#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hg5 n ASP 33 N 0.00 5.29 -1.20 1.96 2.03 -1.26 -4.42 116.55 118.94 3hg5 n ASP 33 Ca 0.00 -2.42 0.09 0.00 0.52 0.00 0.00 54.79 52.99 3hg5 n ASP 33 Cb 0.00 -1.19 0.28 0.00 -0.72 0.00 0.00 41.12 39.49 3hg5 n ASP 33 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3hg5 n ASN 34 N 1.74 3.50 0.00 1.67 6.94 -1.26 -4.92 115.26 122.93 3hg5 n ASN 34 Ca 0.10 -2.08 0.00 0.00 -0.02 0.00 0.00 54.58 52.58 3hg5 n ASN 34 Cb 0.59 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 3hg5 n ASN 34 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hg5 n GLY 35 N 1.38 0.45 3.83 4.83 0.00 -1.26 -5.01 105.19 109.41 3hg5 n GLY 35 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 3hg5 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg5 s LEU 36 N 0.00 3.52 -1.55 0.99 1.43 -1.26 -4.64 118.68 117.17 3hg5 s LEU 36 Ca 0.00 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 3hg5 s LEU 36 Cb 0.00 -2.11 0.09 0.00 0.03 0.00 0.00 46.19 44.20 3hg5 s LEU 36 CO 0.00 -0.36 0.83 0.00 0.23 0.00 0.00 176.35 177.05 3hg5 n ALA 37 N -1.34 -1.44 0.23 4.21 0.00 -1.26 -4.03 120.51 116.88 3hg5 n ALA 37 Ca -0.02 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.53 3hg5 n ALA 37 Cb 0.60 -3.56 0.54 0.00 0.00 0.00 0.00 19.45 17.03 3hg5 n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hg5 h ARG 38 N -1.85 0.00 -6.15 0.00 2.47 -1.90 0.26 114.38 107.20 3hg5 h ARG 38 Ca -0.59 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 57.52 3hg5 h ARG 38 Cb 1.38 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.56 3hg5 h ARG 38 CO 0.69 0.21 -0.73 0.95 0.56 0.00 0.00 179.97 181.64 3hg5 s THR 39 N -4.40 2.49 0.24 2.04 -4.23 -1.26 -4.35 115.64 106.16 3hg5 s THR 39 Ca -0.03 -2.33 -0.31 0.00 -1.18 0.00 0.00 61.69 57.84 3hg5 s THR 39 Cb 0.15 -2.41 -0.14 0.00 1.34 0.00 0.00 72.50 71.43 3hg5 s THR 39 CO 0.67 -0.35 1.33 -2.65 -0.54 0.00 0.00 174.62 173.08 3hg5 n PRO 40 N -0.68 1.84 -1.79 3.99 -0.02 -1.26 -4.89 135.00 132.20 3hg5 n PRO 40 Ca -0.05 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 3hg5 n PRO 40 Cb 0.61 -2.26 -0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3hg5 n PRO 40 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hg5 s THR 41 N -0.21 2.02 -0.06 3.45 2.01 -1.26 -4.72 115.64 116.87 3hg5 s THR 41 Ca 0.68 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.74 3hg5 s THR 41 Cb -0.68 -3.01 -0.00 0.00 0.01 0.00 0.00 72.50 68.81 3hg5 s THR 41 CO 0.52 0.00 -0.20 -0.04 -0.69 0.00 0.00 174.62 174.21 3hg5 s MET 42 N -2.08 2.22 0.00 4.92 -1.94 -1.26 0.31 119.30 121.47 3hg5 s MET 42 Ca 0.53 -0.71 0.00 0.00 -1.71 0.00 0.00 55.69 53.80 3hg5 s MET 42 Cb -0.47 -1.83 0.00 0.00 2.01 0.00 0.00 34.83 34.54 3hg5 s MET 42 CO 0.63 0.23 0.00 0.41 -0.01 0.00 0.00 175.02 176.29 3hg5 n GLY 43 N 3.27 1.01 3.03 -0.03 0.00 0.21 -1.53 105.19 111.15 3hg5 n GLY 43 Ca -0.19 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 3hg5 n GLY 43 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hg5 s TRP 44 N -1.78 1.10 -0.02 1.61 -0.00 0.33 -0.38 118.94 119.81 3hg5 s TRP 44 Ca 0.00 -0.28 0.01 0.00 -0.00 0.00 0.00 56.10 55.84 3hg5 s TRP 44 Cb 0.00 -0.77 0.01 0.00 -0.00 0.00 0.00 33.47 32.71 3hg5 s TRP 44 CO 0.00 -0.10 -0.05 -1.17 -0.00 0.00 0.00 176.95 175.63 3hg5 s LEU 45 N 0.12 1.66 0.46 5.86 2.96 0.62 -0.01 118.68 130.35 3hg5 s LEU 45 Ca -0.02 -0.10 0.26 0.00 -0.22 0.00 0.00 54.13 54.05 3hg5 s LEU 45 Cb -0.09 -0.34 0.81 0.00 0.50 0.00 0.00 46.19 47.07 3hg5 s LEU 45 CO 0.01 0.01 1.78 1.12 -1.32 0.00 0.00 176.35 177.94 3hg5 h HIS 46 N 6.58 0.00 0.25 5.38 2.07 -1.82 -3.36 115.15 124.24 3hg5 h HIS 46 Ca -0.34 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.19 3hg5 h HIS 46 Cb 1.17 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.11 3hg5 h HIS 46 CO 0.45 0.10 -0.47 2.35 -3.07 0.00 0.00 177.93 177.29 3hg5 h TRP 47 N 0.00 -1.33 -0.39 6.12 2.91 -1.89 -0.72 115.95 120.65 3hg5 h TRP 47 Ca -0.00 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.02 3hg5 h TRP 47 Cb 0.81 0.55 -0.02 0.00 -0.51 0.00 0.00 29.16 29.99 3hg5 h TRP 47 CO 0.00 -0.59 0.15 1.49 -1.03 0.00 0.00 178.44 178.46 3hg5 h GLU 48 N -0.79 0.58 0.18 2.65 4.22 -1.89 0.30 114.58 119.82 3hg5 h GLU 48 Ca -0.01 -0.11 -0.30 0.00 0.08 0.00 0.00 59.36 59.02 3hg5 h GLU 48 Cb 0.76 -0.09 0.03 0.00 0.50 0.00 0.00 28.75 29.95 3hg5 h GLU 48 CO -0.19 0.56 -1.29 -0.09 -2.18 0.00 0.00 179.01 175.82 3hg5 h ARG 49 N 0.48 0.56 0.00 1.92 9.65 -1.75 -3.40 114.38 121.84 3hg5 h ARG 49 Ca 0.13 -0.84 -0.13 0.00 -1.10 0.00 0.00 59.98 58.04 3hg5 h ARG 49 Cb 0.20 0.29 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 3hg5 h ARG 49 CO -0.01 1.39 -1.84 1.19 2.80 0.00 0.00 179.97 183.50 3hg5 n PHE 50 N -3.81 0.00 -4.72 2.20 3.72 -0.28 -5.05 117.46 109.52 3hg5 n PHE 50 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3hg5 n PHE 50 Cb 1.01 -0.52 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 3hg5 n PHE 50 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3hg5 n MET 51 N -2.28 0.00 -2.32 -1.08 2.81 0.10 -3.33 117.12 111.03 3hg5 n MET 51 Ca -0.13 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.44 3hg5 n MET 51 Cb 0.68 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 33.20 3hg5 n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hg5 s ASN 53 N -2.56 6.32 0.00 0.00 3.84 -1.21 -4.84 114.94 116.50 3hg5 s ASN 53 Ca 0.49 0.35 0.21 0.00 0.21 0.00 0.00 52.86 54.13 3hg5 s ASN 53 Cb 0.40 -2.55 0.20 0.00 -0.55 0.00 0.00 41.25 38.75 3hg5 s ASN 53 CO -0.27 -1.54 1.19 0.18 -2.79 0.00 0.00 177.10 173.88 3hg5 n LEU 54 N 8.89 2.84 -3.82 3.21 4.77 -1.26 -0.10 117.00 131.53 3hg5 n LEU 54 Ca 0.12 -1.09 -0.42 0.00 -0.03 0.00 0.00 56.01 54.59 3hg5 n LEU 54 Cb 0.49 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3hg5 n LEU 54 CO 0.71 0.51 2.32 -0.67 -1.33 0.00 0.00 177.39 178.94 3hg5 n ASP 55 N 1.20 4.46 0.14 -1.43 2.03 -1.26 -4.73 116.55 116.97 3hg5 n ASP 55 Ca 0.13 -2.97 0.13 0.00 0.52 0.00 0.00 54.79 52.60 3hg5 n ASP 55 Cb 0.53 -1.58 0.47 0.00 -0.72 0.00 0.00 41.12 39.83 3hg5 n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hg5 h GLN 57 N 0.00 0.17 0.07 0.00 -0.00 -1.97 -2.84 115.11 110.54 3hg5 h GLN 57 Ca 0.00 -0.22 -0.29 0.00 -0.00 0.00 0.00 58.65 58.14 3hg5 h GLN 57 Cb 0.50 0.07 -0.02 0.00 0.00 0.00 0.00 27.48 28.03 3hg5 h GLN 57 CO 0.00 1.02 -1.51 0.93 0.00 0.00 0.00 178.83 179.26 3hg5 h GLU 58 N -0.58 0.14 -2.11 1.69 4.39 -1.97 -3.41 114.58 112.73 3hg5 h GLU 58 Ca -0.05 -0.24 -0.56 0.00 0.34 0.00 0.00 59.36 58.85 3hg5 h GLU 58 Cb 1.15 0.09 -0.41 0.00 -0.10 0.00 0.00 28.75 29.49 3hg5 h GLU 58 CO 0.06 0.94 -0.89 0.39 -1.16 0.00 0.00 179.01 178.35 3hg5 n GLU 59 N -3.33 1.82 0.32 2.33 1.02 -0.21 -4.94 120.64 117.64 3hg5 n GLU 59 Ca -0.15 -4.01 0.19 0.00 -0.02 0.00 0.00 57.16 53.18 3hg5 n GLU 59 Cb 1.03 -1.83 1.08 0.00 -0.02 0.00 0.00 31.44 31.69 3hg5 n GLU 59 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3hg5 h PRO 60 N 3.58 0.00 -0.01 3.49 0.13 -1.67 -1.62 132.00 135.91 3hg5 h PRO 60 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3hg5 h PRO 60 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3hg5 h PRO 60 CO 0.65 0.00 -0.64 -0.25 -0.23 0.00 0.00 178.00 177.53 3hg5 n ASP 61 N -3.44 1.33 0.00 1.44 8.00 -1.26 -4.32 116.55 118.30 3hg5 n ASP 61 Ca -0.03 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.38 3hg5 n ASP 61 Cb 0.08 0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 3hg5 n ASP 61 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3hg5 n SER 62 N -0.83 0.36 -4.74 -2.24 3.41 -1.02 -4.91 113.62 103.66 3hg5 n SER 62 Ca 0.07 -0.70 -0.31 0.00 -0.26 0.00 0.00 58.87 57.67 3hg5 n SER 62 Cb 0.39 0.29 0.11 0.00 -0.26 0.00 0.00 64.21 64.74 3hg5 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hg5 s ILE 64 N -2.86 3.82 0.09 0.00 -1.09 0.85 -4.70 121.20 117.31 3hg5 s ILE 64 Ca 0.62 0.60 -0.09 0.00 -2.23 0.00 0.00 60.65 59.55 3hg5 s ILE 64 Cb -0.18 -4.77 0.00 0.00 -1.58 0.00 0.00 42.46 35.93 3hg5 s ILE 64 CO 0.57 -1.58 0.21 -0.94 -1.23 0.00 0.00 174.94 171.97 3hg5 s SER 65 N 3.70 0.09 0.27 3.58 1.04 -1.26 -4.87 113.70 116.24 3hg5 s SER 65 Ca 0.41 -0.64 -0.03 0.00 0.48 0.00 0.00 55.95 56.17 3hg5 s SER 65 Cb -0.08 0.35 0.57 0.00 0.10 0.00 0.00 66.02 66.96 3hg5 s SER 65 CO 0.20 -0.75 1.64 -0.08 0.98 0.00 0.00 173.24 175.23 3hg5 h GLU 66 N 2.71 0.15 -0.35 4.02 4.81 -1.32 -2.35 114.58 122.25 3hg5 h GLU 66 Ca -0.34 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.92 3hg5 h GLU 66 Cb 1.21 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 3hg5 h GLU 66 CO 0.55 0.10 0.13 -0.22 -0.73 0.00 0.00 179.01 178.84 3hg5 h LYS 67 N 0.16 0.28 -0.63 1.92 3.64 -1.95 -0.90 116.57 119.08 3hg5 h LYS 67 Ca 0.48 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.95 3hg5 h LYS 67 Cb 0.91 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.58 3hg5 h LYS 67 CO -0.66 0.18 0.22 1.25 -2.27 0.00 0.00 179.45 178.17 3hg5 h LEU 68 N 0.29 0.19 -0.93 5.20 5.85 -1.71 0.15 115.31 124.35 3hg5 h LEU 68 Ca 0.16 0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 3hg5 h LEU 68 Cb 0.12 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3hg5 h LEU 68 CO -0.15 0.10 -0.52 -0.26 -0.34 0.00 0.00 178.44 177.27 3hg5 h PHE 69 N 0.38 0.00 -0.44 1.25 0.04 -1.27 -2.36 116.94 114.54 3hg5 h PHE 69 Ca 0.33 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.95 3hg5 h PHE 69 Cb 0.44 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 3hg5 h PHE 69 CO -0.19 0.52 -0.31 0.52 -0.60 0.00 0.00 178.31 178.26 3hg5 h MET 70 N 0.00 0.98 -0.42 1.51 2.86 -0.32 -2.00 114.93 117.54 3hg5 h MET 70 Ca -0.01 -0.47 -0.03 0.00 -2.06 0.00 0.00 59.70 57.14 3hg5 h MET 70 Cb 0.95 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 3hg5 h MET 70 CO 0.07 1.14 0.15 0.93 1.06 0.00 0.00 176.91 180.26 3hg5 h GLU 71 N 0.82 0.64 -0.47 1.72 5.08 -0.76 -2.18 114.58 119.43 3hg5 h GLU 71 Ca 0.09 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3hg5 h GLU 71 Cb 0.90 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 3hg5 h GLU 71 CO 0.08 0.61 0.06 0.52 -1.00 0.00 0.00 179.01 179.28 3hg5 h MET 72 N 0.54 0.79 -0.50 2.33 2.86 -1.47 -2.52 114.93 116.98 3hg5 h MET 72 Ca 0.14 -0.22 0.06 0.00 -2.06 0.00 0.00 59.70 57.62 3hg5 h MET 72 Cb 0.22 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 3hg5 h MET 72 CO -0.01 0.82 0.19 0.00 1.06 0.00 0.00 176.91 178.96 3hg5 h ALA 73 N 0.95 0.61 -0.80 6.32 0.00 -1.22 0.15 119.26 125.27 3hg5 h ALA 73 Ca 0.14 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3hg5 h ALA 73 Cb 0.42 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3hg5 h ALA 73 CO 0.01 -0.20 0.48 0.93 0.00 0.00 0.00 179.25 180.47 3hg5 h GLU 74 N 0.37 1.10 0.00 0.00 5.08 -1.33 -2.82 114.58 116.98 3hg5 h GLU 74 Ca 0.24 -0.10 -0.17 0.00 -1.00 0.00 0.00 59.36 58.32 3hg5 h GLU 74 Cb 0.24 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3hg5 h GLU 74 CO -0.23 0.78 -0.80 -0.07 -1.00 0.00 0.00 179.01 177.69 3hg5 h LEU 75 N 1.10 0.00 -0.75 1.33 3.38 -0.97 -0.80 115.31 118.61 3hg5 h LEU 75 Ca 0.29 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.26 3hg5 h LEU 75 Cb -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3hg5 h LEU 75 CO -0.05 0.80 0.49 0.24 0.09 0.00 0.00 178.44 180.00 3hg5 h MET 76 N 0.00 0.99 0.25 1.13 2.86 -0.57 0.14 114.93 119.73 3hg5 h MET 76 Ca -0.01 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3hg5 h MET 76 Cb 1.41 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.85 3hg5 h MET 76 CO 0.10 0.66 -0.12 0.28 1.06 0.00 0.00 176.91 178.89 3hg5 h VAL 77 N 1.01 0.73 0.00 -2.22 2.07 -1.45 0.04 116.25 116.43 3hg5 h VAL 77 Ca 0.27 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3hg5 h VAL 77 Cb -0.11 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3hg5 h VAL 77 CO -0.06 0.15 0.00 0.77 0.02 0.00 0.00 177.57 178.45 3hg5 h SER 78 N -0.80 0.00 -0.40 0.57 4.64 -0.99 -3.13 113.55 113.43 3hg5 h SER 78 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3hg5 h SER 78 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3hg5 h SER 78 CO 0.06 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.40 3hg5 n GLU 79 N -2.94 3.31 -1.02 4.77 -0.58 0.47 -4.97 120.64 119.69 3hg5 n GLU 79 Ca 0.04 -2.70 -0.01 0.00 -0.42 0.00 0.00 57.16 54.07 3hg5 n GLU 79 Cb 0.47 -1.76 -0.00 0.00 -0.57 0.00 0.00 31.44 29.58 3hg5 n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hg5 n GLY 80 N 0.23 0.47 0.17 0.62 0.00 -1.19 -4.93 105.19 100.56 3hg5 n GLY 80 Ca 0.21 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 3hg5 n GLY 80 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3hg5 h TRP 81 N 0.00 0.58 -0.36 1.61 4.06 -1.58 -2.56 115.95 117.71 3hg5 h TRP 81 Ca -0.01 -0.14 -0.01 0.00 2.06 0.00 0.00 58.89 60.78 3hg5 h TRP 81 Cb 0.16 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.17 3hg5 h TRP 81 CO 0.09 0.77 0.18 -0.22 -3.56 0.00 0.00 178.44 175.70 3hg5 h LYS 82 N 0.23 0.51 -0.20 0.49 3.64 -1.07 -1.65 116.57 118.51 3hg5 h LYS 82 Ca 0.06 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3hg5 h LYS 82 Cb 0.61 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3hg5 h LYS 82 CO 0.03 0.45 0.17 -0.44 -2.27 0.00 0.00 179.45 177.39 3hg5 h ASP 83 N 0.44 