#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hg2 n ASP 33 N 0.00 6.82 -0.88 1.96 2.03 -1.26 -4.36 116.55 120.86 3hg2 n ASP 33 Ca 0.00 -2.90 0.08 0.00 0.52 0.00 0.00 54.79 52.49 3hg2 n ASP 33 Cb 0.00 -1.36 0.18 0.00 -0.72 0.00 0.00 41.12 39.22 3hg2 n ASP 33 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3hg2 n ASN 34 N 1.90 3.09 0.00 1.67 6.94 -1.26 -4.96 115.26 122.63 3hg2 n ASN 34 Ca 0.55 -1.91 0.00 0.00 -0.02 0.00 0.00 54.58 53.20 3hg2 n ASN 34 Cb 0.54 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.72 3hg2 n ASN 34 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hg2 n GLY 35 N 1.02 0.87 3.93 4.83 0.00 -1.26 -5.01 105.19 109.57 3hg2 n GLY 35 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 3hg2 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg2 s LEU 36 N 0.00 3.56 -1.50 0.99 1.43 -1.26 -4.64 118.68 117.27 3hg2 s LEU 36 Ca 0.00 -0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 52.49 3hg2 s LEU 36 Cb 0.00 -2.36 0.05 0.00 0.03 0.00 0.00 46.19 43.91 3hg2 s LEU 36 CO 0.00 -0.64 0.53 0.00 0.23 0.00 0.00 176.35 176.47 3hg2 n ALA 37 N -1.65 -1.77 0.18 4.21 0.00 -1.26 -4.11 120.51 116.10 3hg2 n ALA 37 Ca 0.04 -0.18 0.03 0.00 0.00 0.00 0.00 53.44 53.34 3hg2 n ALA 37 Cb 0.60 -2.15 0.33 0.00 0.00 0.00 0.00 19.45 18.23 3hg2 n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hg2 h ARG 38 N -1.76 0.00 -6.15 0.00 2.47 -1.90 0.47 114.38 107.50 3hg2 h ARG 38 Ca -0.62 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 57.51 3hg2 h ARG 38 Cb 1.38 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.58 3hg2 h ARG 38 CO 0.67 0.42 -0.69 0.95 0.56 0.00 0.00 179.97 181.88 3hg2 s THR 39 N -3.85 2.83 0.32 2.04 -4.23 -1.26 -4.31 115.64 107.18 3hg2 s THR 39 Ca -0.02 -2.14 -0.29 0.00 -1.18 0.00 0.00 61.69 58.06 3hg2 s THR 39 Cb 0.13 -2.61 -0.12 0.00 1.34 0.00 0.00 72.50 71.24 3hg2 s THR 39 CO 0.71 -0.34 1.42 -2.65 -0.54 0.00 0.00 174.62 173.22 3hg2 n PRO 40 N -0.79 2.35 -1.90 3.99 -0.02 -1.26 -4.89 135.00 132.48 3hg2 n PRO 40 Ca -0.05 0.83 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 3hg2 n PRO 40 Cb 0.60 -2.50 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 3hg2 n PRO 40 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hg2 s THR 41 N -0.67 2.29 -0.03 3.45 2.01 -1.26 -4.73 115.64 116.69 3hg2 s THR 41 Ca 0.59 0.27 0.07 0.00 0.31 0.00 0.00 61.69 62.93 3hg2 s THR 41 Cb -0.55 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 3hg2 s THR 41 CO 0.57 0.06 -0.24 -0.04 -0.69 0.00 0.00 174.62 174.28 3hg2 s MET 42 N -1.52 2.28 0.00 4.92 -1.94 -1.26 -0.38 119.30 121.39 3hg2 s MET 42 Ca 0.55 -0.89 0.00 0.00 -1.71 0.00 0.00 55.69 53.64 3hg2 s MET 42 Cb -0.45 -2.12 0.00 0.00 2.01 0.00 0.00 34.83 34.27 3hg2 s MET 42 CO 0.56 0.52 0.00 0.41 -0.01 0.00 0.00 175.02 176.50 3hg2 n GLY 43 N 2.55 -0.62 2.93 -0.03 0.00 0.04 -2.03 105.19 108.03 3hg2 n GLY 43 Ca -0.16 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 3hg2 n GLY 43 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hg2 s TRP 44 N -3.36 0.73 -0.03 1.61 -0.00 0.97 -0.98 118.94 117.88 3hg2 s TRP 44 Ca 0.00 -0.19 0.02 0.00 -0.00 0.00 0.00 56.10 55.94 3hg2 s TRP 44 Cb 0.00 -0.59 0.01 0.00 -0.00 0.00 0.00 33.47 32.88 3hg2 s TRP 44 CO 0.00 -0.13 -0.09 -1.17 -0.00 0.00 0.00 176.95 175.56 3hg2 s LEU 45 N 0.54 1.73 0.35 5.86 2.96 0.24 0.28 118.68 130.65 3hg2 s LEU 45 Ca -0.07 -0.20 0.26 0.00 -0.22 0.00 0.00 54.13 53.89 3hg2 s LEU 45 Cb -0.11 -0.59 0.77 0.00 0.50 0.00 0.00 46.19 46.76 3hg2 s LEU 45 CO 0.00 0.05 1.74 1.12 -1.32 0.00 0.00 176.35 177.95 3hg2 h HIS 46 N 6.52 0.00 0.26 5.38 2.07 -1.82 -3.36 115.15 124.21 3hg2 h HIS 46 Ca -0.33 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.19 3hg2 h HIS 46 Cb 1.17 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.13 3hg2 h HIS 46 CO 0.45 0.00 -0.31 2.35 -3.07 0.00 0.00 177.93 177.36 3hg2 h TRP 47 N 0.00 -0.83 -0.79 6.12 2.91 -1.89 -0.38 115.95 121.09 3hg2 h TRP 47 Ca 0.00 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 3hg2 h TRP 47 Cb 0.73 0.33 -0.04 0.00 -0.51 0.00 0.00 29.16 29.67 3hg2 h TRP 47 CO 0.00 -0.43 0.46 1.49 -1.03 0.00 0.00 178.44 178.93 3hg2 h GLU 48 N -0.61 1.08 0.06 2.65 4.22 -1.89 0.13 114.58 120.22 3hg2 h GLU 48 Ca -0.00 -0.11 -0.31 0.00 0.08 0.00 0.00 59.36 59.02 3hg2 h GLU 48 Cb 0.58 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3hg2 h GLU 48 CO -0.09 0.78 -1.68 -0.09 -2.18 0.00 0.00 179.01 175.75 3hg2 h ARG 49 N 1.09 0.13 0.00 1.92 9.65 -1.75 -3.41 114.38 122.01 3hg2 h ARG 49 Ca 0.28 -0.22 -0.10 0.00 -1.10 0.00 0.00 59.98 58.85 3hg2 h ARG 49 Cb -0.02 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.63 3hg2 h ARG 49 CO -0.05 0.86 -1.53 1.19 2.80 0.00 0.00 179.97 183.24 3hg2 n PHE 50 N -3.27 0.00 -0.85 2.20 3.72 -0.16 -5.06 117.46 114.03 3hg2 n PHE 50 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 3hg2 n PHE 50 Cb 1.04 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 39.24 3hg2 n PHE 50 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3hg2 n MET 51 N -2.13 0.00 -2.24 -1.08 2.81 0.44 -3.13 117.12 111.79 3hg2 n MET 51 Ca -0.09 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.48 3hg2 n MET 51 Cb 0.58 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 33.10 3hg2 n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hg2 s ASN 53 N -2.69 6.43 0.00 0.00 3.84 -1.18 -4.85 114.94 116.49 3hg2 s ASN 53 Ca 0.50 0.46 0.21 0.00 0.21 0.00 0.00 52.86 54.25 3hg2 s ASN 53 Cb 0.42 -2.55 -0.02 0.00 -0.55 0.00 0.00 41.25 38.55 3hg2 s ASN 53 CO -0.25 -1.42 1.04 0.18 -2.79 0.00 0.00 177.10 173.86 3hg2 n LEU 54 N 8.51 1.92 -4.48 3.21 4.77 -1.26 -0.23 117.00 129.44 3hg2 n LEU 54 Ca 0.13 -0.75 -0.44 0.00 -0.03 0.00 0.00 