#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hb4 s ARG 2 N 0.00 4.28 -0.26 0.00 0.52 -1.26 -5.01 118.95 117.22 3hb4 s ARG 2 Ca 0.00 1.29 -0.29 0.00 -0.52 0.00 0.00 55.73 56.21 3hb4 s ARG 2 Cb 0.00 -2.43 -0.01 0.00 0.52 0.00 0.00 34.95 33.03 3hb4 s ARG 2 CO 0.00 -0.00 1.37 0.99 0.02 0.00 0.00 175.30 177.68 3hb4 s THR 3 N -1.88 4.06 -0.11 0.02 2.01 0.06 -4.78 115.64 115.02 3hb4 s THR 3 Ca 0.58 1.21 -0.26 0.00 0.31 0.00 0.00 61.69 63.53 3hb4 s THR 3 Cb -0.15 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 3hb4 s THR 3 CO 0.20 -0.38 0.86 -0.69 -0.69 0.00 0.00 174.62 173.92 3hb4 s VAL 4 N 4.41 4.89 -0.15 3.82 1.01 -1.26 -0.41 120.40 132.72 3hb4 s VAL 4 Ca 0.59 1.74 0.01 0.00 0.00 0.00 0.00 61.98 64.32 3hb4 s VAL 4 Cb -0.19 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.03 3hb4 s VAL 4 CO 0.23 0.08 -0.17 -0.69 0.00 0.00 0.00 175.10 174.55 3hb4 s VAL 5 N 1.70 1.78 -0.25 2.92 1.01 -0.42 -0.54 120.40 126.60 3hb4 s VAL 5 Ca 0.42 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 3hb4 s VAL 5 Cb -0.18 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 3hb4 s VAL 5 CO 0.17 0.49 0.02 -0.22 0.00 0.00 0.00 175.10 175.57 3hb4 s LEU 6 N 1.20 3.33 -0.14 3.92 0.20 -0.57 -0.48 118.68 126.13 3hb4 s LEU 6 Ca 0.00 -0.44 -0.04 0.00 0.69 0.00 0.00 54.13 54.34 3hb4 s LEU 6 Cb -0.14 -1.83 -0.03 0.00 -0.43 0.00 0.00 46.19 43.76 3hb4 s LEU 6 CO -0.08 -0.07 -0.02 -0.63 -0.29 0.00 0.00 176.35 175.26 3hb4 s ILE 7 N 1.52 4.10 0.29 6.68 1.01 -0.54 -0.42 121.20 133.84 3hb4 s ILE 7 Ca 0.05 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.29 3hb4 s ILE 7 Cb -0.15 -2.79 -0.08 0.00 0.01 0.00 0.00 42.46 39.45 3hb4 s ILE 7 CO 0.00 0.51 0.65 0.42 0.00 0.00 0.00 174.94 176.52 3hb4 s THR 8 N 0.11 4.83 -0.72 2.92 -4.23 -0.62 -0.89 115.64 117.03 3hb4 s THR 8 Ca 0.01 0.63 -0.03 0.00 -1.18 0.00 0.00 61.69 61.12 3hb4 s THR 8 Cb -0.13 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 3hb4 s THR 8 CO 0.02 -0.19 0.62 0.61 -0.54 0.00 0.00 174.62 175.14 3hb4 n GLY 9 N -0.44 -0.38 1.35 3.99 0.00 -1.12 -3.25 105.19 105.35 3hb4 n GLY 9 Ca 0.02 0.20 0.10 0.00 0.00 0.00 0.00 46.02 46.34 3hb4 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hb4 h SER 11 N 3.82 0.00 -5.24 0.00 4.64 -1.87 -3.19 113.55 111.71 3hb4 h SER 11 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3hb4 h SER 11 Cb 1.11 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.15 3hb4 h SER 11 CO 0.11 0.32 0.00 -0.94 -0.87 0.00 0.00 176.83 175.45 3hb4 s SER 12 N -6.33 0.23 0.35 4.97 1.04 -1.26 -4.54 113.70 108.16 3hb4 s SER 12 Ca 0.05 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.35 3hb4 s SER 12 Cb 0.07 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.88 3hb4 s SER 12 CO 0.72 -1.36 0.00 0.61 0.98 0.00 0.00 173.24 174.19 3hb4 n GLY 13 N -0.49 0.74 0.24 7.32 0.00 -1.26 -2.98 105.19 108.77 3hb4 n GLY 13 Ca -0.03 -0.83 -0.00 0.00 0.00 0.00 0.00 46.02 45.16 3hb4 n GLY 13 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hb4 h ILE 14 N 0.00 0.83 -0.24 -0.61 2.04 -1.91 -1.27 117.51 116.35 3hb4 h ILE 14 Ca 0.00 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 3hb4 h ILE 14 Cb 0.00 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 3hb4 h ILE 14 CO 0.00 0.09 0.09 1.23 0.00 0.00 0.00 178.15 179.56 3hb4 h GLY 15 N 0.49 0.38 0.53 5.37 0.00 -1.72 0.91 103.07 109.03 3hb4 h GLY 15 Ca 0.31 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.45 3hb4 h GLY 15 CO -0.27 0.20 -0.28 -2.00 0.00 0.00 0.00 176.54 174.19 3hb4 h LEU 16 N 0.23 -0.78 -0.70 3.11 6.46 -1.46 -0.36 115.31 121.81 3hb4 h LEU 16 Ca 0.08 0.09 -0.10 0.00 -0.12 0.00 0.00 57.88 57.83 3hb4 h LEU 16 Cb 0.19 0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 3hb4 h LEU 16 CO -0.01 -0.37 -0.06 0.45 -0.62 0.00 0.00 178.44 177.83 3hb4 h HIS 17 N -0.50 1.03 -0.36 1.25 3.86 -1.11 -2.79 115.15 116.53 3hb4 h HIS 17 Ca 0.03 -0.19 -0.04 0.00 -1.16 0.00 0.00 60.37 59.01 3hb4 h HIS 17 Cb 0.52 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 3hb4 h HIS 17 CO -0.24 0.96 0.09 1.25 0.86 0.00 0.00 177.93 180.84 3hb4 h LEU 18 N 0.85 0.54 -0.33 2.43 5.85 -0.84 -1.46 115.31 122.36 3hb4 h LEU 18 Ca 0.15 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3hb4 h LEU 18 Cb 0.59 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.40 3hb4 h LEU 18 CO 0.04 0.64 -0.23 0.00 -0.34 0.00 0.00 178.44 178.54 3hb4 h ALA 19 N 0.93 -0.03 0.09 1.25 0.00 -0.80 -1.94 119.26 118.77 3hb4 h ALA 19 Ca 0.11 0.11 -0.26 0.00 0.00 0.00 0.00 54.91 54.87 3hb4 h ALA 19 Cb 0.30 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3hb4 h ALA 19 CO 0.00 -0.62 -1.18 -0.39 0.00 0.00 0.00 179.25 177.06 3hb4 h VAL 20 N -0.19 1.55 -0.70 0.00 -1.51 -1.57 -1.64 116.25 112.20 3hb4 h VAL 20 Ca 0.17 -3.14 0.15 0.00 -1.23 0.00 0.00 66.70 62.65 3hb4 h VAL 20 Cb 0.45 2.91 -0.12 0.00 -2.13 0.00 0.00 31.29 32.41 3hb4 h VAL 20 CO -0.44 0.91 0.04 -0.09 -1.23 0.00 0.00 177.57 176.76 3hb4 h ARG 21 N 0.06 0.14 -0.20 5.19 9.65 -1.19 -2.31 114.38 125.72 3hb4 h ARG 21 Ca -0.10 -0.01 -0.19 0.00 -1.10 0.00 0.00 59.98 58.58 3hb4 h ARG 21 Cb 1.91 -0.03 0.01 0.00 -1.39 0.00 0.00 29.97 30.47 3hb4 h ARG 21 CO 0.18 0.09 -0.63 -0.07 2.80 0.00 0.00 179.97 182.35 3hb4 h LEU 22 N 0.14 0.89 0.00 3.80 3.38 -1.31 -2.66 115.31 119.56 3hb4 h LEU 22 Ca 0.38 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3hb4 h LEU 22 Cb 0.64 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3hb4 h LEU 22 CO -0.58 1.33 0.00 0.00 0.09 0.00 0.00 178.44 179.28 3hb4 n ALA 23 N -2.58 0.00 0.00 1.53 0.00 -0.62 -2.63 120.51 116.21 3hb4 n ALA 23 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3hb4 n ALA 23 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 3hb4 n ALA 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hb4 n SER 24 N 0.00 0.00 -4.13 0.00 2.88 -1.25 -4.64 113.62 106.48 3hb4 n SER 24 Ca 0.00 0.00 -0.50 0.00 -1.33 0.00 0.00 58.87 57.04 3hb4 n SER 24 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 3hb4 n SER 24 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3hb4 n ASP 25 N 3.94 0.55 -0.31 -3.46 2.03 -1.00 -4.83 116.55 113.46 3hb4 n ASP 25 Ca 0.00 0.47 0.30 0.00 0.52 0.00 0.00 54.79 56.07 3hb4 n ASP 25 Cb 0.00 -0.86 0.54 0.00 -0.72 0.00 0.00 41.12 40.08 3hb4 n ASP 25 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3hb4 n PRO 26 N 7.50 -0.05 0.24 -0.67 -0.04 -1.26 0.24 135.00 140.96 3hb4 n PRO 26 Ca 0.56 1.23 0.17 0.00 -0.04 0.00 0.00 63.50 65.42 3hb4 n PRO 26 Cb -0.01 -2.23 0.83 0.00 -0.04 0.00 0.00 33.50 32.05 3hb4 n PRO 26 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hb4 h SER 27 N 0.00 0.00 -4.17 3.54 4.64 -1.98 -3.46 113.55 112.12 3hb4 h SER 27 Ca 0.77 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.72 3hb4 h SER 27 Cb 2.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.18 3hb4 h SER 27 CO -0.66 0.00 -0.51 0.00 -0.87 0.00 0.00 176.83 174.79 3hb4 n GLN 28 N -2.70 -3.20 0.24 4.77 6.02 0.66 -4.92 117.38 118.25 3hb4 n GLN 28 Ca -0.01 0.77 0.14 0.00 -0.01 0.00 0.00 57.00 57.89 3hb4 n GLN 28 Cb 0.12 -5.50 0.38 0.00 1.02 0.00 0.00 30.24 26.26 3hb4 n GLN 28 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3hb4 h SER 29 N -0.64 0.00 -3.30 1.08 0.02 -1.88 -3.46 113.55 105.36 3hb4 h SER 29 Ca -0.44 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.84 3hb4 h SER 29 Cb 1.31 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.56 3hb4 h SER 29 CO 0.51 0.00 -0.79 -0.36 -1.14 0.00 0.00 176.83 175.05 3hb4 s PHE 30 N -3.38 2.78 -0.37 3.45 0.08 -1.26 -0.76 117.98 118.51 3hb4 s PHE 30 Ca 0.05 -0.88 -0.15 0.00 0.12 0.00 0.00 56.93 56.07 3hb4 s PHE 30 Cb 0.07 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.66 3hb4 s PHE 30 CO 0.61 -0.37 0.33 0.21 -0.10 0.00 0.00 175.22 175.91 3hb4 s LYS 31 N 0.61 3.32 -0.25 0.44 2.47 0.45 -4.74 119.74 122.04 3hb4 s LYS 31 Ca -0.08 -0.68 -0.09 0.00 -1.56 0.00 0.00 55.97 53.56 3hb4 s LYS 31 Cb -0.16 -3.88 -0.04 0.00 -1.46 0.00 0.00 37.83 32.29 3hb4 s LYS 31 CO 0.03 -0.62 0.13 0.08 0.16 0.00 0.00 175.35 175.13 3hb4 s VAL 32 N 1.89 4.88 -0.42 4.02 1.01 0.37 -1.30 120.40 130.86 3hb4 s VAL 32 Ca 0.09 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.90 3hb4 s VAL 32 Cb -0.17 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 32.93 3hb4 s VAL 32 CO 0.11 0.32 0.55 -0.31 0.00 0.00 0.00 175.10 175.77 3hb4 s TYR 33 N 1.44 3.12 -0.40 5.22 1.51 0.37 -0.98 117.35 127.63 3hb4 s TYR 33 Ca 0.06 -0.12 -0.16 0.00 -1.01 0.00 0.00 57.07 55.84 3hb4 s TYR 33 Cb -0.15 -3.11 0.02 0.00 -0.11 0.00 0.00 41.96 38.61 3hb4 s TYR 33 CO 0.06 -0.75 0.36 0.00 -1.11 0.00 0.00 175.55 174.12 3hb4 s ALA 34 N 2.50 3.46 0.12 3.71 0.00 -0.12 -1.47 121.76 129.96 3hb4 s ALA 34 Ca 0.18 -1.56 -0.10 0.00 0.00 0.00 0.00 51.96 50.48 3hb4 s ALA 34 Cb -0.15 -2.94 -0.06 0.00 0.00 0.00 0.00 23.12 19.96 3hb4 s ALA 34 CO 0.16 -1.45 0.45 0.95 0.00 0.00 0.00 175.76 175.87 3hb4 s THR 35 N 1.91 5.03 0.00 0.00 -4.23 -0.07 -2.23 115.64 116.06 3hb4 s THR 35 Ca 0.09 0.48 -0.02 0.00 -1.18 0.00 0.00 61.69 61.06 3hb4 s THR 35 Cb -0.18 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.00 3hb4 s THR 35 CO 0.12 0.20 0.03 -0.76 -0.54 0.00 0.00 174.62 173.66 3hb4 s LEU 36 N -2.14 1.97 0.08 4.79 1.02 -0.08 -1.48 118.68 122.84 3hb4 s LEU 36 Ca 0.37 -0.22 -0.27 0.00 0.02 0.00 0.00 54.13 54.03 3hb4 s LEU 36 Cb -0.14 0.21 -0.16 0.00 0.02 0.00 0.00 46.19 46.12 3hb4 s LEU 36 CO 0.20 -0.20 1.69 -0.09 0.02 0.00 0.00 176.35 177.97 3hb4 h ARG 37 N 5.17 -0.38 -5.12 1.70 2.43 -1.85 -0.55 114.38 115.78 3hb4 h ARG 37 Ca -0.29 0.03 -0.67 0.00 -0.81 0.00 0.00 59.98 58.24 3hb4 h ARG 37 Cb 1.21 0.09 -0.33 0.00 -0.42 0.00 0.00 29.97 30.51 3hb4 h ARG 37 CO 0.44 -0.25 -0.83 -0.51 -1.51 0.00 0.00 179.97 177.30 3hb4 s ASP 