0.00 0.62 4.20 3.32 -1.80 -1.41 116.42 121.79 3hg5 h ASP 83 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3hg5 h ASP 83 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3hg5 h ASP 83 CO -0.02 0.00 -0.45 0.00 -1.72 0.00 0.00 179.24 177.05 3hg5 n ALA 84 N -2.45 3.30 0.00 3.45 0.00 -0.91 -4.94 120.51 118.96 3hg5 n ALA 84 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3hg5 n ALA 84 Cb 0.31 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3hg5 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hg5 n GLY 85 N 1.48 1.50 3.56 0.00 0.00 -0.53 -5.05 105.19 106.14 3hg5 n GLY 85 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3hg5 n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hg5 s TYR 86 N -1.57 1.94 -0.08 1.61 2.02 -0.67 -4.56 117.35 116.04 3hg5 s TYR 86 Ca 0.00 0.49 0.06 0.00 -0.37 0.00 0.00 57.07 57.24 3hg5 s TYR 86 Cb 0.00 -4.30 -0.09 0.00 -0.40 0.00 0.00 41.96 37.18 3hg5 s TYR 86 CO 0.00 -2.21 0.00 -1.91 -1.57 0.00 0.00 175.55 169.86 3hg5 n GLU 87 N 9.14 2.22 -3.30 -0.62 4.07 -0.58 -3.58 120.64 127.99 3hg5 n GLU 87 Ca 0.14 0.01 -0.41 0.00 -0.06 0.00 0.00 57.16 56.84 3hg5 n GLU 87 Cb 0.51 -1.20 -0.08 0.00 -0.06 0.00 0.00 31.44 30.60 3hg5 n GLU 87 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 3hg5 s TYR 88 N -2.19 3.18 -0.41 4.31 2.02 -0.93 -1.04 117.35 122.30 3hg5 s TYR 88 Ca -0.06 0.02 -0.21 0.00 -0.37 0.00 0.00 57.07 56.45 3hg5 s TYR 88 Cb 0.03 -2.86 0.02 0.00 -0.40 0.00 0.00 41.96 38.74 3hg5 s TYR 88 CO 0.30 -0.55 0.67 -1.17 -1.57 0.00 0.00 175.55 173.23 3hg5 s LEU 89 N 2.26 4.36 -0.12 -1.29 2.96 0.67 -0.51 118.68 127.00 3hg5 s LEU 89 Ca 0.16 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 3hg5 s LEU 89 Cb -0.16 -2.80 -0.01 0.00 0.50 0.00 0.00 46.19 43.72 3hg5 s LEU 89 CO 0.13 -0.74 -0.15 0.00 -1.32 0.00 0.00 176.35 174.28 3hg5 s ILE 91 N 0.33 5.02 0.00 0.00 1.01 0.49 -2.96 121.20 125.08 3hg5 s ILE 91 Ca -0.12 1.52 0.00 0.00 0.00 0.00 0.00 60.65 62.05 3hg5 s ILE 91 Cb -0.16 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.23 3hg5 s ILE 91 CO 0.06 0.24 0.00 -0.67 0.00 0.00 0.00 174.94 174.58 3hg5 n ASP 92 N 3.76 0.00 -4.72 3.58 -0.08 -1.26 -3.01 116.55 114.82 3hg5 n ASP 92 Ca -0.00 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.97 3hg5 n ASP 92 Cb 0.51 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.10 3hg5 n ASP 92 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3hg5 s ASP 93 N -1.00 3.65 -0.14 1.67 -1.08 -1.26 -4.25 116.67 114.25 3hg5 s ASP 93 Ca 0.00 1.86 -0.00 0.00 -0.52 0.00 0.00 52.55 53.89 3hg5 s ASP 93 Cb 0.00 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 3hg5 s ASP 93 CO 0.00 -2.59 0.02 0.00 0.52 0.00 0.00 175.17 173.12 3hg5 n TRP 95 N -3.79 0.24 -2.48 0.00 4.27 -1.26 -4.90 117.44 109.52 3hg5 n TRP 95 Ca -0.02 0.07 -0.36 0.00 -3.89 0.00 0.00 57.50 53.30 3hg5 n TRP 95 Cb 0.51 -0.72 -0.03 0.00 -1.36 0.00 0.00 31.31 29.71 3hg5 n TRP 95 CO 0.00 0.00 0.00 -1.64 -2.29 0.00 0.00 177.69 173.76 3hg5 s MET 96 N -3.25 4.03 0.63 -2.67 -1.94 -1.26 -0.94 119.30 113.89 3hg5 s MET 96 Ca -0.07 1.55 -0.17 0.00 -1.71 0.00 0.00 55.69 55.29 3hg5 s MET 96 Cb 0.11 -2.46 -0.02 0.00 2.01 0.00 0.00 34.83 34.48 3hg5 s MET 96 CO 0.87 -0.27 1.17 0.00 -0.01 0.00 0.00 175.02 176.78 3hg5 s ALA 97 N -1.67 2.47 0.62 3.03 0.00 0.11 -4.16 121.76 122.15 3hg5 s ALA 97 Ca 0.60 0.85 0.31 0.00 0.00 0.00 0.00 51.96 53.72 3hg5 s ALA 97 Cb -0.23 -3.41 1.71 0.00 0.00 0.00 0.00 23.12 21.19 3hg5 s ALA 97 CO 0.28 -1.26 2.05 -1.35 0.00 0.00 0.00 175.76 175.49 3hg5 h PRO 98 N 0.52 0.00 -4.20 0.00 0.11 -1.95 -3.43 132.00 123.05 3hg5 h PRO 98 Ca -0.49 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 3hg5 h PRO 98 Cb 1.28 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.25 3hg5 h PRO 98 CO 0.54 0.00 -0.55 -1.14 -0.21 0.00 0.00 178.00 176.64 3hg5 s GLN 99 N -4.45 0.92 0.87 1.05 0.74 -1.26 -4.50 119.66 113.03 3hg5 s GLN 99 Ca -0.04 -1.29 -0.11 0.00 0.05 0.00 0.00 55.36 53.96 3hg5 s GLN 99 Cb 0.13 0.28 0.12 0.00 1.10 0.00 0.00 33.01 34.64 3hg5 s GLN 99 CO 0.47 -0.27 1.09 1.03 -0.55 0.00 0.00 175.29 177.05 3hg5 s ARG 100 N -3.99 1.43 0.61 1.67 0.52 -1.26 -4.55 118.95 113.39 3hg5 s ARG 100 Ca 0.18 0.81 -0.10 0.00 -0.52 0.00 0.00 55.73 56.09 3hg5 s ARG 100 Cb 0.06 -1.83 0.14 0.00 0.52 0.00 0.00 34.95 33.84 3hg5 s ARG 100 CO -0.02 -2.12 0.83 -0.40 0.02 0.00 0.00 175.30 173.62 3hg5 n ASP 101 N -3.80 0.05 0.00 0.23 5.68 0.30 -4.85 116.55 114.17 3hg5 n ASP 101 Ca 0.07 -1.30 0.19 0.00 -0.50 0.00 0.00 54.79 53.25 3hg5 n ASP 101 Cb 0.55 -0.64 0.66 0.00 -1.14 0.00 0.00 41.12 40.56 3hg5 n ASP 101 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3hg5 h SER 102 N -1.10 0.05 -0.68 -1.12 4.64 -1.97 -0.93 113.55 112.43 3hg5 h SER 102 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3hg5 h SER 102 Cb 0.74 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3hg5 h SER 102 CO 0.19 0.03 0.00 -0.62 -0.87 0.00 0.00 176.83 175.56 3hg5 n GLU 103 N -4.40 2.79 -1.59 4.77 -0.58 -1.26 -4.93 120.64 115.43 3hg5 n GLU 103 Ca 0.09 -2.54 -0.05 0.00 -0.42 0.00 0.00 57.16 54.24 3hg5 n GLU 103 Cb 0.55 -1.60 -0.01 0.00 -0.57 0.00 0.00 31.44 29.81 3hg5 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hg5 n GLY 104 N 1.52 0.49 3.83 0.62 0.00 -0.35 -5.04 105.19 106.25 3hg5 n GLY 104 Ca 0.23 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 3hg5 n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hg5 s ARG 105 N -3.27 3.11 0.45 1.61 0.52 -1.26 -4.81 118.95 115.30 3hg5 s ARG 105 Ca 0.00 -0.58 -0.25 0.00 -0.52 0.00 0.00 55.73 54.37 3hg5 s ARG 105 Cb 0.00 -2.86 -0.08 0.00 0.52 0.00 0.00 34.95 32.53 3hg5 s ARG 105 CO 0.00 0.59 1.44 -0.51 0.02 0.00 0.00 175.30 176.84 3hg5 s LEU 106 N -2.41 4.12 0.03 2.53 1.43 -1.26 -0.54 118.68 122.58 3hg5 s LEU 106 Ca 0.31 2.96 0.02 0.00 -1.03 0.00 0.00 54.13 56.39 3hg5 s LEU 106 Cb -0.12 -3.91 -0.02 0.00 0.03 0.00 0.00 46.19 42.17 3hg5 s LEU 106 CO 0.24 -1.18 -0.06 0.00 0.23 0.00 0.00 176.35 175.58 3hg5 s GLN 107 N -2.43 0.45 0.53 1.70 -2.07 -1.26 -4.81 119.66 111.76 3hg5 s GLN 107 Ca 0.61 -0.55 -0.19 0.00 -1.82 0.00 0.00 55.36 53.40 3hg5 s GLN 107 Cb -0.45 -0.26 -0.07 0.00 -1.09 0.00 0.00 33.01 31.15 3hg5 s GLN 107 CO 0.58 0.05 1.07 0.00 -1.32 0.00 0.00 175.29 175.67 3hg5 s ALA 108 N -0.99 2.78 0.16 2.60 0.00 -1.26 0.06 121.76 125.11 3hg5 s ALA 108 Ca -0.07 0.65 -0.34 0.00 0.00 0.00 0.00 51.96 52.20 3hg5 s ALA 108 Cb -0.07 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 19.62 3hg5 s ALA 108 CO 0.00 -0.57 1.58 -3.47 0.00 0.00 0.00 175.76 173.30 3hg5 n ASP 109 N -1.27 3.10 0.03 0.00 2.03 -0.12 -4.12 116.55 116.20 3hg5 n ASP 109 Ca 0.10 1.08 -0.02 0.00 0.52 0.00 0.00 54.79 56.48 3hg5 n ASP 109 Cb 0.52 -1.43 0.26 0.00 -0.72 0.00 0.00 41.12 39.75 3hg5 n ASP 109 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hg5 h PRO 110 N 5.94 0.44 0.19 -0.67 0.13 -1.92 0.18 132.00 136.28 3hg5 h PRO 110 Ca -0.45 -0.14 -0.32 0.00 -0.87 0.00 0.00 66.00 64.22 3hg5 h PRO 110 Cb 1.25 -0.04 0.02 0.00 0.13 0.00 0.00 31.00 32.36 3hg5 h PRO 110 CO 0.89 0.61 -1.50 1.96 -0.23 0.00 0.00 178.00 179.72 3hg5 h GLN 111 N 0.40 0.40 0.00 0.86 7.50 -1.95 -3.10 115.11 119.23 3hg5 h GLN 111 Ca 0.07 -0.68 -0.21 0.00 0.50 0.00 0.00 58.65 58.32 3hg5 h GLN 111 Cb 0.54 0.25 -0.04 0.00 0.05 0.00 0.00 27.48 28.29 3hg5 h GLN 111 CO 0.04 1.31 -1.41 0.00 -1.50 0.00 0.00 178.83 177.26 3hg5 h ARG 112 N 0.11 0.00 -2.18 1.46 3.08 -1.89 -3.37 114.38 111.58 3hg5 h ARG 112 Ca -0.25 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.23 3hg5 h ARG 112 Cb 2.09 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 31.72 3hg5 h ARG 112 CO 0.22 0.44 -0.78 1.19 -1.07 0.00 0.00 179.97 179.97 3hg5 n PHE 113 N -3.01 2.83 -0.12 3.04 3.72 0.61 -0.77 117.46 123.76 3hg5 n PHE 113 Ca -0.11 -3.96 0.12 0.00 -0.05 0.00 0.00 57.45 53.45 3hg5 n PHE 113 Cb 0.92 -0.48 0.48 0.00 -0.94 0.00 0.00 39.48 39.46 3hg5 n PHE 113 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hg5 h PRO 114 N 3.37 0.44 0.00 -1.08 0.13 -1.68 -1.76 132.00 131.42 3hg5 h PRO 114 Ca 0.14 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3hg5 h PRO 114 Cb 0.66 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.69 3hg5 h PRO 114 CO 0.73 0.29 -0.48 0.72 -0.23 0.00 0.00 178.00 179.04 3hg5 n HIS 115 N -4.48 0.21 0.00 1.56 8.25 -1.26 -5.01 115.22 114.49 3hg5 n HIS 115 Ca 0.11 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 3hg5 n HIS 115 Cb 0.40 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.08 3hg5 n HIS 115 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hg5 n GLY 116 N 1.44 -1.21 0.23 -1.41 0.00 -0.66 -4.29 105.19 99.29 3hg5 n GLY 116 Ca 0.05 -1.61 -0.17 0.00 0.00 0.00 0.00 46.02 44.29 3hg5 n GLY 116 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hg5 h ILE 117 N 0.00 1.27 -0.39 -0.61 1.08 -1.96 -2.31 117.51 114.60 3hg5 h ILE 117 Ca 0.00 -1.89 0.06 0.00 -0.39 0.00 0.00 64.86 62.64 3hg5 h ILE 117 Cb 0.00 1.87 -0.05 0.00 -3.07 0.00 0.00 36.82 35.57 3hg5 h ILE 117 CO 0.00 0.61 0.06 -0.09 -0.69 0.00 0.00 178.15 178.04 3hg5 h ARG 118 N 0.58 0.18 -0.84 2.37 2.43 -1.86 0.56 114.38 117.80 3hg5 h ARG 118 Ca -0.03 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3hg5 h ARG 118 Cb 1.33 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.79 3hg5 h ARG 118 CO 0.15 0.12 0.54 1.96 -1.51 0.00 0.00 179.97 181.23 3hg5 h GLN 119 N 0.19 1.03 -0.58 0.20 1.08 -1.74 0.78 115.11 116.07 3hg5 h GLN 119 Ca 0.19 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.29 3hg5 h GLN 119 Cb 0.23 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 3hg5 h GLN 119 CO -0.26 0.68 0.20 1.25 -0.95 0.00 0.00 178.83 179.75 3hg5 h LEU 120 N 1.06 0.84 -0.88 1.46 5.85 -0.57 -1.68 115.31 121.39 3hg5 h LEU 120 Ca 0.33 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3hg5 h LEU 120 Cb -0.01 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3hg5 h LEU 120 CO -0.11 0.81 0.33 0.00 -0.34 0.00 0.00 178.44 179.13 3hg5 h ALA 121 N 1.06 1.11 -0.19 1.25 0.00 0.48 -0.72 119.26 122.25 3hg5 h ALA 121 Ca 0.19 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3hg5 h ALA 121 Cb 0.26 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3hg5 h ALA 121 CO -0.01 0.64 -0.10 -0.91 0.00 0.00 0.00 179.25 178.88 3hg5 h ASN 122 N 1.12 -0.32 -0.10 0.00 -0.26 -0.56 -0.15 115.58 115.31 3hg5 h ASN 122 Ca 0.26 0.08 0.01 0.00 -0.56 0.00 0.00 56.30 56.09 3hg5 h ASN 122 Cb 0.18 0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 3hg5 h ASN 122 CO -0.02 -0.13 0.04 0.22 -1.06 0.00 0.00 177.43 176.48 3hg5 h TYR 123 N -0.08 0.07 -0.53 1.19 3.20 -0.90 -1.62 116.97 118.29 3hg5 h TYR 123 Ca 0.11 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3hg5 h TYR 123 Cb 0.23 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 3hg5 h TYR 123 CO -0.25 0.04 0.30 0.28 -1.64 0.00 0.00 178.16 176.88 3hg5 h VAL 124 N 0.09 1.18 -0.88 1.81 2.07 -0.98 -2.43 116.25 117.11 3hg5 h VAL 124 Ca 0.04 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.14 3hg5 h VAL 124 Cb 0.02 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 3hg5 h VAL 124 CO -0.04 0.19 0.58 0.45 0.02 0.00 0.00 177.57 178.76 3hg5 h HIS 125 N 0.72 1.08 0.00 1.57 3.86 -0.91 -1.58 115.15 119.90 3hg5 h HIS 125 Ca 0.19 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3hg5 h HIS 125 Cb 0.04 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 28.14 3hg5 h HIS 125 CO -0.02 0.66 -0.01 0.66 0.86 0.00 0.00 177.93 180.08 3hg5 h SER 126 N 1.15 0.00 -0.15 2.45 4.64 -0.81 0.84 113.55 121.67 3hg5 h SER 126 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3hg5 h SER 126 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3hg5 h SER 126 CO -0.08 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.18 3hg5 n LYS 127 N -3.12 1.64 -1.31 4.77 4.76 -0.77 -4.93 118.16 119.20 3hg5 n LYS 127 Ca -0.01 -0.97 -0.09 0.00 -2.87 0.00 0.00 58.31 54.37 3hg5 n LYS 127 Cb 0.22 -1.38 -0.04 0.00 -1.84 0.00 0.00 35.03 31.99 3hg5 n LYS 127 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hg5 n GLY 128 N 1.09 1.02 3.89 0.72 0.00 0.29 -4.91 105.19 107.29 3hg5 n GLY 128 Ca 0.16 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 3hg5 n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg5 s LEU 129 N -2.10 2.86 0.09 0.99 1.43 -0.67 -5.00 118.68 116.28 3hg5 s LEU 129 Ca 0.00 -1.14 0.09 0.00 -1.03 0.00 0.00 54.13 52.05 3hg5 s LEU 129 Cb 0.00 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 3hg5 s LEU 129 CO 0.00 -0.99 -0.24 -0.54 0.23 0.00 0.00 176.35 174.81 3hg5 s LYS 130 N -4.23 1.37 -0.24 1.70 1.02 -0.20 -3.70 119.74 115.45 3hg5 s LYS 130 Ca 0.38 -1.18 -0.10 0.00 0.02 0.00 0.00 55.97 55.09 3hg5 s LYS 130 Cb -0.02 -1.67 -0.04 0.00 -0.52 0.00 0.00 37.83 35.58 3hg5 s LYS 130 CO 0.23 0.40 0.13 -1.17 -0.92 0.00 0.00 175.35 174.03 3hg5 s LEU 131 N -1.72 3.93 -0.01 3.17 2.96 -1.26 -0.24 118.68 125.50 3hg5 s LEU 131 Ca 0.10 0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 3hg5 s LEU 131 Cb -0.10 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 3hg5 s LEU 131 CO 0.04 0.04 0.17 -0.83 -1.32 0.00 0.00 176.35 174.45 3hg5 s GLY 132 N 1.20 2.16 0.40 7.98 0.00 0.17 -0.09 107.32 119.14 3hg5 s GLY 132 Ca 0.06 -0.77 0.04 0.00 0.00 0.00 0.00 