56.01 54.92 3hg2 n LEU 54 Cb 0.49 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 3hg2 n LEU 54 CO 0.71 0.36 1.35 -0.62 -1.33 0.00 0.00 177.39 177.87 3hg2 s ASP 55 N -2.41 6.91 0.01 -1.43 2.15 -1.26 -4.79 116.67 115.84 3hg2 s ASP 55 Ca 0.17 -2.62 0.29 0.00 0.43 0.00 0.00 52.55 50.82 3hg2 s ASP 55 Cb 0.17 -2.43 1.18 0.00 -0.30 0.00 0.00 42.92 41.55 3hg2 s ASP 55 CO 0.56 -0.91 1.89 0.00 -0.17 0.00 0.00 175.17 176.54 3hg2 h GLN 57 N 0.00 0.22 0.00 0.00 1.08 -1.96 -3.23 115.11 111.22 3hg2 h GLN 57 Ca 0.00 -0.38 -0.07 0.00 -1.45 0.00 0.00 58.65 56.75 3hg2 h GLN 57 Cb 0.51 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 3hg2 h GLN 57 CO 0.00 1.18 -2.06 0.39 -0.95 0.00 0.00 178.83 177.39 3hg2 n GLU 58 N -4.08 0.67 -2.98 1.46 -0.58 -1.24 -4.56 120.64 109.33 3hg2 n GLU 58 Ca -0.21 -0.16 -0.22 0.00 -0.42 0.00 0.00 57.16 56.14 3hg2 n GLU 58 Cb 0.83 -1.51 -0.03 0.00 -0.57 0.00 0.00 31.44 30.16 3hg2 n GLU 58 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3hg2 n GLU 59 N -2.34 2.27 0.05 3.49 -0.58 -0.00 -4.96 120.64 118.56 3hg2 n GLU 59 Ca -0.09 -4.18 0.04 0.00 -0.42 0.00 0.00 57.16 52.51 3hg2 n GLU 59 Cb 0.67 -1.98 0.45 0.00 -0.57 0.00 0.00 31.44 30.02 3hg2 n GLU 59 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3hg2 h PRO 60 N 2.96 0.43 0.00 3.49 0.13 -1.65 -0.80 132.00 136.56 3hg2 h PRO 60 Ca 0.12 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3hg2 h PRO 60 Cb 0.75 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3hg2 h PRO 60 CO 0.68 0.31 0.00 -0.44 -0.23 0.00 0.00 178.00 178.32 3hg2 h ASP 61 N 0.44 0.00 0.00 1.44 3.32 -1.91 -3.31 116.42 116.40 3hg2 h ASP 61 Ca 0.12 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3hg2 h ASP 61 Cb -0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3hg2 h ASP 61 CO -0.02 0.00 -1.54 -1.20 -1.72 0.00 0.00 179.24 174.76 3hg2 n SER 62 N -2.78 2.33 -4.76 6.45 7.64 -0.82 -5.00 113.62 116.67 3hg2 n SER 62 Ca 0.04 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.58 3hg2 n SER 62 Cb 0.43 1.52 0.06 0.00 -1.01 0.00 0.00 64.21 65.21 3hg2 n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hg2 s ILE 64 N -2.25 3.77 0.15 0.00 -1.09 0.68 -4.82 121.20 117.64 3hg2 s ILE 64 Ca 0.69 0.15 0.02 0.00 -2.23 0.00 0.00 60.65 59.28 3hg2 s ILE 64 Cb -0.23 -4.94 -0.04 0.00 -1.58 0.00 0.00 42.46 35.66 3hg2 s ILE 64 CO 0.42 -1.87 -0.04 -0.94 -1.23 0.00 0.00 174.94 171.29 3hg2 s SER 65 N 3.99 1.36 0.44 3.58 1.04 -1.26 -4.82 113.70 118.04 3hg2 s SER 65 Ca 0.37 -1.10 0.13 0.00 0.48 0.00 0.00 55.95 55.84 3hg2 s SER 65 Cb -0.06 0.08 0.99 0.00 0.10 0.00 0.00 66.02 67.12 3hg2 s SER 65 CO 0.10 -0.49 2.00 1.05 0.98 0.00 0.00 173.24 176.88 3hg2 h GLU 66 N 2.77 0.06 -0.73 4.02 4.11 -1.57 -2.71 114.58 120.53 3hg2 h GLU 66 Ca -0.36 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.04 3hg2 h GLU 66 Cb 1.19 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 3hg2 h GLU 66 CO 0.64 0.20 0.39 0.87 0.07 0.00 0.00 179.01 181.18 3hg2 h LYS 67 N 0.06 1.03 -0.37 1.06 1.57 -1.97 -0.12 116.57 117.82 3hg2 h LYS 67 Ca 0.01 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3hg2 h LYS 67 Cb 0.28 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3hg2 h LYS 67 CO 0.02 0.77 0.23 1.25 -0.57 0.00 0.00 179.45 181.15 3hg2 h LEU 68 N 1.01 0.44 -0.43 2.94 5.85 -1.80 0.06 115.31 123.39 3hg2 h LEU 68 Ca 0.26 -0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.77 3hg2 h LEU 68 Cb 0.05 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3hg2 h LEU 68 CO -0.04 0.36 -0.40 -0.26 -0.34 0.00 0.00 178.44 177.75 3hg2 h PHE 69 N 0.49 1.06 0.10 1.25 0.04 -1.40 -0.48 116.94 117.99 3hg2 h PHE 69 Ca 0.13 -0.32 0.01 0.00 2.80 0.00 0.00 57.97 60.59 3hg2 h PHE 69 Cb -0.01 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 3hg2 h PHE 69 CO -0.04 1.13 -0.15 0.52 -0.60 0.00 0.00 178.31 179.17 3hg2 h MET 70 N 0.71 -0.29 -0.67 1.51 2.86 -0.89 -0.59 114.93 117.57 3hg2 h MET 70 Ca 0.05 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 3hg2 h MET 70 Cb 0.99 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.68 3hg2 h MET 70 CO 0.10 -0.19 0.25 1.49 1.06 0.00 0.00 176.91 179.61 3hg2 h GLU 71 N -0.30 1.01 -0.89 1.72 4.81 -0.89 -1.76 114.58 118.27 3hg2 h GLU 71 Ca 0.02 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 3hg2 h GLU 71 Cb 0.31 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 3hg2 h GLU 71 CO -0.08 0.85 0.53 1.98 -0.73 0.00 0.00 179.01 181.56 3hg2 h MET 72 N 0.95 1.21 -0.71 1.92 4.05 -1.01 -2.29 114.93 119.04 3hg2 h MET 72 Ca 0.22 -0.11 -0.05 0.00 -0.28 0.00 0.00 59.70 59.48 3hg2 h MET 72 Cb 0.23 -0.25 -0.03 0.00 -0.80 0.00 0.00 31.60 30.75 3hg2 h MET 72 CO -0.02 0.85 0.27 0.00 0.23 0.00 0.00 176.91 178.24 3hg2 h ALA 73 N 1.36 0.93 -0.54 0.39 0.00 -0.56 -1.51 119.26 119.33 3hg2 h ALA 73 Ca 0.32 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3hg2 h ALA 73 Cb -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3hg2 h ALA 73 CO -0.06 0.57 0.36 0.93 0.00 0.00 0.00 179.25 181.05 3hg2 h GLU 74 N 1.03 0.71 0.00 0.00 5.08 -0.99 -2.90 114.58 117.51 3hg2 h GLU 74 Ca 0.24 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.42 3hg2 h GLU 74 Cb 0.24 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3hg2 h GLU 74 CO -0.02 0.47 -0.61 -0.07 -1.00 0.00 0.00 179.01 177.78 3hg2 h LEU 75 N 0.73 0.00 -0.96 1.33 3.38 -1.30 -1.29 115.31 117.20 3hg2 h LEU 75 Ca 0.20 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.19 3hg2 h LEU 75 Cb -0.08 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3hg2 h LEU 75 CO -0.04 0.61 0.63 0.24 0.09 0.00 0.00 178.44 179.97 3hg2 h MET 76 N 0.00 1.20 0.20 1.13 2.86 -1.09 0.28 114.93 119.51 3hg2 h MET 76 Ca -0.01 