38 N -4.85 3.38 0.55 -3.80 1.01 -1.26 -4.51 116.67 107.19 3hb4 s ASP 38 Ca -0.15 -0.57 0.31 0.00 0.71 0.00 0.00 52.55 52.85 3hb4 s ASP 38 Cb 0.05 -1.52 1.62 0.00 1.01 0.00 0.00 42.92 44.08 3hb4 s ASP 38 CO 0.64 0.04 2.12 -0.07 0.21 0.00 0.00 175.17 178.12 3hb4 h LEU 39 N 7.66 0.00 -0.77 1.23 3.38 -1.96 -0.46 115.31 124.39 3hb4 h LEU 39 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3hb4 h LEU 39 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3hb4 h LEU 39 CO 0.60 0.08 0.00 2.29 0.09 0.00 0.00 178.44 181.50 3hb4 n LYS 40 N -3.53 0.10 -0.11 1.13 2.85 -1.26 -1.39 118.16 115.94 3hb4 n LYS 40 Ca -0.02 0.52 0.12 0.00 -1.05 0.00 0.00 58.31 57.88 3hb4 n LYS 40 Cb 0.20 -1.77 0.19 0.00 -0.65 0.00 0.00 35.03 33.00 3hb4 n LYS 40 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3hb4 n THR 41 N -1.97 0.29 1.04 0.58 -2.24 -0.18 -4.47 114.28 107.33 3hb4 n THR 41 Ca 0.00 -0.62 0.11 0.00 -2.27 0.00 0.00 64.05 61.27 3hb4 n THR 41 Cb 0.07 1.12 0.57 0.00 -2.10 0.00 0.00 70.33 69.99 3hb4 n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hb4 n GLN 42 N 1.35 0.27 0.09 -0.78 10.64 -0.49 -4.18 117.38 124.28 3hb4 n GLN 42 Ca 0.17 0.07 -0.15 0.00 -1.83 0.00 0.00 57.00 55.27 3hb4 n GLN 42 Cb 0.58 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.38 3hb4 n GLN 42 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 3hb4 h GLY 43 N 3.87 -0.95 0.37 2.61 0.00 -1.80 -2.34 103.07 104.82 3hb4 h GLY 43 Ca 0.00 0.57 0.13 0.00 0.00 0.00 0.00 47.33 48.03 3hb4 h GLY 43 CO 0.00 -0.26 0.52 3.21 0.00 0.00 0.00 176.54 180.01 3hb4 h ARG 44 N -0.66 0.76 -0.88 4.80 3.08 -1.87 0.31 114.38 119.92 3hb4 h ARG 44 Ca 0.02 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.07 3hb4 h ARG 44 Cb 0.70 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.53 3hb4 h ARG 44 CO -0.30 0.51 0.56 1.25 -1.07 0.00 0.00 179.97 180.92 3hb4 h LEU 45 N 0.79 0.91 -0.20 3.04 5.85 -1.76 -1.72 115.31 122.21 3hb4 h LEU 45 Ca 0.46 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.98 3hb4 h LEU 45 Cb 0.54 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3hb4 h LEU 45 CO -0.30 0.60 -0.94 -0.50 -0.34 0.00 0.00 178.44 176.97 3hb4 h TRP 46 N 1.05 0.32 0.00 1.25 4.06 -0.89 -1.39 115.95 120.36 3hb4 h TRP 46 Ca 0.36 -0.19 0.00 0.00 2.06 0.00 0.00 58.89 61.12 3hb4 h TRP 46 Cb 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 3hb4 h TRP 46 CO -0.02 1.03 0.00 -1.91 -3.56 0.00 0.00 178.44 173.98 3hb4 n GLU 47 N -3.63 0.00 -0.23 0.49 2.13 0.10 -2.29 120.64 117.22 3hb4 n GLU 47 Ca -0.04 0.11 0.22 0.00 0.66 0.00 0.00 57.16 58.11 3hb4 n GLU 47 Cb 0.84 -0.96 0.41 0.00 0.27 0.00 0.00 31.44 32.00 3hb4 n GLU 47 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hb4 n ALA 48 N -0.79 0.72 -0.22 4.31 0.00 -0.66 0.24 120.51 124.10 3hb4 n ALA 48 Ca 0.00 0.68 -0.03 0.00 0.00 0.00 0.00 53.44 54.09 3hb4 n ALA 48 Cb 0.00 -0.69 0.07 0.00 0.00 0.00 0.00 19.45 18.83 3hb4 n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hb4 h ALA 49 N 1.33 0.85 0.01 0.00 0.00 -1.16 -2.34 119.26 117.94 3hb4 h ALA 49 Ca 0.58 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.48 3hb4 h ALA 49 Cb 1.56 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3hb4 h ALA 49 CO -0.50 0.11 -0.01 -0.09 0.00 0.00 0.00 179.25 178.76 3hb4 h ARG 50 N 0.74 -0.02 -0.64 0.00 9.65 0.35 -0.09 114.38 124.37 3hb4 h ARG 50 Ca 0.27 0.00 0.13 0.00 -1.10 0.00 0.00 59.98 59.28 3hb4 h ARG 50 Cb 0.08 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 28.56 3hb4 h ARG 50 CO -0.13 0.10 0.06 0.00 2.80 0.00 0.00 179.97 182.80 3hb4 h ALA 51 N 0.85 0.70 -0.37 2.80 0.00 -1.18 0.18 119.26 122.24 3hb4 h ALA 51 Ca -0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hb4 h ALA 51 Cb 0.12 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3hb4 h ALA 51 CO 0.00 -0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.16 3hb4 n LEU 52 N -5.23 3.58 -3.14 0.00 4.77 -0.90 -4.97 117.00 111.10 3hb4 n LEU 52 Ca 0.10 -1.81 -0.15 0.00 -0.03 0.00 0.00 56.01 54.12 3hb4 n LEU 52 Cb 0.37 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3hb4 n LEU 52 CO 0.12 0.50 -0.15 0.00 -1.33 0.00 0.00 177.39 176.53 3hb4 n ALA 53 N 0.47 -2.00 -1.86 -1.18 0.00 0.62 -4.78 120.51 111.77 3hb4 n ALA 53 Ca 0.16 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 3hb4 n ALA 53 Cb 0.74 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 3hb4 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hb4 n PRO 55 N 1.66 2.29 -0.63 0.00 -0.02 -1.26 -4.89 135.00 132.14 3hb4 n PRO 55 Ca 0.03 0.80 -0.25 0.00 -2.02 0.00 0.00 63.50 62.06 3hb4 n PRO 55 Cb 0.42 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 3hb4 n PRO 55 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3hb4 n PRO 56 N 0.52 0.00 -0.16 0.52 -0.02 -1.26 -2.33 135.00 132.28 3hb4 n PRO 56 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3hb4 n PRO 56 Cb 0.37 -0.62 0.00 0.00 -0.02 0.00 0.00 33.50 33.23 3hb4 n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hb4 n GLY 57 N 0.65 2.58 0.17 -1.23 0.00 -1.26 -4.85 105.19 101.24 3hb4 n GLY 57 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 3hb4 n GLY 57 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hb4 h SER 58 N 0.00 0.14 -3.26 1.61 4.64 -1.75 -3.45 113.55 111.49 3hb4 h SER 58 Ca 0.00 -0.07 -0.54 0.00 -0.47 0.00 0.00 61.79 60.71 3hb4 h SER 58 Cb 0.00 -0.04 -0.40 0.00 -0.31 0.00 0.00 62.40 61.65 3hb4 h SER 58 CO 0.00 0.65 -0.76 -0.22 -0.87 0.00 0.00 176.83 175.62 3hb4 s LEU 59 N -7.94 1.47 -0.22 5.97 2.96 -1.26 -0.48 118.68 119.17 3hb4 s LEU 59 Ca -0.03 -1.03 -0.10 0.00 -0.22 0.00 0.00 54.13 52.75 3hb4 s LEU 59 Cb 0.13 -0.69 -0.05 0.00 0.50 0.00 0.00 46.19 46.08 3hb4 s LEU 59 CO 0.77 -0.33 0.15 -1.61 -1.32 0.00 0.00 176.35 174.01 3hb4 s GLU 60 N 1.78 4.11 0.15 1.98 2.02 -0.15 -5.01 118.70 123.58 3hb4 s GLU 60 Ca 0.01 -0.25 -0.14 0.00 0.02 0.00 0.00 54.97 54.60 3hb4 s GLU 60 Cb -0.17 -3.49 -0.07 0.00 0.10 0.00 0.00 34.13 30.50 3hb4 s GLU 60 CO -0.12 0.15 0.55 0.95 0.02 0.00 0.00 175.26 176.81 3hb4 s THR 61 N 0.79 4.85 0.06 3.63 -4.23 -1.26 -0.95 115.64 118.52 3hb4 s THR 61 Ca 0.08 0.84 0.05 0.00 -1.18 0.00 0.00 61.69 61.48 3hb4 s THR 61 Cb -0.13 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 69.95 3hb4 s THR 61 CO 0.02 0.25 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.45 3hb4 s LEU 62 N -1.95 2.23 0.09 4.79 1.43 -0.95 -4.93 118.68 119.40 3hb4 s LEU 62 Ca 0.38 -0.55 -0.24 0.00 -1.03 0.00 0.00 54.13 52.69 3hb4 s LEU 62 Cb -0.15 -0.55 -0.07 0.00 0.03 0.00 0.00 46.19 45.45 3hb4 s LEU 62 CO 0.19 -0.03 0.73 -1.58 0.23 0.00 0.00 176.35 175.89 3hb4 s GLN 63 N -1.47 4.47 -0.25 1.70 0.74 -1.26 -0.90 119.66 122.68 3hb4 s GLN 63 Ca -0.00 1.03 -0.05 0.00 0.05 0.00 0.00 55.36 56.38 3hb4 s GLN 63 Cb -0.09 -3.31 0.13 0.00 1.10 0.00 0.00 33.01 30.84 3hb4 s GLN 63 CO 0.02 0.45 0.49 -1.17 -0.55 0.00 0.00 175.29 174.53 3hb4 s LEU 64 N -0.61 -0.90 -0.40 3.68 0.20 -0.21 -4.67 118.68 115.77 3hb4 s LEU 64 Ca 0.35 0.89 -0.15 0.00 0.69 0.00 0.00 54.13 55.92 3hb4 s LEU 64 Cb -0.21 1.65 0.01 0.00 -0.43 0.00 0.00 46.19 47.22 3hb4 s LEU 64 CO 0.23 -0.25 0.29 -0.62 -0.29 0.00 0.00 176.35 175.71 3hb4 s ASP 65 N 2.70 6.09 0.00 3.68 2.15 -1.26 -3.01 116.67 127.03 3hb4 s ASP 65 Ca 0.06 -0.82 0.12 0.00 0.43 0.00 0.00 52.55 52.34 3hb4 s ASP 65 Cb -0.14 -2.15 0.54 0.00 -0.30 0.00 0.00 42.92 40.87 3hb4 s ASP 65 CO -0.16 -0.41 1.37 1.33 -0.17 0.00 0.00 175.17 177.12 3hb4 n VAL 66 N 5.15 1.06 1.72 1.11 0.24 -1.26 -1.60 118.33 124.76 3hb4 n VAL 66 Ca -0.11 0.27 0.14 0.00 -2.04 0.00 0.00 64.34 62.59 3hb4 n VAL 66 Cb 0.47 -1.06 0.68 0.00 -1.47 0.00 0.00 33.84 32.46 3hb4 n VAL 66 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3hb4 n ARG 67 N -1.45 1.33 -3.65 7.34 1.74 -1.26 -4.00 116.66 116.71 3hb4 n ARG 67 Ca 0.04 -0.48 -0.29 0.00 -0.77 0.00 0.00 57.85 56.34 3hb4 n ARG 67 Cb 0.13 -1.45 -0.15 0.00 -1.02 0.00 0.00 32.46 29.96 3hb4 n ARG 67 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hb4 s ASP 68 N -1.90 3.50 0.55 0.55 2.15 -0.62 -5.03 116.67 115.87 3hb4 s ASP 68 Ca 0.40 -1.27 0.25 0.00 0.43 0.00 0.00 52.55 52.37 3hb4 s ASP 68 Cb 0.20 -0.57 1.59 0.00 -0.30 0.00 0.00 42.92 43.84 3hb4 s ASP 68 CO 0.33 -0.40 2.19 0.77 -0.17 0.00 0.00 175.17 177.88 3hb4 h SER 69 N 8.27 0.00 -0.63 -0.34 4.64 -1.84 -1.92 113.55 121.72 3hb4 h SER 69 Ca -0.17 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.07 3hb4 h SER 69 Cb 1.