44.72 44.06 3hg5 s GLY 132 CO 0.05 -0.65 0.16 -1.50 0.00 0.00 0.00 173.10 171.16 3hg5 s ILE 133 N -1.30 0.47 -0.02 0.90 2.07 0.22 -0.38 121.20 123.15 3hg5 s ILE 133 Ca 0.26 -2.00 0.03 0.00 -1.41 0.00 0.00 60.65 57.53 3hg5 s ILE 133 Cb -0.13 -2.35 -0.00 0.00 0.13 0.00 0.00 42.46 40.11 3hg5 s ILE 133 CO 0.18 0.00 -0.10 -0.47 -1.91 0.00 0.00 174.94 172.64 3hg5 s TYR 134 N -3.25 0.97 0.24 3.50 5.04 -1.16 -0.56 117.35 122.13 3hg5 s TYR 134 Ca 0.26 -0.22 0.02 0.00 -2.44 0.00 0.00 57.07 54.70 3hg5 s TYR 134 Cb 0.02 -0.66 -0.01 0.00 0.35 0.00 0.00 41.96 41.67 3hg5 s TYR 134 CO 0.17 -0.06 0.27 0.00 -1.34 0.00 0.00 175.55 174.58 3hg5 n ALA 135 N 3.06 0.16 -2.84 3.97 0.00 0.19 -4.93 120.51 120.12 3hg5 n ALA 135 Ca -0.16 -1.27 -0.13 0.00 0.00 0.00 0.00 53.44 51.88 3hg5 n ALA 135 Cb 0.55 1.03 -0.14 0.00 0.00 0.00 0.00 19.45 20.89 3hg5 n ALA 135 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hg5 s ASP 136 N -2.59 0.29 0.36 0.00 2.15 -1.26 -0.46 116.67 115.16 3hg5 s ASP 136 Ca 0.25 -0.10 0.17 0.00 0.43 0.00 0.00 52.55 53.30 3hg5 s ASP 136 Cb 0.00 -0.02 0.63 0.00 -0.30 0.00 0.00 42.92 43.23 3hg5 s ASP 136 CO 0.18 -0.01 1.71 1.62 -0.17 0.00 0.00 175.17 178.50 3hg5 h VAL 137 N 5.03 0.98 -1.41 1.11 3.04 -1.19 -1.10 116.25 122.71 3hg5 h VAL 137 Ca -0.27 -1.61 0.00 0.00 -1.01 0.00 0.00 66.70 63.81 3hg5 h VAL 137 Cb 1.20 1.96 0.00 0.00 -2.01 0.00 0.00 31.29 32.44 3hg5 h VAL 137 CO 0.49 0.40 0.00 0.61 -1.01 0.00 0.00 177.57 178.07 3hg5 n GLY 138 N 0.22 0.57 0.17 3.17 0.00 -1.22 -3.48 105.19 104.62 3hg5 n GLY 138 Ca -0.00 -1.75 0.09 0.00 0.00 0.00 0.00 46.02 44.35 3hg5 n GLY 138 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hg5 h ASN 139 N 0.00 0.00 -5.10 1.61 2.35 -1.13 -2.02 115.58 111.28 3hg5 h ASN 139 Ca 0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 3hg5 h ASN 139 Cb 0.00 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.20 3hg5 h ASN 139 CO 0.00 0.14 -0.57 -0.54 -1.65 0.00 0.00 177.43 174.81 3hg5 s LYS 140 N -3.18 0.57 0.94 0.81 1.02 -1.26 -2.15 119.74 116.49 3hg5 s LYS 140 Ca 0.04 -0.82 -0.12 0.00 0.02 0.00 0.00 55.97 55.09 3hg5 s LYS 140 Cb 0.07 0.22 0.16 0.00 -0.52 0.00 0.00 37.83 37.75 3hg5 s LYS 140 CO 0.72 -0.13 1.09 0.95 -0.92 0.00 0.00 175.35 177.06 3hg5 s THR 141 N -2.74 2.47 0.50 2.17 -4.23 0.24 -4.38 115.64 109.67 3hg5 s THR 141 Ca -0.04 0.15 0.20 0.00 -1.18 0.00 0.00 61.69 60.82 3hg5 s THR 141 Cb -0.00 -2.55 0.26 0.00 1.34 0.00 0.00 72.50 71.54 3hg5 s THR 141 CO -0.05 -0.20 2.11 0.00 -0.54 0.00 0.00 174.62 175.93 3hg5 n ALA 143 N -2.45 2.86 0.00 0.00 0.00 -1.26 -4.94 120.51 114.72 3hg5 n ALA 143 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3hg5 n ALA 143 Cb 0.16 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3hg5 n ALA 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hg5 n GLY 144 N 1.36 1.08 3.97 0.00 0.00 0.05 -5.07 105.19 106.59 3hg5 n GLY 144 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 3hg5 n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hg5 s PHE 145 N -2.00 1.88 0.02 1.61 0.08 -1.26 -4.76 117.98 113.56 3hg5 s PHE 145 Ca 0.00 -0.07 -0.35 0.00 0.12 0.00 0.00 56.93 56.63 3hg5 s PHE 145 Cb 0.00 -3.16 -0.13 0.00 -0.57 0.00 0.00 43.02 39.16 3hg5 s PHE 145 CO 0.00 -1.73 1.69 -2.30 -0.10 0.00 0.00 175.22 172.79 3hg5 n PRO 146 N -2.93 2.00 -2.21 0.24 -0.02 -1.26 -0.59 135.00 130.22 3hg5 n PRO 146 Ca 0.13 0.73 -0.27 0.00 -2.02 0.00 0.00 63.50 62.07 3hg5 n PRO 146 Cb 0.60 -2.51 0.05 0.00 -0.02 0.00 0.00 33.50 31.63 3hg5 n PRO 146 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3hg5 s GLY 147 N 2.36 1.64 0.00 -1.23 0.00 -0.92 -4.27 107.32 104.91 3hg5 s GLY 147 Ca 0.86 -0.76 0.22 0.00 0.00 0.00 0.00 44.72 45.05 3hg5 s GLY 147 CO 0.46 -0.39 1.03 1.44 0.00 0.00 0.00 173.10 175.64 3hg5 n SER 148 N -2.84 1.31 -4.68 1.64 7.64 -0.41 -4.82 113.62 111.46 3hg5 n SER 148 Ca 0.07 -1.12 -0.47 0.00 1.01 0.00 0.00 58.87 58.36 3hg5 n SER 148 Cb 0.59 0.74 -0.04 0.00 -1.01 0.00 0.00 64.21 64.49 3hg5 n SER 148 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3hg5 n PHE 149 N -0.97 2.36 -0.31 1.43 7.35 -0.80 -0.35 117.46 126.17 3hg5 n PHE 149 Ca 0.06 0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 3hg5 n PHE 149 Cb 0.38 -2.65 0.00 0.00 0.35 0.00 0.00 39.48 37.56 3hg5 n PHE 149 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hg5 n GLY 150 N 4.11 0.81 0.19 7.13 0.00 -1.26 -4.88 105.19 111.29 3hg5 n GLY 150 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.24 3hg5 n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hg5 n TYR 151 N -2.00 0.00 -0.24 1.61 4.01 0.52 -4.94 117.16 116.12 3hg5 n TYR 151 Ca 0.00 -0.19 0.03 0.00 -0.16 0.00 0.00 57.90 57.58 3hg5 n TYR 151 Cb 0.00 -0.04 0.16 0.00 -0.31 0.00 0.00 39.34 39.15 3hg5 n TYR 151 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3hg5 h TYR 152 N 0.00 0.50 -0.15 -0.72 0.05 -1.86 0.31 116.97 115.10 3hg5 h TYR 152 Ca 0.00 0.03 -0.20 0.00 0.05 0.00 0.00 58.73 58.61 3hg5 h TYR 152 Cb 1.08 -0.11 0.01 0.00 1.01 0.00 0.00 36.73 38.72 3hg5 h TYR 152 CO 0.04 0.09 -0.69 -0.44 -1.05 0.00 0.00 178.16 176.11 3hg5 h ASP 153 N 0.46 0.86 0.35 3.88 3.32 -1.92 -1.23 116.42 122.15 3hg5 h ASP 153 Ca 0.38 -0.63 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 3hg5 h ASP 153 Cb 0.53 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3hg5 h ASP 153 CO -0.36 1.35 -0.31 0.40 -1.72 0.00 0.00 179.24 178.60 3hg5 h ILE 154 N 0.43 0.36 -0.74 0.35 1.08 -1.77 -2.06 117.51 115.16 3hg5 h ILE 154 Ca -0.04 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.42 3hg5 h ILE 154 Cb 1.32 0.36 -0.04 0.00 -3.07 0.00 0.00 36.82 35.40 3hg5 h ILE 154 CO 0.14 0.00 0.46 0.44 -0.69 0.00 0.00 178.15 178.50 3hg5 h ASP 155 N -0.67 0.89 -0.80 1.72 3.45 -0.43 -0.72 116.42 119.86 3hg5 h ASP 155 Ca -0.03 -0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.38 3hg5 h ASP 155 Cb 0.59 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 39.10 3hg5 h ASP 155 CO -0.03 0.68 0.50 0.00 -1.57 0.00 0.00 179.24 178.82 3hg5 h ALA 156 N 1.24 1.02 -0.29 3.45 0.00 -1.19 -1.33 119.26 122.15 3hg5 h ALA 156 Ca 0.27 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 3hg5 h ALA 156 Cb -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3hg5 h ALA 156 CO -0.05 0.46 -0.54 0.37 0.00 0.00 0.00 179.25 179.48 3hg5 h GLN 157 N 1.09 0.87 -0.68 0.00 5.75 -0.82 -2.00 115.11 119.31 3hg5 h GLN 157 Ca 0.29 -0.55 -0.08 0.00 -0.15 0.00 0.00 58.65 58.16 3hg5 h GLN 157 Cb -0.08 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 3hg5 h GLN 157 CO -0.06 1.18 0.12 0.00 -2.65 0.00 0.00 178.83 177.43 3hg5 h THR 158 N 0.67 1.26 -0.26 2.39 1.03 -1.06 -0.38 112.91 116.56 3hg5 h THR 158 Ca 0.02 -1.03 0.05 0.00 -0.01 0.00 0.00 66.41 65.43 3hg5 h THR 158 Cb 1.15 0.61 -0.04 0.00 -1.07 0.00 0.00 68.15 68.79 3hg5 h THR 158 CO 0.12 0.39 -0.01 -0.26 -0.01 0.00 0.00 175.52 175.75 3hg5 h PHE 159 N 1.05 -0.04 -0.53 0.00 0.04 -1.16 0.99 116.94 117.30 3hg5 h PHE 159 Ca 0.21 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.97 3hg5 h PHE 159 Cb 0.43 0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 3hg5 h PHE 159 CO 0.03 -0.06 0.20 0.00 -0.60 0.00 0.00 178.31 177.89 3hg5 h ALA 160 N 1.23 0.69 -0.89 2.45 0.00 -1.20 -1.75 119.26 119.79 3hg5 h ALA 160 Ca 0.13 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hg5 h ALA 160 Cb 0.17 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3hg5 h ALA 160 CO -0.22 0.31 0.59 -0.44 0.00 0.00 0.00 179.25 179.49 3hg5 h ASP 161 N 0.72 1.00 0.56 0.00 3.32 -0.79 -0.93 116.42 120.30 3hg5 h ASP 161 Ca 0.17 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3hg5 h ASP 161 Cb 0.22 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3hg5 h ASP 161 CO -0.01 0.71 0.00 -0.50 -1.72 0.00 0.00 179.24 177.72 3hg5 h TRP 162 N 1.17 0.00 0.00 4.55 6.55 -0.53 -3.47 115.95 124.22 3hg5 h TRP 162 Ca 0.34 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.18 3hg5 h TRP 162 Cb -0.08 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.22 3hg5 h TRP 162 CO -0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 177.80 3hg5 n GLY 163 N -0.41 0.47 3.77 1.49 0.00 -0.35 -4.19 105.19 105.97 3hg5 n GLY 163 Ca 0.00 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 3hg5 n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hg5 s VAL 164 N -2.00 2.34 -0.14 1.61 1.01 -0.68 -4.74 120.40 117.79 3hg5 s VAL 164 Ca 0.00 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.33 3hg5 s VAL 164 Cb 0.00 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 33.15 3hg5 s VAL 164 CO 0.00 0.04 0.17 0.47 0.00 0.00 0.00 175.10 175.78 3hg5 n ASP 165 N -0.14 1.65 -3.73 3.32 8.00 0.88 -4.76 116.55 121.76 3hg5 n ASP 165 Ca 0.05 -0.37 -0.13 0.00 0.71 0.00 0.00 54.79 55.04 3hg5 n ASP 165 Cb 0.43 1.09 -0.10 0.00 -0.02 0.00 0.00 41.12 42.52 3hg5 n ASP 165 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hg5 s LEU 166 N -2.67 0.46 -0.14 0.64 0.20 -0.86 -1.18 118.68 115.13 3hg5 s LEU 166 Ca 0.00 0.76 0.00 0.00 0.69 0.00 0.00 54.13 55.58 3hg5 s LEU 166 Cb 0.04 1.40 0.02 0.00 -0.43 0.00 0.00 46.19 47.22 3hg5 s LEU 166 CO 0.20 -0.17 -0.13 -0.22 -0.29 0.00 0.00 176.35 175.74 3hg5 s LEU 167 N 0.07 1.59 -0.28 -0.68 2.96 0.84 -0.61 118.68 122.56 3hg5 s LEU 167 Ca -0.01 -0.45 -0.19 0.00 -0.22 0.00 0.00 54.13 53.26 3hg5 s LEU 167 Cb -0.03 -1.12 -0.02 0.00 0.50 0.00 0.00 46.19 45.52 3hg5 s LEU 167 CO 0.01 -0.07 0.55 -0.75 -1.32 0.00 0.00 176.35 174.78 3hg5 s LYS 168 N 1.52 3.98 -0.36 1.98 2.20 0.28 -0.43 119.74 128.92 3hg5 s LYS 168 Ca 0.05 0.28 -0.01 0.00 -0.36 0.00 0.00 55.97 55.93 3hg5 s LYS 168 Cb -0.13 -3.69 0.09 0.00 -1.51 0.00 0.00 37.83 32.59 3hg5 s LYS 168 CO -0.10 -0.44 0.10 0.12 -0.36 0.00 0.00 175.35 174.67 3hg5 s PHE 169 N 2.41 3.51 0.76 4.03 5.36 0.46 -0.64 117.98 133.86 3hg5 s PHE 169 Ca 0.22 -2.34 -0.07 0.00 -0.96 0.00 0.00 56.93 53.77 3hg5 s PHE 169 Cb -0.15 -2.77 0.10 0.00 -0.34 0.00 0.00 43.02 39.85 3hg5 s PHE 169 CO 0.10 -0.91 1.07 0.34 -1.46 0.00 0.00 175.22 174.36 3hg5 s ASP 170 N 1.45 4.43 -0.04 6.13 -1.08 0.40 -2.52 116.67 125.44 3hg5 s ASP 170 Ca 0.04 0.30 0.06 0.00 -0.52 0.00 0.00 52.55 52.42 3hg5 s ASP 170 Cb -0.21 -0.79 0.09 0.00 -1.46 0.00 0.00 42.92 40.55 3hg5 s ASP 170 CO -0.04 -1.85 1.04 0.61 0.52 0.00 0.00 175.17 175.45 3hg5 n GLY 171 N -3.07 3.44 3.76 2.66 0.00 -1.26 -0.71 105.19 110.01 3hg5 n GLY 171 Ca 0.10 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 3hg5 n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hg5 n TYR 173 N -3.05 -1.68 -4.04 0.00 4.01 -1.26 -3.40 117.16 107.74 3hg5 n TYR 173 Ca 0.10 0.76 -0.33 0.00 -0.16 0.00 0.00 57.90 58.27 3hg5 n TYR 173 Cb 0.52 -3.77 -0.15 0.00 -0.31 0.00 0.00 39.34 35.63 3hg5 n TYR 173 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hg5 n ASP 175 N 4.55 0.00 -3.63 0.00 5.75 -1.26 -4.83 116.55 117.13 3hg5 n ASP 175 Ca -0.16 -0.16 -0.11 0.00 -0.01 0.00 0.00 54.79 54.35 3hg5 n ASP 175 Cb 0.45 -0.27 -0.05 0.00 -1.03 0.00 0.00 41.12 40.22 3hg5 n ASP 175 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3hg5 s SER 176 N -2.54 -0.26 0.30 -1.12 1.04 -1.26 -5.05 113.70 104.82 3hg5 s SER 176 Ca 0.28 -0.26 0.07 0.00 0.48 0.00 0.00 55.95 56.51 3hg5 s SER 176 Cb 0.19 0.47 0.49 0.00 0.10 0.00 0.00 66.02 67.27 3hg5 s SER 176 CO 0.43 -0.83 1.73 -0.07 0.98 0.00 0.00 173.24 175.47 3hg5 h LEU 177 N 2.43 0.26 -0.23 2.42 3.38 -1.97 -1.93 115.31 119.67 3hg5 h LEU 177 Ca -0.34 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 3hg5 h LEU 177 Cb 1.