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3hg2 h MET 76 Cb 1.11 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.50 3hg2 h MET 76 CO 0.08 0.80 -0.10 0.28 1.06 0.00 0.00 176.91 179.03 3hg2 h VAL 77 N 1.24 0.22 0.00 -2.22 2.07 -1.39 -1.50 116.25 114.67 3hg2 h VAL 77 Ca 0.37 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3hg2 h VAL 77 Cb -0.05 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3hg2 h VAL 77 CO -0.11 0.07 -0.07 0.77 0.02 0.00 0.00 177.57 178.25 3hg2 h SER 78 N -1.04 0.00 -0.37 0.57 4.64 -1.21 -2.99 113.55 113.16 3hg2 h SER 78 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3hg2 h SER 78 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3hg2 h SER 78 CO 0.04 0.07 0.00 -0.62 -0.87 0.00 0.00 176.83 175.45 3hg2 n GLU 79 N -3.26 3.41 -0.85 4.77 -0.58 0.08 -4.97 120.64 119.24 3hg2 n GLU 79 Ca -0.01 -2.84 0.00 0.00 -0.42 0.00 0.00 57.16 53.90 3hg2 n GLU 79 Cb 0.28 -1.88 0.00 0.00 -0.57 0.00 0.00 31.44 29.27 3hg2 n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hg2 n GLY 80 N -0.03 0.70 0.14 0.62 0.00 -1.13 -4.95 105.19 100.55 3hg2 n GLY 80 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 3hg2 n GLY 80 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3hg2 h TRP 81 N 0.00 0.44 -0.55 1.61 4.06 -1.59 -2.21 115.95 117.71 3hg2 h TRP 81 Ca 0.00 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 60.83 3hg2 h TRP 81 Cb 0.00 -0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 28.03 3hg2 h TRP 81 CO 0.00 0.71 0.34 -0.22 -3.56 0.00 0.00 178.44 175.72 3hg2 h LYS 82 N 0.05 0.73 -0.85 0.49 3.64 -1.38 -1.05 116.57 118.21 3hg2 h LYS 82 Ca 0.04 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 3hg2 h LYS 82 Cb 0.61 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.21 3hg2 h LYS 82 CO 0.03 0.51 0.55 -0.44 -2.27 0.00 0.00 179.45 177.84 3hg2 h ASP 83 N 0.74 0.83 1.29 4.20 3.45 -1.82 -1.70 116.42 123.40 3hg2 h ASP 83 Ca 0.20 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.67 3hg2 h ASP 83 Cb -0.04 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.56 3hg2 h ASP 83 CO -0.04 0.53 0.00 0.00 -1.57 0.00 0.00 179.24 178.16 3hg2 h ALA 84 N 1.54 1.00 0.00 3.45 0.00 -0.97 -3.46 119.26 120.82 3hg2 h ALA 84 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3hg2 h ALA 84 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hg2 h ALA 84 CO -0.14 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.52 3hg2 n GLY 85 N 0.34 0.92 3.55 0.00 0.00 -0.64 -5.04 105.19 104.33 3hg2 n GLY 85 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3hg2 n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hg2 s TYR 86 N -1.52 2.20 -0.24 1.61 2.02 -0.44 -4.59 117.35 116.41 3hg2 s TYR 86 Ca 0.00 -0.02 0.08 0.00 -0.37 0.00 0.00 57.07 56.75 3hg2 s TYR 86 Cb 0.00 -4.53 -0.20 0.00 -0.40 0.00 0.00 41.96 36.83 3hg2 s TYR 86 CO 0.00 -2.08 -0.12 -1.91 -1.57 0.00 0.00 175.55 169.88 3hg2 n GLU 87 N 9.24 0.67 -3.37 -0.62 4.07 -0.86 -3.66 120.64 126.10 3hg2 n GLU 87 Ca 0.13 0.09 -0.41 0.00 -0.06 0.00 0.00 57.16 56.91 3hg2 n GLU 87 Cb 0.50 -1.52 -0.09 0.00 -0.06 0.00 0.00 31.44 30.27 3hg2 n GLU 87 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 3hg2 s TYR 88 N -2.50 3.20 -0.34 4.31 2.02 -0.93 -1.40 117.35 121.70 3hg2 s TYR 88 Ca -0.25 -0.09 -0.22 0.00 -0.37 0.00 0.00 57.07 56.14 3hg2 s TYR 88 Cb 0.08 -2.73 0.00 0.00 -0.40 0.00 0.00 41.96 38.91 3hg2 s TYR 88 CO 0.68 -0.50 0.70 -1.17 -1.57 0.00 0.00 175.55 173.70 3hg2 s LEU 89 N 2.06 4.17 -0.12 -1.29 2.96 0.80 -0.02 118.68 127.24 3hg2 s LEU 89 Ca 0.12 0.35 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 3hg2 s LEU 89 Cb -0.17 -2.91 0.00 0.00 0.50 0.00 0.00 46.19 43.61 3hg2 s LEU 89 CO 0.12 -0.62 -0.21 0.00 -1.32 0.00 0.00 176.35 174.32 3hg2 s ILE 91 N 0.53 5.06 0.00 0.00 1.01 0.57 -3.02 121.20 125.35 3hg2 s ILE 91 Ca -0.13 1.31 0.00 0.00 0.00 0.00 0.00 60.65 61.83 3hg2 s ILE 91 Cb -0.17 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3hg2 s ILE 91 CO 0.05 0.29 0.00 -0.67 0.00 0.00 0.00 174.94 174.60 3hg2 n ASP 92 N 3.63 0.00 -4.74 3.58 -0.08 -1.26 -3.09 116.55 114.58 3hg2 n ASP 92 Ca -0.03 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.93 3hg2 n ASP 92 Cb 0.51 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.07 3hg2 n ASP 92 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3hg2 s ASP 93 N -1.00 4.23 0.00 1.67 -1.08 -1.26 -4.29 116.67 114.93 3hg2 s ASP 93 Ca 0.00 2.00 0.00 0.00 -0.52 0.00 0.00 52.55 54.03 3hg2 s ASP 93 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 3hg2 s ASP 93 CO 0.00 -2.22 0.00 0.00 0.52 0.00 0.00 175.17 173.47 3hg2 n TRP 95 N -3.00 0.00 -2.61 0.00 4.27 -1.26 -4.87 117.44 109.97 3hg2 n TRP 95 Ca 0.00 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.28 3hg2 n TRP 95 Cb 0.49 -0.44 -0.05 0.00 -1.36 0.00 0.00 31.31 29.95 3hg2 n TRP 95 CO 0.00 0.00 0.00 -1.64 -2.29 0.00 0.00 177.69 173.76 3hg2 s MET 96 N -3.34 4.08 0.60 -2.67 -1.94 -1.26 -0.97 119.30 113.80 3hg2 s MET 96 Ca -0.07 1.05 -0.17 0.00 -1.71 0.00 0.00 55.69 54.79 3hg2 s MET 96 Cb 0.12 -2.16 -0.03 0.00 2.01 0.00 0.00 34.83 34.78 3hg2 s MET 96 CO 0.80 -0.16 1.11 0.00 -0.01 0.00 0.00 175.02 176.77 3hg2 s ALA 97 N -2.38 2.59 0.32 3.03 0.00 0.01 -4.16 121.76 121.17 3hg2 s ALA 97 Ca 0.61 0.66 0.07 0.00 0.00 0.00 0.00 51.96 53.29 3hg2 s ALA 97 Cb -0.10 -3.33 0.75 0.00 0.00 0.00 0.00 23.12 20.44 3hg2 s ALA 97 CO 0.22 -1.02 1.81 -1.35 0.00 0.00 0.00 175.76 175.42 3hg2 h PRO 98 N 0.58 0.75 -5.54 0.00 0.11 -1.95 -3.42 132.00 122.52 3hg2 h PRO 98 Ca -0.48 -0.04 -0.48 0.00 0.11 0.00 0.00 66.00 65.10 3hg2 h PRO 98 Cb 1.25 -0.17 -0.14 0.00 0.11 0.00 0.00 31.00 32.05 3hg2 h PRO 98 CO 0.56 0.49 -0.70 -0.65 -0.21 0.00 0.00 178.00 177.49 3hg2 s GLN 99 