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 3hb4 h SER 69 CO 0.42 0.04 0.05 0.11 -0.87 0.00 0.00 176.83 176.57 3hb4 h LYS 70 N 0.00 1.08 -0.66 4.77 1.57 -1.95 -1.40 116.57 119.98 3hb4 h LYS 70 Ca -0.00 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.40 3hb4 h LYS 70 Cb 0.08 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3hb4 h LYS 70 CO 0.00 1.02 0.16 1.03 -0.57 0.00 0.00 179.45 181.10 3hb4 h SER 71 N 1.00 0.99 -0.46 0.86 0.87 -1.66 -1.58 113.55 113.58 3hb4 h SER 71 Ca 0.19 -0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3hb4 h SER 71 Cb 0.50 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 3hb4 h SER 71 CO 0.02 0.96 0.30 0.58 -0.53 0.00 0.00 176.83 178.16 3hb4 h VAL 72 N 1.00 1.11 -0.40 2.23 2.07 -1.18 -1.59 116.25 119.48 3hb4 h VAL 72 Ca 0.21 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3hb4 h VAL 72 Cb 0.36 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3hb4 h VAL 72 CO 0.00 0.11 0.24 0.00 0.02 0.00 0.00 177.57 177.94 3hb4 h ALA 73 N 1.17 0.51 -0.14 1.67 0.00 -1.20 -0.66 119.26 120.62 3hb4 h ALA 73 Ca 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3hb4 h ALA 73 Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hb4 h ALA 73 CO -0.04 -0.09 -0.17 0.00 0.00 0.00 0.00 179.25 178.95 3hb4 h ALA 74 N 1.18 1.46 0.05 0.00 0.00 -1.21 0.28 119.26 121.02 3hb4 h ALA 74 Ca 0.16 -0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 3hb4 h ALA 74 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hb4 h ALA 74 CO -0.07 0.38 -1.04 0.00 0.00 0.00 0.00 179.25 178.52 3hb4 h ALA 75 N 1.62 0.30 -0.36 0.00 0.00 -1.22 -3.07 119.26 116.53 3hb4 h ALA 75 Ca 0.04 -0.78 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 3hb4 h ALA 75 Cb 0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hb4 h ALA 75 CO 0.03 0.91 0.08 -0.09 0.00 0.00 0.00 179.25 180.17 3hb4 h ARG 76 N 0.14 0.59 -0.87 0.00 2.43 -0.64 -2.95 114.38 113.08 3hb4 h ARG 76 Ca -0.09 -0.15 0.16 0.00 -0.81 0.00 0.00 59.98 59.09 3hb4 h ARG 76 Cb 1.71 -0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 31.09 3hb4 h ARG 76 CO 0.17 0.64 0.46 1.05 -1.51 0.00 0.00 179.97 180.78 3hb4 h GLU 77 N 0.44 0.61 0.00 0.20 4.11 -0.53 -2.38 114.58 117.03 3hb4 h GLU 77 Ca 0.11 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.51 3hb4 h GLU 77 Cb 0.33 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hb4 h GLU 77 CO 0.00 0.40 0.00 0.54 0.07 0.00 0.00 179.01 180.02 3hb4 n ARG 78 N -4.87 0.83 -2.97 1.06 1.74 -1.11 -4.51 116.66 106.82 3hb4 n ARG 78 Ca 0.18 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.82 3hb4 n ARG 78 Cb 0.47 -1.05 -0.02 0.00 -1.02 0.00 0.00 32.46 30.84 3hb4 n ARG 78 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hb4 s VAL 79 N -2.00 4.88 0.21 1.55 1.01 -0.90 -4.93 120.40 120.22 3hb4 s VAL 79 Ca 0.04 -1.86 -0.11 0.00 0.00 0.00 0.00 61.98 60.06 3hb4 s VAL 79 Cb 0.02 -4.77 0.15 0.00 0.00 0.00 0.00 36.38 31.78 3hb4 s VAL 79 CO 0.03 -1.48 1.71 0.71 0.00 0.00 0.00 175.10 176.07 3hb4 h THR 80 N 5.51 0.65 0.00 3.92 1.35 -1.88 -0.58 112.91 121.88 3hb4 h THR 80 Ca 0.18 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 3hb4 h THR 80 Cb 1.00 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 3hb4 h THR 80 CO 1.10 0.05 0.15 -0.33 -0.25 0.00 0.00 175.52 176.23 3hb4 h GLU 81 N 0.25 0.00 -1.28 4.72 3.07 -1.96 -3.45 114.58 115.92 3hb4 h GLU 81 Ca 0.30 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.91 3hb4 h GLU 81 Cb 0.44 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.30 3hb4 h GLU 81 CO -0.39 0.00 -0.29 0.41 -1.40 0.00 0.00 179.01 177.34 3hb4 n GLY 82 N -1.25 0.51 3.41 -3.84 0.00 -0.23 -5.00 105.19 98.79 3hb4 n GLY 82 Ca -0.02 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 3hb4 n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hb4 s ARG 83 N -3.95 1.24 -0.12 1.61 1.70 -1.26 -5.15 118.95 113.02 3hb4 s ARG 83 Ca 0.00 -0.45 0.01 0.00 -0.47 0.00 0.00 55.73 54.82 3hb4 s ARG 83 Cb 0.00 0.57 0.02 0.00 -0.57 0.00 0.00 34.95 34.97 3hb4 s ARG 83 CO 0.00 -0.53 -0.15 0.08 -1.08 0.00 0.00 175.30 173.62 3hb4 s VAL 84 N -3.59 1.54 -0.05 4.99 1.01 -1.26 -4.87 120.40 118.17 3hb4 s VAL 84 Ca 0.00 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.42 3hb4 s VAL 84 Cb -0.01 -1.42 -0.24 0.00 0.00 0.00 0.00 36.38 34.72 3hb4 s VAL 84 CO -0.11 0.45 0.62 0.44 0.00 0.00 0.00 175.10 176.50 3hb4 h ASP 85 N 7.60 0.09 -3.26 3.32 3.32 -1.18 -3.45 116.42 122.85 3hb4 h ASP 85 Ca -0.33 -0.19 -0.55 0.00 0.02 0.00 0.00 57.03 55.98 3hb4 h ASP 85 Cb 1.16 -0.03 -0.40 0.00 0.22 0.00 0.00 39.33 40.29 3hb4 h ASP 85 CO 0.50 1.17 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.74 3hb4 s VAL 86 N -2.59 0.72 -0.20 -1.35 1.01 -0.64 -0.97 120.40 116.38 3hb4 s VAL 86 Ca -0.08 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 3hb4 s VAL 86 Cb 0.08 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 3hb4 s VAL 86 CO 0.82 -0.35 0.42 -0.22 0.00 0.00 0.00 175.10 175.77 3hb4 s LEU 87 N 1.75 4.16 -0.27 3.92 2.96 0.44 -1.51 118.68 130.13 3hb4 s LEU 87 Ca 0.02 0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 54.46 3hb4 s LEU 87 Cb -0.17 -2.56 0.03 0.00 0.50 0.00 0.00 46.19 43.99 3hb4 s LEU 87 CO -0.14 -0.09 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.09 3hb4 s VAL 88 N 1.32 3.10 -0.50 1.68 1.01 0.44 -0.38 120.40 127.06 3hb4 s VAL 88 Ca 0.20 -1.08 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 3hb4 s VAL 88 Cb -0.15 -2.64 0.07 0.00 0.00 0.00 0.00 36.38 33.67 3hb4 s VAL 88 CO 0.08 0.09 0.54 0.00 0.00 0.00 0.00 175.10 175.81 3hb4 n ASN 90 N 5.76 2.34 -4.74 0.00 5.15 -1.25 -1.48 115.26 121.04 3hb4 n ASN 90 Ca -0.10 -0.03 -0.42 0.00 -0.60 0.00 0.00 54.58 53.44 3hb4 n ASN 90 Cb 0.44 0.53 -0.02 0.00 -0.53 0.00 0.00 39.78 40.20 3hb4 n ASN 90 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hb4 s ALA 91 N -1.00 3.83 0.05 5.20 0.00 -1.20 -4.80 121.76 123.83 3hb4 s ALA 91 Ca 0.00 1.57 -0.26 0.00 0.00 0.00 0.00 51.96 53.27 3hb4 s ALA 91 Cb 0.00 -3.67 0.06 0.00 0.00 0.00 0.00 23.12 19.52 3hb4 s ALA 91 CO 0.00 -0.95 0.61 0.20 0.00 0.00 0.00 175.76 175.62 3hb4 s GLY 92 N 0.79 -0.55 0.07 0.00 0.00 -1.26 -4.73 107.32 101.63 3hb4 s GLY 92 Ca 0.68 0.85 0.08 0.00 0.00 0.00 0.00 44.72 46.33 3hb4 s GLY 92 CO 0.41 0.51 -0.23 1.08 0.00 0.00 0.00 173.10 174.87 3hb4 s LEU 93 N -1.91 2.21 0.27 0.66 1.02 -1.26 -5.03 118.68 114.64 3hb4 s LEU 93 Ca -0.06 -0.60 0.04 0.00 0.02 0.00 0.00 54.13 53.53 3hb4 s LEU 93 Cb -0.01 -1.07 -0.03 0.00 0.02 0.00 0.00 46.19 45.10 3hb4 s LEU 93 CO -0.01 0.17 0.41 -0.83 0.02 0.00 0.00 176.35 176.12 3hb4 s GLY 94 N -1.45 1.25 -0.27 -3.19 0.00 -1.26 -4.96 107.32 97.44 3hb4 s GLY 94 Ca 0.09 -1.14 -0.11 0.00 0.00 0.00 0.00 44.72 43.56 3hb4 s GLY 94 CO 0.03 -1.14 0.61 -2.27 0.00 0.00 0.00 173.10 170.33 3hb4 s LEU 95 N -4.08 -0.93 -0.05 0.66 2.96 -1.26 -4.85 118.68 111.13 3hb4 s LEU 95 Ca 0.36 1.42 0.01 0.00 -0.22 0.00 0.00 54.13 55.70 3hb4 s LEU 95 Cb -0.09 2.12 0.02 0.00 0.50 0.00 0.00 46.19 48.73 3hb4 s LEU 95 CO 0.31 -0.23 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.83 3hb4 s LEU 96 N 2.37 1.44 0.00 -0.68 2.96 -0.62 -4.07 118.68 120.09 3hb4 s LEU 96 Ca -0.07 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 3hb4 s LEU 96 Cb -0.10 -0.54 0.00 0.00 0.50 0.00 0.00 46.19 46.06 3hb4 s LEU 96 CO -0.18 -0.03 0.00 0.61 -1.32 0.00 0.00 176.35 175.44 3hb4 n GLY 97 N 3.93 2.53 3.73 7.98 0.00 -0.66 -4.37 105.19 118.33 3hb4 n GLY 97 Ca -0.25 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 3hb4 n GLY 97 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hb4 n PRO 98 N -1.44 2.47 -0.09 1.61 -0.02 -1.26 -4.60 135.00 131.67 3hb4 n PRO 98 Ca 0.00 0.87 -0.06 0.00 -2.02 0.00 0.00 63.50 62.29 3hb4 n PRO 98 Cb 0.00 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 3hb4 n PRO 98 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hb4 h LEU 99 N 3.95 -0.52 -0.86 2.45 5.85 -1.97 0.39 115.31 124.60 3hb4 h LEU 99 Ca -0.47 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3hb4 h LEU 99 Cb 1.25 0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.57 3hb4 h LEU 99 CO 0.73 -0.19 0.00 -1.84 -0.34 0.00 0.00 178.44 176.80 3hb4 n GLU 100 N -5.33 0.11 0.00 1.25 0.00 -1.26 -1.51 120.64 113.90 3hb4 n GLU 100 Ca 0.01 0.53 0.13 0.00 0.00 0.00 0.00 57.16 57.83 3hb4 n GLU 100 Cb 0.24 -1.81 0.37 0.00 0.00 0.00 0.00 31.44 30.25 3hb4 n GLU 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3hb4 n ALA 101 N -1.70 3.18 -2.52 -1.84 0.00 0.12 -4.89 120.51 112.87 3hb4 n ALA 101 Ca 0.00 -0.34 -0.39 0.00 0.00 0.00 0.00 53.44 52.71 3hb4 n ALA 101 Cb 0.08 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 3hb4 n ALA 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hb4 s LEU 102 N -2.75 4.40 0.42 0.00 1.43 -0.57 -4.97 118.68 116.64 3hb4 s LEU 102 Ca 0.18 1.14 -0.24 0.00 -1.03 0.00 0.00 54.13 54.18 3hb4 s LEU 102 Cb 0.19 -2.92 -0.08 0.00 0.03 0.00 0.00 46.19 43.40 3hb4 s LEU 102 CO 0.59 0.08 1.14 -0.83 0.23 0.00 0.00 176.35 177.56 3hb4 s GLY 103 N -0.06 2.81 0.35 -3.19 0.00 -1.26 -4.87 107.32 101.09 3hb4 s GLY 103 Ca 0.31 0.89 0.04 0.00 0.00 0.00 0.00 44.72 45.96 3hb4 s GLY 103 CO 0.17 1.37 1.94 -2.09 0.00 0.00 0.00 173.10 174.48 3hb4 h GLU 104 N 2.44 0.62 -0.69 2.90 4.81 -1.97 0.14 114.58 122.82 3hb4 h GLU 104 Ca -0.49 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 58.59 3hb4 h GLU 104 Cb 1.23 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 3hb4 h GLU 104 CO 0.62 0.53 0.20 -0.44 -0.73 0.00 0.00 179.01 179.19 3hb4 h ASP 105 N 0.61 1.01 -0.32 1.04 3.45 -1.99 -0.70 116.42 119.54 3hb4 h ASP 105 Ca 0.15 -0.19 -0.15 0.00 0.43 0.00 0.00 57.03 57.26 3hb4 h ASP 105 Cb 0.16 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 3hb4 h ASP 105 CO -0.01 0.95 -0.38 0.00 -1.57 0.00 0.00 179.24 178.23 3hb4 h ALA 106 N 1.18 0.64 0.12 3.45 0.00 -1.63 0.15 119.26 123.17 3hb4 h ALA 106 Ca 0.22 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3hb4 h ALA 106 Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hb4 h ALA 106 CO -0.00 0.67 -0.06 0.28 0.00 0.00 0.00 179.25 180.14 3hb4 h VAL 107 N 0.71 0.90 -0.64 0.00 2.07 -0.54 -2.80 116.25 115.96 3hb4 h VAL 107 Ca 0.06 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.61 3hb4 h VAL 107 Cb 0.95 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 3hb4 h VAL 107 CO 0.09 0.01 0.33 0.00 0.02 0.00 0.00 177.57 178.02 3hb4 h ALA 108 N 0.71 0.85 -0.35 1.67 0.00 -1.03 -2.91 119.26 118.21 3hb4 h ALA 108 Ca -0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hb4 h ALA 108 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hb4 h ALA 108 CO 0.03 -0.01 0.17 0.77 0.00 0.00 0.00 179.25 180.21 3hb4 h SER 109 N 0.61 0.45 -0.32 0.00 0.02 -0.64 0.07 113.55 113.74 3hb4 h SER 109 Ca 0.29 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 3hb4 h SER 109 Cb 0.22 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 3hb4 h SER 109 CO -0.20 0.43 0.11 0.58 -1.14 0.00 0.00 176.83 176.61 3hb4 h VAL 110 N 0.43 0.91 -0.51 2.27 2.07 -1.35 -0.21 116.25 119.86 3hb4 h VAL 110 Ca 0.12 