -1.83 0.42 132.00 133.44 3ihh h PRO 218 Ca 0.42 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 66.47 3ihh h PRO 218 Cb 0.25 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.15 3ihh h PRO 218 CO -0.20 0.59 0.45 0.35 -0.21 0.00 0.00 178.00 178.98 3ihh h PHE 219 N 0.81 0.85 -0.47 0.65 3.04 -1.56 -2.73 116.94 117.54 3ihh h PHE 219 Ca 0.21 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.14 3ihh h PHE 219 Cb -0.02 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.19 3ihh h PHE 219 CO -0.02 0.52 0.09 -0.91 -2.02 0.00 0.00 178.31 175.97 3ihh h ASN 220 N 0.91 0.72 -0.21 0.41 -0.26 -0.43 -1.19 115.58 115.54 3ihh h ASN 220 Ca 0.26 -0.25 0.05 0.00 -0.56 0.00 0.00 56.30 55.81 3ihh h ASN 220 Cb -0.06 -0.19 -0.06 0.00 -1.06 0.00 0.00 38.32 36.95 3ihh h ASN 220 CO -0.07 0.79 -0.17 0.40 -1.06 0.00 0.00 177.43 177.32 3ihh h ILE 221 N 0.63 0.54 -0.94 2.81 2.04 -0.86 -2.30 117.51 119.45 3ihh h ILE 221 Ca 0.14 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.11 3ihh h ILE 221 Cb 0.36 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 36.90 3ihh h ILE 221 CO 0.01 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.73 3ihh h ALA 222 N 0.95 1.37 -0.16 1.87 0.00 -1.12 -1.29 119.26 120.88 3ihh h ALA 222 Ca 0.12 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3ihh h ALA 222 Cb 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ihh h ALA 222 CO -0.31 0.21 -0.01 0.77 0.00 0.00 0.00 179.25 179.91 3ihh h SER 223 N 0.94 0.28 1.23 0.00 0.02 -0.73 0.68 113.55 115.97 3ihh h SER 223 Ca 0.45 -0.32 -0.15 0.00 -0.84 0.00 0.00 61.79 60.93 3ihh h SER 223 Cb 0.40 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3ihh h SER 223 CO -0.25 0.53 -0.72 1.88 -1.14 0.00 0.00 176.83 177.14 3ihh h TYR 224 N 0.01 0.00 -0.73 3.45 -1.99 -1.29 0.29 116.97 116.70 3ihh h TYR 224 Ca 0.04 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.73 3ihh h TYR 224 Cb 0.40 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.09 3ihh h TYR 224 CO 0.04 0.72 0.30 0.00 -0.00 0.00 0.00 178.16 179.22 3ihh h ALA 225 N 1.28 0.95 -0.15 3.88 0.00 -1.09 -1.15 119.26 122.99 3ihh h ALA 225 Ca -0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3ihh h ALA 225 Cb 1.53 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ihh h ALA 225 CO 0.09 0.56 -0.11 1.25 0.00 0.00 0.00 179.25 181.04 3ihh h LEU 226 N 1.05 0.35 -0.91 0.00 5.85 -0.49 -0.41 115.31 120.75 3ihh h LEU 226 Ca 0.25 -0.45 0.17 0.00 0.84 0.00 0.00 57.88 58.69 3ihh h LEU 226 Cb 0.20 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.02 3ihh h LEU 226 CO -0.02 0.73 0.49 0.25 -0.34 0.00 0.00 178.44 179.55 3ihh h LEU 227 N -0.02 0.59 -0.26 2.25 5.85 -0.78 -0.65 115.31 122.28 3ihh h LEU 227 Ca 0.03 0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 3ihh h LEU 227 Cb 0.62 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 3ihh h LEU 227 CO 0.03 0.20 -0.41 0.74 -0.34 0.00 0.00 178.44 178.66 3ihh h THR 228 N 0.63 1.30 -0.67 1.05 2.02 -0.74 0.14 112.91 116.65 3ihh h THR 228 Ca 0.52 -1.61 0.07 0.00 0.77 0.00 0.00 66.41 66.16 3ihh