N -5.81 1.48 0.66 1.05 -1.52 -1.26 -4.35 119.66 109.92 3hg2 s GLN 99 Ca -0.11 -1.72 -0.14 0.00 -1.95 0.00 0.00 55.36 51.44 3hg2 s GLN 99 Cb 0.24 -1.15 -0.00 0.00 -0.22 0.00 0.00 33.01 31.87 3hg2 s GLN 99 CO 0.80 0.09 1.08 1.03 -0.25 0.00 0.00 175.29 178.04 3hg2 s ARG 100 N -3.70 2.94 0.33 2.91 0.52 -1.26 -4.57 118.95 116.13 3hg2 s ARG 100 Ca 0.27 1.21 -0.06 0.00 -0.52 0.00 0.00 55.73 56.63 3hg2 s ARG 100 Cb 0.02 -1.98 0.08 0.00 0.52 0.00 0.00 34.95 33.59 3hg2 s ARG 100 CO 0.10 -1.11 0.31 -0.40 0.02 0.00 0.00 175.30 174.22 3hg2 n ASP 101 N -2.56 -1.21 0.03 0.23 5.68 -0.64 -4.81 116.55 113.26 3hg2 n ASP 101 Ca 0.09 -0.71 0.07 0.00 -0.50 0.00 0.00 54.79 53.74 3hg2 n ASP 101 Cb 0.53 -0.28 0.32 0.00 -1.14 0.00 0.00 41.12 40.55 3hg2 n ASP 101 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3hg2 n SER 102 N -3.49 0.16 -0.33 -1.12 3.41 -1.26 -1.70 113.62 109.29 3hg2 n SER 102 Ca 0.04 0.55 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 3hg2 n SER 102 Cb 0.16 -0.58 0.03 0.00 -0.26 0.00 0.00 64.21 63.56 3hg2 n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hg2 n GLU 103 N -1.69 0.83 -0.85 4.33 1.02 -1.26 -4.96 120.64 118.06 3hg2 n GLU 103 Ca 0.03 -0.67 0.00 0.00 -0.02 0.00 0.00 57.16 56.50 3hg2 n GLU 103 Cb 0.15 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 3hg2 n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hg2 n GLY 104 N 1.43 0.54 3.87 0.62 0.00 -0.69 -5.05 105.19 105.91 3hg2 n GLY 104 Ca 0.08 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 3hg2 n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hg2 s ARG 105 N -0.78 3.79 0.56 1.61 0.52 -1.26 -4.84 118.95 118.55 3hg2 s ARG 105 Ca 0.00 0.24 -0.20 0.00 -0.52 0.00 0.00 55.73 55.25 3hg2 s ARG 105 Cb 0.00 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 3hg2 s ARG 105 CO 0.00 0.37 1.25 -0.51 0.02 0.00 0.00 175.30 176.42 3hg2 s LEU 106 N -2.66 3.77 0.08 2.53 1.43 -1.26 -1.63 118.68 120.93 3hg2 s LEU 106 Ca 0.45 2.49 0.08 0.00 -1.03 0.00 0.00 54.13 56.12 3hg2 s LEU 106 Cb -0.12 -4.45 -0.03 0.00 0.03 0.00 0.00 46.19 41.62 3hg2 s LEU 106 CO 0.21 -1.50 -0.20 -1.10 0.23 0.00 0.00 176.35 173.99 3hg2 s GLN 107 N -3.11 1.20 0.55 1.70 -0.21 -1.26 -4.84 119.66 113.68 3hg2 s GLN 107 Ca 0.74 -1.05 -0.17 0.00 0.02 0.00 0.00 55.36 54.90 3hg2 s GLN 107 Cb -0.33 -1.38 -0.06 0.00 1.00 0.00 0.00 33.01 32.23 3hg2 s GLN 107 CO 0.38 0.33 1.03 0.00 -2.12 0.00 0.00 175.29 174.91 3hg2 s ALA 108 N -1.02 2.88 0.14 6.09 0.00 -1.26 -0.81 121.76 127.79 3hg2 s ALA 108 Ca 0.06 0.34 -0.33 0.00 0.00 0.00 0.00 51.96 52.03 3hg2 s ALA 108 Cb -0.09 -3.19 -0.13 0.00 0.00 0.00 0.00 23.12 19.71 3hg2 s ALA 108 CO 0.03 -0.51 1.68 -3.47 0.00 0.00 0.00 175.76 173.49 3hg2 n ASP 109 N -1.69 3.49 -0.03 0.00 2.03 -0.15 -4.05 116.55 116.15 3hg2 n ASP 109 Ca 0.08 1.05 -0.01 0.00 0.52 0.00 0.00 54.79 56.43 3hg2 n ASP 109 Cb 0.53 -1.47 0.26 0.00 -0.72 0.00 0.00 41.12 39.72 3hg2 n ASP 109 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hg2 h PRO 110 N 6.86 0.59 0.18 -0.67 0.13 -1.92 0.15 132.00 137.31 3hg2 h PRO 110 Ca -0.45 -0.13 -0.31 0.00 -0.87 0.00 0.00 66.00 64.24 3hg2 h PRO 110 Cb 1.24 -0.08 0.03 0.00 0.13 0.00 0.00 31.00 32.31 3hg2 h PRO 110 CO 0.92 0.61 -1.35 1.96 -0.23 0.00 0.00 178.00 179.91 3hg2 h GLN 111 N 0.56 0.47 0.00 0.86 7.50 -1.96 -3.04 115.11 119.49 3hg2 h GLN 111 Ca 0.12 -0.75 -0.26 0.00 0.50 0.00 0.00 58.65 58.26 3hg2 h GLN 111 Cb 0.35 0.27 -0.05 0.00 0.05 0.00 0.00 27.48 28.10 3hg2 h GLN 111 CO 0.01 1.35 -1.81 0.54 -1.50 0.00 0.00 178.83 177.42 3hg2 n ARG 112 N -3.67 0.64 -2.98 1.46 1.74 -1.21 -4.41 116.66 108.22 3hg2 n ARG 112 Ca -0.13 0.18 -0.24 0.00 -0.77 0.00 0.00 57.85 56.88 3hg2 n ARG 112 Cb 1.05 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 30.74 3hg2 n ARG 112 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3hg2 n PHE 113 N -2.89 2.80 0.33 -1.55 3.72 0.51 -1.30 117.46 119.09 3hg2 n PHE 113 Ca -0.18 -3.87 0.22 0.00 -0.05 0.00 0.00 57.45 53.56 3hg2 n PHE 113 Cb 1.00 -0.45 1.17 0.00 -0.94 0.00 0.00 39.48 40.26 3hg2 n PHE 113 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hg2 h PRO 114 N 2.97 0.00 -0.02 -1.08 0.13 -1.64 -1.55 132.00 130.82 3hg2 h PRO 114 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3hg2 h PRO 114 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3hg2 h PRO 114 CO 0.72 0.00 -0.27 0.72 -0.23 0.00 0.00 178.00 178.94 3hg2 n HIS 115 N -3.22 0.00 0.00 1.56 8.25 -1.26 -5.03 115.22 115.52 3hg2 n HIS 115 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3hg2 n HIS 115 Cb 0.07 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.16 3hg2 n HIS 115 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hg2 n GLY 116 N 1.36 -1.59 0.13 -1.41 0.00 -0.58 -4.12 105.19 98.98 3hg2 n GLY 116 Ca 0.12 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 3hg2 n GLY 116 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hg2 h ILE 117 N 0.00 1.48 -0.22 -0.61 1.08 -1.95 -3.07 117.51 114.22 3hg2 h ILE 117 Ca 0.00 -2.55 0.06 0.00 -0.39 0.00 0.00 64.86 61.98 3hg2 h ILE 117 Cb 0.00 2.42 -0.06 0.00 -3.07 0.00 0.00 36.82 36.11 3hg2 h ILE 117 CO 0.00 0.75 -0.18 -0.09 -0.69 0.00 0.00 178.15 177.93 3hg2 h ARG 118 N 0.13 -0.18 0.00 2.37 9.65 -1.83 0.16 114.38 124.67 3hg2 h ARG 118 Ca -0.04 0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.76 3hg2 h ARG 118 Cb 1.48 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 30.09 3hg2 h ARG 118 CO 0.13 -0.12 -0.45 1.96 2.80 0.00 0.00 179.97 184.30 3hg2 h GLN 119 N -0.19 0.00 -0.39 0.20 4.20 -1.71 -1.45 115.11 115.77 3hg2 h GLN 119 Ca 0.13 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.68 3hg2 h GLN 119 Cb 0.38 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3hg2 