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 3hb4 h VAL 110 Cb 0.10 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3hb4 h VAL 110 CO -0.02 0.04 0.11 -0.07 0.02 0.00 0.00 177.57 177.66 3hb4 h LEU 111 N 0.24 0.78 -0.47 2.57 3.38 -1.31 0.43 115.31 120.94 3hb4 h LEU 111 Ca 0.14 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.94 3hb4 h LEU 111 Cb 0.12 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 3hb4 h LEU 111 CO -0.15 0.82 0.11 -0.78 0.09 0.00 0.00 178.44 178.53 3hb4 h ASP 112 N 0.70 0.05 0.03 -0.43 3.58 -0.63 0.09 116.42 119.81 3hb4 h ASP 112 Ca 0.16 0.08 -0.11 0.00 0.42 0.00 0.00 57.03 57.57 3hb4 h ASP 112 Cb 0.35 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 3hb4 h ASP 112 CO 0.00 0.06 -0.59 0.58 -2.88 0.00 0.00 179.24 176.41 3hb4 h VAL 113 N 0.25 1.45 0.01 2.25 2.07 -0.86 0.89 116.25 122.32 3hb4 h VAL 113 Ca 0.23 -2.34 -0.20 0.00 0.82 0.00 0.00 66.70 65.21 3hb4 h VAL 113 Cb 0.28 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 3hb4 h VAL 113 CO -0.28 0.56 -0.92 0.78 0.02 0.00 0.00 177.57 177.73 3hb4 h ASN 114 N -0.83 0.14 0.00 0.57 2.35 -0.10 -3.18 115.58 114.53 3hb4 h ASN 114 Ca -0.14 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 3hb4 h ASN 114 Cb 1.25 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.58 3hb4 h ASN 114 CO -0.03 0.98 -0.57 0.52 -1.65 0.00 0.00 177.43 176.69 3hb4 n VAL 115 N -3.56 1.28 -0.06 2.81 0.31 -0.06 -4.27 118.33 114.78 3hb4 n VAL 115 Ca -0.02 0.25 -0.10 0.00 -0.01 0.00 0.00 64.34 64.46 3hb4 n VAL 115 Cb 0.85 -2.00 -0.03 0.00 -0.91 0.00 0.00 33.84 31.75 3hb4 n VAL 115 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3hb4 h VAL 116 N -0.57 1.09 -0.79 2.52 2.07 -1.26 0.34 116.25 119.65 3hb4 h VAL 116 Ca 0.00 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.37 3hb4 h VAL 116 Cb 0.57 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 3hb4 h VAL 116 CO 0.00 0.09 0.52 1.23 0.02 0.00 0.00 177.57 179.43 3hb4 h GLY 117 N 0.29 1.09 1.02 2.17 0.00 0.84 0.23 103.07 108.71 3hb4 h GLY 117 Ca 0.09 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 3hb4 h GLY 117 CO -0.02 0.23 0.15 -0.84 0.00 0.00 0.00 176.54 176.07 3hb4 h THR 118 N 0.83 1.25 -0.08 4.70 2.02 -1.46 -1.62 112.91 118.54 3hb4 h THR 118 Ca 0.35 -0.90 0.03 0.00 0.77 0.00 0.00 66.41 66.66 3hb4 h THR 118 Cb 0.29 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 3hb4 h THR 118 CO -0.13 0.34 -0.15 0.58 0.37 0.00 0.00 175.52 176.53 3hb4 h VAL 119 N 0.88 0.61 -0.77 3.16 2.07 0.48 -1.65 116.25 121.04 3hb4 h VAL 119 Ca 0.19 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.83 3hb4 h VAL 119 Cb 0.35 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 3hb4 h VAL 119 CO 0.00 0.00 0.37 0.03 0.02 0.00 0.00 177.57 177.99 3hb4 h ARG 120 N -0.21 0.57 -0.45 1.57 3.08 -0.43 0.65 114.38 119.17 3hb4 h ARG 120 Ca 0.08 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.12 3hb4 h ARG 120 Cb 0.32 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3hb4 h ARG 120 CO -0.20 0.37 0.25 0.52 -1.07 0.00 0.00 179.97 179.84 3hb4 h MET 121 N 0.58 0.48 -0.47 0.04 2.86 -0.95 -1.94 114.93 115.54 3hb4 h MET 121 Ca 0.40 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.90 3hb4 h MET 121 Cb 0.51 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 3hb4 h MET 121 CO -0.32 0.32 -0.15 -0.07 1.06 0.00 0.00 176.91 177.74 3hb4 h LEU 122 N 0.50 0.90 -0.49 1.22 3.38 -0.48 -1.08 115.31 119.26 3hb4 h LEU 122 Ca 0.18 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3hb4 h LEU 122 Cb 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3hb4 h LEU 122 CO -0.10 1.04 0.20 1.56 0.09 0.00 0.00 178.44 181.23 3hb4 h GLN 123 N 0.79 0.72 0.00 1.13 4.20 -0.85 0.31 115.11 121.42 3hb4 h GLN 123 Ca 0.12 -0.13 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 3hb4 h GLN 123 Cb 0.68 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 3hb4 h GLN 123 CO 0.05 0.64 -0.56 0.00 -0.67 0.00 0.00 178.83 178.29 3hb4 h ALA 124 N 1.05 1.03 0.00 3.87 0.00 -1.13 -3.38 119.26 120.69 3hb4 h ALA 124 Ca 0.16 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 3hb4 h ALA 124 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hb4 h ALA 124 CO -0.01 0.70 -1.52 1.19 0.00 0.00 0.00 179.25 179.60 3hb4 n PHE 125 N -3.81 0.00 -0.18 0.00 3.72 -0.43 -4.69 117.46 112.08 3hb4 n PHE 125 Ca -0.01 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.29 3hb4 n PHE 125 Cb 0.58 -0.37 0.01 0.00 -0.94 0.00 0.00 39.48 38.76 3hb4 n PHE 125 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hb4 h LEU 126 N 0.00 0.83 -0.71 4.37 3.38 -0.55 -3.21 115.31 119.42 3hb4 h LEU 126 Ca -0.19 -0.28 0.12 0.00 0.09 0.00 0.00 57.88 57.62 3hb4 h LEU 126 Cb 1.36 -0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.76 3hb4 h LEU 126 CO 0.01 0.91 -0.32 -0.65 0.09 0.00 0.00 178.44 178.47 3hb4 h PRO 127 N 0.73 -0.10 0.00 1.13 0.11 -1.77 -1.01 132.00 131.09 3hb4 h PRO 127 Ca 0.15 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 3hb4 h PRO 127 Cb 0.45 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3hb4 h PRO 127 CO 0.02 -0.06 -0.20 0.22 -0.21 0.00 0.00 178.00 177.76 3hb4 h ASP 128 N -0.10 0.00 0.20 -2.05 1.82 -1.87 -2.00 116.42 112.41 3hb4 h ASP 128 Ca 0.28 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.71 3hb4 h ASP 128 Cb 0.56 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.58 3hb4 h ASP 128 CO -0.77 0.20 -0.82 0.24 -1.61 0.00 0.00 179.24 176.49 3hb4 h MET 129 N 0.00 0.49 -0.29 0.28 2.86 -1.25 -2.35 114.93 114.67 3hb4 h MET 129 Ca -0.00 -0.44 -0.15 0.00 -2.06 0.00 0.00 59.70 57.05 3hb4 h MET 129 Cb 0.70 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 3hb4 h MET 129 CO 0.03 1.08 -0.41 0.87 1.06 0.00 0.00 176.91 179.53 3hb4 h LYS 130 N 0.32 0.72 -0.32 1.72 1.57 -0.95 -1.62 116.57 118.01 3hb4 h LYS 130 Ca -0.05 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 3hb4 h LYS 130 Cb 1.43 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 3hb4 h LYS 130 CO 0.15 1.00 0.16 -0.09 -0.57 0.00 0.00 179.45 180.10 3hb4 h ARG 131 N 0.59 0.45 0.00 3.15 2.43 -1.35 -2.71 114.38 116.93 3hb4 h ARG 131 Ca 0.05 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hb4 h ARG 131 Cb 0.96 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3hb4 h ARG 131 CO 0.09 0.40 0.00 0.00 -1.51 0.00 0.00 179.97 178.95 3hb4 h ARG 132 N 0.38 0.00 -1.43 0.20 3.08 -1.35 -3.47 114.38 111.79 3hb4 h ARG 132 Ca 0.11 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.91 3hb4 h ARG 132 Cb 0.09 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3hb4 h ARG 132 CO -0.02 0.00 -0.30 0.41 -1.07 0.00 0.00 179.97 179.00 3hb4 n GLY 133 N -0.19 0.29 3.54 0.04 0.00 -0.65 -5.01 105.19 103.21 3hb4 n GLY 133 Ca -0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 3hb4 n GLY 133 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hb4 s SER 134 N -2.56 -0.39 0.00 1.61 1.04 -0.93 -4.54 113.70 107.93 3hb4 s SER 134 Ca 0.00 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.32 3hb4 s SER 134 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3hb4 s SER 134 CO 0.00 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.00 3hb4 n GLY 135 N -0.34 4.88 3.40 7.32 0.00 -1.25 -4.63 105.19 114.57 3hb4 n GLY 135 Ca -0.10 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 3hb4 n GLY 135 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hb4 s ARG 136 N -4.87 3.34 -0.20 1.61 1.81 -0.14 -0.49 118.95 120.02 3hb4 s ARG 136 Ca 0.00 -0.66 -0.03 0.00 -1.72 0.00 0.00 55.73 53.33 3hb4 s ARG 136 Cb 0.00 -2.65 -0.01 0.00 -0.45 0.00 0.00 34.95 31.84 3hb4 s ARG 136 CO 0.00 0.26 -0.07 0.08 -0.68 0.00 0.00 175.30 174.89 3hb4 s VAL 137 N 0.23 3.21 -0.07 3.52 1.01 0.20 -0.42 120.40 128.08 3hb4 s VAL 137 Ca -0.08 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3hb4 s VAL 137 Cb -0.15 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 3hb4 s VAL 137 CO 0.05 0.46 -0.13 -0.76 0.00 0.00 0.00 175.10 174.71 3hb4 s LEU 138 N 1.21 2.77 -0.09 3.92 1.43 0.48 -0.51 118.68 127.89 3hb4 s LEU 138 Ca 0.02 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 3hb4 s LEU 138 Cb -0.14 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.51 3hb4 s LEU 138 CO -0.02 0.30 -0.15 -0.69 0.23 0.00 0.00 176.35 176.01 3hb4 s VAL 139 N -0.43 1.44 -0.14 -1.59 1.01 0.33 -1.09 120.40 119.92 3hb4 s VAL 139 Ca 0.05 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 3hb4 s VAL 139 Cb -0.12 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 3hb4 s VAL 139 CO 0.02 0.43 1.96 -0.89 0.00 0.00 0.00 175.10 176.62 3hb4 s THR 140 N 0.77 3.22 0.49 3.92 2.01 -0.55 -0.67 115.64 124.83 3hb4 s THR 140 Ca -0.12 0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.17 3hb4 s THR 140 Cb -0.16 -3.22 0.04 0.00 0.01 0.00 0.00 72.50 69.17 3hb4 s THR 140 CO 0.02 -0.10 0.37 0.61 -0.69 0.00 0.00 174.62 174.84 3hb4 n GLY 141 N 5.06 2.77 3.14 4.40 0.00 0.18 -4.86 105.19 115.87 3hb4 n GLY 141 Ca 0.23 -2.29 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 3hb4 n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hb4 s SER 142 N -3.89 0.34 0.43 1.61 0.15 -1.26 -2.29 113.70 108.80 3hb4 s SER 142 Ca 0.28 -0.91 0.24 0.00 0.70 0.00 0.00 55.95 56.26 3hb4 s SER 142 Cb -0.02 0.26 0.57 0.00 -1.71 0.00 0.00 66.02 65.12 3hb4 s SER 142 CO 0.18 -0.66 1.68 0.58 1.20 0.00 0.00 173.24 176.22 3hb4 h VAL 143 N 2.97 0.24 0.00 4.45 2.07 -1.65 -2.29 116.25 122.04 3hb4 h VAL 143 Ca -0.34 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3hb4 h VAL 143 Cb 1.17 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 3hb4 h VAL 143 CO 0.62 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.94 3hb4 n GLY 144 N 0.79 -1.00 0.40 2.17 0.00 -1.26 -1.62 105.19 104.67 3hb4 n GLY 144 Ca 0.02 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 