h THR 228 Cb 0.81 1.70 -0.06 0.00 -1.74 0.00 0.00 68.15 68.86 3ihh h THR 228 CO -0.40 0.51 0.36 1.88 0.37 0.00 0.00 175.52 178.24 3ihh h TYR 229 N 0.47 0.65 0.22 3.16 -1.99 -0.58 -0.84 116.97 118.06 3ihh h TYR 229 Ca 0.02 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 3ihh h TYR 229 Cb 1.01 -0.19 0.00 0.00 2.00 0.00 0.00 36.73 39.55 3ihh h TYR 229 CO 0.08 0.29 -0.11 0.52 -0.00 0.00 0.00 178.16 178.94 3ihh h MET 230 N 0.65 -0.29 -0.63 4.88 2.86 -0.56 -1.63 114.93 120.21 3ihh h MET 230 Ca 0.31 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.93 3ihh h MET 230 Cb 0.23 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 3ihh h MET 230 CO -0.21 -0.05 0.26 0.82 1.06 0.00 0.00 176.91 178.79 3ihh h ILE 231 N -0.49 1.23 -0.65 -1.22 2.04 -0.61 -2.11 117.51 115.71 3ihh h ILE 231 Ca -0.03 -0.72 0.13 0.00 1.00 0.00 0.00 64.86 65.24 3ihh h ILE 231 Cb 0.37 0.53 -0.09 0.00 -0.74 0.00 0.00 36.82 36.88 3ihh h ILE 231 CO 0.05 0.28 0.14 0.00 0.00 0.00 0.00 178.15 178.62 3ihh h ALA 232 N 1.10 0.78 -0.27 1.87 0.00 -1.14 0.38 119.26 121.98 3ihh h ALA 232 Ca 0.21 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3ihh h ALA 232 Cb 0.20 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ihh h ALA 232 CO -0.02 -0.32 0.14 1.25 0.00 0.00 0.00 179.25 180.30 3ihh h HIS 233 N 0.26 0.39 -0.52 0.00 -0.00 -0.77 -0.97 115.15 113.54 3ihh h HIS 233 Ca 0.35 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.66 3ihh h HIS 233 Cb 0.54 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.80 3ihh h HIS 233 CO -0.26 0.35 0.15 0.82 -0.00 0.00 0.00 177.93 178.99 3ihh h ILE 234 N 0.32 1.21 -0.20 6.26 1.08 -0.93 -3.08 117.51 122.16 3ihh h ILE 234 Ca 0.09 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.83 3ihh h ILE 234 Cb 0.10 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 34.50 3ihh h ILE 234 CO -0.01 0.28 0.00 0.35 -0.69 0.00 0.00 178.15 178.07 3ihh n THR 235 N -4.30 0.25 -1.89 -0.27 -2.24 0.08 -4.96 114.28 100.95 3ihh n THR 235 Ca 0.04 -0.53 -0.13 0.00 -2.27 0.00 0.00 64.05 61.17 3ihh n THR 235 Cb 0.20 0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.34 0.45 3.80 3.38 0.00 -0.47 -4.92 105.19 108.77 3ihh n GLY 236 Ca 0.17 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.32 2.98 -0.01 0.99 1.43 -0.61 -5.04 118.68 115.09 3ihh s LEU 237 Ca 0.00 -1.13 -0.01 0.00 -1.03 0.00 0.00 54.13 51.96 3ihh s LEU 237 Cb 0.00 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 3ihh s LEU 237 CO 0.00 -0.73 0.09 -1.10 0.23 0.00 0.00 176.35 174.84 3ihh s GLN 238 N -4.03 3.11 0.35 1.70 -1.52 -0.31 -4.34 119.66 114.62 3ihh s GLN 238 Ca 0.37 -0.45 -0.28 0.00 -1.95 0.00 0.00 55.36 53.05 3ihh s GLN 238 Cb 0.01 -2.89 -0.10 0.00 -0.22 0.00 0.00 33.01 29.81 3ihh s GLN 238 CO 0.21 0.66 1.34 -2.14 -0.25 0.00 0.00 175.29 175.11 3ihh s PRO 239 N -1.68 4.27 0.00 2.91 0.02 -1.26 -0.79 135.00 138.47 3ihh s PRO 239 Ca 0.22 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3ihh s PRO 239 Cb -0.12 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3ihh s PRO 239 CO 0.13 -0.28 0.00 0.41 -0.33 0.00 0.00 177.00 176.93 3ihh n GLY 240 N 0.72 0.13 3.23 0.52 0.00 0.17 -4.29 105.19 105.66 3ihh n GLY 240 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.34 2.07 -0.26 1.61 1.01 -1.26 -0.42 116.67 119.08 3ihh s ASP 241 Ca 0.00 -0.68 -0.06 0.00 0.71 0.00 0.00 52.55 52.52 3ihh s ASP 241 Cb 0.00 -0.09 -0.01 0.00 1.01 0.00 0.00 42.92 43.84 3ihh s ASP 241 CO 0.00 -0.04 0.04 0.12 0.21 0.00 0.00 175.17 175.50 3ihh s PHE 242 N -1.41 3.08 -0.33 4.23 5.36 -0.17 -1.28 117.98 127.46 3ihh s PHE 242 Ca 0.03 -0.84 -0.11 0.00 -0.96 0.00 0.00 56.93 55.06 3ihh s PHE 242 Cb -0.09 -2.20 -0.01 0.00 -0.34 0.00 0.00 43.02 40.38 3ihh s PHE 242 CO 0.03 -0.51 0.20 0.08 -1.46 0.00 0.00 175.22 173.55 3ihh s VAL 243 N 1.52 4.92 -0.31 3.12 1.01 0.52 -0.25 120.40 130.92 3ihh s VAL 243 Ca 0.04 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 3ihh s VAL 243 Cb -0.16 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 3ihh s VAL 243 CO 0.01 0.02 0.26 -2.28 0.00 0.00 0.00 175.10 173.11 3ihh s HIS 244 N 1.66 3.22 -0.12 5.22 2.46 0.54 -0.99 115.29 127.28 3ihh s HIS 244 Ca 0.05 -0.01 0.01 0.00 0.47 0.00 0.00 55.06 55.58 3ihh s HIS 244 Cb -0.17 -2.48 -0.01 0.00 -0.13 0.00 0.00 32.58 29.78 3ihh s HIS 244 CO 0.08 -0.29 -0.15 0.99 -2.47 0.00 0.00 174.74 172.90 3ihh s THR 245 N 1.82 2.86 0.05 0.89 2.01 -0.46 -1.15 115.64 121.66 3ihh s THR 245 Ca 0.08 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.42 3ihh s THR 245 Cb -0.17 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 3ihh s THR 245 CO 0.11 0.53 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.63 3ihh s LEU 246 N 0.34 2.64 0.00 4.42 1.43 -0.63 -0.34 118.68 126.54 3ihh s LEU 246 Ca -0.12 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 3ihh s LEU 246 Cb -0.16 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.52 3ihh s LEU 246 CO 0.06 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.50 3ihh n GLY 247 N 1.45 0.80 3.54 -3.19 0.00 0.36 -2.17 105.19 105.98 3ihh n GLY 247 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 6.25 -0.20 1.61 -1.08 -0.36 -0.61 116.67 121.27 3ihh s ASP 248 Ca 0.00 -0.41 -0.19 0.00 -0.52 0.00 0.00 52.55 51.43 3ihh s ASP 248 Cb 0.00 -2.52 -0.03 0.00 -1.46 0.00 0.00 42.92 38.91 3ihh s ASP 248 CO 0.00 -1.63 0.54 0.00 0.52 0.00 0.00 175.17 174.60 3ihh s ALA 249 N 5.08 3.55 0.04 3.66 0.00 -0.52 -1.36 121.76 132.22 3ihh s ALA 249 Ca 0.34 -0.39 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 3ihh s ALA 249 Cb -0.10 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.18 3ihh s ALA 249 CO 0.17 -0.48 0.20 -3.38 0.00 0.00 0.00 175.76 172.28 3ihh s HIS 250 N 1.72 0.05 -0.09 0.00 -3.43 -0.36 -1.35 115.29 111.82 3ihh s HIS 250 Ca 0.25 -0.27 0.04 0.00 -0.80 0.00 0.00 55.06 54.27 3ihh s HIS 250 Cb -0.15 -0.02 -0.00 0.00 -1.43 0.00 0.00 32.58 30.97 3ihh s HIS 250 CO 0.10 -0.44 -0.23 0.42 -2.00 0.00 0.00 174.74 172.58 3ihh s ILE 251 N -2.65 1.99 0.37 -5.38 1.01 -0.61 -0.49 121.20 115.44 3ihh s ILE 251 Ca -0.04 -0.98 -0.26 0.00 0.00 0.00 0.00 60.65 59.37 3ihh s ILE 251 Cb -0.01 -1.72 -0.09 0.00 0.01 0.00 0.00 42.46 40.66 3ihh s ILE 251 CO -0.04 0.54 1.12 -0.31 0.00 0.00 0.00 174.94 176.25 3ihh s TYR 252 N 0.31 3.24 0.34 3.97 2.02 -1.26 -0.89 117.35 125.08 3ihh s TYR 252 Ca -0.17 1.61 0.05 0.00 -0.37 0.00 0.00 57.07 58.19 3ihh s TYR 252 Cb -0.17 -3.29 0.69 0.00 -0.40 0.00 0.00 41.96 38.79 3ihh s TYR 252 CO 0.08 -0.95 1.94 -0.07 -1.57 0.00 0.00 175.55 174.98 3ihh h LEU 253 N 2.85 0.73 0.00 -1.29 3.38 -1.55 0.18 115.31 119.61 3ihh h LEU 253 Ca -0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3ihh h LEU 253 Cb 1.22 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3ihh h LEU 253 CO 0.63 0.46 0.00 -0.46 0.09 0.00 0.00 178.44 179.17 3ihh n ASN 254 N -4.49 0.00 -0.10 -0.43 6.94 -1.26 -2.63 115.26 113.29 3ihh n ASN 254 Ca 0.12 -0.24 0.09 0.00 -0.02 0.00 0.00 54.58 54.53 3ihh n ASN 254 Cb 0.24 -0.11 -0.09 0.00 -2.36 0.00 0.00 39.78 37.46 3ihh n ASN 254 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3ihh n HIS 255 N -1.11 0.00 -0.19 -2.53 8.25 0.64 -4.61 115.22 115.67 3ihh n HIS 255 Ca 0.09 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.46 3ihh n HIS 255 Cb 0.07 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.20 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 0.50 1.25 -0.08 1.59 2.04 -1.54 -1.99 117.51 119.28 3ihh h ILE 256 Ca 0.00 -0.97 -0.09 0.00 1.00 0.00 0.00 64.86 64.81 3ihh h ILE 256 Cb 0.50 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3ihh h ILE 256 CO 0.00 0.35 -0.29 -0.33 0.00 0.00 0.00 178.15 177.88 3ihh h GLU 257 N 0.76 0.33 -0.85 2.37 4.39 -1.82 -1.41 114.58 118.36 3ihh h GLU 257 Ca 0.16 -0.25 0.04 0.00 0.34 0.00 0.00 59.36 59.64 3ihh h GLU 257 Cb 0.42 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.07 3ihh h GLU 257 CO 0.01 0.88 0.56 -1.00 -1.16 0.00 0.00 179.01 178.30 3ihh h PRO 258 N -0.15 1.02 -0.35 2.33 0.13 -1.84 -2.59 132.00 130.55 3ihh h PRO 258 Ca -0.01 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 65.00 3ihh h PRO 258 Cb 0.92 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 3ihh h PRO 258 CO 0.06 0.67 -0.03 -0.07 -0.23 0.00 0.00 178.00 178.40 3ihh h LEU 259 N 1.05 0.54 -2.23 1.56 3.38 -1.21 -0.71 115.31 117.69 3ihh h LEU 259 Ca 0.34 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3ihh h LEU 259 Cb 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3ihh h LEU 259 CO -0.10 0.63 -0.03 0.11 0.09 0.00 0.00 178.44 179.13 3ihh h LYS 260 N 0.54 0.00 0.02 1.13 1.57 -0.87 0.28 116.57 119.24 3ihh h LYS 260 Ca 0.11 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3ihh h LYS 260 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3ihh h LYS 260 CO 0.02 0.03 -0.17 0.82 -0.57 0.00 0.00 179.45 179.58 3ihh h ILE 261 N 0.00 1.68 -0.88 1.86 2.04 -1.15 -3.28 117.51 117.77 3ihh h ILE 261 Ca -0.00 -2.23 0.10 0.00 1.00 0.00 0.00 64.86 63.74 3ihh h ILE 261 Cb 0.08 3.18 -0.06 0.00 -0.74 0.00 0.00 36.82 39.27 3ihh h ILE 261 CO 0.00 0.59 0.57 -0.61 0.00 0.00 0.00 178.15 178.71 3ihh h GLN 262 N -0.78 0.81 0.00 2.37 4.15 -0.63 -1.72 115.11 119.32 3ihh h GLN 262 Ca -0.03 