h GLN 119 CO -0.33 0.45 -0.37 1.25 -0.67 0.00 0.00 178.83 179.16 3hg2 h LEU 120 N 0.00 1.00 -0.38 1.46 5.85 -1.35 -1.46 115.31 120.43 3hg2 h LEU 120 Ca -0.00 -0.46 -0.05 0.00 0.84 0.00 0.00 57.88 58.20 3hg2 h LEU 120 Cb 1.12 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3hg2 h LEU 120 CO 0.06 1.25 0.05 0.00 -0.34 0.00 0.00 178.44 179.46 3hg2 h ALA 121 N 0.77 0.51 -0.51 1.25 0.00 -0.54 -0.57 119.26 120.16 3hg2 h ALA 121 Ca 0.06 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.83 3hg2 h ALA 121 Cb 0.96 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 3hg2 h ALA 121 CO 0.09 0.23 0.15 -0.91 0.00 0.00 0.00 179.25 178.81 3hg2 h ASN 122 N 0.48 0.09 -0.48 0.00 2.35 -1.24 0.13 115.58 116.92 3hg2 h ASN 122 Ca 0.11 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3hg2 h ASN 122 Cb 0.39 0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 3hg2 h ASN 122 CO 0.01 0.08 0.28 0.22 -1.65 0.00 0.00 177.43 176.36 3hg2 h TYR 123 N 0.30 0.64 -0.64 1.19 3.20 -1.08 -1.86 116.97 118.72 3hg2 h TYR 123 Ca 0.26 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 3hg2 h TYR 123 Cb 0.32 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3hg2 h TYR 123 CO -0.20 0.46 0.05 0.28 -1.64 0.00 0.00 178.16 177.11 3hg2 h VAL 124 N 0.63 1.27 -0.12 1.81 2.07 -0.70 -3.00 116.25 118.21 3hg2 h VAL 124 Ca 0.17 -1.11 -0.11 0.00 0.82 0.00 0.00 66.70 66.47 3hg2 h VAL 124 Cb 0.02 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3hg2 h VAL 124 CO -0.03 0.41 -0.41 0.45 0.02 0.00 0.00 177.57 178.01 3hg2 h HIS 125 N 1.01 0.30 0.00 1.57 3.86 -0.85 -1.57 115.15 119.48 3hg2 h HIS 125 Ca 0.19 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.28 3hg2 h HIS 125 Cb 0.51 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 3hg2 h HIS 125 CO 0.04 0.64 -0.18 0.66 0.86 0.00 0.00 177.93 179.94 3hg2 h SER 126 N 0.22 0.00 -0.07 2.45 4.64 -1.20 -0.53 113.55 119.05 3hg2 h SER 126 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3hg2 h SER 126 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3hg2 h SER 126 CO 0.07 0.18 0.00 0.29 -0.87 0.00 0.00 176.83 176.49 3hg2 n LYS 127 N -3.70 1.47 -1.00 4.77 4.76 -1.08 -4.91 118.16 118.47 3hg2 n LYS 127 Ca -0.02 -0.69 0.00 0.00 -2.87 0.00 0.00 58.31 54.73 3hg2 n LYS 127 Cb 0.30 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 3hg2 n LYS 127 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hg2 n GLY 128 N 1.06 0.44 3.89 0.72 0.00 -0.21 -4.93 105.19 106.16 3hg2 n GLY 128 Ca 0.18 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 3hg2 n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg2 s LEU 129 N 0.00 3.40 0.21 0.99 1.43 -0.61 -5.00 118.68 119.09 3hg2 s LEU 129 Ca 0.00 -0.73 0.10 0.00 -1.03 0.00 0.00 54.13 52.46 3hg2 s LEU 129 Cb 0.00 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3hg2 s LEU 129 CO 0.00 -0.68 -0.10 -0.54 0.23 0.00 0.00 176.35 175.26 3hg2 s LYS 130 N -4.16 2.01 -0.21 1.70 1.02 -0.49 -3.59 119.74 116.03 3hg2 s LYS 130 Ca 0.49 -1.36 -0.03 0.00 0.02 0.00 0.00 55.97 55.08 3hg2 s LYS 130 Cb -0.04 -2.10 -0.01 0.00 -0.52 0.00 0.00 37.83 35.17 3hg2 s LYS 130 CO 0.28 0.41 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.89 3hg2 s LEU 131 N -3.02 2.81 0.01 3.17 2.96 -1.26 -0.14 118.68 123.21 3hg2 s LEU 131 Ca 0.26 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.70 3hg2 s LEU 131 Cb -0.08 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 3hg2 s LEU 131 CO 0.15 0.01 0.27 -0.83 -1.32 0.00 0.00 176.35 174.63 3hg2 s GLY 132 N 1.32 2.25 0.41 7.98 0.00 0.10 -0.36 107.32 119.01 3hg2 s GLY 132 Ca 0.04 -0.58 0.04 0.00 0.00 0.00 0.00 44.72 44.22 3hg2 s GLY 132 CO -0.03 -0.40 0.14 -1.50 0.00 0.00 0.00 173.10 171.31 3hg2 s ILE 133 N -1.30 0.56 -0.01 0.90 2.07 0.00 -0.32 121.20 123.11 3hg2 s ILE 133 Ca 0.28 -2.00 0.02 0.00 -1.41 0.00 0.00 60.65 57.54 3hg2 s ILE 133 Cb -0.13 -2.35 -0.00 0.00 0.13 0.00 0.00 42.46 40.11 3hg2 s ILE 133 CO 0.16 0.00 -0.07 -0.47 -1.91 0.00 0.00 174.94 172.66 3hg2 s TYR 134 N -3.22 0.63 0.30 3.50 5.04 -1.18 -1.01 117.35 121.42 3hg2 s TYR 134 Ca 0.24 -0.13 -0.06 0.00 -2.44 0.00 0.00 57.07 54.69 3hg2 s TYR 134 Cb 0.02 -0.43 -0.00 0.00 0.35 0.00 0.00 41.96 41.90 3hg2 s TYR 134 CO 0.15 -0.03 0.44 0.00 -1.34 0.00 0.00 175.55 174.77 3hg2 s ALA 135 N -0.02 0.50 -0.00 3.97 0.00 -0.52 -4.93 121.76 120.76 3hg2 s ALA 135 Ca 0.01 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.66 3hg2 s ALA 135 Cb -0.04 1.15 -0.01 0.00 0.00 0.00 0.00 23.12 24.22 3hg2 s ALA 135 CO -0.00 -0.79 -0.10 0.34 0.00 0.00 0.00 175.76 175.20 3hg2 s ASP 136 N -3.16 1.22 0.33 0.00 -1.08 -1.26 -0.38 116.67 112.34 3hg2 s ASP 136 Ca 0.29 -0.22 0.13 0.00 -0.52 0.00 0.00 52.55 52.23 3hg2 s ASP 136 Cb 0.00 -0.13 0.56 0.00 -1.46 0.00 0.00 42.92 41.90 3hg2 s ASP 136 CO 0.16 0.11 1.72 1.62 0.52 0.00 0.00 175.17 179.30 3hg2 h VAL 137 N 4.85 1.29 -1.67 1.11 3.04 -1.28 0.15 116.25 123.74 3hg2 h VAL 137 Ca -0.32 -1.69 0.00 0.00 -1.01 0.00 0.00 66.70 63.68 3hg2 h VAL 137 Cb 1.18 1.92 0.00 0.00 -2.01 0.00 0.00 31.29 32.38 3hg2 h VAL 137 CO 0.49 0.47 0.00 0.61 -1.01 0.00 0.00 177.57 178.13 3hg2 n GLY 138 N -0.05 -0.31 0.15 3.17 0.00 -1.22 -3.15 105.19 103.79 3hg2 n GLY 138 Ca -0.01 -1.72 0.03 0.00 0.00 0.00 0.00 46.02 44.31 3hg2 n GLY 138 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hg2 h ASN 139 N 0.00 0.00 -4.49 1.61 2.35 -1.65 -2.82 115.58 110.59 3hg2 h ASN 139 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 3hg2 h ASN 139 Cb 0.00 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.21 3hg2 h ASN 139 CO 0.00 0.49 -0.71 -0.54 -1.65 0.00 0.00 177.43 175.02 3hg2 s LYS 140 N -3.13 0.84 1.03 0.81 1.02 -1.26 -1.04 119.74 118.00 3hg2 s LYS 140 Ca 