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3hg5 h LEU 177 CO 0.46 0.62 -0.01 -0.08 0.09 0.00 0.00 178.44 179.52 3hg5 h GLU 178 N 0.22 0.41 -0.85 1.13 4.81 -1.99 -1.13 114.58 117.17 3hg5 h GLU 178 Ca 0.02 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3hg5 h GLU 178 Cb 0.76 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.05 3hg5 h GLU 178 CO 0.06 0.60 0.56 -0.91 -0.73 0.00 0.00 179.01 178.59 3hg5 h ASN 179 N 0.17 0.91 0.56 1.04 2.35 -1.96 0.68 115.58 119.32 3hg5 h ASN 179 Ca 0.06 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3hg5 h ASN 179 Cb 0.43 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.59 3hg5 h ASN 179 CO 0.01 0.62 -0.27 0.25 -1.65 0.00 0.00 177.43 176.40 3hg5 h LEU 180 N 1.05 -0.64 0.09 1.61 5.85 -1.06 -0.60 115.31 121.61 3hg5 h LEU 180 Ca 0.34 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 3hg5 h LEU 180 Cb 0.03 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3hg5 h LEU 180 CO -0.10 -0.44 -0.04 0.00 -0.34 0.00 0.00 178.44 177.52 3hg5 h ALA 181 N -0.33 -0.12 -0.93 1.25 0.00 -1.03 -2.18 119.26 115.93 3hg5 h ALA 181 Ca -0.08 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3hg5 h ALA 181 Cb 0.58 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3hg5 h ALA 181 CO 0.13 -0.51 0.60 -0.44 0.00 0.00 0.00 179.25 179.02 3hg5 h ASP 182 N -0.22 0.97 -0.29 0.00 3.32 -0.91 -1.37 116.42 117.93 3hg5 h ASP 182 Ca -0.01 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 3hg5 h ASP 182 Cb 0.18 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 3hg5 h ASP 182 CO 0.02 0.64 -0.30 1.23 -1.72 0.00 0.00 179.24 179.11 3hg5 h GLY 183 N 1.12 0.77 1.06 2.75 0.00 -1.03 0.20 103.07 107.95 3hg5 h GLY 183 Ca 0.39 -0.80 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 3hg5 h GLY 183 CO -0.15 0.72 0.20 -0.97 0.00 0.00 0.00 176.54 176.35 3hg5 h TYR 184 N 0.45 1.20 0.06 5.60 0.05 -1.22 -1.00 116.97 122.11 3hg5 h TYR 184 Ca 0.04 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 3hg5 h TYR 184 Cb 0.87 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 38.27 3hg5 h TYR 184 CO 0.07 0.95 -0.03 0.87 -1.05 0.00 0.00 178.16 178.98 3hg5 h LYS 185 N 1.09 -0.08 -0.01 4.88 1.57 -1.23 -2.35 116.57 120.43 3hg5 h LYS 185 Ca 0.23 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.05 3hg5 h LYS 185 Cb 0.34 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 3hg5 h LYS 185 CO -0.00 0.17 -0.23 1.25 -0.57 0.00 0.00 179.45 180.07 3hg5 h HIS 186 N -0.33 -0.62 -0.49 -1.35 2.76 -0.86 -1.64 115.15 112.63 3hg5 h HIS 186 Ca -0.01 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 3hg5 h HIS 186 Cb 0.29 0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 3hg5 h HIS 186 CO 0.01 -0.32 0.23 1.98 -1.30 0.00 0.00 177.93 178.53 3hg5 h MET 187 N -0.36 0.68 -0.40 5.26 1.85 -1.27 0.42 114.93 121.11 3hg5 h MET 187 Ca 0.06 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 3hg5 h MET 187 Cb 0.45 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.32 3hg5 h MET 187 CO -0.22 0.53 0.26 1.03 -0.40 0.00 0.00 176.91 178.11 3hg5 h SER 188 N 0.68 0.47 0.64 1.39 0.87 -0.80 -0.58 113.55 116.22 3hg5 h SER 188 Ca 0.17 -0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.54 3hg5 h SER 188 Cb 0.08 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3hg5 h SER 188 CO -0.02 0.35 -0.77 -0.07 -0.53 0.00 0.00 176.83 175.79 3hg5 h LEU 189 N 0.54 0.12 -0.62 2.23 3.38 -0.98 -2.83 115.31 117.16 3hg5 h LEU 189 Ca 0.15 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3hg5 h LEU 189 Cb -0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3hg5 h LEU 189 CO -0.03 0.85 -0.12 0.00 0.09 0.00 0.00 178.44 179.23 3hg5 h ALA 190 N 1.15 0.82 -0.35 1.53 0.00 -0.56 -1.60 119.26 120.25 3hg5 h ALA 190 Ca -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3hg5 h ALA 190 Cb 1.36 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3hg5 h ALA 190 CO 0.11 0.66 0.10 -0.07 0.00 0.00 0.00 179.25 180.04 3hg5 h LEU 191 N 0.86 0.52 -0.81 0.00 3.38 -1.12 -2.99 115.31 115.15 3hg5 h LEU 191 Ca 0.13 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.98 3hg5 h LEU 191 Cb 0.67 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 3hg5 h LEU 191 CO 0.05 0.60 0.46 -1.13 0.09 0.00 0.00 178.44 178.51 3hg5 h ASN 192 N 0.41 0.66 0.77 -0.43 -0.73 -1.27 -1.99 115.58 112.99 3hg5 h ASN 192 Ca 0.11 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.33 3hg5 h ASN 192 Cb 0.28 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.79 3hg5 h ASN 192 CO -0.00 0.38 0.00 0.03 -0.37 0.00 0.00 177.43 177.47 3hg5 h ARG 193 N 0.77 0.00 0.00 6.67 3.08 -1.18 -2.22 114.38 121.50 3hg5 h ARG 193 Ca 0.39 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.38 3hg5 h ARG 193 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3hg5 h ARG 193 CO -0.24 0.00 -0.27 1.79 -1.07 0.00 0.00 179.97 180.18 3hg5 h THR 194 N 0.00 0.82 0.00 2.04 1.35 -1.22 -3.47 112.91 112.44 3hg5 h THR 194 Ca 0.00 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 3hg5 h THR 194 Cb 0.39 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3hg5 h THR 194 CO 0.00 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 3hg5 n GLY 195 N -0.24 2.16 3.79 5.82 0.00 -0.84 -5.04 105.19 110.84 3hg5 n GLY 195 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3hg5 n GLY 195 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hg5 s ARG 196 N -0.44 4.39 -0.44 1.61 3.52 -1.26 -5.01 118.95 121.32 3hg5 s ARG 196 Ca 0.00 0.95 -0.28 0.00 -0.13 0.00 0.00 55.73 56.27 3hg5 s ARG 196 Cb 0.00 -3.27 -0.02 0.00 -1.56 0.00 0.00 34.95 30.11 3hg5 s ARG 196 CO 0.00 0.56 1.77 -1.12 -0.81 0.00 0.00 175.30 175.70 3hg5 s SER 197 N -0.96 5.73 -0.21 -2.12 0.01 -1.26 -4.83 113.70 110.07 3hg5 s SER 197 Ca 0.33 0.90 -0.01 0.00 1.31 0.00 0.00 55.95 58.48 3hg5 s SER 197 Cb -0.21 -2.53 0.06 0.00 0.21 0.00 0.00 66.02 63.55 3hg5 s SER 197 CO 0.22 -1.91 -0.02 -0.63 0.41 0.00 0.00 173.24 171.31 3hg5 s ILE 198 N 7.49 1.11 0.11 1.44 1.01 -1.26 -4.67 121.20 126.43 3hg5 s ILE 198 Ca 0.73 -0.87 -0.33 0.00 0.00 0.00 0.00 60.65 60.18 3hg5 s ILE 198 Cb -0.18 -1.43 -0.12 0.00 0.01 0.00 0.00 42.46 40.74 3hg5 s ILE 198 CO 0.29 -0.08 1.75 0.52 0.00 0.00 0.00 174.94 177.42 3hg5 n VAL 199 N 4.84 0.24 -3.67 2.92 0.31 -0.32 -4.81 118.33 117.83 3hg5 n VAL 199 Ca -0.11 -0.04 -0.39 0.00 -0.01 0.00 0.00 64.34 63.79 3hg5 n VAL 199 Cb 0.46 -1.88 -0.11 0.00 -0.91 0.00 0.00 33.84 31.39 3hg5 n VAL 199 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3hg5 s TYR 200 N 2.18 3.31 -0.26 3.52 5.04 -1.26 -0.11 117.35 129.76 3hg5 s TYR 200 Ca 0.82 -1.47 -0.11 0.00 -2.44 0.00 0.00 57.07 53.87 3hg5 s TYR 200 Cb -0.58 -2.63 -0.05 0.00 0.35 0.00 0.00 41.96 39.05 3hg5 s TYR 200 CO 0.39 -0.78 0.18 0.45 -1.34 0.00 0.00 175.55 174.45 3hg5 s SER 201 N 1.73 6.08 0.04 4.32 0.15 0.43 -0.97 113.70 125.48 3hg5 s SER 201 Ca 0.01 0.06 0.06 0.00 0.70 0.00 0.00 55.95 56.78 3hg5 s SER 201 Cb -0.21 -2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 61.95 3hg5 s SER 201 CO 0.03 0.00 -0.15 0.00 1.20 0.00 0.00 173.24 174.32 3hg5 n GLU 203 N 1.48 2.83 -0.28 0.00 1.02 -1.05 -0.43 120.64 124.22 3hg5 n GLU 203 Ca -0.16 -2.37 -0.11 0.00 -0.02 0.00 0.00 57.16 54.50 3hg5 n GLU 203 Cb 0.52 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.35 3hg5 n GLU 203 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3hg5 h TRP 204 N 1.71 -1.65 -0.89 -0.32 2.91 -1.82 -2.57 115.95 113.31 3hg5 h TRP 204 Ca 0.00 0.10 0.02 0.00 1.13 0.00 0.00 58.89 60.14 3hg5 h TRP 204 Cb 1.03 0.81 -0.05 0.00 -0.51 0.00 0.00 29.16 30.44 3hg5 h TRP 204 CO 0.32 -0.38 0.59 -1.00 -1.03 0.00 0.00 178.44 176.94 3hg5 h PRO 205 N -0.14 1.15 -0.72 2.65 0.13 -1.88 -2.63 132.00 130.55 3hg5 h PRO 205 Ca 0.11 -0.07 0.11 0.00 -0.87 0.00 0.00 66.00 65.29 3hg5 h PRO 205 Cb 0.44 -0.26 -0.08 0.00 0.13 0.00 0.00 31.00 31.23 3hg5 h PRO 205 CO -0.72 0.76 0.32 1.25 -0.23 0.00 0.00 178.00 179.38 3hg5 h LEU 206 N 1.18 0.37 0.00 1.56 5.85 -1.08 0.15 115.31 123.35 3hg5 h LEU 206 Ca 0.33 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.14 3hg5 h LEU 206 Cb -0.10 0.03 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3hg5 h LEU 206 CO -0.08 0.19 -0.28 1.88 -0.34 0.00 0.00 178.44 179.81 3hg5 h TYR 207 N 0.52 0.00 0.00 1.25 0.05 -1.34 -3.30 116.97 114.15 3hg5 h TYR 207 Ca 0.37 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.99 3hg5 h TYR 207 Cb 0.48 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.19 3hg5 h TYR 207 CO -0.13 0.00 -1.91 0.00 -1.05 0.00 0.00 178.16 175.07 3hg5 n MET 208 N -2.56 0.66 -0.31 4.88 0.00 -1.06 -4.52 117.12 114.21 3hg5 n MET 208 Ca 0.04 -0.00 0.15 0.00 0.00 0.00 0.00 57.70 57.89 3hg5 n MET 208 Cb 0.48 -1.62 0.33 0.00 0.00 0.00 0.00 33.22 32.41 3hg5 n MET 208 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 175.97 174.48 3hg5 h TRP 209 N 0.00 0.36 0.00 3.17 -0.00 -0.98 0.36 115.95 118.86 3hg5 h TRP 209 Ca -0.22 0.05 -0.00 0.00 -0.00 0.00 0.00 58.89 58.72 3hg5 h TRP 209 Cb 1.57 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.16 30.72 3hg5 h TRP 209 CO 0.00 -0.27 -0.00 -1.35 -0.00 0.00 0.00 178.44 176.82 3hg5 h PRO 210 N 0.17 0.00 0.00 0.49 0.11 -1.79 -3.34 132.00 127.63 3hg5 h PRO 210 Ca 0.60 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.50 3hg5 h PRO 210 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 3hg5 h PRO 210 CO -0.70 0.00 -1.69 1.19 -0.21 0.00 0.00 178.00 176.59 3hg5 n PHE 211 N -3.09 0.00 -4.01 0.65 3.72 -0.28 -5.06 117.46 109.39 3hg5 n PHE 211 Ca -0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.28 3hg5 n PHE 211 Cb 0.15 -0.45 -0.11 0.00 -0.94 0.00 0.00 39.48 38.13 3hg5 n PHE 211 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 3hg5 s GLN 212 N -2.23 0.38 0.03 -1.08 0.74 -0.04 -5.13 119.66 112.33 3hg5 s GLN 212 Ca -0.17 -0.65 -0.30 0.00 0.05 0.00 0.00 55.36 54.29 3hg5 s GLN 212 Cb 0.06 -0.04 -0.04 0.00 1.10 0.00 0.00 33.01 34.09 3hg5 s GLN 212 CO 0.23 -0.01 1.05 -1.59 -0.55 0.00 0.00 175.29 174.42 3hg5 s LYS 213 N -1.46 4.52 0.61 1.67 -2.85 -1.26 -3.39 119.74 117.59 3hg5 s LYS 213 Ca -0.13 1.54 -0.19 0.00 -1.00 0.00 0.00 55.97 56.19 3hg5 s LYS 213 Cb -0.10 -3.42 -0.03 0.00 -2.06 0.00 0.00 37.83 32.23 3hg5 s LYS 213 CO -0.00 -0.11 1.27 -2.14 0.10 0.00 0.00 175.35 174.47 3hg5 s PRO 214 N 0.97 2.79 -0.54 1.78 0.02 -1.26 -5.00 135.00 133.76 3hg5 s PRO 214 Ca 0.54 2.01 -0.17 0.00 0.02 0.00 0.00 61.00 63.40 3hg5 s PRO 214 Cb -0.24 -1.94 0.10 0.00 0.02 0.00 0.00 34.50 32.44 3hg5 s PRO 214 CO 0.29 -1.40 0.56 1.21 -0.33 0.00 0.00 177.00 177.32 3hg5 s ASN 215 N -1.39 6.18 0.34 2.53 3.84 -1.26 -4.95 114.94 120.23 3hg5 s ASN 215 Ca 0.79 -1.48 0.16 0.00 0.21 0.00 0.00 52.86 52.54 3hg5 s ASN 215 Cb -0.36 -2.24 0.58 0.00 -0.55 0.00 0.00 41.25 38.68 3hg5 s ASN 215 CO 0.39 -0.90 1.70 1.88 -2.79 0.00 0.00 177.10 177.37 3hg5 h TYR 216 N 8.97 0.00 -0.91 0.43 0.05 -1.94 -1.05 116.97 122.51 3hg5 h TYR 216 Ca -0.29 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.47 3hg5 h TYR 216 Cb 1.10 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.79 3hg5 h TYR 216 CO 0.75 0.45 0.50 1.15 -1.05 0.00 0.00 178.16 179.96 3hg5 h THR 217 N 0.00 1.26 -0.16 -2.88 2.02 -1.96 -0.47 112.91 110.72 3hg5 h THR 217 Ca -0.00 -0.64 -0.08 0.00 0.77 0.00 0.00 66.41 66.46 3hg5 h THR 217 Cb 0.95 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3hg5 h THR 217 CO 0.06 0.29 -0.20 -0.08 0.37 0.00 0.00 175.52 175.96 3hg5 h GLU 218 N 1.27 0.42 -0.25 6.66 4.81 -1.80 -2.81 114.58 122.87 3hg5 h GLU 218 Ca 0.32 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3hg5 h GLU 218 Cb 0.02 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3hg5 h GLU 218 CO -0.05 0.81 0.13 0.82 -0.73 0.00 0.00 179.01 180.00 3hg5 h ILE 219 N 0.05 1.13 -0.54 2.32 2.04 -1.12 -2.86 117.51 118.52 3hg5 h ILE 219 Ca 0.02 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.54 3hg5 h ILE 219 Cb 0.76 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3hg5 h ILE 219 CO 0.05 0.12 0.36 -0.09 0.00 0.00 0.00 178.15 178.59 3hg5 h ARG 220 N 0.29 0.71 -0.34 2.37 2.43 -1.15 -0.05 114.38 118.64 3hg5 h ARG 220 Ca 0.09 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.30 3hg5 h ARG 220 Cb 0.08 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3hg5 h ARG 220 CO -0.01 0.47 0.24 0.37 -1.51 0.00 0.00 179.97 179.53 3hg5 h GLN 221 N 0.73 0.08 0.00 0.20 4.15 -1.26 0.53 115.11 119.54 3hg5 h GLN 221 Ca 0.20 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.61 3hg5 h GLN 221 Cb -0.08 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.59 3hg5 h GLN 221 CO -0.04 0.05 -0.93 0.66 -1.93 0.00 0.00 178.83 176.64 3hg5 n TYR 222 N -4.45 0.00 -4.36 3.99 4.01 -0.66 -4.53 117.16 111.15 3hg5 n TYR 222 Ca 0.05 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.59 3hg5 n TYR 222 Cb 0.36 -0.11 -0.14 0.00 -0.31 0.00 0.00 39.34 39.15 3hg5 n TYR 222 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hg5 h ASN 224 N 5.14 0.40 -5.10 0.00 -0.26 -1.22 -1.98 115.58 112.56 3hg5 h ASN 224 Ca -0.36 -0.43 -0.03 0.00 -0.56 0.00 0.00 56.30 54.92 3hg5 h ASN 224 Cb 1.18 -0.13 -0.10 0.00 -1.06 0.00 0.00 38.32 38.21 3hg5 h ASN 224 CO 0.45 1.34 0.00 -1.38 -1.06 0.00 0.00 177.43 176.78 3hg5 s HIS 225 N -2.66 -0.06 -0.10 1.19 -3.43 -1.16 -1.59 115.29 107.48 3hg5 s HIS 225 Ca -0.04 -0.29 -0.05 0.00 -0.80 0.00 0.00 55.06 53.89 3hg5 s HIS 225 Cb 0.07 0.36 0.05 0.00 -1.43 0.00 0.00 32.58 31.63 3hg5 s HIS 225 CO 0.88 -0.92 0.22 1.67 -2.00 0.00 0.00 174.74 174.60 3hg5 s TRP 226 N -3.89 -0.30 -0.02 0.38 -2.14 -0.71 -0.52 118.94 111.75 3hg5 s TRP 226 Ca 0.10 0.73 -0.30 0.00 2.66 0.00 0.00 56.10 59.29 3hg5 s TRP 226 Cb -0.01 0.01 -0.04 0.00 -3.10 0.00 0.00 33.47 30.34 3hg5 s TRP 226 CO -0.02 -0.22 1.16 1.03 -2.66 0.00 0.00 176.95 176.23 3hg5 s ARG 227 N 1.31 4.40 -0.19 3.25 1.81 0.42 -0.42 118.95 129.54 3hg5 s ARG 227 Ca -0.09 1.64 0.16 0.00 -1.72 0.00 0.00 55.73 55.73 3hg5 s ARG 227 Cb -0.11 -3.49 -0.23 0.00 -0.45 0.00 0.00 34.95 30.67 3hg5 s ARG 227 CO -0.08 -0.34 0.06 0.09 -0.68 0.00 0.00 175.30 174.35 3hg5 n ASN 228 N 4.71 0.41 -4.22 0.23 3.02 -1.16 -2.37 115.26 115.89 3hg5 n ASN 228 Ca 0.10 -0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.52 3hg5 n ASN 228 Cb 0.47 0.93 -0.10 0.00 -0.61 0.00 0.00 39.78 40.47 3hg5 n ASN 228 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3hg5 s PHE 229 N -2.45 1.14 0.42 3.10 5.36 -1.26 -4.21 117.98 120.08 3hg5 s PHE 229 Ca -0.10 -1.08 -0.22 0.00 -0.96 0.00 0.00 56.93 54.57 3hg5 s PHE 229 Cb 0.06 -0.65 -0.12 0.00 -0.34 0.00 0.00 43.02 41.96 3hg5 s PHE 229 CO 0.76 -0.30 0.55 0.00 -1.46 0.00 0.00 175.22 174.78 3hg5 n ALA 230 N -0.22 -1.47 -1.51 11.12 0.00 -1.26 -4.84 120.51 122.33 3hg5 n ALA 230 Ca -0.06 0.16 -0.52 0.00 0.00 0.00 0.00 53.44 53.02 3hg5 n ALA 230 Cb 0.63 -1.78 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 3hg5 n ALA 230 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hg5 n ASP 231 N 1.26 0.24 -4.80 0.00 9.92 -1.26 -4.95 116.55 116.96 