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.34 3ihh h GLN 262 Cb 1.07 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.58 3ihh h GLN 262 CO 0.03 0.54 0.00 -0.07 -1.93 0.00 0.00 178.83 177.40 3ihh h LEU 263 N 0.84 0.00 -1.51 -2.39 3.38 -1.02 -0.73 115.31 113.89 3ihh h LEU 263 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3ihh h LEU 263 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3ihh h LEU 263 CO -0.18 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.35 3ihh n GLN 264 N -2.43 2.02 -3.34 1.13 1.13 -0.65 -4.85 117.38 110.40 3ihh n GLN 264 Ca 0.00 -1.50 -0.38 0.00 -1.94 0.00 0.00 57.00 53.18 3ihh n GLN 264 Cb 0.17 -1.47 -0.06 0.00 0.11 0.00 0.00 30.24 28.99 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 -1.92 4.22 -0.10 -1.09 0.52 -0.28 -5.06 118.95 115.24 3ihh s ARG 265 Ca 0.34 0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 55.76 3ihh s ARG 265 Cb 0.20 -3.35 -0.02 0.00 0.52 0.00 0.00 34.95 32.30 3ihh s ARG 265 CO 0.31 0.36 1.10 -1.21 0.02 0.00 0.00 175.30 175.88 3ihh s GLU 266 N -0.08 4.37 0.43 3.54 0.41 -1.26 -4.98 118.70 121.13 3ihh s GLU 266 Ca 0.26 1.51 -0.24 0.00 -0.41 0.00 0.00 54.97 56.10 3ihh s GLU 266 Cb -0.16 -3.57 -0.10 0.00 -1.78 0.00 0.00 34.13 28.52 3ihh s GLU 266 CO 0.13 -0.42 1.06 -2.30 -0.49 0.00 0.00 175.26 173.25 3ihh n PRO 267 N 5.28 1.45 -3.01 0.39 -0.02 -1.26 -4.92 135.00 132.91 3ihh n PRO 267 Ca 0.10 0.52 -0.32 0.00 -2.02 0.00 0.00 63.50 61.79 3ihh n PRO 267 Cb 0.47 -2.11 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 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 -2.08 3.90 0.21 -0.52 3.00 -1.26 -5.02 118.95 117.18 3ihh s ARG 268 Ca 0.63 0.58 -0.32 0.00 0.00 0.00 0.00 55.73 56.63 3ihh s ARG 268 Cb -0.54 -2.41 -0.15 0.00 0.00 0.00 0.00 34.95 31.85 3ihh s ARG 268 CO 0.57 0.07 1.27 -2.30 0.00 0.00 0.00 175.30 174.90 3ihh n PRO 269 N -0.78 1.56 -1.36 3.54 -0.02 -1.26 -4.84 135.00 131.84 3ihh n PRO 269 Ca 0.03 0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 61.71 3ihh n PRO 269 Cb 0.53 -2.12 0.10 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.64 1.42 -1.12 6.00 3.72 -1.26 -4.76 117.46 123.10 3ihh n PHE 270 Ca 0.13 0.41 -0.30 0.00 -0.05 0.00 0.00 57.45 57.64 3ihh n PHE 270 Cb 0.28 -2.16 0.24 0.00 -0.94 0.00 0.00 39.48 36.90 3ihh n PHE 270 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3ihh s PRO 271 N -3.74 -1.27 0.10 -1.08 0.04 -1.25 -4.73 135.00 123.06 3ihh s PRO 271 Ca 0.77 -0.14 0.05 0.00 0.04 0.00 0.00 61.00 61.72 3ihh s PRO 271 Cb -0.33 -1.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 3ihh s PRO 271 CO 0.47 -3.73 -0.00 0.15 0.04 0.00 0.00 177.00 173.93 3ihh s LYS 272 N -5.48 2.51 -0.21 4.56 1.02 -0.45 -0.63 119.74 121.06 3ihh s LYS 272 Ca 0.72 -0.89 -0.05 0.00 0.02 0.00 0.00 55.97 55.77 3ihh s LYS 272 Cb -0.08 -2.50 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 3ihh s LYS 272 CO 0.56 0.53 0.01 -1.17 -0.92 0.00 0.00 175.35 174.35 3ihh s LEU 273 N -2.41 3.26 -0.14 3.17 2.96 -1.26 -0.89 118.68 123.37 3ihh s LEU 273 Ca 0.26 