0.03 -1.26 -0.13 0.00 0.02 0.00 0.00 55.97 54.63 3hg2 s LYS 140 Cb 0.09 -0.33 0.20 0.00 -0.52 0.00 0.00 37.83 37.27 3hg2 s LYS 140 CO 0.73 0.02 1.09 0.95 -0.92 0.00 0.00 175.35 177.22 3hg2 s THR 141 N -3.15 1.99 0.51 2.17 -4.23 0.13 -4.45 115.64 108.61 3hg2 s THR 141 Ca 0.09 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.80 3hg2 s THR 141 Cb 0.02 -2.47 0.27 0.00 1.34 0.00 0.00 72.50 71.66 3hg2 s THR 141 CO -0.03 0.00 2.13 0.00 -0.54 0.00 0.00 174.62 176.19 3hg2 n ALA 143 N -2.46 3.15 0.00 0.00 0.00 -1.26 -4.95 120.51 114.98 3hg2 n ALA 143 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3hg2 n ALA 143 Cb 0.13 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3hg2 n ALA 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hg2 n GLY 144 N 1.36 1.10 3.97 0.00 0.00 -0.73 -5.06 105.19 105.82 3hg2 n GLY 144 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 3hg2 n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hg2 s PHE 145 N -2.00 3.22 0.05 1.61 0.08 -1.26 -4.77 117.98 114.91 3hg2 s PHE 145 Ca 0.00 0.03 -0.37 0.00 0.12 0.00 0.00 56.93 56.71 3hg2 s PHE 145 Cb 0.00 -2.09 -0.17 0.00 -0.57 0.00 0.00 43.02 40.19 3hg2 s PHE 145 CO 0.00 -0.11 1.32 -2.30 -0.10 0.00 0.00 175.22 174.02 3hg2 n PRO 146 N -1.82 0.96 -2.82 0.24 -0.02 -1.26 0.17 135.00 130.44 3hg2 n PRO 146 Ca -0.01 0.35 -0.23 0.00 -2.02 0.00 0.00 63.50 61.59 3hg2 n PRO 146 Cb 0.58 -1.97 0.02 0.00 -0.02 0.00 0.00 33.50 32.11 3hg2 n PRO 146 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3hg2 s GLY 147 N 0.56 1.61 0.03 -1.23 0.00 -0.21 -4.35 107.32 103.74 3hg2 s GLY 147 Ca 0.86 -1.02 0.24 0.00 0.00 0.00 0.00 44.72 44.80 3hg2 s GLY 147 CO 0.50 -0.81 1.29 1.44 0.00 0.00 0.00 173.10 175.51 3hg2 n SER 148 N -2.22 0.59 -4.67 1.64 7.64 0.53 -4.84 113.62 112.31 3hg2 n SER 148 Ca 0.03 -0.25 -0.47 0.00 1.01 0.00 0.00 58.87 59.18 3hg2 n SER 148 Cb 0.58 0.40 -0.04 0.00 -1.01 0.00 0.00 64.21 64.13 3hg2 n SER 148 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3hg2 n PHE 149 N -1.67 2.24 -0.28 1.43 7.35 -1.10 0.04 117.46 125.47 3hg2 n PHE 149 Ca 0.04 0.22 0.00 0.00 -0.76 0.00 0.00 57.45 56.95 3hg2 n PHE 149 Cb 0.37 -2.56 0.00 0.00 0.35 0.00 0.00 39.48 37.64 3hg2 n PHE 149 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hg2 n GLY 150 N 3.65 1.41 0.18 7.13 0.00 -1.26 -4.84 105.19 111.45 3hg2 n GLY 150 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 3hg2 n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hg2 n TYR 151 N -2.00 0.00 -0.22 1.61 4.01 0.11 -4.91 117.16 115.76 3hg2 n TYR 151 Ca 0.00 -0.31 0.02 0.00 -0.16 0.00 0.00 57.90 57.45 3hg2 n TYR 151 Cb 0.00 -0.06 0.13 0.00 -0.31 0.00 0.00 39.34 39.10 3hg2 n TYR 151 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3hg2 h TYR 152 N 0.00 0.24 -0.21 -0.72 0.05 -1.78 0.65 116.97 115.19 3hg2 h TYR 152 Ca 0.00 0.04 -0.19 0.00 0.05 0.00 0.00 58.73 58.63 3hg2 h TYR 152 Cb 1.04 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.78 3hg2 h TYR 152 CO 0.03 -0.04 -0.60 -0.44 -1.05 0.00 0.00 178.16 176.06 3hg2 h ASP 153 N 0.27 0.89 0.18 3.88 3.32 -1.91 -1.81 116.42 121.25 3hg2 h ASP 153 Ca 0.35 -0.58 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 3hg2 h ASP 153 Cb 0.54 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3hg2 h ASP 153 CO -0.43 1.31 -0.09 0.40 -1.72 0.00 0.00 179.24 178.71 3hg2 h ILE 154 N 0.51 0.92 -0.60 0.35 2.04 -1.76 -2.63 117.51 116.34 3hg2 h ILE 154 Ca -0.02 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.36 3hg2 h ILE 154 Cb 1.22 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 3hg2 h ILE 154 CO 0.13 0.12 0.35 0.44 0.00 0.00 0.00 178.15 179.18 3hg2 h ASP 155 N -0.50 0.54 -0.81 1.72 3.45 0.23 -1.28 116.42 119.76 3hg2 h ASP 155 Ca -0.02 0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.41 3hg2 h ASP 155 Cb 0.38 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 39.02 3hg2 h ASP 155 CO 0.04 0.36 0.35 0.00 -1.57 0.00 0.00 179.24 178.42 3hg2 h ALA 156 N 1.29 1.08 -0.35 3.45 0.00 -1.38 -2.25 119.26 121.11 3hg2 h ALA 156 Ca 0.26 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3hg2 h ALA 156 Cb 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hg2 h ALA 156 CO -0.14 0.66 -0.19 0.37 0.00 0.00 0.00 179.25 179.96 3hg2 h GLN 157 N 1.17 0.74 -0.11 0.00 5.75 -1.05 -2.46 115.11 119.15 3hg2 h GLN 157 Ca 0.27 -0.33 -0.06 0.00 -0.15 0.00 0.00 58.65 58.38 3hg2 h GLN 157 Cb 0.18 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 3hg2 h GLN 157 CO -0.03 0.94 -0.22 0.00 -2.65 0.00 0.00 178.83 176.87 3hg2 h THR 158 N 0.51 1.21 -0.33 2.39 1.03 -1.12 0.71 112.91 117.32 3hg2 h THR 158 Ca 0.07 -0.98 -0.03 0.00 -0.01 0.00 0.00 66.41 65.47 3hg2 h THR 158 Cb 0.73 1.38 -0.01 0.00 -1.07 0.00 0.00 68.15 69.18 3hg2 h THR 158 CO 0.05 0.29 0.10 -0.26 -0.01 0.00 0.00 175.52 175.70 3hg2 h PHE 159 N 0.17 0.54 -0.66 0.00 0.04 -1.32 -1.50 116.94 114.20 3hg2 h PHE 159 Ca 0.03 -0.06 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 3hg2 h PHE 159 Cb 0.49 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.46 3hg2 h PHE 159 CO 0.01 0.54 0.20 0.00 -0.60 0.00 0.00 178.31 178.46 3hg2 h ALA 160 N 0.94 0.87 -0.90 2.45 0.00 -0.95 -0.53 119.26 121.13 3hg2 h ALA 160 Ca 0.11 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3hg2 h ALA 160 Cb 0.26 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3hg2 h ALA 160 CO -0.00 0.55 0.59 -0.44 0.00 0.00 0.00 179.25 179.95 3hg2 h ASP 161 N 0.96 1.00 1.06 0.00 3.32 -0.80 -2.00 116.42 119.97 3hg2 h ASP 161 Ca 0.21 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3hg2 h ASP 161 Cb 0.31 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3hg2 h ASP 161 CO -0.00 0.71 0.00 0.79 -1.72 0.00 0.00 179.24 179.01 