3hb4 n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hb4 n GLY 145 N -0.23 -0.21 0.00 -0.02 0.00 -0.86 -4.24 105.19 99.64 3hb4 n GLY 145 Ca 0.03 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.65 3hb4 n GLY 145 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hb4 n LEU 146 N -0.11 0.14 -3.62 0.99 4.77 -0.64 -3.69 117.00 114.84 3hb4 n LEU 146 Ca 0.16 -0.20 -0.15 0.00 -0.03 0.00 0.00 56.01 55.80 3hb4 n LEU 146 Cb 0.36 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 3hb4 n LEU 146 CO 0.20 0.03 0.39 0.00 -1.33 0.00 0.00 177.39 176.69 3hb4 s MET 147 N -2.22 0.85 0.32 3.23 0.23 -1.02 -5.02 119.30 115.67 3hb4 s MET 147 Ca -0.01 0.81 -0.26 0.00 -1.03 0.00 0.00 55.69 55.20 3hb4 s MET 147 Cb 0.05 0.41 -0.10 0.00 -1.53 0.00 0.00 34.83 33.67 3hb4 s MET 147 CO 0.32 -0.14 0.95 0.20 -2.03 0.00 0.00 175.02 174.31 3hb4 s GLY 148 N 0.04 2.81 -0.05 3.16 0.00 -1.26 -4.41 107.32 107.61 3hb4 s GLY 148 Ca -0.02 0.53 0.05 0.00 0.00 0.00 0.00 44.72 45.28 3hb4 s GLY 148 CO 0.03 0.98 -0.21 1.08 0.00 0.00 0.00 173.10 174.97 3hb4 s LEU 149 N -2.04 2.00 0.36 0.66 1.43 -1.26 -5.10 118.68 114.73 3hb4 s LEU 149 Ca 0.50 -0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 52.89 3hb4 s LEU 149 Cb -0.19 -1.16 -0.11 0.00 0.03 0.00 0.00 46.19 44.76 3hb4 s LEU 149 CO 0.24 0.21 1.47 -0.81 0.23 0.00 0.00 176.35 177.68 3hb4 n PRO 150 N 2.99 2.60 -0.87 1.29 -0.04 -1.26 -0.98 135.00 138.73 3hb4 n PRO 150 Ca -0.17 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 3hb4 n PRO 150 Cb 0.52 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 3hb4 n PRO 150 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hb4 n PHE 151 N 0.56 0.00 -1.14 0.54 3.72 -1.26 -4.78 117.46 115.10 3hb4 n PHE 151 Ca 0.02 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.50 3hb4 n PHE 151 Cb 0.38 -0.65 0.20 0.00 -0.94 0.00 0.00 39.48 38.47 3hb4 n PHE 151 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3hb4 n ASN 152 N -0.13 2.87 -0.27 4.37 3.02 -0.16 -1.65 115.26 123.31 3hb4 n ASN 152 Ca 0.00 -3.22 0.07 0.00 -0.03 0.00 0.00 54.58 51.40 3hb4 n ASN 152 Cb 0.07 -0.51 0.19 0.00 -0.61 0.00 0.00 39.78 38.92 3hb4 n ASN 152 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3hb4 h ASP 153 N 0.86 -0.25 0.14 6.41 3.32 -1.86 0.30 116.42 125.34 3hb4 h ASP 153 Ca 0.03 0.20 -0.22 0.00 0.02 0.00 0.00 57.03 57.06 3hb4 h ASP 153 Cb 1.24 0.33 0.01 0.00 0.22 0.00 0.00 39.33 41.13 3hb4 h ASP 153 CO 0.13 -0.17 -1.02 0.58 -1.72 0.00 0.00 179.24 177.04 3hb4 h VAL 154 N 0.13 1.36 -0.47 -1.35 2.07 -1.89 -1.00 116.25 115.10 3hb4 h VAL 154 Ca 0.45 -2.50 0.07 0.00 0.82 0.00 0.00 66.70 65.55 3hb4 h VAL 154 Cb 0.83 3.04 -0.06 0.00 -1.52 0.00 0.00 31.29 33.59 3hb4 h VAL 154 CO -0.67 0.71 0.12 0.22 0.02 0.00 0.00 177.57 177.98 3hb4 h TYR 155 N -0.35 0.20 -0.47 1.57 3.20 -1.62 -0.78 116.97 118.73 3hb4 h TYR 155 Ca -0.20 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.64 3hb4 h TYR 155 Cb 1.69 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.92 3hb4 h TYR 155 CO 0.17 0.04 0.06 0.00 -1.64 0.00 0.00 178.16 176.79 3hb4 h ALA 157 N 0.95 0.34 -0.21 0.00 0.00 -0.76 0.91 119.26 120.50 3hb4 h ALA 157 Ca 0.14 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 3hb4 h ALA 157 Cb 0.41 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3hb4 h ALA 157 CO 0.01 -0.46 0.09 0.66 0.00 0.00 0.00 179.25 179.55 3hb4 h SER 158 N -0.03 0.29 -0.01 0.00 4.64 -0.66 -2.13 113.55 115.67 3hb4 h SER 158 Ca 0.29 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3hb4 h SER 158 Cb 0.47 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3hb4 h SER 158 CO -0.64 0.38 0.00 0.11 -0.87 0.00 0.00 176.83 175.82 3hb4 h LYS 159 N 0.19 0.01 -0.96 4.77 1.79 -0.68 -2.57 116.57 119.12 3hb4 h LYS 159 Ca 0.07 -0.00 0.25 0.00 -2.18 0.00 0.00 60.65 58.79 3hb4 h LYS 159 Cb 0.18 -0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 30.70 3hb4 h LYS 159 CO -0.01 0.10 0.51 0.74 -1.08 0.00 0.00 179.45 179.72 3hb4 h PHE 160 N -0.09 0.86 -0.59 -1.35 -1.00 -0.90 -2.91 116.94 110.97 3hb4 h PHE 160 Ca 0.00 0.04 -0.08 0.00 2.81 0.00 0.00 57.97 60.74 3hb4 h PHE 160 Cb 0.09 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.40 3hb4 h PHE 160 CO -0.05 -0.02 0.05 0.00 -1.61 0.00 0.00 178.31 176.68 3hb4 h ALA 161 N 1.74 0.97 -0.68 2.45 0.00 -0.98 -1.53 119.26 121.22 3hb4 h ALA 161 Ca 0.63 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.28 3hb4 h ALA 161 Cb 1.23 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3hb4 h ALA 161 CO -0.52 0.63 0.45 -0.07 0.00 0.00 0.00 179.25 179.75 3hb4 h LEU 162 N 0.92 0.74 -0.13 0.00 3.38 -1.31 0.23 115.31 119.13 3hb4 h LEU 162 Ca 0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3hb4 h LEU 162 Cb 0.47 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3hb4 h LEU 162 CO 0.02 0.52 0.08 -0.33 0.09 0.00 0.00 178.44 178.81 3hb4 h GLU 163 N 0.86 0.18 -0.05 1.13 4.39 -1.20 -0.77 114.58 119.12 3hb4 h GLU 163 Ca 0.26 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3hb4 h GLU 163 Cb 0.00 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3hb4 h GLU 163 CO -0.07 0.18 0.03 0.78 -1.16 0.00 0.00 179.01 178.77 3hb4 h GLY 164 N 0.13 0.07 0.61 -3.84 0.00 -0.79 -0.93 103.07 98.32 3hb4 h GLY 164 Ca 0.05 -0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.38 3hb4 h GLY 164 CO -0.01 0.03 -0.08 -2.00 0.00 0.00 0.00 176.54 174.47 3hb4 h LEU 165 N 0.04 -0.27 -0.06 3.11 5.85 -0.54 -2.44 115.31 121.00 3hb4 h LEU 165 Ca 0.02 0.06 -0.25 0.00 0.84 0.00 0.00 57.88 58.55 3hb4 h LEU 165 Cb 0.02 0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.20 3hb4 h LEU 165 CO -0.00 -0.11 -1.05 0.00 -0.34 0.00 0.00 178.44 176.93 3hb4 h GLU 167 N 0.25 0.96 -0.46 0.00 4.81 -1.20 0.20 114.58 119.14 3hb4 h GLU 167 Ca -0.11 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3hb4 h GLU 167 Cb 1.71 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.93 3hb4 h GLU 167 CO 0.19 0.86 0.27 0.77 -0.73 0.00 0.00 179.01 180.37 3hb4 h SER 168 N 0.88 0.55 -0.29 1.04 0.02 -1.40 -2.72 113.55 111.64 3hb4 h SER 168 Ca 0.20 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3hb4 h SER 168 Cb 0.31 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3hb4 h SER 168 CO -0.00 0.46 0.07 -0.07 -1.14 0.00 0.00 176.83 176.14 3hb4 h LEU 169 N 0.61 0.43 -1.16 5.07 3.38 -1.26 -3.13 115.31 119.25 3hb4 h LEU 169 Ca 0.16 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 58.00 3hb4 h LEU 169 Cb 0.01 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 3hb4 h LEU 169 CO -0.03 0.55 0.59 0.00 0.09 0.00 0.00 178.44 179.64 3hb4 h ALA 170 N 0.90 1.60 -0.86 1.53 0.00 -0.77 -0.77 119.26 120.89 3hb4 h ALA 170 Ca 0.09 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hb4 h ALA 170 Cb 0.29 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3hb4 h ALA 170 CO 0.00 0.22 0.56 0.28 0.00 0.00 0.00 179.25 180.31 3hb4 h VAL 171 N 0.93 1.19 -0.19 0.00 2.07 -1.43 -2.57 116.25 116.25 3hb4 h VAL 171 Ca 0.42 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 67.44 3hb4 h VAL 171 Cb 0.39 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3hb4 h VAL 171 CO -0.18 0.21 -0.35 0.25 0.02 0.00 0.00 177.57 177.51 3hb4 h LEU 172 N 1.13 0.63 -1.02 2.57 5.85 -1.34 -3.36 115.31 119.77 3hb4 h LEU 172 Ca 0.32 -0.54 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 3hb4 h LEU 172 Cb -0.08 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 3hb4 h LEU 172 CO -0.09 1.06 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.83 3hb4 h LEU 173 N 0.23 0.00 -0.68 2.25 3.38 -1.08 -3.37 115.31 116.04 3hb4 h LEU 173 Ca 0.01 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3hb4 h LEU 173 Cb 0.95 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.61 3hb4 h LEU 173 CO 0.08 0.17 -0.40 -0.11 0.09 0.00 0.00 178.44 178.27 3hb4 n LEU 174 N -3.29 -0.72 -0.08 1.67 7.94 -0.98 -0.35 117.00 121.19 3hb4 n LEU 174 Ca 0.01 1.29 0.09 0.00 -1.11 0.00 0.00 56.01 56.29 3hb4 n LEU 174 Cb 0.43 -0.20 0.49 0.00 0.53 0.00 0.00 43.42 44.67 3hb4 n LEU 174 CO 0.32 -1.03 0.82 -0.81 -1.11 0.00 0.00 177.39 175.59 3hb4 n PRO 175 N -4.71 1.11 0.04 1.96 -0.04 -1.26 -3.27 135.00 128.82 3hb4 n PRO 175 Ca 0.01 -0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.43 3hb4 n PRO 175 Cb 0.18 -1.29 0.11 0.00 -0.04 0.00 0.00 33.50 32.46 3hb4 n PRO 175 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hb4 n PHE 176 N -0.61 0.36 -1.04 0.54 3.01 0.52 -4.97 117.46 115.27 3hb4 n PHE 176 Ca 0.13 0.11 -0.02 0.00 1.01 0.00 0.00 57.45 58.68 3hb4 n PHE 176 Cb 0.10 -0.51 -0.01 0.00 -0.01 0.00 0.00 39.48 39.05 3hb4 n PHE 176 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hb4 n GLY 177 N 1.37 0.45 3.72 1.37 0.00 -1.20 -4.34 105.19 106.56 3hb4 n GLY 177 Ca 0.03 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 3hb4 n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hb4 s VAL 178 N -1.77 5.34 -0.22 1.61 1.01 -1.25 -3.90 120.40 121.21 3hb4 s VAL 178 Ca 0.00 0.41 -0.05 0.00 0.00 0.00 0.00 61.98 62.33 3hb4 s VAL 178 Cb 0.00 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 3hb4 s VAL 178 CO 0.00 0.39 0.01 -1.00 0.00 0.00 0.00 175.10 174.51 3hb4 s HIS 179 N 0.54 3.04 -0.14 5.22 0.09 0.35 -4.52 115.29 119.88 3hb4 s HIS 179 Ca 0.13 -0.55 -0.02 0.00 -0.00 0.00 0.00 55.06 54.63 3hb4 s HIS 179 Cb -0.12 -2.14 -0.02 0.00 -0.00 0.00 0.00 32.58 30.30 3hb4 s HIS 179 CO 0.02 -0.34 -0.08 -1.17 -0.00 0.00 0.00 174.74 173.17 3hb4 s LEU 180 N 1.29 3.00 -0.00 0.89 0.20 -1.26 0.62 118.68 123.42 3hb4 s LEU 180 Ca 0.04 -0.21 0.01 0.00 0.69 0.00 0.00 54.13 54.66 3hb4 s LEU 180 Cb -0.15 -1.70 -0.00 0.00 -0.43 0.00 0.00 46.19 43.92 3hb4 s LEU 180 CO 0.01 0.19 -0.02 -0.44 -0.29 0.00 0.00 176.35 175.80 3hb4 s SER 181 N 0.24 