3hg5 n ASP 231 Ca 0.11 1.14 -0.33 0.00 -0.53 0.00 0.00 54.79 55.19 3hg5 n ASP 231 Cb 0.40 -1.06 -0.00 0.00 -0.64 0.00 0.00 41.12 39.82 3hg5 n ASP 231 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3hg5 s ILE 232 N -0.36 3.71 0.00 0.53 2.07 -1.26 -5.09 121.20 120.80 3hg5 s ILE 232 Ca 0.76 0.90 0.00 0.00 -1.41 0.00 0.00 60.65 60.90 3hg5 s ILE 232 Cb -1.00 -3.37 -0.00 0.00 0.13 0.00 0.00 42.46 38.22 3hg5 s ILE 232 CO 0.55 -0.39 0.00 -0.90 -1.91 0.00 0.00 174.94 172.29 3hg5 n ASP 233 N -1.69 0.77 -3.57 4.50 5.68 -1.26 -4.96 116.55 116.01 3hg5 n ASP 233 Ca 0.09 -1.00 -0.41 0.00 -0.50 0.00 0.00 54.79 52.97 3hg5 n ASP 233 Cb 0.52 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.50 3hg5 n ASP 233 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3hg5 n ASP 234 N -2.23 7.05 -3.74 -1.12 -0.08 -1.26 -4.84 116.55 110.33 3hg5 n ASP 234 Ca -0.00 -3.00 -0.13 0.00 -1.51 0.00 0.00 54.79 50.16 3hg5 n ASP 234 Cb 0.00 -1.46 -0.08 0.00 2.34 0.00 0.00 41.12 41.93 3hg5 n ASP 234 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3hg5 s SER 235 N 1.09 -0.19 0.20 1.67 1.04 -1.26 -3.94 113.70 112.31 3hg5 s SER 235 Ca 0.53 -0.01 -0.03 0.00 0.48 0.00 0.00 55.95 56.92 3hg5 s SER 235 Cb 0.16 0.35 0.15 0.00 0.10 0.00 0.00 66.02 66.78 3hg5 s SER 235 CO -0.06 -0.54 1.54 -0.25 0.98 0.00 0.00 173.24 174.91 3hg5 h TRP 236 N 3.49 0.71 -0.72 5.02 -0.00 -1.90 -2.82 115.95 119.72 3hg5 h TRP 236 Ca -0.31 -0.23 0.15 0.00 -0.00 0.00 0.00 58.89 58.51 3hg5 h TRP 236 Cb 1.19 -0.14 -0.10 0.00 -0.00 0.00 0.00 29.16 30.10 3hg5 h TRP 236 CO 0.48 0.94 0.22 -0.22 -0.00 0.00 0.00 178.44 179.86 3hg5 h LYS 237 N 0.46 0.32 0.03 2.65 3.64 -1.95 -1.26 116.57 120.45 3hg5 h LYS 237 Ca 0.03 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hg5 h LYS 237 Cb 1.00 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3hg5 h LYS 237 CO 0.09 0.21 -0.01 1.03 -2.27 0.00 0.00 179.45 178.50 3hg5 h SER 238 N 0.33 -0.03 -0.58 4.20 0.87 -1.86 -2.09 113.55 114.38 3hg5 h SER 238 Ca 0.40 -0.22 0.10 0.00 -1.23 0.00 0.00 61.79 60.85 3hg5 h SER 238 Cb 0.65 0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 62.54 3hg5 h SER 238 CO -0.46 0.20 0.14 0.40 -0.53 0.00 0.00 176.83 176.59 3hg5 h ILE 239 N -0.27 0.69 -0.50 2.23 1.08 -1.22 -1.83 117.51 117.69 3hg5 h ILE 239 Ca -0.00 -0.10 -0.00 0.00 -0.39 0.00 0.00 64.86 64.36 3hg5 h ILE 239 Cb 0.25 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 3hg5 h ILE 239 CO 0.01 0.05 0.29 0.11 -0.69 0.00 0.00 178.15 177.92 3hg5 h LYS 240 N 0.29 0.68 -0.10 2.37 1.57 -1.13 -0.78 116.57 119.46 3hg5 h LYS 240 Ca 0.30 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.89 3hg5 h LYS 240 Cb 0.42 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3hg5 h LYS 240 CO -0.36 0.51 -0.48 0.66 -0.57 0.00 0.00 179.45 179.21 3hg5 h SER 241 N 0.67 0.28 -0.19 0.86 4.64 -1.03 0.24 113.55 119.02 3hg5 h SER 241 Ca 0.18 -0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 3hg5 h SER 241 Cb 0.01 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 3hg5 h SER 241 CO -0.03 0.72 0.00 0.40 -0.87 0.00 0.00 176.83 177.05 3hg5 h ILE 242 N 0.21 1.25 -0.39 0.95 2.04 -1.14 -0.19 117.51 120.24 3hg5 h ILE 242 Ca 0.01 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 3hg5 h ILE 242 Cb 0.92 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 3hg5 h ILE 242 CO 0.08 0.26 0.24 -0.07 0.00 0.00 0.00 178.15 178.65 3hg5 h LEU 243 N 0.10 0.47 -0.48 1.44 3.38 -0.91 -2.02 115.31 117.29 3hg5 h LEU 243 Ca 0.06 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3hg5 h LEU 243 Cb 0.38 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3hg5 h LEU 243 CO 0.01 0.38 0.09 0.44 0.09 0.00 0.00 178.44 179.45 3hg5 h ASP 244 N 0.51 0.76 -0.63 -0.43 3.32 -0.47 -1.84 116.42 117.64 3hg5 h ASP 244 Ca 0.14 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 3hg5 h ASP 244 Cb -0.00 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3hg5 h ASP 244 CO -0.03 0.81 0.39 -0.25 -1.72 0.00 0.00 179.24 178.45 3hg5 h TRP 245 N 0.67 0.82 -0.74 4.55 7.01 -0.94 -1.59 115.95 125.74 3hg5 h TRP 245 Ca 0.15 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.09 3hg5 h TRP 245 Cb 0.37 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 27.13 3hg5 h TRP 245 CO 0.03 0.55 0.22 1.15 -2.79 0.00 0.00 178.44 177.60 3hg5 h THR 246 N 0.86 1.26 0.03 2.65 2.02 -1.16 -0.83 112.91 117.74 3hg5 h THR 246 Ca 0.23 -0.92 -0.22 0.00 0.77 0.00 0.00 66.41 66.27 3hg5 h THR 246 Cb -0.04 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3hg5 h THR 246 CO -0.04 0.36 -0.99 0.77 0.37 0.00 0.00 175.52 175.98 3hg5 h SER 247 N 1.10 0.26 -0.47 4.18 4.64 -1.17 -1.65 113.55 120.44 3hg5 h SER 247 Ca 0.24 -0.24 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3hg5 h SER 247 Cb 0.31 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3hg5 h SER 247 CO -0.01 1.10 -0.05 0.15 -0.87 0.00 0.00 176.83 177.16 3hg5 h PHE 248 N 0.08 0.99 -0.66 4.77 3.57 -1.16 -3.20 116.94 121.34 3hg5 h PHE 248 Ca -0.06 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.27 3hg5 h PHE 248 Cb 1.67 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 40.15 3hg5 h PHE 248 CO 0.03 0.92 0.00 0.09 -2.23 0.00 0.00 178.31 177.12 3hg5 n ASN 249 N -4.18 4.01 0.06 0.41 3.02 -0.33 -4.70 115.26 113.56 3hg5 n ASN 249 Ca 0.02 -2.16 0.01 0.00 -0.03 0.00 0.00 54.58 52.43 3hg5 n ASN 249 Cb 0.35 -0.50 0.35 0.00 -0.61 0.00 0.00 39.78 39.37 3hg5 n ASN 249 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 3hg5 h GLN 250 N 3.98 0.37 -0.54 3.52 3.07 -1.29 -1.51 115.11 122.71 3hg5 h GLN 250 Ca 0.00 -0.08 0.11 0.00 0.09 0.00 0.00 58.65 58.77 3hg5 h GLN 250 Cb 1.10 -0.05 -0.03 0.00 0.08 0.00 0.00 27.48 28.58 3hg5 h GLN 250 CO 0.08 0.45 0.37 1.49 0.09 0.00 0.00 178.83 181.32 3hg5 h GLU 251 N 0.36 0.23 0.00 0.06 4.22 -1.86 -1.46 114.58 116.13 3hg5 h GLU 251 Ca 0.08 -0.01 -0.19 0.00 0.08 0.00 0.00 59.36 59.31 3hg5 h GLU 251 Cb 0.35 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3hg5 h GLU 251 CO 0.02 0.15 -1.08 0.00 -2.18 0.00 0.00 179.01 175.92 3hg5 h ARG 252 N 0.24 0.00 0.00 1.92 3.08 -1.65 -3.42 114.38 114.55 3hg5 h ARG 252 Ca 0.25 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 3hg5 h ARG 252 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 3hg5 h ARG 252 CO -0.05 0.61 -1.21 0.44 -1.07 0.00 0.00 179.97 178.70 3hg5 n ILE 253 N -3.16 0.12 0.18 2.04 -5.35 -0.94 -4.78 119.36 107.47 3hg5 n ILE 253 Ca -0.05 -0.12 -0.14 0.00 -0.27 0.00 0.00 62.75 62.17 3hg5 n ILE 253 Cb 0.88 -0.26 -0.08 0.00 -1.74 0.00 0.00 39.64 38.44 3hg5 n ILE 253 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3hg5 h VAL 254 N 0.00 0.72 0.00 7.28 2.07 -1.54 -3.26 116.25 121.53 3hg5 h VAL 254 Ca -0.05 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3hg5 h VAL 254 Cb 0.70 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3hg5 h VAL 254 CO 0.00 0.03 -0.05 0.44 0.02 0.00 0.00 177.57 178.01 3hg5 h ASP 255 N -0.47 0.00 0.98 0.57 3.32 -1.87 -2.87 116.42 116.08 3hg5 h ASP 255 Ca -0.04 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.88 3hg5 h ASP 255 Cb 0.36 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3hg5 h ASP 255 CO 0.07 0.05 -0.61 1.62 -1.72 0.00 0.00 179.24 178.65 3hg5 h VAL 256 N 0.00 1.20 -4.03 -1.35 3.04 -1.86 -3.45 116.25 109.80 3hg5 h VAL 256 Ca -0.00 -2.27 -0.53 0.00 -1.01 0.00 0.00 66.70 62.89 3hg5 h VAL 256 Cb 0.65 2.31 0.10 0.00 -2.01 0.00 0.00 31.29 32.33 3hg5 h VAL 256 CO 0.01 0.60 0.53 0.00 -1.01 0.00 0.00 177.57 177.69 3hg5 s ALA 257 N -3.25 2.86 0.00 3.17 0.00 -1.08 -4.91 121.76 118.55 3hg5 s ALA 257 Ca 0.01 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.07 3hg5 s ALA 257 Cb 0.10 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3hg5 s ALA 257 CO 0.75 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3hg5 n GLY 258 N 0.56 0.85 3.67 0.00 0.00 -0.34 -4.64 105.19 105.29 3hg5 n GLY 258 Ca 0.09 -1.11 -0.56 0.00 0.00 0.00 0.00 46.02 44.44 3hg5 n GLY 258 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hg5 n PRO 259 N -0.78 1.12 -0.40 1.61 -0.02 -1.26 -0.62 135.00 134.65 3hg5 n PRO 259 Ca 0.00 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3hg5 n PRO 259 Cb 0.00 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3hg5 n PRO 259 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hg5 n GLY 260 N 3.67 0.94 3.15 -1.23 0.00 0.91 -4.85 105.19 107.78 3hg5 n GLY 260 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.30 3hg5 n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hg5 s GLY 261 N -1.63 -1.02 0.10 -0.02 0.00 0.21 -0.18 107.32 104.80 3hg5 s GLY 261 Ca 0.00 1.75 0.08 0.00 0.00 0.00 0.00 44.72 46.55 3hg5 s GLY 261 CO 0.00 3.47 -0.21 -0.98 0.00 0.00 0.00 173.10 175.37 3hg5 s TRP 262 N 2.86 1.82 0.25 1.90 0.52 -0.62 -1.19 118.94 124.48 3hg5 s TRP 262 Ca 0.18 -0.41 -0.30 0.00 0.02 0.00 0.00 56.10 55.59 3hg5 s TRP 262 Cb -0.14 -1.00 -0.09 0.00 -1.15 0.00 0.00 33.47 31.09 3hg5 s TRP 262 CO -0.21 0.21 1.08 -0.80 0.02 0.00 0.00 176.95 177.24 3hg5 s ASN 263 N -1.89 7.32 -0.32 2.95 0.01 -1.26 -1.73 114.94 120.02 3hg5 s ASN 263 Ca 0.07 2.19 0.01 0.00 -0.71 0.00 0.00 52.86 54.41 3hg5 s ASN 263 Cb -0.10 -2.62 0.08 0.00 0.41 0.00 0.00 41.25 39.02 3hg5 s ASN 263 CO 0.04 -0.12 0.03 -0.62 -1.51 0.00 0.00 177.10 174.92 3hg5 s ASP 264 N -0.76 4.83 0.00 -1.22 -1.08 0.44 -4.25 116.67 114.63 3hg5 s ASP 264 Ca 0.45 -1.67 0.13 0.00 -0.52 0.00 0.00 52.55 50.94 3hg5 s ASP 264 Cb -0.31 -1.68 0.43 0.00 -1.46 0.00 0.00 42.92 39.91 3hg5 s ASP 264 CO 0.38 -0.33 1.34 -0.81 0.52 0.00 0.00 175.17 176.27 3hg5 n PRO 265 N 4.48 1.76 0.00 4.34 -0.04 -1.26 -2.99 135.00 141.28 3hg5 n PRO 265 Ca -0.07 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 3hg5 n PRO 265 Cb 0.42 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 3hg5 n PRO 265 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3hg5 n ASP 266 N 0.42 0.00 -4.74 3.54 -0.08 -1.26 -4.84 116.55 109.59 3hg5 n ASP 266 Ca 0.13 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 53.01 3hg5 n ASP 266 Cb 0.29 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.77 3hg5 n ASP 266 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 3hg5 n MET 267 N -0.23 2.06 -2.09 -0.67 2.81 -1.26 -4.82 117.12 112.92 3hg5 n MET 267 Ca 0.00 0.74 -0.42 0.00 -1.81 0.00 0.00 57.70 56.21 3hg5 n MET 267 Cb 0.00 -2.56 -0.03 0.00 -0.71 0.00 0.00 33.22 29.93 3hg5 n MET 267 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3hg5 s LEU 268 N -2.54 4.34 -0.10 4.03 1.43 -0.59 -4.91 118.68 120.34 3hg5 s LEU 268 Ca 0.63 2.30 0.14 0.00 -1.03 0.00 0.00 54.13 56.17 3hg5 s LEU 268 Cb -0.46 -3.57 0.42 0.00 0.03 0.00 0.00 46.19 42.61 3hg5 s LEU 268 CO 0.56 -0.78 1.33 1.33 0.23 0.00 0.00 176.35 179.03 3hg5 n VAL 269 N 4.57 1.74 -1.91 -1.59 0.24 -1.26 -0.79 118.33 119.33 3hg5 n VAL 269 Ca 0.14 -1.53 -0.41 0.00 -2.04 0.00 0.00 64.34 60.50 3hg5 n VAL 269 Cb 0.42 0.06 -0.01 0.00 -1.47 0.00 0.00 33.84 32.84 3hg5 n VAL 269 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3hg5 s ILE 270 N -2.07 2.34 0.00 1.34 1.01 -1.26 -3.24 121.20 119.32 3hg5 s ILE 270 Ca 0.33 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.29 3hg5 s ILE 270 Cb 0.24 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.52 3hg5 s ILE 270 CO 0.11 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.72 3hg5 n GLY 271 N 1.41 0.44 0.00 6.18 0.00 -1.26 -4.79 105.19 107.17 3hg5 n GLY 271 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3hg5 n GLY 271 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hg5 n ASN 272 N 0.00 0.00 0.00 1.61 3.02 -1.20 -4.75 115.26 113.94 3hg5 n ASN 272 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3hg5 n ASN 272 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3hg5 n ASN 272 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3hg5 n PHE 273 N 0.00 0.00 1.04 3.10 3.72 -1.26 -4.86 117.46 119.20 3hg5 n PHE 273 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 3hg5 n PHE 273 Cb 0.00 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.58 3hg5 n PHE 273 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hg5 n GLY 274 N 2.01 -0.49 3.51 1.37 0.00 -1.25 -4.91 105.19 105.42 3hg5 n GLY 274 Ca 0.00 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 3hg5 n GLY 274 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg5 s LEU 275 N -2.69 3.22 0.87 0.99 1.43 -1.26 -4.28 118.68 116.95 3hg5 s LEU 275 Ca 0.15 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.03 3hg5 s LEU 275 Cb 0.18 -1.76 0.11 0.00 0.03 0.00 0.00 46.19 44.75 3hg5 s LEU 275 CO 0.67 0.21 1.09 -0.94 0.23 0.00 0.00 176.35 177.61 3hg5 s SER 276 N 0.14 3.66 0.19 2.29 1.04 -1.26 -4.78 113.70 114.98 3hg5 s SER 276 Ca -0.02 1.65 -0.13 0.00 0.48 0.00 0.00 55.95 57.94 3hg5 s SER 276 Cb -0.14 -2.32 0.22 0.00 0.10 0.00 0.00 66.02 63.88 3hg5 s SER 276 CO 0.03 -2.55 1.69 -0.25 0.98 0.00 0.00 173.24 173.14 3hg5 h TRP 277 N -1.48 0.02 -0.33 5.02 2.91 -1.99 -0.90 115.95 119.19 3hg5 h TRP 277 Ca -0.48 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 59.57 3hg5 h TRP 277 Cb 1.27 0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.97 3hg5 h TRP 277 CO 0.47 -0.10 0.16 -0.91 -1.03 0.00 0.00 178.44 177.04 3hg5 h ASN 278 N 0.15 0.40 0.56 2.65 2.35 -1.92 -1.46 115.58 118.31 3hg5 h ASN 278 Ca 0.27 -0.03 -0.17 0.00 -0.55 0.00 0.00 56.30 55.82 3hg5 h ASN 278 Cb 0.41 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3hg5 h ASN 278 CO -0.42 0.35 -0.77 1.56 -1.65 0.00 0.00 177.43 176.50 3hg5 h GLN 279 N 0.46 0.16 -0.50 0.81 4.20 -1.36 -1.79 115.11 117.09 3hg5 h GLN 279 Ca 0.12 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3hg5 h GLN 279 Cb 0.04 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3hg5 h GLN 279 CO -0.02 0.85 0.04 1.96 -0.67 0.00 0.00 178.83 180.99 3hg5 h GLN 280 N 0.10 0.85 -0.24 1.46 4.20 -0.75 -1.69 115.11 119.05 3hg5 h GLN 280 Ca -0.02 -0.25 0.04 0.00 0.06 0.00 0.00 58.65 58.48 3hg5 h GLN 280 Cb 1.34 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 29.00 3hg5 h GLN 280 CO 0.11 0.87 0.00 0.28 -0.67 0.00 0.00 178.83 179.42 3hg5 h VAL 281 N 0.72 0.83 -0.57 -0.54 2.07 -1.17 -1.00 116.25 116.59 3hg5 h VAL 281 Ca 0.15 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.69 3hg5 h VAL 281 Cb 0.45 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 3hg5 h VAL 281 CO 0.02 0.01 0.29 0.74 0.02 0.00 0.00 177.57 178.65 3hg5 h THR 282 N 0.08 0.94 -0.21 2.57 2.02 -1.18 -0.00 112.91 117.12 3hg5 h THR 282 Ca 0.11 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 3hg5 h THR 282 Cb 0.15 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3hg5 h THR 282 CO -0.19 0.10 0.12 -0.61 0.37 0.00 0.00 175.52 175.31 3hg5 h GLN 283 N 0.55 0.30 -0.12 6.66 4.15 -0.96 -1.08 115.11 124.60 3hg5 h GLN 283 Ca 0.26 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 3hg5 h GLN 283 Cb 0.17 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 3hg5 h GLN 283 CO -0.18 0.26 0.06 1.98 -1.93 0.00 0.00 178.83 179.02 3hg5 h MET 284 N 0.25 0.17 -0.30 1.69 4.05 -0.79 -1.03 114.93 118.98 3hg5 h MET 284 Ca 0.08 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 3hg5 h MET 284 Cb 0.04 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 3hg5 h MET 284 CO -0.01 0.21 0.19 0.00 0.23 0.00 0.00 176.91 177.53 3hg5 h ALA 285 N 0.95 0.38 0.00 0.39 0.00 -0.97 -2.62 119.26 117.39 3hg5 h ALA 285 Ca 0.04 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 3hg5 h ALA 285 Cb 0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hg5 h ALA 285 CO -0.01 -0.14 -0.86 -0.07 0.00 0.00 0.00 179.25 178.18 3hg5 h LEU 286 N 0.39 0.04 -1.43 0.00 -0.00 -1.12 -1.83 115.31 111.36 3hg5 h LEU 286 Ca 0.11 -0.04 -0.06 0.00 -0.00 0.00 0.00 57.88 57.89 3hg5 h LEU 286 Cb -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 3hg5 h LEU 286 CO -0.02 0.88 -0.28 -0.50 -0.00 0.00 0.00 178.44 178.51 3hg5 h TRP 287 N 0.02 0.00 0.10 1.13 -0.00 -1.17 -0.21 115.95 115.82 3hg5 h TRP 287 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.87 3hg5 h TRP 287 Cb 1.50 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.67 3hg5 h TRP 287 CO 0.01 0.28 -0.05 0.00 -0.00 0.00 0.00 178.44 178.67 3hg5 h ALA 288 N 1.72 -0.14 -0.90 1.49 0.00 -1.23 -2.16 119.26 118.04 3hg5 h ALA 288 Ca -0.00 -0.24 0.21 0.00 0.00 0.00 0.00 54.91 54.87 3hg5 h ALA 288 Cb 0.56 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.29 3hg5 h ALA 288 CO 0.04 -0.31 0.43 0.82 0.00 0.00 0.00 179.25 180.23 3hg5 h ILE 289 N -0.67 0.54 -0.00 0.00 1.08 -1.21 -2.48 117.51 114.77 3hg5 h ILE 289 Ca -0.01 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 3hg5 h ILE 289 Cb 0.52 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 3hg5 h ILE 289 CO 0.02 0.09 -0.03 0.23 -0.69 0.00 0.00 178.15 177.77 3hg5 n MET 290 N -4.98 0.68 -3.80 2.37 2.81 -0.10 -0.39 117.12 113.71 3hg5 n MET 290 Ca 0.21 -0.09 -0.25 0.00 -1.81 0.00 0.00 57.70 55.77 3hg5 n MET 290 Cb 0.61 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.64 3hg5 n MET 290 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hg5 n ALA 291 N -1.08 -2.11 -2.49 3.04 0.00 -0.93 -4.63 120.51 112.30 3hg5 n ALA 291 Ca 0.17 -0.22 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 3hg5 n ALA 291 Cb 0.22 -2.16 -0.06 0.00 0.00 0.00 0.00 19.45 17.45 3hg5 n ALA 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hg5 s ALA 292 N -3.76 3.66 0.47 0.00 0.00 -0.82 -4.60 121.76 116.71 3hg5 s ALA 292 Ca 0.09 -0.29 -0.24 0.00 0.00 0.00 0.00 51.96 51.52 3hg5 s ALA 292 Cb -0.03 -2.37 -0.08 0.00 0.00 0.00 0.00 23.12 20.64 3hg5 s ALA 292 CO 0.85 0.53 1.29 -2.30 0.00 0.00 0.00 175.76 176.13 3hg5 n PRO 293 N 0.78 1.84 -3.71 0.00 -0.02 -1.26 -4.79 135.00 127.83 3hg5 n PRO 293 Ca -0.06 0.66 -0.34 0.00 -2.02 0.00 0.00 63.50 61.74 3hg5 n PRO 293 Cb 0.52 -2.45 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 3hg5 n PRO 293 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hg5 s LEU 294 N -2.31 5.33 -0.52 2.45 1.43 0.15 -4.87 118.68 120.34 3hg5 s LEU 294 Ca 0.65 -3.62 -0.15 0.00 -1.03 0.00 0.00 54.13 49.98 3hg5 s LEU 294 Cb -0.47 -1.84 0.12 0.00 0.03 0.00 0.00 46.19 44.03 3hg5 s LEU 294 CO 0.55 -0.19 0.46 -0.36 0.23 0.00 0.00 176.35 177.04 3hg5 s PHE 295 N -1.17 3.27 0.28 0.29 0.40 -1.26 -0.62 117.98 119.17 3hg5 s PHE 295 Ca 0.25 -1.29 -0.30 0.00 -0.60 0.00 0.00 56.93 55.00 3hg5 s PHE 295 Cb -0.09 -3.65 -0.10 0.00 0.51 0.00 0.00 43.02 39.68 3hg5 s PHE 295 CO -0.12 -0.98 1.44 -1.64 0.70 0.00 0.00 175.22 174.62 3hg5 s MET 296 N 1.58 4.25 -0.34 0.44 -1.94 0.49 -1.54 119.30 122.25 3hg5 s MET 296 Ca 0.03 2.34 0.02 0.00 -1.71 0.00 0.00 55.69 56.37 3hg5 s MET 296 Cb -0.29 -3.08 0.10 0.00 2.01 0.00 0.00 34.83 33.57 3hg5 s MET 296 CO 0.03 -0.41 0.08 0.45 -0.01 0.00 0.00 175.02 175.16 3hg5 s SER 297 N 0.20 4.45 0.27 3.03 0.15 0.03 -0.28 113.70 121.55 3hg5 s SER 297 Ca 0.58 -2.02 -0.10 0.00 0.70 0.00 0.00 55.95 55.11 3hg5 s SER 297 Cb -0.42 -1.34 0.04 0.00 -1.71 0.00 0.00 66.02 62.59 3hg5 s SER 297 CO 0.47 -0.38 0.53 -0.46 1.20 0.00 0.00 173.24 174.59 3hg5 n ASN 298 N 4.40 -1.54 -4.28 5.45 0.23 -1.26 -4.36 115.26 113.90 3hg5 n ASN 298 Ca 0.02 -2.10 -0.40 0.00 -0.53 0.00 0.00 54.58 51.57 3hg5 n ASN 298 Cb 0.41 2.58 -0.10 0.00 -2.08 0.00 0.00 39.78 40.59 3hg5 n ASN 298 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3hg5 s ASP 299 N -2.42 5.67 0.30 0.53 -1.08 -1.26 -4.92 116.67 113.49 3hg5 s ASP 299 Ca 0.11 -1.50 0.24 0.00 -0.52 0.00 0.00 52.55 50.88 3hg5 s ASP 299 Cb -0.03 -2.00 1.10 0.00 -1.46 0.00 0.00 42.92 40.53 3hg5 s ASP 299 CO 0.08 -0.55 1.73 -0.07 0.52 0.00 0.00 175.17 176.88 3hg5 h LEU 300 N 8.43 0.00 0.00 -1.34 3.38 -1.98 -1.88 115.31 121.92 3hg5 h LEU 300 Ca -0.23 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 3hg5 h LEU 300 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 3hg5 h LEU 300 CO 0.77 0.00 -0.59 0.03 0.09 0.00 0.00 178.44 178.74 3hg5 h ARG 301 N 0.00 0.00 -2.54 1.13 3.08 -1.94 -3.40 114.38 110.72 3hg5 h ARG 301 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3hg5 h ARG 301 Cb 0.25 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.91 3hg5 h ARG 301 CO 0.00 0.50 -0.89 -1.01 -1.07 0.00 0.00 179.97 177.51 3hg5 s HIS 302 N -2.95 1.56 -0.03 3.04 3.76 -0.71 -5.09 115.29 114.87 3hg5 s HIS 302 Ca 0.03 -2.48 0.01 0.00 -0.15 0.00 0.00 55.06 52.48 3hg5 s HIS 302 Cb 0.08 -1.29 0.01 0.00 1.11 0.00 0.00 32.58 32.49 3hg5 s HIS 302 CO 0.75 -0.77 -0.04 -1.50 -0.85 0.00 0.00 174.74 172.33 3hg5 s ILE 303 N -0.15 0.44 0.51 0.60 2.07 -1.23 -4.65 121.20 118.80 3hg5 s ILE 303 Ca 0.30 -0.13 -0.21 0.00 -1.41 0.00 0.00 60.65 59.19 3hg5 s ILE 303 Cb -0.00 -0.45 -0.06 0.00 0.13 0.00 0.00 42.46 42.08 3hg5 s ILE 303 CO -0.17 0.18 1.17 -0.94 -1.91 0.00 0.00 174.94 173.26 3hg5 s SER 304 N 0.54 5.85 0.50 4.50 1.04 -1.26 -4.84 113.70 120.03 3hg5 s SER 304 Ca -0.07 2.29 0.16 0.00 0.48 0.00 0.00 55.95 58.82 3hg5 s SER 304 Cb -0.10 -2.60 1.23 0.00 0.10 0.00 0.00 66.02 64.65 3hg5 s SER 304 CO -0.00 -1.13 2.11 -0.65 0.98 0.00 0.00 173.24 174.55 3hg5 h PRO 305 N 1.59 0.08 0.47 4.02 0.11 -2.01 -0.50 132.00 135.76 3hg5 h PRO 305 Ca -0.50 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3hg5 h PRO 305 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hg5 h PRO 305 CO 0.58 0.05 -0.23 0.37 -0.21 0.00 0.00 178.00 178.57 3hg5 h GLN 306 N 0.08 -0.61 -0.37 1.05 4.15 -1.99 -1.37 115.11 116.05 3hg5 h GLN 306 Ca 0.06 0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.59 3hg5 h GLN 306 Cb 0.15 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 27.92 3hg5 h GLN 306 CO -0.01 -0.31 -0.01 0.00 -1.93 0.00 0.00 178.83 176.57 3hg5 h ALA 307 N -0.45 0.33 -0.52 3.38 0.00 -1.83 -2.06 119.26 118.11 3hg5 h ALA 307 Ca -0.06 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3hg5 h ALA 307 Cb 0.58 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 3hg5 h ALA 307 CO 0.11 -0.40 0.21 -0.22 0.00 0.00 0.00 179.25 178.95 3hg5 h LYS 308 N 0.09 0.40 -0.43 0.00 3.64 -1.11 -1.47 116.57 117.69 3hg5 h LYS 308 Ca 0.18 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3hg5 h LYS 308 Cb 0.25 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3hg5 h LYS 308 CO -0.31 0.26 -0.02 0.00 -2.27 0.00 0.00 179.45 177.11 3hg5 h ALA 309 N 1.33 1.15 0.23 5.00 0.00 -0.94 -1.47 119.26 124.56 3hg5 h ALA 309 Ca 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hg5 h ALA 309 Cb 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hg5 h ALA 309 CO -0.23 0.55 -0.11 1.25 0.00 0.00 0.00 179.25 180.71 3hg5 h LEU 310 N 0.67 -0.26 -2.42 0.00 5.85 -1.10 -2.25 115.31 115.79 3hg5 h LEU 310 Ca 0.13 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3hg5 h LEU 310 Cb 0.45 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 3hg5 h LEU 310 CO 0.02 0.04 0.04 -0.07 -0.34 0.00 0.00 178.44 178.14 3hg5 h LEU 311 N -0.58 0.00 -2.70 2.25 3.38 -1.18 -1.75 115.31 114.73 3hg5 h LEU 311 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hg5 h LEU 311 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hg5 h LEU 311 CO 0.05 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.58 3hg5 n GLN 312 N -3.84 2.68 -1.56 1.13 6.02 -0.56 -4.97 117.38 116.28 3hg5 n GLN 312 Ca -0.02 -2.42 -0.42 0.00 -0.01 0.00 0.00 57.00 54.13 3hg5 n GLN 312 Cb 0.13 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 3hg5 n GLN 312 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3hg5 n ASP 313 N 1.31 2.75 -0.04 1.08 -0.08 -0.66 -4.85 116.55 116.06 3hg5 n ASP 313 Ca 0.20 0.01 -0.08 0.00 -1.51 0.00 0.00 54.79 53.41 3hg5 n ASP 313 Cb 0.56 -1.51 -0.02 0.00 2.34 0.00 0.00 41.12 42.49 3hg5 n ASP 313 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 3hg5 h LYS 314 N 16.03 -0.08 -0.55 -0.67 3.64 -1.90 0.16 116.57 133.20 3hg5 h LYS 314 Ca -0.33 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.98 3hg5 h LYS 314 Cb 1.26 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 3hg5 h LYS 314 CO 1.04 -0.05 0.06 -0.44 -2.27 0.00 0.00 179.45 177.79 3hg5 h ASP 315 N -0.08 0.85 -0.14 4.20 3.32 -1.99 -0.20 116.42 122.39 3hg5 h ASP 315 Ca 0.11 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 56.83 3hg5 h ASP 315 Cb 0.25 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3hg5 h ASP 315 CO -0.26 0.88 -0.45 0.58 -1.72 0.00 0.00 179.24 178.27 3hg5 h VAL 316 N 0.84 1.35 -1.00 -1.35 2.07 -1.88 -2.78 116.25 113.51 3hg5 h VAL 316 Ca 0.17 -1.74 0.06 0.00 0.82 0.00 0.00 66.70 66.01 3hg5 h VAL 316 Cb 0.41 2.07 -0.06 0.00 -1.52 0.00 0.00 31.29 32.19 3hg5 h VAL 316 CO 0.01 0.53 0.65 0.40 0.02 0.00 0.00 177.57 179.18 3hg5 h ILE 317 N 0.18 1.11 -0.08 4.57 2.04 -0.85 -2.00 117.51 122.48 3hg5 h ILE 317 Ca -0.02 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 3hg5 h ILE 317 Cb 1.08 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3hg5 h ILE 317 CO 0.10 0.22 -0.12 0.00 0.00 0.00 0.00 178.15 178.34 3hg5 h ALA 318 N 1.44 1.65 0.10 1.87 0.00 -0.95 0.24 119.26 123.62 3hg5 h ALA 318 Ca 0.42 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3hg5 h ALA 318 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hg5 h ALA 318 CO -0.16 0.26 -0.05 0.82 0.00 0.00 0.00 179.25 180.12 3hg5 h ILE 319 N 0.11 1.09 -0.99 0.00 2.04 -1.10 -2.15 117.51 116.52 3hg5 h ILE 319 Ca 0.02 -0.78 0.11 0.00 1.00 0.00 0.00 64.86 65.21 3hg5 h ILE 319 Cb 0.30 1.58 -0.08 0.00 -0.74 0.00 0.00 36.82 37.88 3hg5 h ILE 319 CO 0.02 0.19 0.63 -1.13 0.00 0.00 0.00 178.15 177.85 3hg5 h ASN 320 N -0.50 0.93 -0.19 1.72 -0.73 -0.65 -1.88 115.58 114.27 3hg5 h ASN 320 Ca -0.01 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.19 3hg5 h ASN 320 Cb 0.41 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.85 3hg5 h ASN 320 CO 0.02 0.52 0.00 0.00 -0.37 0.00 0.00 177.43 177.61 3hg5 n GLN 321 N -4.58 1.72 -1.68 6.67 1.13 0.76 -4.56 117.38 116.84 3hg5 n GLN 321 Ca 0.18 -1.09 -0.56 0.00 -1.94 0.00 0.00 57.00 53.58 3hg5 n GLN 321 Cb 0.32 -1.37 -0.07 0.00 0.11 0.00 0.00 30.24 29.22 3hg5 n GLN 321 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3hg5 n ASP 322 N 0.32 2.14 0.13 1.08 2.03 -0.71 -4.82 116.55 116.72 3hg5 n ASP 322 Ca 0.15 1.09 0.15 0.00 0.52 0.00 0.00 54.79 56.70 3hg5 n ASP 322 Cb 0.32 -1.14 0.69 0.00 -0.72 0.00 0.00 41.12 40.26 3hg5 n ASP 322 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hg5 h PRO 323 N 6.43 0.00 -0.33 -0.67 0.13 -1.91 -0.19 132.00 135.45 3hg5 h PRO 323 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3hg5 h PRO 323 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 3hg5 h PRO 323 CO 0.91 