3hg2 n TRP 162 N -4.42 0.73 -1.37 4.55 8.01 -0.57 -4.91 117.44 119.46 3hg2 n TRP 162 Ca 0.11 0.25 0.00 0.00 -1.31 0.00 0.00 57.50 56.55 3hg2 n TRP 162 Cb 0.06 -0.90 0.00 0.00 -2.01 0.00 0.00 31.31 28.46 3hg2 n TRP 162 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hg2 n GLY 163 N 0.69 0.83 3.77 6.99 0.00 -0.75 -4.30 105.19 112.41 3hg2 n GLY 163 Ca 0.04 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 3hg2 n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hg2 s VAL 164 N -2.00 3.10 -0.21 1.61 1.01 -0.27 -4.73 120.40 118.90 3hg2 s VAL 164 Ca 0.00 1.08 0.07 0.00 0.00 0.00 0.00 61.98 63.13 3hg2 s VAL 164 Cb 0.00 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 3hg2 s VAL 164 CO 0.00 0.24 0.25 0.47 0.00 0.00 0.00 175.10 176.06 3hg2 n ASP 165 N 0.84 1.51 -3.75 3.32 8.00 0.51 -4.73 116.55 122.26 3hg2 n ASP 165 Ca 0.00 -0.40 -0.13 0.00 0.71 0.00 0.00 54.79 54.97 3hg2 n ASP 165 Cb 0.44 1.14 -0.10 0.00 -0.02 0.00 0.00 41.12 42.57 3hg2 n ASP 165 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hg2 s LEU 166 N -2.81 0.68 -0.13 0.64 0.20 -0.97 -0.86 118.68 115.43 3hg2 s LEU 166 Ca 0.01 0.60 0.01 0.00 0.69 0.00 0.00 54.13 55.44 3hg2 s LEU 166 Cb 0.05 1.23 0.02 0.00 -0.43 0.00 0.00 46.19 47.06 3hg2 s LEU 166 CO 0.30 -0.18 -0.15 -0.22 -0.29 0.00 0.00 176.35 175.81 3hg2 s LEU 167 N -0.09 1.70 -0.31 -0.68 2.96 0.10 -0.82 118.68 121.55 3hg2 s LEU 167 Ca -0.02 -0.45 -0.16 0.00 -0.22 0.00 0.00 54.13 53.27 3hg2 s LEU 167 Cb -0.03 -1.13 -0.02 0.00 0.50 0.00 0.00 46.19 45.52 3hg2 s LEU 167 CO 0.01 -0.02 0.44 -0.75 -1.32 0.00 0.00 176.35 174.72 3hg2 s LYS 168 N 1.20 3.79 -0.32 1.98 2.20 -0.18 -0.21 119.74 128.20 3hg2 s LYS 168 Ca -0.02 -0.09 -0.04 0.00 -0.36 0.00 0.00 55.97 55.47 3hg2 s LYS 168 Cb -0.14 -3.74 0.05 0.00 -1.51 0.00 0.00 37.83 32.49 3hg2 s LYS 168 CO -0.05 -0.47 0.06 0.12 -0.36 0.00 0.00 175.35 174.65 3hg2 s PHE 169 N 2.21 3.27 0.70 4.03 5.36 0.61 -1.43 117.98 132.73 3hg2 s PHE 169 Ca 0.16 -1.67 -0.04 0.00 -0.96 0.00 0.00 56.93 54.42 3hg2 s PHE 169 Cb -0.16 -2.25 0.08 0.00 -0.34 0.00 0.00 43.02 40.36 3hg2 s PHE 169 CO 0.11 -0.78 0.99 0.34 -1.46 0.00 0.00 175.22 174.43 3hg2 s ASP 170 N 1.36 4.63 -0.07 6.13 -1.08 0.49 -2.27 116.67 125.87 3hg2 s ASP 170 Ca -0.03 0.14 0.10 0.00 -0.52 0.00 0.00 52.55 52.24 3hg2 s ASP 170 Cb -0.20 -0.72 0.15 0.00 -1.46 0.00 0.00 42.92 40.69 3hg2 s ASP 170 CO 0.01 -1.68 1.04 0.61 0.52 0.00 0.00 175.17 175.67 3hg2 n GLY 171 N -2.86 3.25 3.79 2.66 0.00 -1.26 -0.86 105.19 109.89 3hg2 n GLY 171 Ca 0.10 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 3hg2 n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hg2 n TYR 173 N -2.85 -1.91 -3.44 0.00 4.01 -1.26 -3.37 117.16 108.34 3hg2 n TYR 173 Ca 0.09 0.83 -0.22 0.00 -0.16 0.00 0.00 57.90 58.43 3hg2 n TYR 173 Cb 0.53 -4.01 -0.11 0.00 -0.31 0.00 0.00 39.34 35.44 3hg2 n TYR 173 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hg2 n ASP 175 N 4.81 1.87 -4.64 0.00 8.00 -1.26 -4.86 116.55 120.46 3hg2 n ASP 175 Ca 0.03 -1.52 -0.35 0.00 0.71 0.00 0.00 54.79 53.65 3hg2 n ASP 175 Cb 0.43 0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.51 3hg2 n ASP 175 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hg2 s SER 176 N -2.15 5.84 0.25 -2.24 0.15 -1.26 -5.00 113.70 109.29 3hg2 s SER 176 Ca 0.31 0.09 -0.06 0.00 0.70 0.00 0.00 55.95 56.99 3hg2 s SER 176 Cb 0.20 -2.03 0.26 0.00 -1.71 0.00 0.00 66.02 62.74 3hg2 s SER 176 CO 0.39 0.12 1.90 0.25 1.20 0.00 0.00 173.24 177.10 3hg2 h LEU 177 N 7.10 1.12 0.14 3.45 6.46 -1.97 -1.98 115.31 129.63 3hg2 h LEU 177 Ca -0.38 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.31 3hg2 h LEU 177 Cb 1.17 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.82 3hg2 h LEU 177 CO 0.69 0.85 -0.07 -0.33 -0.62 0.00 0.00 178.44 178.96 3hg2 h GLU 178 N 1.29 -0.18 -0.80 1.25 5.08 -2.00 -2.61 114.58 116.60 3hg2 h GLU 178 Ca 0.34 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.80 3hg2 h GLU 178 Cb -0.07 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.15 3hg2 h GLU 178 CO -0.06 -0.02 0.46 -0.91 -1.00 0.00 0.00 179.01 177.47 3hg2 h ASN 179 N -0.32 0.66 0.33 1.42 -0.26 -1.95 -0.62 115.58 114.84 3hg2 h ASN 179 Ca -0.02 0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 3hg2 h ASN 179 Cb 0.25 -0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.40 3hg2 h ASN 179 CO 0.03 0.38 -0.43 0.25 -1.06 0.00 0.00 177.43 176.61 3hg2 h LEU 180 N 0.78 -1.21 -0.17 1.61 5.85 -1.23 0.14 115.31 121.09 3hg2 h LEU 180 Ca 0.38 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.21 3hg2 h LEU 180 Cb 0.33 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 3hg2 h LEU 180 CO -0.24 -0.56 0.08 0.00 -0.34 0.00 0.00 178.44 177.39 3hg2 h ALA 181 N -0.45 0.22 -0.95 1.25 0.00 -1.28 -2.23 119.26 115.81 3hg2 h ALA 181 Ca -0.02 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.88 3hg2 h ALA 181 Cb 0.75 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 3hg2 h ALA 181 CO -0.12 -0.22 0.61 -0.44 0.00 0.00 0.00 179.25 179.08 3hg2 h ASP 182 N 0.15 0.95 -0.08 0.00 5.19 -1.03 -1.36 116.42 120.23 3hg2 h ASP 182 Ca 0.06 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 3hg2 h ASP 182 Cb 0.12 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.43 3hg2 h ASP 182 CO -0.01 0.59 -0.03 1.23 -3.12 0.00 0.00 179.24 177.91 3hg2 h GLY 183 N 1.07 0.17 1.41 2.75 0.00 -0.53 0.46 103.07 108.40 3hg2 h GLY 183 Ca 0.42 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 3hg2 h GLY 183 CO -0.17 0.14 -0.00 -0.97 0.00 0.00 0.00 176.54 175.54 3hg2 h TYR 184 N -0.19 0.76 -0.15 5.60 0.05 -1.23 -0.14 116.97 121.68 3hg2 h TYR 184 Ca 0.02 -0.10 -0.08 0.00 0.05 0.00 0.00 58.73 58.62 3hg2 h TYR 184 Cb 0.45 