0.27 0.00 3.68 0.01 0.33 -4.46 113.70 113.77 3hb4 s SER 181 Ca -0.06 -0.04 -0.19 0.00 1.31 0.00 0.00 55.95 56.97 3hb4 s SER 181 Cb -0.15 -0.03 -0.06 0.00 0.21 0.00 0.00 66.02 65.99 3hb4 s SER 181 CO 0.04 0.02 0.56 -0.76 0.41 0.00 0.00 173.24 173.51 3hb4 s LEU 182 N -0.02 4.43 -0.37 2.44 1.43 0.11 -0.52 118.68 126.19 3hb4 s LEU 182 Ca 0.01 1.13 -0.09 0.00 -1.03 0.00 0.00 54.13 54.14 3hb4 s LEU 182 Cb -0.01 -2.86 0.04 0.00 0.03 0.00 0.00 46.19 43.39 3hb4 s LEU 182 CO -0.00 0.15 0.18 -0.63 0.23 0.00 0.00 176.35 176.28 3hb4 s ILE 183 N -0.40 4.20 -0.37 -0.59 -1.09 0.15 -0.66 121.20 122.45 3hb4 s ILE 183 Ca 0.29 -1.08 -0.19 0.00 -2.23 0.00 0.00 60.65 57.44 3hb4 s ILE 183 Cb -0.18 -3.41 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 3hb4 s ILE 183 CO 0.16 -0.27 0.55 -1.61 -1.23 0.00 0.00 174.94 172.54 3hb4 s GLU 184 N 1.47 3.53 -0.16 2.79 0.41 0.62 0.47 118.70 127.83 3hb4 s GLU 184 Ca 0.01 -0.21 -0.09 0.00 -0.41 0.00 0.00 54.97 54.27 3hb4 s GLU 184 Cb -0.20 -3.84 -0.05 0.00 -1.78 0.00 0.00 34.13 28.26 3hb4 s GLU 184 CO 0.04 -0.73 0.15 0.00 -0.49 0.00 0.00 175.26 174.23 3hb4 n GLY 186 N 2.89 -1.06 3.77 0.00 0.00 -1.26 -1.67 105.19 107.86 3hb4 n GLY 186 Ca -0.17 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 3hb4 n GLY 186 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hb4 s PRO 187 N 0.00 4.16 -0.05 1.61 0.02 -1.26 -4.89 135.00 134.58 3hb4 s PRO 187 Ca 0.00 2.51 0.04 0.00 0.02 0.00 0.00 61.00 63.57 3hb4 s PRO 187 Cb 0.00 -3.00 -0.00 0.00 0.02 0.00 0.00 34.50 31.51 3hb4 s PRO 187 CO 0.00 -0.50 -0.17 0.08 -0.33 0.00 0.00 177.00 176.08 3hb4 s VAL 188 N -0.78 1.45 -0.52 3.83 1.01 -1.26 -1.91 120.40 122.22 3hb4 s VAL 188 Ca 0.55 -0.71 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 3hb4 s VAL 188 Cb -0.46 -1.25 0.05 0.00 0.00 0.00 0.00 36.38 34.72 3hb4 s VAL 188 CO 0.57 0.42 0.74 -2.28 0.00 0.00 0.00 175.10 174.55 3hb4 s HIS 189 N 0.16 2.95 0.05 5.22 2.46 0.63 -4.72 115.29 122.05 3hb4 s HIS 189 Ca -0.07 -0.31 0.00 0.00 0.47 0.00 0.00 55.06 55.15 3hb4 s HIS 189 Cb -0.13 -3.72 0.00 0.00 -0.13 0.00 0.00 32.58 28.60 3hb4 s HIS 189 CO 0.03 -1.14 0.00 0.25 -2.47 0.00 0.00 174.74 171.41 3hb4 n THR 190 N 5.85 0.11 0.00 0.89 -2.24 -1.26 -4.26 114.28 113.37 3hb4 n THR 190 Ca -0.03 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3hb4 n THR 190 Cb 0.46 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 3hb4 n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hb4 n ALA 191 N -2.88 0.00 -1.00 6.98 0.00 -1.26 -4.95 120.51 117.40 3hb4 n ALA 191 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hb4 n ALA 191 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 3hb4 n ALA 191 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hb4 n PHE 192 N 0.00 0.00 -0.32 0.00 3.72 -1.26 -4.42 117.46 115.19 3hb4 n PHE 192 Ca 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 3hb4 n PHE 192 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 3hb4 n PHE 192 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3hb4 n MET 193 N -0.39 0.77 0.00 -1.08 2.81 -1.26 -4.74 117.12 113.24 3hb4 n MET 193 Ca 0.00 -0.60 0.00 0.00 -1.81 0.00 0.00 57.70 55.29 3hb4 n MET 193 Cb 0.00 -1.91 0.00 0.00 -0.71 0.00 0.00 33.22 30.60 3hb4 n MET 193 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3hb4 n GLU 194 N 3.68 0.00 -1.40 0.03 -0.58 -1.26 -4.55 120.64 116.56 3hb4 n GLU 194 Ca 0.17 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.63 3hb4 n GLU 194 Cb 0.16 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.96 3hb4 n GLU 194 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3hb4 n LYS 195 N 0.00 3.04 0.00 3.49 4.81 -1.26 -3.65 118.16 124.59 3hb4 n LYS 195 Ca 0.00 -2.13 0.11 0.00 -0.87 0.00 0.00 58.31 55.42 3hb4 n LYS 195 Cb 0.00 -2.35 -0.03 0.00 0.02 0.00 0.00 35.03 32.67 3hb4 n LYS 195 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3hb4 n VAL 196 N 2.18 0.00 -4.25 3.15 0.24 -1.26 -4.93 118.33 113.46 3hb4 n VAL 196 Ca 0.57 -0.12 -0.22 0.00 -2.04 0.00 0.00 64.34 62.52 3hb4 n VAL 196 Cb 0.53 1.05 -0.17 0.00 -1.47 0.00 0.00 33.84 33.78 3hb4 n VAL 196 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 3hb4 s LEU 197 N -2.75 1.37 1.12 1.34 2.34 -1.24 -1.59 118.68 119.28 3hb4 s LEU 197 Ca 0.14 -0.20 -0.16 0.00 0.06 0.00 0.00 54.13 53.96 3hb4 s LEU 197 Cb 0.17 -0.62 0.15 0.00 -0.56 0.00 0.00 46.19 45.34 3hb4 s LEU 197 CO 0.71 -0.04 0.35 0.61 -1.06 0.00 0.00 176.35 176.93 3hb4 n GLY 198 N 4.14 -2.27 3.74 -3.48 0.00 -1.26 -4.99 105.19 101.07 3hb4 n GLY 198 Ca -0.22 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 3hb4 n GLY 198 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hb4 s SER 199 N -2.03 4.68 0.27 1.61 1.04 -1.26 -4.77 113.70 113.24 3hb4 s SER 199 Ca 0.60 2.33 0.00 0.00 0.48 0.00 0.00 55.95 59.36 3hb4 s SER 199 Cb -0.17 -2.59 0.56 0.00 0.10 0.00 0.00 66.02 63.93 3hb4 s SER 199 CO 0.66 -1.94 1.78 1.55 0.98 0.00 0.00 173.24 176.27 3hb4 h PRO 200 N 0.18 0.68 -0.20 4.02 0.13 -1.99 -0.41 132.00 134.42 3hb4 h PRO 200 Ca -0.49 -0.04 0.06 0.00 -0.87 0.00 0.00 66.00 64.66 3hb4 h PRO 200 Cb 1.29 -0.15 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 3hb4 h PRO 200 CO 0.52 0.45 -0.28 1.49 -0.23 0.00 0.00 178.00 179.95 3hb4 h GLU 201 N 0.70 -0.31 -0.09 0.86 4.57 -2.00 -0.09 114.58 118.22 3hb4 h GLU 201 Ca 0.48 0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 58.50 3hb4 h GLU 201 Cb 0.66 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.32 3hb4 h GLU 201 CO -0.35 -0.20 -0.73 1.49 -1.18 0.00 0.00 179.01 178.04 3hb4 h GLU 202 N -0.32 0.46 -0.39 1.92 4.22 -1.76 -2.77 114.58 115.94 3hb4 h GLU 202 Ca 0.12 -0.37 -0.05 0.00 0.08 0.00 0.00 59.36 59.14 3hb4 h GLU 202 Cb 0.50 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3hb4 h GLU 202 CO -0.38 1.00 0.06 0.28 -2.18 0.00 0.00 179.01 177.80 3hb4 h VAL 203 N 0.31 1.24 -0.77 0.32 2.07 -0.99 -3.10 116.25 115.33 3hb4 h VAL 203 Ca -0.03 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.65 3hb4 h VAL 203 Cb 1.31 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 3hb4 h VAL 203 CO 0.13 0.29 0.50 0.25 0.02 0.00 0.00 177.57 178.76 3hb4 h LEU 204 N 0.49 0.85 -1.59 2.57 5.85 -0.98 -1.20 115.31 121.31 3hb4 h LEU 204 Ca 0.12 -0.01 0.39 0.00 0.84 0.00 0.00 57.88 59.21 3hb4 h LEU 204 Cb 0.36 -0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.10 3hb4 h LEU 204 CO 0.01 0.60 0.87 0.44 -0.34 0.00 0.00 178.44 180.02 3hb4 h ASP 205 N 1.00 0.22 -0.02 1.25 5.19 -1.46 -2.88 116.42 119.73 3hb4 h ASP 205 Ca 0.30 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 3hb4 h ASP 205 Cb -0.05 0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3hb4 h ASP 205 CO -0.09 -0.05 -0.02 0.54 -3.12 0.00 0.00 179.24 176.50 3hb4 n ARG 206 N -4.48 1.20 -4.17 3.56 1.74 -0.48 -5.00 116.66 109.03 3hb4 n ARG 206 Ca 0.33 -1.37 -0.15 0.00 -0.77 0.00 0.00 57.85 55.89 3hb4 n ARG 206 Cb 1.32 -1.29 -0.07 0.00 -1.02 0.00 0.00 32.46 31.40 3hb4 n ARG 206 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3hb4 s THR 207 N -1.33 0.00 0.82 0.55 -1.32 -1.02 -4.25 115.64 109.10 3hb4 s THR 207 Ca 0.18 -1.81 -0.12 0.00 -1.21 0.00 0.00 61.69 58.72 3hb4 s THR 207 Cb 0.13 -2.50 0.09 0.00 -1.51 0.00 0.00 72.50 68.70 3hb4 s THR 207 CO 0.21 0.00 1.16 1.51 -2.21 0.00 0.00 174.62 175.29 3hb4 s ASP 208 N -3.23 4.36 0.25 8.08 -4.77 -1.26 -4.85 116.67 115.24 3hb4 s ASP 208 Ca 0.35 0.86 0.06 0.00 -3.30 0.00 0.00 52.55 50.52 3hb4 s ASP 208 Cb 0.03 -1.40 0.29 0.00 -1.09 0.00 0.00 42.92 40.75 3hb4 s ASP 208 CO 0.19 -2.01 1.58 -0.29 0.70 0.00 0.00 175.17 175.34 3hb4 h ILE 209 N -1.12 1.40 0.00 2.11 6.09 -1.99 -1.20 117.51 122.80 3hb4 h ILE 209 Ca -0.47 -2.01 -0.21 0.00 -1.37 0.00 0.00 64.86 60.80 3hb4 h ILE 209 Cb 1.32 2.04 0.02 0.00 0.47 0.00 0.00 36.82 40.67 3hb4 h ILE 209 CO 0.65 0.59 -0.81 0.45 -3.07 0.00 0.00 178.15 175.96 3hb4 h HIS 210 N 0.12 0.81 -0.29 2.19 3.86 -1.99 -1.76 115.15 118.09 3hb4 h HIS 210 Ca -0.01 -0.44 -0.01 0.00 -1.16 0.00 0.00 60.37 58.75 3hb4 h HIS 210 Cb 1.10 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.46 3hb4 h HIS 210 CO 0.01 1.27 0.14 1.15 0.86 0.00 0.00 177.93 181.36 3hb4 h THR 211 N 0.12 1.15 -0.64 2.45 2.02 -1.95 -1.94 112.91 114.13 3hb4 h THR 211 Ca -0.10 -0.45 0.07 0.00 0.77 0.00 0.00 66.41 66.70 3hb4 h THR 211 Cb 1.49 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 68.76 3hb4 h THR 211 CO 0.16 0.16 0.32 0.15 0.37 0.00 0.00 175.52 176.68 3hb4 h PHE 212 N 0.34 0.58 -0.44 3.16 3.57 -1.20 -1.40 116.94 121.54 3hb4 h PHE 212 Ca 0.10 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3hb4 h PHE 212 Cb 0.13 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3hb4 h PHE 212 CO -0.02 0.24 0.24 1.25 -2.23 0.00 0.00 178.31 177.79 3hb4 h HIS 213 N 0.58 0.59 -0.45 0.41 2.76 -1.20 -2.45 115.15 115.39 3hb4 h HIS 213 Ca 0.30 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.49 3hb4 h HIS 213 Cb 0.26 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 3hb4 h HIS 213 CO -0.11 0.45 0.30 0.00 -1.30 0.00 0.00 177.93 177.27 3hb4 h ARG 214 N 0.57 0.49 -0.52 5.26 2.47 -0.96 -2.03 114.38 119.66 3hb4 h ARG 214 Ca 0.15 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.81 3hb4 h ARG 214 Cb 0.05 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.24 3hb4 h ARG 214 CO -0.03 0.32 0.19 0.35 0.56 0.00 0.00 179.97 181.37 3hb4 h PHE 215 N 0.50 0.80 -0.28 3.04 3.57 -0.80 -0.29 116.94 123.48 3hb4 h PHE 215 Ca 0.18 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3hb4 h PHE 215 Cb 0.10 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3hb4 h PHE 215 CO -0.00 0.67 0.18 -0.92 -2.23 0.00 0.00 178.31 176.01 3hb4 h TYR 216 N 0.70 0.36 -0.68 0.41 5.03 -1.28 0.33 116.97 121.84 3hb4 h TYR 216 Ca 0.17 