0.00 0.20 1.25 -0.23 0.00 0.00 178.00 180.13 3hg5 h LEU 324 N 0.00 0.39 0.78 1.56 5.85 -1.94 -3.47 115.31 118.48 3hg5 h LEU 324 Ca 0.13 -0.02 -0.35 0.00 0.84 0.00 0.00 57.88 58.48 3hg5 h LEU 324 Cb 0.53 -0.10 0.05 0.00 0.37 0.00 0.00 40.66 41.52 3hg5 h LEU 324 CO -0.00 0.31 -0.53 0.61 -0.34 0.00 0.00 178.44 178.49 3hg5 n GLY 325 N -1.42 -0.36 3.60 3.75 0.00 -0.08 -4.69 105.19 105.98 3hg5 n GLY 325 Ca 0.02 0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3hg5 n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hg5 s LYS 326 N -5.54 3.95 0.29 1.61 1.02 -1.26 -3.63 119.74 116.18 3hg5 s LYS 326 Ca 0.26 -0.06 -0.29 0.00 0.02 0.00 0.00 55.97 55.91 3hg5 s LYS 326 Cb -0.12 -3.68 -0.10 0.00 -0.52 0.00 0.00 37.83 33.42 3hg5 s LYS 326 CO 0.33 -0.30 1.38 -1.14 -0.92 0.00 0.00 175.35 174.70 3hg5 s GLN 327 N 2.04 4.29 1.14 1.68 0.74 -1.26 -4.55 119.66 123.73 3hg5 s GLN 327 Ca 0.14 2.29 -0.19 0.00 0.05 0.00 0.00 55.36 57.64 3hg5 s GLN 327 Cb -0.16 -3.08 0.27 0.00 1.10 0.00 0.00 33.01 31.14 3hg5 s GLN 327 CO 0.10 -0.33 1.22 0.20 -0.55 0.00 0.00 175.29 175.93 3hg5 s GLY 328 N -0.05 1.69 0.19 2.59 0.00 0.47 -4.80 107.32 107.42 3hg5 s GLY 328 Ca 0.54 -1.19 -0.17 0.00 0.00 0.00 0.00 44.72 43.89 3hg5 s GLY 328 CO 0.49 -0.29 0.52 -2.52 0.00 0.00 0.00 173.10 171.30 3hg5 s TYR 329 N -3.43 -0.12 -0.17 1.90 -0.85 -0.30 -4.79 117.35 109.60 3hg5 s TYR 329 Ca 0.74 -0.22 -0.29 0.00 -0.52 0.00 0.00 57.07 56.78 3hg5 s TYR 329 Cb -0.05 0.39 -0.00 0.00 0.38 0.00 0.00 41.96 42.67 3hg5 s TYR 329 CO 0.55 -0.91 1.04 -1.14 -1.52 0.00 0.00 175.55 173.58 3hg5 s GLN 330 N -3.87 4.33 -0.14 -3.49 0.74 -1.26 -1.36 119.66 114.61 3hg5 s GLN 330 Ca 0.09 1.40 -0.22 0.00 0.05 0.00 0.00 55.36 56.68 3hg5 s GLN 330 Cb -0.01 -3.60 -0.25 0.00 1.10 0.00 0.00 33.01 30.25 3hg5 s GLN 330 CO -0.03 -0.50 0.56 1.25 -0.55 0.00 0.00 175.29 176.02 3hg5 h LEU 331 N 8.84 0.17 -7.99 3.68 5.85 0.50 -3.48 115.31 122.88 3hg5 h LEU 331 Ca -0.25 -0.81 -0.14 0.00 0.84 0.00 0.00 57.88 57.52 3hg5 h LEU 331 Cb 1.10 -0.05 -0.18 0.00 0.37 0.00 0.00 40.66 41.89 3hg5 h LEU 331 CO 0.93 1.37 -0.61 -0.13 -0.34 0.00 0.00 178.44 179.66 3hg5 s ARG 332 N -2.36 0.50 -0.11 1.25 0.52 -0.66 -4.97 118.95 113.13 3hg5 s ARG 332 Ca -0.21 -0.80 -0.11 0.00 -0.52 0.00 0.00 55.73 54.09 3hg5 s ARG 332 Cb 0.02 0.19 0.03 0.00 0.52 0.00 0.00 34.95 35.71 3hg5 s ARG 332 CO 0.70 -0.11 0.30 1.14 0.02 0.00 0.00 175.30 177.36 3hg5 s GLN 333 N -2.49 0.38 0.00 3.54 -2.07 -1.26 -0.21 119.66 117.55 3hg5 s GLN 333 Ca -0.06 0.36 0.00 0.00 -1.82 0.00 0.00 55.36 53.84 3hg5 s GLN 333 Cb -0.02 0.18 0.00 0.00 -1.09 0.00 0.00 33.01 32.08 3hg5 s GLN 333 CO -0.04 -0.05 0.00 0.41 -1.32 0.00 0.00 175.29 174.28 3hg5 n GLY 334 N 2.77 2.53 4.28 2.60 0.00 -0.73 -5.00 105.19 111.64 3hg5 n GLY 334 Ca -0.14 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 3hg5 n GLY 334 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hg5 n ASP 335 N 0.00 -2.06 -2.04 1.61 4.64 -1.26 -0.86 116.55 116.57 3hg5 n ASP 335 Ca 0.00 -1.10 -0.19 0.00 -1.38 0.00 0.00 54.79 52.12 3hg5 n ASP 335 Cb 0.00 -2.39 -0.04 0.00 -1.04 0.00 0.00 41.12 37.65 3hg5 n ASP 335 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 3hg5 n ASN 336 N -2.68 -5.37 -4.53 1.67 5.03 -1.26 -4.91 115.26 103.21 3hg5 n ASN 336 Ca -0.01 0.22 -0.30 0.00 0.87 0.00 0.00 54.58 55.35 3hg5 n ASN 336 Cb 0.53 -4.60 -0.11 0.00 -1.02 0.00 0.00 39.78 34.58 3hg5 n ASN 336 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3hg5 s PHE 337 N -2.83 2.66 0.01 3.10 0.40 -0.04 -0.03 117.98 121.25 3hg5 s PHE 337 Ca 0.00 -0.19 0.07 0.00 -0.60 0.00 0.00 56.93 56.20 3hg5 s PHE 337 Cb 0.00 -1.44 -0.02 0.00 0.51 0.00 0.00 43.02 42.07 3hg5 s PHE 337 CO 0.00 0.37 -0.21 -1.21 0.70 0.00 0.00 175.22 174.87 3hg5 s GLU 338 N -1.92 1.57 -0.14 0.44 2.02 -0.53 -1.77 118.70 118.38 3hg5 s GLU 338 Ca 0.18 -0.84 0.02 0.00 0.02 0.00 0.00 54.97 54.35 3hg5 s GLU 338 Cb -0.11 -1.60 -0.00 0.00 0.10 0.00 0.00 34.13 32.53 3hg5 s GLU 338 CO 0.10 0.42 -0.18 0.08 0.02 0.00 0.00 175.26 175.70 3hg5 s VAL 339 N -0.63 2.45 0.13 2.63 1.01 0.71 -1.15 120.40 125.54 3hg5 s VAL 339 Ca 0.08 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.30 3hg5 s VAL 339 Cb -0.08 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3hg5 s VAL 339 CO 0.00 0.53 -0.24 0.26 0.00 0.00 0.00 175.10 175.66 3hg5 s TRP 340 N 0.65 2.05 0.06 5.22 0.52 0.07 0.11 118.94 127.63 3hg5 s TRP 340 Ca -0.09 -0.40 -0.06 0.00 0.02 0.00 0.00 56.10 55.57 3hg5 s TRP 340 Cb -0.16 -1.10 -0.02 0.00 -1.15 0.00 0.00 33.47 31.04 3hg5 s TRP 340 CO 0.02 0.29 0.10 -1.83 0.02 0.00 0.00 176.95 175.56 3hg5 s GLU 341 N -2.09 0.71 -0.04 4.98 -1.05 -0.47 -0.53 118.70 120.21 3hg5 s GLU 341 Ca 0.11 -0.98 -0.01 0.00 -0.15 0.00 0.00 54.97 53.94 3hg5 s GLU 341 Cb -0.10 0.27 0.03 0.00 -0.44 0.00 0.00 34.13 33.90 3hg5 s GLU 341 CO 0.06 -0.19 0.07 0.50 0.95 0.00 0.00 175.26 176.65 3hg5 s ARG 342 N -3.56 -0.01 0.23 -4.83 3.52 -0.18 -1.14 118.95 112.98 3hg5 s ARG 342 Ca 0.03 0.29 -0.30 0.00 -0.13 0.00 0.00 55.73 55.62 3hg5 s ARG 342 Cb 0.04 -0.27 -0.09 0.00 -1.56 0.00 0.00 34.95 33.08 3hg5 s ARG 342 CO -0.09 -0.20 1.12 -1.25 -0.81 0.00 0.00 175.30 174.07 3hg5 s PRO 343 N 1.33 4.59 0.49 5.12 0.04 -1.26 -0.97 135.00 144.34 3hg5 s PRO 343 Ca -0.06 1.80 0.04 0.00 0.04 0.00 0.00 61.00 62.81 3hg5 s PRO 343 Cb -0.12 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 3hg5 s PRO 343 CO -0.04 0.10 0.09 -0.51 0.04 0.00 0.00 177.00 176.68 3hg5 s LEU 344 N -0.87 2.55 0.71 -3.56 1.43 0.60 -4.57 118.68 114.97 3hg5 s LEU 344 Ca 0.48 -1.48 -0.15 0.00 -1.03 0.00 0.00 54.13 51.95 3hg5 s LEU 344 Cb -0.31 -0.91 0.03 0.00 0.03 0.00 0.00 46.19 45.02 3hg5 s LEU 344 CO 0.38 -0.79 1.18 -0.44 0.23 0.00 0.00 176.35 176.92 3hg5 s SER 345 N -3.91 4.46 -1.46 2.29 0.01 -1.26 -3.84 113.70 109.99 3hg5 s SER 345 Ca 0.19 2.27 -0.08 0.00 1.31 0.00 0.00 55.95 59.64 3hg5 s SER 345 Cb 0.03 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.69 3hg5 s SER 345 CO 0.11 -2.08 0.91 0.61 0.41 0.00 0.00 173.24 173.20 3hg5 n GLY 346 N 0.18 -0.53 2.46 3.44 0.00 -1.26 -3.04 105.19 106.44 3hg5 n GLY 346 Ca 0.13 0.20 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 3hg5 n GLY 346 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hg5 n LEU 347 N -4.54 -0.61 -4.92 0.99 4.77 -1.25 -4.84 117.00 106.59 3hg5 n LEU 347 Ca -0.04 0.26 -0.26 0.00 -0.03 0.00 0.00 56.01 55.94 3hg5 n LEU 347 Cb 0.58 -1.99 -0.01 0.00 -2.33 0.00 0.00 43.42 39.67 3hg5 n LEU 347 CO 0.58 -0.70 0.32 0.00 -1.33 0.00 0.00 177.39 176.26 3hg5 s ALA 348 N -2.23 3.53 0.04 -1.18 0.00 -1.17 -4.10 121.76 116.65 3hg5 s ALA 348 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.30 3hg5 s ALA 348 Cb 0.00 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 3hg5 s ALA 348 CO 0.00 -0.20 -0.09 -1.58 0.00 0.00 0.00 175.76 173.90 3hg5 s TRP 349 N -2.54 0.75 -0.08 0.00 0.52 -0.73 -0.29 118.94 116.57 3hg5 s TRP 349 Ca 0.44 -0.41 -0.03 0.00 0.02 0.00 0.00 56.10 56.13 3hg5 s TRP 349 Cb -0.10 -0.45 -0.03 0.00 -1.15 0.00 0.00 33.47 31.74 3hg5 s TRP 349 CO 0.41 -0.04 0.03 0.00 0.02 0.00 0.00 176.95 177.37 3hg5 s ALA 350 N -1.09 3.42 -0.04 0.98 0.00 -0.14 -0.56 121.76 124.33 3hg5 s ALA 350 Ca -0.06 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.14 3hg5 s ALA 350 Cb -0.08 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.47 3hg5 s ALA 350 CO 0.01 0.60 -0.09 0.08 0.00 0.00 0.00 175.76 176.36 3hg5 s VAL 351 N -0.94 0.85 -0.08 0.00 1.01 0.17 -1.01 120.40 120.39 3hg5 s VAL 351 Ca 0.14 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.82 3hg5 s VAL 351 Cb -0.11 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 3hg5 s VAL 351 CO 0.04 0.28 -0.24 0.00 0.00 0.00 0.00 175.10 175.18 3hg5 s ALA 352 N 0.50 2.10 -0.20 5.51 0.00 0.31 -0.22 121.76 129.76 3hg5 s ALA 352 Ca -0.09 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 50.93 3hg5 s ALA 352 Cb -0.12 -0.75 0.04 0.00 0.00 0.00 0.00 23.12 22.28 3hg5 s ALA 352 CO 0.01 0.32 -0.14 -1.64 0.00 0.00 0.00 175.76 174.31 3hg5 s MET 353 N 0.20 2.44 -0.09 0.00 -1.94 0.48 -0.75 119.30 119.64 3hg5 s MET 353 Ca -0.14 -0.92 -0.03 0.00 -1.71 0.00 0.00 55.69 52.89 3hg5 s MET 353 Cb -0.16 -2.54 -0.04 0.00 2.01 0.00 0.00 34.83 34.10 3hg5 s MET 353 CO 0.07 -0.36 0.05 0.42 -0.01 0.00 0.00 175.02 175.19 3hg5 s ILE 354 N 1.30 4.74 -0.41 2.53 1.01 -0.30 -0.51 121.20 129.56 3hg5 s ILE 354 Ca -0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 3hg5 s ILE 354 Cb -0.16 -3.03 0.06 0.00 0.01 0.00 0.00 42.46 39.35 3hg5 s ILE 354 CO -0.09 0.60 0.26 0.21 0.00 0.00 0.00 174.94 175.91 3hg5 s ASN 355 N -0.98 5.71 0.00 3.58 2.47 -0.81 -1.45 114.94 123.45 3hg5 s ASN 355 Ca 0.14 -1.36 0.27 0.00 0.42 0.00 0.00 52.86 52.34 3hg5 s ASN 355 Cb -0.12 -2.01 0.92 0.00 -1.45 0.00 0.00 41.25 38.59 3hg5 s ASN 355 CO 0.04 -0.51 1.67 0.54 -3.72 0.00 0.00 177.10 175.11 3hg5 n ARG 356 N 4.97 1.24 -2.55 0.43 5.12 0.95 -0.27 116.66 126.55 3hg5 n ARG 356 Ca -0.11 -0.72 -0.43 0.00 -1.93 0.00 0.00 57.85 54.66 3hg5 n ARG 356 Cb 0.44 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 30.23 3hg5 n ARG 356 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3hg5 s GLN 357 N -2.25 4.04 -0.54 5.56 0.74 -1.22 -4.85 119.66 121.13 3hg5 s GLN 357 Ca 0.31 1.18 -0.01 0.00 0.05 0.00 0.00 55.36 56.90 3hg5 s GLN 357 Cb 0.20 -3.78 0.43 0.00 1.10 0.00 0.00 33.01 30.96 3hg5 s GLN 357 CO 0.43 -0.95 1.99 0.39 -0.55 0.00 0.00 175.29 176.59 3hg5 n GLU 358 N 6.98 2.39 -3.65 1.67 1.02 -1.26 -4.32 120.64 123.47 3hg5 n GLU 358 Ca 0.13 -2.80 -0.12 0.00 -0.02 0.00 0.00 57.16 54.35 3hg5 n GLU 358 Cb 0.47 -2.10 -0.06 0.00 -0.02 0.00 0.00 31.44 29.73 3hg5 n GLU 358 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3hg5 s ILE 359 N -3.92 0.06 0.00 -3.67 2.07 -1.26 -5.08 121.20 109.40 3hg5 s ILE 359 Ca 0.55 -0.47 0.00 0.00 -1.41 0.00 0.00 60.65 59.32 3hg5 s ILE 359 Cb 0.44 -1.01 0.00 0.00 0.13 0.00 0.00 42.46 42.02 3hg5 s ILE 359 CO 0.01 -0.26 0.00 0.61 -1.91 0.00 0.00 174.94 173.39 3hg5 n GLY 360 N 0.32 -0.33 0.94 1.50 0.00 -1.26 -4.94 105.19 101.41 3hg5 n GLY 360 Ca -0.18 -1.11 -0.08 0.00 0.00 0.00 0.00 46.02 44.65 3hg5 n GLY 360 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hg5 n GLY 361 N 0.00 3.98 3.63 -0.02 0.00 -1.26 -4.88 105.19 106.63 3hg5 n GLY 361 Ca 0.00 -2.15 -0.47 0.00 0.00 0.00 0.00 46.02 43.40 3hg5 n GLY 361 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hg5 n PRO 362 N -0.30 1.61 -5.20 1.61 -0.02 -1.26 -4.41 135.00 127.03 3hg5 n PRO 362 Ca -0.04 0.57 -0.30 0.00 -2.02 0.00 0.00 63.50 61.71 3hg5 n PRO 362 Cb 0.17 -2.14 -0.16 0.00 -0.02 0.00 0.00 33.50 31.34 3hg5 n PRO 362 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3hg5 s ARG 363 N -0.47 2.31 0.11 -0.52 3.52 -0.33 -4.80 118.95 118.76 3hg5 s ARG 363 Ca 0.70 -0.86 -0.30 0.00 -0.13 0.00 0.00 55.73 55.14 3hg5 s ARG 363 Cb -0.74 -2.02 -0.06 0.00 -1.56 0.00 0.00 34.95 30.57 3hg5 s ARG 363 CO 0.51 0.40 1.11 0.45 -0.81 0.00 0.00 175.30 176.96 3hg5 s SER 364 N -0.24 7.23 -0.03 -2.12 0.15 -1.26 -0.88 113.70 116.55 3hg5 s SER 364 Ca -0.00 1.99 0.02 0.00 0.70 0.00 0.00 55.95 58.65 3hg5 s SER 364 Cb -0.12 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.61 3hg5 s SER 364 CO 0.02 -0.30 -0.07 -0.47 1.20 0.00 0.00 173.24 173.62 3hg5 s TYR 365 N 0.39 0.83 0.07 3.44 5.04 0.18 -4.97 117.35 122.34 3hg5 s TYR 365 Ca 0.53 -0.22 0.07 0.00 -2.44 0.00 0.00 57.07 55.01 3hg5 s TYR 365 Cb -0.28 -0.65 -0.03 0.00 0.35 0.00 0.00 41.96 41.35 3hg5 s TYR 365 CO 0.32 -0.14 -0.19 0.95 -1.34 0.00 0.00 175.55 175.15 3hg5 s THR 366 N 0.48 1.56 -0.09 4.34 -4.23 -1.26 -0.61 115.64 115.84 3hg5 s THR 366 Ca -0.07 -1.35 -0.11 0.00 -1.18 0.00 0.00 61.69 58.98 3hg5 s THR 366 Cb -0.11 -1.41 0.03 0.00 1.34 0.00 0.00 72.50 72.35 3hg5 s THR 366 CO 0.01 0.01 0.30 -0.51 -0.54 0.00 0.00 174.62 173.89 3hg5 s ILE 367 N -1.03 0.02 0.11 2.99 2.07 0.57 -4.98 121.20 120.95 3hg5 s ILE 367 Ca 0.05 -0.12 -0.31 0.00 -1.41 0.00 0.00 60.65 58.86 3hg5 s ILE 367 Cb -0.09 -0.47 -0.08 0.00 0.13 0.00 0.00 42.46 41.95 3hg5 s ILE 367 CO 0.03 -0.07 1.37 0.00 -1.91 0.00 0.00 174.94 174.37 3hg5 s ALA 368 N -0.20 3.58 0.05 1.50 0.00 -1.26 0.46 121.76 125.89 3hg5 s ALA 368 Ca -0.03 1.10 0.32 0.00 0.00 0.00 0.00 51.96 53.35 3hg5 s ALA 368 Cb -0.03 -3.53 1.49 0.00 0.00 0.00 0.00 23.12 21.06 3hg5 s ALA 368 CO 0.01 -0.60 1.97 -0.39 0.00 0.00 0.00 175.76 176.75 3hg5 h VAL 369 N 4.26 0.00 0.00 0.00 -1.51 -1.60 -1.00 116.25 116.40 3hg5 h VAL 369 Ca -0.42 -0.27 -0.02 0.00 -1.23 0.00 0.00 66.70 64.76 3hg5 h VAL 369 Cb 1.21 1.14 -0.00 0.00 -2.13 0.00 0.00 31.29 31.50 3hg5 h VAL 369 CO 0.86 0.00 -0.09 0.00 -1.23 0.00 0.00 177.57 177.10 3hg5 h ALA 370 N 2.06 1.04 0.00 5.19 0.00 -1.78 -2.18 119.26 123.59 3hg5 h ALA 370 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hg5 h ALA 370 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hg5 h ALA 370 CO 0.00 0.12 -0.13 0.43 0.00 0.00 0.00 179.25 179.67 3hg5 n SER 371 N -3.27 0.35 -4.89 0.00 7.64 -0.38 -3.50 113.62 109.58 3hg5 n SER 371 Ca -0.00 0.38 -0.30 0.00 1.01 0.00 0.00 58.87 59.96 3hg5 n SER 371 Cb 0.33 -0.41 -0.04 0.00 -1.01 0.00 0.00 64.21 63.08 3hg5 n SER 371 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hg5 s LEU 372 