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.86 3ihh s LEU 273 Cb -0.11 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 3ihh s LEU 273 CO 0.18 0.03 0.16 -0.54 -1.32 0.00 0.00 176.35 174.86 3ihh s LYS 274 N 1.19 3.73 -0.21 1.98 -0.14 0.57 -4.98 119.74 121.89 3ihh s LYS 274 Ca 0.03 -0.12 -0.06 0.00 -1.36 0.00 0.00 55.97 54.47 3ihh s LYS 274 Cb -0.14 -3.27 -0.03 0.00 -1.68 0.00 0.00 37.83 32.71 3ihh s LYS 274 CO 0.01 0.60 0.02 0.42 -0.76 0.00 0.00 175.35 175.65 3ihh s ILE 275 N -0.54 4.06 -1.74 2.17 1.01 -1.26 -1.38 121.20 123.53 3ihh s ILE 275 Ca 0.13 -0.27 0.24 0.00 0.00 0.00 0.00 60.65 60.76 3ihh s ILE 275 Cb -0.12 -2.85 0.11 0.00 0.01 0.00 0.00 42.46 39.61 3ihh s ILE 275 CO 0.03 0.41 1.33 0.18 0.00 0.00 0.00 174.94 176.88 3ihh n LEU 276 N 4.41 1.34 -3.71 2.97 4.77 0.79 -4.87 117.00 122.70 3ihh n LEU 276 Ca -0.17 -0.44 -0.10 0.00 -0.03 0.00 0.00 56.01 55.27 3ihh n LEU 276 Cb 0.52 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 3ihh n LEU 276 CO 0.31 0.26 0.16 0.00 -1.33 0.00 0.00 177.39 176.79 3ihh s ARG 277 N -2.57 1.15 -0.28 3.23 1.70 -1.26 -5.08 118.95 115.83 3ihh s ARG 277 Ca 0.20 -0.82 -0.29 0.00 -0.47 0.00 0.00 55.73 54.35 3ihh s ARG 277 Cb 0.18 0.47 0.01 0.00 -0.57 0.00 0.00 34.95 35.04 3ihh s ARG 277 CO 0.58 -0.46 1.17 0.21 -1.08 0.00 0.00 175.30 175.73 3ihh s LYS 278 N -3.85 4.06 -0.04 3.89 2.47 -1.26 -5.02 119.74 120.00 3ihh s LYS 278 Ca 0.06 1.24 0.03 0.00 -1.56 0.00 0.00 55.97 55.75 3ihh s LYS 278 Cb 0.01 -3.78 -0.03 0.00 -1.46 0.00 0.00 37.83 32.58 3ihh s LYS 278 CO -0.08 -0.92 -0.13 0.54 0.16 0.00 0.00 175.35 174.92 3ihh s VAL 279 N 3.83 3.21 -0.13 4.02 0.11 -1.26 -5.04 120.40 125.14 3ihh s VAL 279 Ca 0.50 -0.73 0.14 0.00 -2.93 0.00 0.00 61.98 58.96 3ihh s VAL 279 Cb -0.15 -2.29 -0.24 0.00 -1.53 0.00 0.00 36.38 32.17 3ihh s VAL 279 CO 0.17 0.55 0.35 -0.62 -3.33 0.00 0.00 175.10 172.22 3ihh n GLU 280 N 2.14 0.66 -4.21 1.54 -0.58 -1.26 -4.58 120.64 114.35 3ihh n GLU 280 Ca -0.17 0.15 -0.14 0.00 -0.42 0.00 0.00 57.16 56.58 3ihh n GLU 280 Cb 0.52 -1.66 -0.10 0.00 -0.57 0.00 0.00 31.44 29.63 3ihh n GLU 280 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3ihh s THR 281 N -2.54 1.04 0.43 2.62 -4.23 -1.26 -4.93 115.64 106.77 3ihh s THR 281 Ca -0.09 -1.86 0.17 0.00 -1.18 0.00 0.00 61.69 58.73 3ihh s THR 281 Cb 0.07 -1.62 0.19 0.00 1.34 0.00 0.00 72.50 72.48 3ihh s THR 281 CO 0.82 -0.67 1.98 -0.29 -0.54 0.00 0.00 174.62 175.92 3ihh h ILE 282 N 3.15 1.04 0.00 2.99 6.09 -1.95 -2.94 117.51 125.89 3ihh h ILE 282 Ca -0.37 -0.70 -0.03 0.00 -1.37 0.00 0.00 64.86 62.39 3ihh h ILE 282 Cb 1.19 1.39 -0.00 0.00 0.47 0.00 0.00 36.82 39.86 3ihh h ILE 282 CO 0.59 0.19 -0.13 0.44 -3.07 0.00 0.00 178.15 176.17 3ihh h ASP 283 N 0.00 0.00 0.59 2.19 5.19 -1.96 -3.14 116.42 119.30 3ihh h ASP 283 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3ihh h ASP 283 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 3ihh h ASP 283 CO 0.03 0.13 -0.22 -0.67 -3.12 0.00 0.00 179.24 175.38 3ihh n ASP 284 N -3.20 0.37 -4.77 6.45 2.03 -1.11 -4.89 116.55 111.44 3ihh n ASP 284 