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.48 3hb4 h TYR 216 Cb 0.22 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 38.34 3hb4 h TYR 216 CO 0.01 0.25 0.41 1.96 -1.32 0.00 0.00 178.16 179.47 3hb4 h GLN 217 N 0.38 0.92 -0.21 1.82 4.20 -1.13 -0.20 115.11 120.89 3hb4 h GLN 217 Ca 0.10 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3hb4 h GLN 217 Cb -0.02 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 3hb4 h GLN 217 CO -0.02 0.65 0.12 -0.92 -0.67 0.00 0.00 178.83 177.99 3hb4 h TYR 218 N 0.93 0.28 -0.70 2.96 3.20 -0.69 -1.98 116.97 120.97 3hb4 h TYR 218 Ca 0.25 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.22 3hb4 h TYR 218 Cb -0.03 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.07 3hb4 h TYR 218 CO -0.02 0.24 0.32 -0.07 -1.64 0.00 0.00 178.16 176.99 3hb4 h LEU 219 N 0.24 0.38 0.05 2.82 3.38 -0.67 0.14 115.31 121.65 3hb4 h LEU 219 Ca 0.07 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3hb4 h LEU 219 Cb 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3hb4 h LEU 219 CO -0.01 0.20 -0.07 0.00 0.09 0.00 0.00 178.44 178.65 3hb4 h ALA 220 N 1.45 -0.11 -0.82 1.53 0.00 -0.88 -1.04 119.26 119.40 3hb4 h ALA 220 Ca 0.36 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3hb4 h ALA 220 Cb 0.43 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3hb4 h ALA 220 CO -0.30 -0.58 0.50 1.25 0.00 0.00 0.00 179.25 180.11 3hb4 h HIS 221 N -0.14 1.07 0.07 0.00 -0.00 -0.98 -2.26 115.15 112.91 3hb4 h HIS 221 Ca 0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.39 3hb4 h HIS 221 Cb 0.15 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.19 3hb4 h HIS 221 CO -0.11 0.72 -0.12 1.03 -0.00 0.00 0.00 177.93 179.44 3hb4 h SER 222 N 1.12 -0.33 -0.89 3.26 0.87 -0.55 -0.42 113.55 116.61 3hb4 h SER 222 Ca 0.29 0.04 0.22 0.00 -1.23 0.00 0.00 61.79 61.11 3hb4 h SER 222 Cb -0.05 0.13 -0.12 0.00 -0.44 0.00 0.00 62.40 61.92 3hb4 h SER 222 CO -0.06 -0.18 0.39 0.11 -0.53 0.00 0.00 176.83 176.57 3hb4 h LYS 223 N -0.24 0.39 -0.07 2.24 6.56 -1.04 0.82 116.57 125.24 3hb4 h LYS 223 Ca 0.02 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 3hb4 h LYS 223 Cb 0.26 -0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 31.83 3hb4 h LYS 223 CO -0.07 0.26 -0.02 0.37 -2.06 0.00 0.00 179.45 177.93 3hb4 h GLN 224 N 0.41 0.14 -0.89 3.15 5.75 -0.84 -2.02 115.11 120.81 3hb4 h GLN 224 Ca 0.55 -0.06 0.07 0.00 -0.15 0.00 0.00 58.65 59.07 3hb4 h GLN 224 Cb 1.04 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.52 3hb4 h GLN 224 CO -0.52 0.47 0.55 0.28 -2.65 0.00 0.00 178.83 176.97 3hb4 h VAL 225 N -0.20 1.03 -0.62 2.39 2.07 -0.57 -2.57 116.25 117.79 3hb4 h VAL 225 Ca 0.02 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 3hb4 h VAL 225 Cb 0.42 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3hb4 h VAL 225 CO 0.01 0.18 0.01 -0.26 0.02 0.00 0.00 177.57 177.53 3hb4 h PHE 226 N 0.99 1.17 0.00 1.57 0.04 -0.78 -1.04 116.94 118.90 3hb4 h PHE 226 Ca 0.39 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.97 3hb4 h PHE 226 Cb 0.20 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.05 3hb4 h PHE 226 CO -0.03 1.02 0.00 2.89 -0.60 0.00 0.00 178.31 181.60 3hb4 n ARG 227 N -4.19 0.07 0.00 1.51 1.85 -0.77 -0.79 116.66 114.35 3hb4 n ARG 227 Ca 0.03 0.16 0.00 0.00 -1.00 0.00 0.00 57.85 57.04 3hb4 n ARG 227 Cb 0.34 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 3hb4 n ARG 227 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3hb4 n GLU 228 N -1.44 3.68 0.00 2.89 1.02 -1.05 -4.79 120.64 120.94 3hb4 n GLU 228 Ca 0.06 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 3hb4 n GLU 228 Cb 0.20 -0.60 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 3hb4 n GLU 228 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hb4 n ALA 229 N -0.57 0.05 -1.82 0.62 0.00 -0.42 -5.07 120.51 113.31 3hb4 n ALA 229 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3hb4 n ALA 229 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 3hb4 n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hb4 s ALA 230 N -0.06 3.72 0.29 0.00 0.00 0.03 -4.76 121.76 120.99 3hb4 s ALA 230 Ca 0.00 1.33 -0.09 0.00 0.00 0.00 0.00 51.96 53.19 3hb4 s ALA 230 Cb 0.00 -3.73 -0.07 0.00 0.00 0.00 0.00 23.12 19.32 3hb4 s ALA 230 CO 0.00 -1.16 0.62 -0.65 0.00 0.00 0.00 175.76 174.56 3hb4 s GLN 231 N 2.69 3.79 0.43 0.00 -0.21 -0.80 -4.69 119.66 120.87 3hb4 s GLN 231 Ca 0.77 0.31 -0.24 0.00 0.02 0.00 0.00 55.36 56.22 3hb4 s GLN 231 Cb -0.43 -2.57 -0.10 0.00 1.00 0.00 0.00 33.01 30.91 3hb4 s GLN 231 CO 0.34 0.21 1.07 0.09 -2.12 0.00 0.00 175.29 174.88 3hb4 n ASN 232 N -0.55 1.54 0.28 5.90 4.13 -1.26 -0.27 115.26 125.04 3hb4 n ASN 232 Ca 0.01 1.04 0.16 0.00 1.68 0.00 0.00 54.58 57.46 3hb4 n ASN 232 Cb 0.53 -1.39 0.78 0.00 -1.54 0.00 0.00 39.78 38.16 3hb4 n ASN 232 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 3hb4 h PRO 233 N 1.60 0.00 -0.60 3.52 0.11 -1.94 -1.87 132.00 132.82 3hb4 h PRO 233 Ca -0.45 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 3hb4 h PRO 233 Cb 1.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 3hb4 h PRO 233 CO 0.57 0.08 0.08 0.93 -0.21 0.00 0.00 178.00 179.44 3hb4 h GLU 234 N 0.00 1.01 -0.20 1.05 3.07 -1.95 0.37 114.58 117.93 3hb4 h GLU 234 Ca -0.00 -0.28 -0.02 0.00 -0.50 0.00 0.00 59.36 58.55 3hb4 h GLU 234 Cb 0.36 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 3hb4 h GLU 234 CO 0.01 0.96 0.03 1.49 -1.40 0.00 0.00 179.01 180.10 3hb4 h GLU 235 N 0.91 0.33 0.24 2.33 4.81 -1.91 -2.77 114.58 118.53 3hb4 h GLU 235 Ca 0.18 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3hb4 h GLU 235 Cb 0.45 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3hb4 h GLU 235 CO 0.02 0.49 -0.11 0.28 -0.73 0.00 0.00 179.01 178.95 3hb4 h VAL 236 N 0.12 0.78 -1.03 0.32 2.07 -1.26 -2.88 116.25 114.37 3hb4 h VAL 236 Ca 0.06 -0.08 0.28 0.00 0.82 0.00 0.00 66.70 67.78 3hb4 h VAL 236 Cb 0.32 0.83 -0.12 0.00 -1.52 0.00 0.00 31.29 30.80 3hb4 h VAL 236 CO 0.00 0.02 0.62 0.00 0.02 0.00 0.00 177.57 178.24 3hb4 h ALA 237 N 0.39 1.99 -0.20 1.67 0.00 -0.95 -1.29 119.26 120.87 3hb4 h ALA 237 Ca -0.03 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hb4 h ALA 237 Cb 0.28 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hb4 h ALA 237 CO 0.05 -0.49 0.14 0.93 0.00 0.00 0.00 179.25 179.88 3hb4 h GLU 238 N 0.45 0.19 -0.45 0.00 4.39 -1.26 -2.33 114.58 115.57 3hb4 h GLU 238 Ca 0.67 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 60.26 3hb4 h GLU 238 Cb 1.48 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.07 3hb4 h GLU 238 CO -0.46 0.12 -0.10 0.28 -1.16 0.00 0.00 179.01 177.70 3hb4 h VAL 239 N 0.19 1.27 -0.59 3.13 2.07 -1.24 -0.16 116.25 120.93 3hb4 h VAL 239 Ca 0.08 -1.20 0.05 0.00 0.82 0.00 0.00 66.70 66.45 3hb4 h VAL 239 Cb 0.10 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 3hb4 h VAL 239 CO -0.02 0.41 0.31 -0.26 0.02 0.00 0.00 177.57 178.04 3hb4 h PHE 240 N 0.69 0.58 -0.72 1.57 -1.00 -1.40 -2.11 116.94 114.55 3hb4 h PHE 240 Ca 0.11 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.89 3hb4 h PHE 240 Cb 0.63 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.99 3hb4 h PHE 240 CO 0.05 0.28 0.33 -0.07 -1.61 0.00 0.00 178.31 177.29 3hb4 h LEU 241 N 0.60 0.95 -0.65 1.54 -0.00 -0.86 -1.77 115.31 115.13 3hb4 h LEU 241 Ca 0.26 -0.14 0.08 0.00 -0.00 0.00 0.00 57.88 58.08 3hb4 h LEU 241 Cb 0.15 -0.25 -0.06 0.00 -0.00 0.00 0.00 40.66 40.50 3hb4 h LEU 241 CO -0.17 0.83 0.31 0.74 -0.00 0.00 0.00 178.44 180.16 3hb4 h THR 242 N 1.01 0.87 -0.31 0.22 2.02 -0.83 -1.40 112.91 114.50 3hb4 h THR 242 Ca 0.25 -0.19 -0.11 0.00 0.77 0.00 0.00 66.41 67.12 3hb4 h THR 242 Cb 0.14 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3hb4 h THR 242 CO -0.03 0.10 -0.27 0.00 0.37 0.00 0.00 175.52 175.70 3hb4 h ALA 243 N 1.38 0.97 0.00 6.16 0.00 -1.07 -2.02 119.26 124.69 3hb4 h ALA 243 Ca 0.31 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3hb4 h ALA 243 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hb4 h ALA 243 CO -0.24 0.60 -0.39 1.25 0.00 0.00 0.00 179.25 180.47 3hb4 h LEU 244 N 0.53 0.00 0.00 0.00 6.46 -0.98 -3.08 115.31 118.24 3hb4 h LEU 244 Ca 0.07 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.66 3hb4 h LEU 244 Cb 0.73 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.63 3hb4 h LEU 244 CO 0.06 0.39 -1.45 0.54 -0.62 0.00 0.00 178.44 177.36 3hb4 n ARG 245 N -3.27 0.62 -1.69 1.25 1.74 -0.56 -4.96 116.66 109.79 3hb4 n ARG 245 Ca 0.02 0.22 -0.44 0.00 -0.77 0.00 0.00 57.85 56.88 3hb4 n ARG 245 Cb 0.64 -1.80 -0.04 0.00 -1.02 0.00 0.00 32.46 30.24 3hb4 n ARG 245 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hb4 n ALA 246 N -2.41 2.02 0.08 7.54 0.00 -0.77 -4.92 120.51 122.06 3hb4 n ALA 246 Ca -0.10 0.42 0.01 0.00 0.00 0.00 0.00 53.44 53.77 3hb4 n ALA 246 Cb 0.85 -2.43 0.34 0.00 0.00 0.00 0.00 19.45 18.21 3hb4 n ALA 246 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3hb4 h PRO 247 N 6.24 0.32 -2.74 0.00 0.11 -1.92 -3.35 132.00 130.66 3hb4 h PRO 247 Ca -0.44 -0.08 -0.60 0.00 0.11 0.00 0.00 66.00 64.99 3hb4 h PRO 247 Cb 1.23 -0.04 -0.39 0.00 0.11 0.00 0.00 31.00 31.91 3hb4 h PRO 247 CO 0.91 0.46 -0.81 0.21 -0.21 0.00 0.00 178.00 178.57 3hb4 s LYS 248 N -4.71 0.98 0.39 1.05 2.36 -1.26 -5.13 119.74 113.42 3hb4 s LYS 248 Ca -0.06 -1.80 -0.28 0.00 -2.55 0.00 0.00 55.97 51.28 3hb4 s LYS 248 Cb 0.15 -1.83 -0.11 0.00 -1.05 0.00 0.00 37.83 35.00 3hb4 s LYS 248 CO 0.75 -1.22 1.48 -2.14 1.55 0.00 0.00 175.35 175.77 3hb4 s PRO 249 N 0.52 4.04 0.82 4.03 0.02 -1.26 -5.03 135.00 138.15 3hb4 s PRO 249 Ca 0.20 2.56 -0.11 0.00 0.02 0.00 0.00 61.00 63.67 3hb4 s PRO 249 Cb -0.19 -2.92 0.11 0.00 0.02 0.00 0.00 34.50 31.52 3hb4 s PRO 249 CO -0.03 -0.58 1.17 0.95 -0.33 0.00 0.00 