N -3.52 4.09 -1.56 -3.43 1.43 -0.82 -4.37 118.68 110.51 3hg5 s LEU 372 Ca 0.12 0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 53.88 3hg5 s LEU 372 Cb 0.17 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 42.90 3hg5 s LEU 372 CO 0.59 -0.15 0.77 0.61 0.23 0.00 0.00 176.35 178.40 3hg5 n GLY 373 N -0.66 -0.40 2.56 -3.19 0.00 -1.26 -1.52 105.19 100.71 3hg5 n GLY 373 Ca -0.01 0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 3hg5 n GLY 373 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hg5 n LYS 374 N -4.48 -1.47 -0.42 1.61 5.02 -1.26 -1.35 118.16 115.81 3hg5 n LYS 374 Ca -0.04 1.15 0.00 0.00 -2.02 0.00 0.00 58.31 57.39 3hg5 n LYS 374 Cb 0.56 -5.52 0.00 0.00 -0.02 0.00 0.00 35.03 30.05 3hg5 n LYS 374 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hg5 n GLY 375 N -0.30 0.78 0.04 0.72 0.00 -0.58 -4.92 105.19 100.93 3hg5 n GLY 375 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 3hg5 n GLY 375 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hg5 n VAL 376 N -2.00 0.57 -0.24 1.61 0.24 -0.46 -4.31 118.33 113.74 3hg5 n VAL 376 Ca 0.00 -0.48 0.05 0.00 -2.04 0.00 0.00 64.34 61.87 3hg5 n VAL 376 Cb 0.00 -0.34 0.17 0.00 -1.47 0.00 0.00 33.84 32.20 3hg5 n VAL 376 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hg5 h ALA 377 N 0.91 0.92 -0.09 2.33 0.00 -1.69 -2.95 119.26 118.68 3hg5 h ALA 377 Ca -0.23 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3hg5 h ALA 377 Cb 1.39 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.35 3hg5 h ALA 377 CO 0.01 -0.34 -0.55 0.00 0.00 0.00 0.00 179.25 178.37 3hg5 s ASN 379 N -3.25 4.98 0.04 0.00 3.04 -1.12 -1.99 114.94 116.64 3hg5 s ASN 379 Ca 0.39 -0.50 0.27 0.00 0.04 0.00 0.00 52.86 53.06 3hg5 s ASN 379 Cb 0.37 -1.87 0.89 0.00 -1.54 0.00 0.00 41.25 39.10 3hg5 s ASN 379 CO -0.06 -0.11 1.70 -0.81 -3.04 0.00 0.00 177.10 174.78 3hg5 n PRO 380 N 4.87 0.06 -3.55 0.43 -0.04 -1.26 -4.90 135.00 130.61 3hg5 n PRO 380 Ca -0.16 0.03 -0.09 0.00 -0.04 0.00 0.00 63.50 63.25 3hg5 n PRO 380 Cb 0.49 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 3hg5 n PRO 380 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hg5 s ALA 381 N -3.03 -1.62 0.01 0.55 0.00 -0.84 -0.64 121.76 116.19 3hg5 s ALA 381 Ca 0.12 0.50 -0.04 0.00 0.00 0.00 0.00 51.96 52.54 3hg5 s ALA 381 Cb 0.17 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 3hg5 s ALA 381 CO 0.61 -0.81 0.07 0.00 0.00 0.00 0.00 175.76 175.62 3hg5 s PHE 383 N -1.41 3.44 -0.16 0.00 5.36 0.53 -0.05 117.98 125.67 3hg5 s PHE 383 Ca -0.15 0.69 -0.03 0.00 -0.96 0.00 0.00 56.93 56.47 3hg5 s PHE 383 Cb -0.09 -2.48 -0.02 0.00 -0.34 0.00 0.00 43.02 40.09 3hg5 s PHE 383 CO 0.01 0.11 -0.05 0.42 -1.46 0.00 0.00 175.22 174.25 3hg5 s ILE 384 N 0.87 3.73 -0.16 3.12 1.01 -0.41 -1.23 121.20 128.12 3hg5 s ILE 384 Ca 0.20 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.45 3hg5 s ILE 384 Cb -0.14 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 39.71 3hg5 s ILE 384 CO 0.07 0.48 -0.19 -0.89 0.00 0.00 0.00 174.94 174.41 3hg5 s THR 385 N 0.55 1.95 0.18 2.92 2.01 -0.28 -0.44 115.64 122.54 3hg5 s THR 385 Ca -0.04 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 3hg5 s THR 385 Cb -0.15 -1.77 -0.08 0.00 0.01 0.00 0.00 72.50 70.52 3hg5 s THR 385 CO 0.03 0.52 1.10 -1.58 -0.69 0.00 0.00 174.62 174.00 3hg5 s GLN 386 N 1.22 4.60 -0.12 4.92 0.74 0.10 -0.17 119.66 130.95 3hg5 s GLN 386 Ca 0.02 1.72 0.03 0.00 0.05 0.00 0.00 55.36 57.18 3hg5 s GLN 386 Cb -0.14 -3.27 -0.10 0.00 1.10 0.00 0.00 33.01 30.60 3hg5 s GLN 386 CO -0.10 0.08 -0.07 1.28 -0.55 0.00 0.00 175.29 175.93 3hg5 n LEU 387 N 2.32 2.15 -4.08 3.68 4.77 0.17 -1.17 117.00 124.84 3hg5 n LEU 387 Ca 0.02 -0.05 -0.17 0.00 -0.03 0.00 0.00 56.01 55.79 3hg5 n LEU 387 Cb 0.46 -0.26 -0.13 0.00 -2.33 0.00 0.00 43.42 41.16 3hg5 n LEU 387 CO 0.54 0.59 -0.43 -0.76 -1.33 0.00 0.00 177.39 175.99 3hg5 s LEU 388 N -5.47 2.17 0.50 2.23 1.43 -1.04 -3.19 118.68 115.30 3hg5 s LEU 388 Ca -0.14 -0.41 0.29 0.00 -1.03 0.00 0.00 54.13 52.84 3hg5 s LEU 388 Cb 0.04 -0.39 1.10 0.00 0.03 0.00 0.00 46.19 46.97 3hg5 s LEU 388 CO 0.33 -0.04 1.89 1.55 0.23 0.00 0.00 176.35 180.32 3hg5 h PRO 389 N 5.01 0.00 -4.69 1.29 0.13 -1.89 -1.39 132.00 130.46 3hg5 h PRO 389 Ca -0.35 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.53 3hg5 h PRO 389 Cb 1.19 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 3hg5 h PRO 389 CO 0.44 0.09 -0.71 0.14 -0.23 0.00 0.00 178.00 177.73 3hg5 s VAL 390 N -3.62 0.70 -0.06 1.56 -7.23 -1.25 -5.14 120.40 105.36 3hg5 s VAL 390 Ca 0.01 -1.69 -0.29 0.00 -1.81 0.00 0.00 61.98 58.20 3hg5 s VAL 390 Cb 0.09 -1.38 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 3hg5 s VAL 390 CO 0.59 -0.71 0.97 -0.75 -0.31 0.00 0.00 175.10 174.89 3hg5 s LYS 391 N -3.14 4.48 -0.29 4.82 2.20 -1.19 -3.99 119.74 122.62 3hg5 s LYS 391 Ca 0.06 1.36 -0.12 0.00 -0.36 0.00 0.00 55.97 56.91 3hg5 s LYS 391 Cb 0.00 -3.50 0.11 0.00 -1.51 0.00 0.00 37.83 32.93 3hg5 s LYS 391 CO -0.03 -0.18 0.64 0.50 -0.36 0.00 0.00 175.35 175.93 3hg5 s ARG 392 N 1.51 0.60 0.11 4.03 3.52 -0.31 -4.99 118.95 123.41 3hg5 s ARG 392 Ca 0.49 1.36 -0.31 0.00 -0.13 0.00 0.00 55.73 57.14 3hg5 s ARG 392 Cb -0.19 0.62 -0.08 0.00 -1.56 0.00 0.00 34.95 33.73 3hg5 s ARG 392 CO 0.22 -0.19 1.43 0.15 -0.81 0.00 0.00 175.30 176.11 3hg5 s LYS 393 N 2.49 4.29 -0.01 5.12 1.02 -1.26 0.03 119.74 131.42 3hg5 s LYS 393 Ca -0.07 2.12 0.22 0.00 0.02 0.00 0.00 55.97 58.26 3hg5 s LYS 393 Cb -0.10 -3.29 -0.30 0.00 -0.52 0.00 0.00 37.83 33.62 3hg5 s LYS 393 CO -0.19 -0.50 0.55 1.28 -0.92 0.00 0.00 175.35 175.57 3hg5 n LEU 394 N 4.22 0.11 0.00 3.17 4.77 0.42 -4.90 117.00 124.79 3hg5 n LEU 394 Ca 0.12 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3hg5 n LEU 394 Cb 0.42 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3hg5 n LEU 394 CO 0.59 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3hg5 n GLY 395 N 1.26 -1.03 3.75 -0.72 0.00 -1.14 -4.94 105.19 102.38 3hg5 n GLY 395 Ca -0.03 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.45 3hg5 n GLY 395 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hg5 s PHE 396 N 0.00 3.78 -0.13 1.61 0.08 -1.26 -1.29 117.98 120.76 3hg5 s PHE 396 Ca 0.00 1.51 0.02 0.00 0.12 0.00 0.00 56.93 58.58 3hg5 s PHE 396 Cb 0.00 -2.81 0.01 0.00 -0.57 0.00 0.00 43.02 39.66 3hg5 s PHE 396 CO 0.00 0.33 -0.19 0.71 -0.10 0.00 0.00 175.22 175.97 3hg5 s TYR 397 N -0.31 2.39 0.57 0.36 1.51 0.92 -4.98 117.35 117.82 3hg5 s TYR 397 Ca 0.38 -1.22 -0.12 0.00 -1.01 0.00 0.00 57.07 55.10 3hg5 s TYR 397 Cb -0.21 -1.67 -0.05 0.00 -0.11 0.00 0.00 41.96 39.92 3hg5 s TYR 397 CO 0.24 -0.59 0.99 -1.21 -1.11 0.00 0.00 175.55 173.87 3hg5 s GLU 398 N 0.99 3.69 0.43 -0.62 0.41 -1.26 -0.75 118.70 121.58 3hg5 s GLU 398 Ca -0.05 0.75 0.30 0.00 -0.41 0.00 0.00 54.97 55.57 3hg5 s GLU 398 Cb -0.15 -2.13 1.47 0.00 -1.78 0.00 0.00 34.13 31.54 3hg5 s GLU 398 CO -0.04 -0.45 1.58 2.35 -0.49 0.00 0.00 175.26 178.22 3hg5 h TRP 399 N 0.09 0.57 0.00 1.61 -0.00 -0.64 0.27 115.95 117.85 3hg5 h TRP 399 Ca -0.45 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.47 3hg5 h TRP 399 Cb 1.19 -0.13 0.00 0.00 -0.00 0.00 0.00 29.16 30.22 3hg5 h TRP 399 CO 0.65 -0.31 -0.16 0.25 -0.00 0.00 0.00 178.44 178.87 3hg5 n THR 400 N -4.83 0.21 -1.36 2.65 -2.24 -1.26 -4.10 114.28 103.36 3hg5 n THR 400 Ca 0.40 -0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.76 3hg5 n THR 400 Cb 1.51 -0.36 0.10 0.00 -2.10 0.00 0.00 70.33 69.49 3hg5 n THR 400 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hg5 s SER 401 N -3.58 4.29 -0.06 3.42 0.01 0.93 -4.90 113.70 113.81 3hg5 s SER 401 Ca 0.12 1.56 0.04 0.00 1.31 0.00 0.00 55.95 58.98 3hg5 s SER 401 Cb 0.16 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 64.08 3hg5 s SER 401 CO 0.60 -2.13 -0.20 -0.13 0.41 0.00 0.00 173.24 171.79 3hg5 s ARG 402 N -4.99 2.65 -0.13 12.44 0.52 -1.26 -1.67 118.95 126.50 3hg5 s ARG 402 Ca 0.61 -0.81 -0.21 0.00 -0.52 0.00 0.00 55.73 54.81 3hg5 s ARG 402 Cb -0.16 -2.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.98 3hg5 s ARG 402 CO 0.56 0.44 0.61 -1.17 0.02 0.00 0.00 175.30 175.76 3hg5 s LEU 403 N -0.28 4.24 0.01 2.53 0.20 0.17 -4.90 118.68 120.66 3hg5 s LEU 403 Ca 0.01 0.95 0.07 0.00 0.69 0.00 0.00 54.13 55.85 3hg5 s LEU 403 Cb -0.13 -2.90 -0.02 0.00 -0.43 0.00 0.00 46.19 42.71 3hg5 s LEU 403 CO 0.03 -0.14 -0.20 0.00 -0.29 0.00 0.00 176.35 175.75 3hg5 s ARG 404 N 1.14 1.51 -0.10 1.98 1.04 -1.26 -0.32 118.95 122.94 3hg5 s ARG 404 Ca 0.31 -0.81 -0.24 0.00 -1.04 0.00 0.00 55.73 53.95 3hg5 s ARG 404 Cb -0.16 -1.52 0.06 0.00 -2.04 0.00 0.00 34.95 31.28 3hg5 s ARG 404 CO 0.13 0.41 0.57 0.45 -0.04 0.00 0.00 175.30 176.82 3hg5 s SER 405 N -0.78 -0.55 -0.20 -2.89 0.15 0.22 -5.00 113.70 104.66 3hg5 s SER 405 Ca 0.07 0.74 -0.08 0.00 0.70 0.00 0.00 55.95 57.39 3hg5 s SER 405 Cb -0.08 0.72 -0.04 0.00 -1.71 0.00 0.00 66.02 64.90 3hg5 s SER 405 CO 0.00 -0.44 0.07 -1.00 1.20 0.00 0.00 173.24 173.07 3hg5 s HIS 406 N -0.72 3.23 -0.13 3.44 3.76 -1.26 0.48 115.29 124.09 3hg5 s HIS 406 Ca -0.08 0.02 0.03 0.00 -0.15 0.00 0.00 55.06 54.88 3hg5 s HIS 406 Cb -0.03 -2.11 0.00 0.00 1.11 0.00 0.00 32.58 31.55 3hg5 s HIS 406 CO 0.06 0.08 -0.21 0.42 -0.85 0.00 0.00 174.74 174.24 3hg5 s ILE 407 N 0.59 2.24 0.41 0.60 1.01 -0.06 -4.79 121.20 121.20 3hg5 s ILE 407 Ca 0.04 -0.94 -0.26 0.00 0.00 0.00 0.00 60.65 59.49 3hg5 s ILE 407 Cb -0.13 -1.89 -0.09 0.00 0.01 0.00 0.00 42.46 40.36 3hg5 s ILE 407 CO 0.01 0.55 1.31 0.20 0.00 0.00 0.00 174.94 177.01 3hg5 s ASN 408 N 0.59 6.25 -0.10 3.58 0.01 -1.26 -1.19 114.94 122.82 3hg5 s ASN 408 Ca -0.12 2.68 -0.38 0.00 -0.71 0.00 0.00 52.86 54.33 3hg5 s ASN 408 Cb -0.16 -2.64 -0.16 0.00 0.41 0.00 0.00 41.25 38.70 3hg5 s ASN 408 CO 0.03 -0.90 1.60 -2.65 -1.51 0.00 0.00 177.10 173.68 3hg5 n PRO 409 N 0.07 1.32 -0.79 -0.60 -0.02 -1.26 -0.35 135.00 133.36 3hg5 n PRO 409 Ca 0.04 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3hg5 n PRO 409 Cb 0.43 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3hg5 n PRO 409 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hg5 n THR 410 N 3.82 0.00 -2.66 3.45 -2.24 0.62 -4.89 114.28 112.39 3hg5 n THR 410 Ca 0.23 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.79 3hg5 n THR 410 Cb 0.18 -0.22 0.06 0.00 -2.10 0.00 0.00 70.33 68.25 3hg5 n THR 410 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hg5 s GLY 411 N -2.00 1.80 -0.01 3.38 0.00 0.53 -3.88 107.32 107.14 3hg5 s GLY 411 Ca 0.00 -1.53 0.02 0.00 0.00 0.00 0.00 44.72 43.21 3hg5 s GLY 411 CO 0.00 -1.14 -0.05 -1.59 0.00 0.00 0.00 173.10 170.31 3hg5 s THR 412 N -2.87 0.46 -0.22 0.90 2.01 -1.26 -1.93 115.64 112.74 3hg5 s THR 412 Ca 0.61 -0.22 -0.12 0.00 0.31 0.00 0.00 61.69 62.27 3hg5 s THR 412 Cb -0.08 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 71.97 3hg5 s THR 412 CO 0.40 0.14 0.20 -0.69 -0.69 0.00 0.00 174.62 173.99 3hg5 s VAL 413 N 0.04 5.34 -0.15 3.82 1.01 0.33 -3.95 120.40 126.85 3hg5 s VAL 413 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.28 3hg5 s VAL 413 Cb -0.04 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 3hg5 s VAL 413 CO -0.00 0.35 -0.15 -0.22 0.00 0.00 0.00 175.10 175.07 3hg5 s LEU 414 N 0.93 2.50 0.09 3.92 2.96 -0.53 -0.39 118.68 128.17 3hg5 s LEU 414 Ca 0.10 -0.45 0.08 0.00 -0.22 0.00 0.00 54.13 53.65 3hg5 s LEU 414 Cb -0.13 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 3hg5 s LEU 414 CO 0.04 0.10 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.20 3hg5 s LEU 415 N 0.70 2.26 -0.15 -0.68 1.43 0.69 0.45 118.68 123.39 3hg5 s LEU 415 Ca -0.07 -0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 52.36 3hg5 s LEU 415 Cb -0.16 -0.96 -0.02 0.00 0.03 0.00 0.00 46.19 45.08 3hg5 s LEU 415 CO 0.02 0.11 -0.08 -1.58 0.23 0.00 0.00 176.35 175.05 3hg5 s GLN 416 N -1.70 3.54 -0.16 1.70 0.74 0.76 -0.66 119.66 123.87 3hg5 s GLN 416 Ca 0.08 -0.59 -0.04 0.00 0.05 0.00 0.00 55.36 54.85 3hg5 s GLN 416 Cb -0.10 -2.80 -0.03 0.00 1.10 0.00 0.00 33.01 31.19 3hg5 s GLN 416 CO 0.04 0.21 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.46 3hg5 s LEU 417 N 0.40 3.33 -0.19 3.68 1.02 0.28 -1.12 118.68 126.07 3hg5 s LEU 417 Ca -0.07 -0.11 -0.01 0.00 0.02 0.00 0.00 54.13 53.97 3hg5 s LEU 417 Cb -0.15 -1.81 0.01 0.00 0.02 0.00 0.00 46.19 44.26 3hg5 s LEU 417 CO 0.04 0.16 -0.14 -1.61 0.02 0.00 0.00 176.35 174.82 3hg5 s GLU 418 N 0.43 3.16 0.30 1.70 0.41 -0.36 -1.78 118.70 122.56 3hg5 s GLU 418 Ca -0.03 -0.75 -0.29 0.00 -0.41 0.00 0.00 54.97 53.50 3hg5 s GLU 418 Cb -0.14 -2.73 -0.10 0.00 -1.78 0.00 0.00 34.13 29.37 3hg5 s GLU 418 CO 0.02 -0.17 1.41 1.21 -0.49 0.00 0.00 175.26 177.24 3hg5 s ASN 419 N 1.29 6.64 0.41 -0.19 3.84 -1.25 -0.35 114.94 125.33 3hg5 s ASN 419 Ca 0.04 2.74 0.25 0.00 0.21 0.00 0.00 52.86 56.09 3hg5 s ASN 419 Cb -0.14 -2.64 0.57 0.00 -0.55 0.00 0.00 41.25 38.50 3hg5 s ASN 419 CO -0.08 -0.68 1.69 0.71 -2.79 0.00 0.00 177.10 175.96 3hg5 h THR 420 N 3.29 0.00 0.00 -5.21 1.35 -1.72 -3.46 112.91 107.16 3hg5 h THR 420 Ca -0.48 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 3hg5 h THR 420 Cb 1.22 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 3hg5 h THR 420 CO 0.72 0.00 0.00 0.23 -0.25 0.00 0.00 175.52 176.22