Ca 0.02 -0.16 -0.41 0.00 0.52 0.00 0.00 54.79 54.76 3ihh n ASP 284 Cb 0.46 -0.07 -0.01 0.00 -0.72 0.00 0.00 41.12 40.77 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 -2.82 2.80 0.13 -0.67 0.08 -1.19 -5.02 117.98 111.30 3ihh s PHE 285 Ca 0.18 1.23 0.05 0.00 0.12 0.00 0.00 56.93 58.50 3ihh s PHE 285 Cb 0.19 -3.88 -0.04 0.00 -0.57 0.00 0.00 43.02 38.72 3ihh s PHE 285 CO 0.57 -2.58 -0.11 0.15 -0.10 0.00 0.00 175.22 173.16 3ihh s LYS 286 N -1.74 0.99 0.55 0.44 1.02 -1.26 -5.04 119.74 114.70 3ihh s LYS 286 Ca 0.52 -1.32 0.26 0.00 0.02 0.00 0.00 55.97 55.45 3ihh s LYS 286 Cb -0.44 -0.66 1.47 0.00 -0.52 0.00 0.00 37.83 37.68 3ihh s LYS 286 CO 0.57 0.10 2.02 -0.39 -0.92 0.00 0.00 175.35 176.72 3ihh h VAL 287 N 3.15 0.63 -0.00 3.17 -1.51 -1.96 -0.94 116.25 118.79 3ihh h VAL 287 Ca -0.37 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 3ihh h VAL 287 Cb 1.19 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 3ihh h VAL 287 CO 0.58 0.00 -0.12 -0.62 -1.23 0.00 0.00 177.57 176.18 3ihh n GLU 288 N -4.14 0.60 0.00 5.19 4.71 -1.26 -3.34 120.64 122.39 3ihh n GLU 288 Ca 0.07 -0.20 0.13 0.00 -0.01 0.00 0.00 57.16 57.15 3ihh n GLU 288 Cb 0.52 -1.50 0.66 0.00 -1.01 0.00 0.00 31.44 30.11 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 -1.02 0.00 -4.35 1.62 8.00 -0.36 -4.84 116.55 115.60 3ihh n ASP 289 Ca 0.13 0.02 -0.32 0.00 0.71 0.00 0.00 54.79 55.34 3ihh n ASP 289 Cb 0.28 -0.33 -0.15 0.00 -0.02 0.00 0.00 41.12 40.90 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 -2.65 2.47 -0.04 1.24 0.08 -1.21 -0.15 117.98 117.72 3ihh s PHE 290 Ca 0.23 -0.42 -0.02 0.00 0.12 0.00 0.00 56.93 56.84 3ihh s PHE 290 Cb 0.18 -1.57 0.03 0.00 -0.57 0.00 0.00 43.02 41.09 3ihh s PHE 290 CO 0.43 -0.02 0.05 -1.14 -0.10 0.00 0.00 175.22 174.44 3ihh s GLN 291 N -0.53 -0.05 -0.17 0.44 0.74 -0.48 -4.99 119.66 114.62 3ihh s GLN 291 Ca 0.07 0.33 -0.26 0.00 0.05 0.00 0.00 55.36 55.56 3ihh s GLN 291 Cb -0.11 -0.48 -0.01 0.00 1.10 0.00 0.00 33.01 33.51 3ihh s GLN 291 CO 0.01 -0.30 0.86 0.42 -0.55 0.00 0.00 175.29 175.73 3ihh s ILE 292 N 1.96 4.86 -0.15 -2.34 -1.09 -1.26 -0.31 121.20 122.87 3ihh s ILE 292 Ca 0.02 1.69 -0.03 0.00 -2.23 0.00 0.00 60.65 60.11 3ihh s ILE 292 Cb -0.12 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.57 3ihh s ILE 292 CO -0.03 0.00 -0.06 -1.61 -1.23 0.00 0.00 174.94 172.01 3ihh s GLU 293 N 2.25 3.58 -0.36 2.79 2.02 -0.07 -4.71 118.70 124.20 3ihh s GLU 293 Ca 0.39 -0.57 -0.01 0.00 0.02 0.00 0.00 54.97 54.80 3ihh s GLU 293 Cb -0.16 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.23 3ihh s GLU 293 CO 0.12 0.22 0.15 0.41 0.02 0.00 0.00 175.26 176.18 3ihh n GLY 294 N 3.56 0.41 3.63 -1.39 0.00 -1.26 -1.33 105.19 108.80 3ihh n GLY 294 Ca -0.18 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.69 3.26 -0.52 1.61 5.04 -1.26 -4.13 117.35 118.66 3ihh s TYR 295 Ca 0.07 0.93 0.07 0.00 -2.44 0.00 0.00 57.07 55.71 3ihh s TYR 295 Cb -0.03 -3.07 0.29 0.00 0.35 0.00 0.00 41.96 39.49 3ihh s TYR 295 CO 0.09 -0.45 0.74 0.09 -1.34 0.00 0.00 175.55 174.68 3ihh n ASN 