177.00 178.18 3hb4 s THR 250 N -1.13 2.06 0.24 0.99 -4.23 -1.26 -4.98 115.64 107.33 3hb4 s THR 250 Ca 0.54 -0.08 -0.04 0.00 -1.18 0.00 0.00 61.69 60.93 3hb4 s THR 250 Cb -0.46 -2.98 0.11 0.00 1.34 0.00 0.00 72.50 70.51 3hb4 s THR 250 CO 0.62 0.00 1.74 0.25 -0.54 0.00 0.00 174.62 176.69 3hb4 h LEU 251 N -1.09 0.88 -8.11 4.79 5.85 -1.95 -3.42 115.31 112.26 3hb4 h LEU 251 Ca -0.45 -0.21 -0.49 0.00 0.84 0.00 0.00 57.88 57.57 3hb4 h LEU 251 Cb 1.30 -0.23 -0.31 0.00 0.37 0.00 0.00 40.66 41.79 3hb4 h LEU 251 CO 0.57 0.91 -0.81 -0.13 -0.34 0.00 0.00 178.44 178.63 3hb4 s ARG 252 N -5.09 1.33 -0.08 1.25 0.52 -1.26 0.07 118.95 115.69 3hb4 s ARG 252 Ca -0.10 -0.46 0.01 0.00 -0.52 0.00 0.00 55.73 54.66 3hb4 s ARG 252 Cb 0.15 -1.20 -0.03 0.00 0.52 0.00 0.00 34.95 34.39 3hb4 s ARG 252 CO 0.83 0.19 -0.10 0.71 0.02 0.00 0.00 175.30 176.95 3hb4 s TYR 253 N 0.06 2.84 -0.16 -0.53 2.02 0.17 -4.96 117.35 116.79 3hb4 s TYR 253 Ca -0.02 -0.17 -0.05 0.00 -0.37 0.00 0.00 57.07 56.46 3hb4 s TYR 253 Cb -0.09 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 3hb4 s TYR 253 CO 0.01 0.17 0.00 -0.06 -1.57 0.00 0.00 175.55 174.10 3hb4 s PHE 254 N -0.52 3.13 -1.25 2.71 0.08 -1.26 -0.28 117.98 120.59 3hb4 s PHE 254 Ca 0.07 -0.11 0.28 0.00 0.12 0.00 0.00 56.93 57.29 3hb4 s PHE 254 Cb -0.12 -1.99 1.03 0.00 -0.57 0.00 0.00 43.02 41.37 3hb4 s PHE 254 CO 0.02 0.09 1.76 0.25 -0.10 0.00 0.00 175.22 177.24 3hb4 n THR 255 N 3.39 0.00 -3.73 0.64 -2.24 -0.56 -4.77 114.28 107.00 3hb4 n THR 255 Ca -0.17 -0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 3hb4 n THR 255 Cb 0.52 -0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.53 3hb4 n THR 255 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3hb4 s THR 256 N -2.80 0.01 -1.89 4.28 -1.32 -1.26 -4.98 115.64 107.68 3hb4 s THR 256 Ca 0.19 -0.07 0.28 0.00 -1.21 0.00 0.00 61.69 60.88 3hb4 s THR 256 Cb 0.19 -0.60 0.43 0.00 -1.51 0.00 0.00 72.50 71.01 3hb4 s THR 256 CO 0.56 -0.04 1.74 -0.62 -2.21 0.00 0.00 174.62 174.05 3hb4 n GLU 257 N 2.56 0.97 0.26 7.08 4.71 -1.26 -4.56 120.64 130.40 3hb4 n GLU 257 Ca -0.15 -0.48 0.12 0.00 -0.01 0.00 0.00 57.16 56.64 3hb4 n GLU 257 Cb 0.57 -1.49 0.72 0.00 -1.01 0.00 0.00 31.44 30.23 3hb4 n GLU 257 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 3hb4 h ARG 258 N 1.17 0.00 -0.02 3.49 2.43 -2.00 -2.19 114.38 117.25 3hb4 h ARG 258 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hb4 h ARG 258 Cb 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3hb4 h ARG 258 CO 0.00 0.11 -0.25 1.19 -1.51 0.00 0.00 179.97 179.50 3hb4 n PHE 259 N -3.83 0.00 -0.20 2.20 3.72 -1.26 -4.48 117.46 113.61 3hb4 n PHE 259 Ca -0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.37 3hb4 n PHE 259 Cb 0.21 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.95 3hb4 n PHE 259 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hb4 h LEU 260 N 3.12 0.87 0.05 4.37 3.38 -1.71 -0.81 115.31 124.58 3hb4 h LEU 260 Ca 0.00 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3hb4 h LEU 260 Cb 0.79 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3hb4 h LEU 260 CO 0.00 0.72 -0.39 1.55 0.09 0.00 0.00 178.44 180.40 3hb4 h PRO 261 N 0.98 -0.51 -0.94 1.13 0.13 -1.78 -0.90 132.00 130.11 3hb4 h PRO 261 Ca 0.25 0.03 0.25 0.00 -0.87 0.00 0.00 66.00 65.66 3hb4 h PRO 261 Cb 0.05 0.12 -0.13 0.00 0.13 0.00 0.00 31.00 31.16 3hb4 h PRO 261 CO -0.04 -0.34 0.45 1.25 -0.23 0.00 0.00 178.00 179.09 3hb4 h LEU 262 N -0.53 0.39 -1.51 1.56 5.85 -1.74 0.33 115.31 119.66 3hb4 h LEU 262 Ca 0.00 0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 3hb4 h LEU 262 Cb 0.54 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3hb4 h LEU 262 CO -0.23 -0.04 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.58 3hb4 h LEU 263 N 0.39 0.00 -0.19 2.25 3.38 -0.87 -2.94 115.31 117.33 3hb4 h LEU 263 Ca 0.62 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.39 3hb4 h LEU 263 Cb 1.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.00 3hb4 h LEU 263 CO -0.56 0.18 -0.66 0.03 0.09 0.00 0.00 178.44 177.51 3hb4 h ARG 264 N 0.00 0.78 -0.16 1.13 2.47 0.11 -3.08 114.38 115.63 3hb4 h ARG 264 Ca -0.00 -0.59 -0.11 0.00 -1.26 0.00 0.00 59.98 58.02 3hb4 h ARG 264 Cb 0.55 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 3hb4 h ARG 264 CO 0.02 1.21 -0.39 1.98 0.56 0.00 0.00 179.97 183.35 3hb4 h MET 265 N 0.52 0.36 -0.65 0.04 1.85 -1.34 -1.60 114.93 114.12 3hb4 h MET 265 Ca -0.03 -0.17 0.13 0.00 -0.61 0.00 0.00 59.70 59.03 3hb4 h MET 265 Cb 1.29 -0.00 -0.10 0.00 0.43 0.00 0.00 31.60 33.21 3hb4 h MET 265 CO 0.14 0.69 0.09 0.00 -0.40 0.00 0.00 176.91 177.43 3hb4 h ARG 266 N 0.30 0.19 0.00 0.39 3.08 -1.53 -3.20 114.38 113.62 3hb4 h ARG 266 Ca 0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3hb4 h ARG 266 Cb 0.82 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.82 3hb4 h ARG 266 CO 0.07 0.13 -0.70 1.28 -1.07 0.00 0.00 179.97 179.67 3hb4 n LEU 267 N -5.20 0.62 -0.36 3.04 7.99 -0.66 -3.44 117.00 118.99 3hb4 n LEU 267 Ca 0.10 -0.07 0.07 0.00 -0.01 0.00 0.00 56.01 56.10 3hb4 n LEU 267 Cb 0.38 -0.17 0.01 0.00 -0.11 0.00 0.00 43.42 43.53 3hb4 n LEU 267 CO 0.13 0.11 0.29 -0.90 -1.51 0.00 0.00 177.39 175.51 3hb4 n ASP 268 N -1.65 1.59 -4.07 -1.43 3.85 -0.85 -4.57 116.55 109.42 3hb4 n ASP 268 Ca 0.04 -1.30 -0.35 0.00 -0.71 0.00 0.00 54.79 52.48 3hb4 n ASP 268 Cb 0.36 0.37 -0.10 0.00 -1.35 0.00 0.00 41.12 40.40 3hb4 n ASP 268 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3hb4 s ASP 269 N -1.54 5.19 0.55 -1.12 2.15 -1.21 -4.99 116.67 115.70 3hb4 s ASP 269 Ca 0.12 -3.05 0.24 0.00 0.43 0.00 0.00 52.55 50.29 3hb4 s ASP 269 Cb 0.11 -1.82 1.49 0.00 -0.30 0.00 0.00 42.92 42.39 3hb4 s ASP 269 CO 0.30 -0.31 2.12 -0.65 -0.17 0.00 0.00 175.17 176.46 3hb4 h PRO 270 N 6.74 0.00 0.00 4.34 0.11 -1.81 -2.21 132.00 139.17 3hb4 h PRO 270 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3hb4 h PRO 270 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3hb4 h PRO 270 CO 0.73 0.00 0.08 0.66 -0.21 0.00 0.00 178.00 179.26 3hb4 h SER 271 N 0.00 0.00 0.00 -2.05 4.64 -1.94 -3.46 113.55 110.75 3hb4 h SER 271 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3hb4 h SER 271 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3hb4 h SER 271 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3hb4 n GLY 272 N -1.23 1.62 0.29 -0.77 0.00 -0.83 -4.91 105.19 99.35 3hb4 n GLY 272 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 3hb4 n GLY 272 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3hb4 h SER 273 N 0.00 0.87 -0.48 1.61 0.87 -1.89 -2.25 113.55 112.29 3hb4 h SER 273 Ca 0.00 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 3hb4 h SER 273 Cb 0.00 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 3hb4 h SER 273 CO 0.00 0.73 0.21 0.78 -0.53 0.00 0.00 176.83 178.02 3hb4 h ASN 274 N 0.95 0.64 -0.55 6.23 2.35 -1.88 -1.75 115.58 121.57 3hb4 h ASN 274 Ca 0.24 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3hb4 h ASN 274 Cb 0.06 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 3hb4 h ASN 274 CO -0.04 0.61 0.32 0.22 -1.65 0.00 0.00 177.43 176.90 3hb4 h TYR 275 N 0.63 0.73 -0.10 1.19 3.20 -1.75 0.97 116.97 121.84 3hb4 h TYR 275 Ca 0.16 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.85 3hb4 h TYR 275 Cb 0.16 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3hb4 h TYR 275 CO -0.00 0.51 -0.67 0.28 -1.64 0.00 0.00 178.16 176.64 3hb4 h VAL 276 N 0.73 1.37 0.21 1.81 2.07 -1.25 0.14 116.25 121.33 3hb4 h VAL 276 Ca 0.19 -2.04 -0.01 0.00 0.82 0.00 0.00 66.70 65.67 3hb4 h VAL 276 Cb 0.01 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3hb4 h VAL 276 CO -0.03 0.61 -0.10 0.74 0.02 0.00 0.00 177.57 178.81 3hb4 h THR 277 N 0.29 0.85 -0.41 2.57 2.02 -0.91 -0.73 112.91 116.60 3hb4 h THR 277 Ca -0.02 -0.79 0.07 0.00 0.77 0.00 0.00 66.41 66.44 3hb4 h THR 277 Cb 1.22 1.28 -0.06 0.00 -1.74 0.00 0.00 68.15 68.86 3hb4 h THR 277 CO 0.11 0.17 0.05 0.00 0.37 0.00 0.00 175.52 176.22 3hb4 h ALA 278 N -0.08 0.42 -0.44 6.16 0.00 -0.72 -2.28 119.26 122.32 3hb4 h ALA 278 Ca -0.03 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3hb4 h ALA 278 Cb 0.49 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hb4 h ALA 278 CO 0.05 -0.35 -0.24 1.98 0.00 0.00 0.00 179.25 180.69 3hb4 h MET 279 N 0.17 0.91 -0.54 0.00 -1.53 -0.77 0.18 114.93 113.34 3hb4 h MET 279 Ca 0.20 -0.39 0.06 0.00 -3.44 0.00 0.00 59.70 56.13 3hb4 h MET 279 Cb 0.26 -0.03 -0.05 0.00 -0.55 0.00 0.00 31.60 31.22 3hb4 h MET 279 CO -0.28 1.04 0.25 1.25 0.14 0.00 0.00 176.91 179.30 3hb4 h HIS 280 N 0.78 0.45 -0.10 1.39 2.76 -0.78 -0.13 115.15 119.51 3hb4 h HIS 280 Ca 0.10 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.18 3hb4 h HIS 280 Cb 0.80 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.64 3hb4 h HIS 280 CO 0.05 0.19 -0.39 -0.09 -1.30 0.00 0.00 177.93 176.39 3hb4 h ARG 281 N 0.47 0.44 -0.80 5.26 1.12 -1.34 0.69 114.38 120.22 3hb4 h ARG 281 Ca 0.25 -0.34 0.19 0.00 -1.11 0.00 0.00 59.98 58.98 3hb4 h ARG 281 Cb 0.22 0.06 -0.13 0.00 -0.01 0.00 0.00 29.97 30.11 3hb4 h ARG 281 CO -0.21 0.97 0.11 0.93 -3.11 0.00 0.00 179.97 178.66 3hb4 h GLU 282 N 0.01 0.16 0.17 0.20 4.39 -0.46 -3.11 114.58 115.95 3hb4 h GLU 282 Ca -0.02 -0.01 -0.34 0.00 0.34 0.00 0.00 59.36 59.33 3hb4 h GLU 282 Cb 1.02 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.64 3hb4 h GLU 282 CO 0.08 0.11 -1.67 0.28 -1.16 0.00 0.00 179.01 176.64 3hb4 h VAL 283 N 0.16 1.02 -0.01 3.13 2.07 -0.84 -3.51 116.25 118.28 3hb4 h VAL 283 Ca 0.47 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 65.38 3hb4 h VAL 283 Cb 0.87 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.42 3hb4 h VAL 283 CO -0.65 0.84 0.00 0.49 0.02 0.00 0.00 177.57 178.28