296 N 6.02 2.57 -4.78 4.32 3.02 -1.26 -5.07 115.26 120.09 3ihh n ASN 296 Ca 0.03 -3.25 -0.36 0.00 -0.03 0.00 0.00 54.58 50.98 3ihh n ASN 296 Cb 0.48 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 39.01 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 -2.40 3.69 0.53 3.52 0.04 -1.26 -4.76 135.00 134.36 3ihh s PRO 297 Ca 0.41 1.60 -0.22 0.00 0.04 0.00 0.00 61.00 62.82 3ihh s PRO 297 Cb 0.22 -2.23 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 3ihh s PRO 297 CO -0.08 -0.56 1.32 0.72 0.04 0.00 0.00 177.00 178.44 3ihh n HIS 298 N -0.79 2.18 -0.78 0.56 8.25 0.16 -4.92 115.22 119.88 3ihh n HIS 298 Ca 0.09 0.44 -0.30 0.00 -0.26 0.00 0.00 57.72 57.69 3ihh n HIS 298 Cb 0.50 -2.35 0.18 0.00 1.12 0.00 0.00 29.99 29.44 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 -2.75 0.65 -0.11 -0.41 0.04 -1.26 -4.22 135.00 126.93 3ihh s PRO 299 Ca 0.70 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.67 3ihh s PRO 299 Cb -0.43 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 3ihh s PRO 299 CO 0.51 -2.78 1.93 0.99 0.04 0.00 0.00 177.00 177.68 3ihh s THR 300 N -2.66 3.23 -0.30 1.26 2.01 -1.26 -4.95 115.64 112.97 3ihh s THR 300 Ca 0.66 0.27 -0.24 0.00 0.31 0.00 0.00 61.69 62.69 3ihh s THR 300 Cb -0.22 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.06 3ihh s THR 300 CO 0.59 -0.08 0.83 -0.63 -0.69 0.00 0.00 174.62 174.64 3ihh s ILE 301 N 5.74 4.76 -0.18 1.82 -1.09 -1.26 -5.06 121.20 125.92 3ihh s ILE 301 Ca 0.86 1.28 -0.24 0.00 -2.23 0.00 0.00 60.65 60.32 3ihh s ILE 301 Cb -0.35 -4.18 -0.02 0.00 -1.58 0.00 0.00 42.46 36.34 3ihh s ILE 301 CO 0.36 -0.27 0.78 -0.54 -1.23 0.00 0.00 174.94 174.04 3ihh s LYS 302 N 3.04 4.27 -0.21 2.79 3.01 -1.26 -5.04 119.74 126.34 3ihh s LYS 302 Ca 0.34 0.91 -0.01 0.00 -1.01 0.00 0.00 55.97 56.20 3ihh s LYS 302 Cb -0.14 -3.58 0.06 0.00 -1.01 0.00 0.00 37.83 33.16 3ihh s LYS 302 CO 0.13 -0.32 -0.00 -1.64 0.51 0.00 0.00 175.35 174.02 3ihh s MET 303 N 2.13 1.08 -0.32 1.68 -1.94 -1.26 -4.91 119.30 115.75 3ihh s MET 303 Ca 0.36 -0.64 -0.34 0.00 -1.71 0.00 0.00 55.69 53.35 3ihh s MET 303 Cb -0.16 -2.28 -0.11 0.00 2.01 0.00 0.00 34.83 34.30 3ihh s MET 303 CO 0.12 -0.61 2.18 -1.91 -0.01 0.00 0.00 175.02 174.78 3ihh n GLU 304 N 4.89 1.24 -1.09 2.03 4.07 -1.26 -4.67 120.64 125.85 3ihh n GLU 304 Ca -0.10 0.35 -0.03 0.00 -0.06 0.00 0.00 57.16 57.31 3ihh n GLU 304 Cb 0.46 -2.57 -0.02 0.00 -0.06 0.00 0.00 31.44 29.24 3ihh n GLU 304 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 3ihh n MET 305 N 8.18 0.01 -3.14 5.31 0.00 -1.26 -4.84 117.12 121.39 3ihh n MET 305 Ca 0.39 -0.29 -0.44 0.00 -0.00 0.00 0.00 57.70 57.35 3ihh n MET 305 Cb 0.26 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 31.92 3ihh n MET 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3ihh s ALA 306 N 3.19 3.39 -2.35 -5.12 0.00 -1.26 -5.23 121.76 114.38 3ihh s ALA 306 Ca 0.14 -1.93 0.29 0.00 0.00 0.00 0.00 51.96 50.47 3ihh s ALA 306 Cb -0.01 -3.42 1.31 0.00 0.00 0.00 0.00 23.12 21.00 3ihh s ALA 306 CO 0.04 -2.14 1.89 1.55 0.00 0.00 0.00 175.76 177.09