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 37.97 3hg2 h TYR 184 CO 0.06 0.71 -0.22 0.87 -1.05 0.00 0.00 178.16 178.53 3hg2 h LYS 185 N 0.68 0.41 0.19 4.88 1.57 -1.27 -2.67 116.57 120.36 3hg2 h LYS 185 Ca 0.14 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3hg2 h LYS 185 Cb 0.42 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3hg2 h LYS 185 CO 0.02 0.83 -0.25 1.25 -0.57 0.00 0.00 179.45 180.73 3hg2 h HIS 186 N 0.03 -0.67 -0.52 -1.35 2.76 -0.68 -2.64 115.15 112.09 3hg2 h HIS 186 Ca 0.01 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3hg2 h HIS 186 Cb 0.79 0.27 -0.03 0.00 1.55 0.00 0.00 27.41 29.99 3hg2 h HIS 186 CO 0.09 -0.36 0.32 1.98 -1.30 0.00 0.00 177.93 178.66 3hg2 h MET 187 N -0.50 0.69 -0.17 5.26 1.85 -1.11 0.18 114.93 121.13 3hg2 h MET 187 Ca 0.01 -0.05 0.03 0.00 -0.61 0.00 0.00 59.70 59.07 3hg2 h MET 187 Cb 0.49 -0.15 -0.03 0.00 0.43 0.00 0.00 31.60 32.34 3hg2 h MET 187 CO -0.09 0.48 -0.00 1.03 -0.40 0.00 0.00 176.91 177.93 3hg2 h SER 188 N 0.71 -0.06 0.19 1.39 0.87 -1.26 -0.89 113.55 114.49 3hg2 h SER 188 Ca 0.19 0.04 -0.18 0.00 -1.23 0.00 0.00 61.79 60.61 3hg2 h SER 188 Cb -0.04 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3hg2 h SER 188 CO -0.04 -0.01 -0.68 -0.07 -0.53 0.00 0.00 176.83 175.50 3hg2 h LEU 189 N 0.05 0.52 -0.74 2.23 3.38 -1.08 -2.47 115.31 117.22 3hg2 h LEU 189 Ca 0.08 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.76 3hg2 h LEU 189 Cb 0.09 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3hg2 h LEU 189 CO -0.13 1.06 0.46 0.00 0.09 0.00 0.00 178.44 179.91 3hg2 h ALA 190 N 0.94 0.97 -0.46 1.53 0.00 -0.46 -1.09 119.26 120.69 3hg2 h ALA 190 Ca -0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3hg2 h ALA 190 Cb 1.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3hg2 h ALA 190 CO 0.12 0.23 -0.10 -0.07 0.00 0.00 0.00 179.25 179.43 3hg2 h LEU 191 N 0.88 0.89 -0.90 0.00 3.38 -1.13 -3.18 115.31 115.25 3hg2 h LEU 191 Ca 0.30 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3hg2 h LEU 191 Cb 0.05 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.49 3hg2 h LEU 191 CO -0.12 1.04 0.56 -1.13 0.09 0.00 0.00 178.44 178.88 3hg2 h ASN 192 N 0.73 0.88 0.81 -0.43 -0.73 -0.93 -2.60 115.58 113.30 3hg2 h ASN 192 Ca 0.12 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.31 3hg2 h ASN 192 Cb 0.65 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.07 3hg2 h ASN 192 CO 0.04 0.55 0.00 0.03 -0.37 0.00 0.00 177.43 177.68 3hg2 h ARG 193 N 1.01 0.00 0.00 6.67 3.08 -1.20 -2.52 114.38 121.42 3hg2 h ARG 193 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 3hg2 h ARG 193 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3hg2 h ARG 193 CO -0.18 0.00 0.00 1.79 -1.07 0.00 0.00 179.97 180.51 3hg2 h THR 194 N 0.00 0.00 0.00 2.04 1.35 -1.52 -3.46 112.91 111.32 3hg2 h THR 194 Ca 0.00 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3hg2 h THR 194 Cb 0.40 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3hg2 h THR 194 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3hg2 n GLY 195 N 0.35 0.76 3.77 5.82 0.00 -0.95 -5.00 105.19 109.95 3hg2 n GLY 195 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3hg2 n GLY 195 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hg2 s ARG 196 N -0.28 4.48 -0.62 1.61 3.00 -1.26 -5.02 118.95 120.86 3hg2 s ARG 196 Ca 0.00 1.04 -0.28 0.00 -1.00 0.00 0.00 55.73 55.49 3hg2 s ARG 196 Cb 0.00 -3.30 0.03 0.00 0.00 0.00 0.00 34.95 31.68 3hg2 s ARG 196 CO 0.00 0.45 1.21 -1.12 0.00 0.00 0.00 175.30 175.84 3hg2 s SER 197 N -0.64 6.38 -0.11 -2.12 0.01 -1.26 -4.80 113.70 111.15 3hg2 s SER 197 Ca 0.36 -0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.59 3hg2 s SER 197 Cb -0.21 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.48 3hg2 s SER 197 CO 0.23 -1.56 -0.11 -0.63 0.41 0.00 0.00 173.24 171.58 3hg2 s ILE 198 N 5.13 1.26 0.05 1.44 1.01 -1.26 -4.69 121.20 124.14 3hg2 s ILE 198 Ca 0.41 -0.47 -0.31 0.00 0.00 0.00 0.00 60.65 60.28 3hg2 s ILE 198 Cb -0.08 -1.21 -0.07 0.00 0.01 0.00 0.00 42.46 41.12 3hg2 s ILE 198 CO 0.23 0.40 1.49 -0.69 0.00 0.00 0.00 174.94 176.37 3hg2 s VAL 199 N 1.33 3.37 -0.39 2.92 1.01 -0.04 -4.85 120.40 123.75 3hg2 s VAL 199 Ca -0.01 0.83 -0.12 0.00 0.00 0.00 0.00 61.98 62.69 3hg2 s VAL 199 Cb -0.14 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.75 3hg2 s VAL 199 CO -0.05 0.01 0.24 -0.47 0.00 0.00 0.00 175.10 174.83 3hg2 s TYR 200 N 2.24 3.25 -0.30 5.22 5.04 -1.26 0.01 117.35 131.55 3hg2 s TYR 200 Ca 0.68 -0.98 -0.08 0.00 -2.44 0.00 0.00 57.07 54.25 3hg2 s TYR 200 Cb -0.36 -2.58 0.00 0.00 0.35 0.00 0.00 41.96 39.38 3hg2 s TYR 200 CO 0.29 -0.68 0.12 0.45 -1.34 0.00 0.00 175.55 174.39 3hg2 s SER 201 N 1.71 5.34 0.07 4.32 0.15 0.71 -0.89 113.70 125.10 3hg2 s SER 201 Ca 0.03 -0.61 0.04 0.00 0.70 0.00 0.00 55.95 56.10 3hg2 s SER 201 Cb -0.20 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 3hg2 s SER 201 CO 0.07 -0.19 -0.01 0.00 1.20 0.00 0.00 173.24 174.30 3hg2 n GLU 203 N 0.81 3.01 -0.32 0.00 1.02 -0.96 -0.68 120.64 123.53 3hg2 n GLU 203 Ca -0.12 -2.46 -0.12 0.00 -0.02 0.00 0.00 57.16 54.44 3hg2 n GLU 203 Cb 0.52 -1.57 -0.10 0.00 -0.02 0.00 0.00 31.44 30.27 3hg2 n GLU 203 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3hg2 h TRP 204 N 2.22 -1.83 -0.76 -0.32 2.91 -1.82 -2.41 115.95 113.94 3hg2 h TRP 204 Ca 0.00 0.11 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 3hg2 h TRP 204 Cb 1.09 0.90 -0.04 0.00 -0.51 0.00 0.00 29.16 30.61 3hg2 h TRP 204 CO 0.40 -0.41 0.44 -1.00 -1.03 0.00 0.00 178.44 176.84 3hg2 h PRO 205 N -0.14 1.03 -0.96 2.65 0.13 -1.88 -2.53 132.00 130.29 3hg2 h PRO 205 Ca 0.13 -0.09 0.04 0.00 -0.87 0.00 0.00 66.00 65.20 3hg2 h PRO 205 Cb 0.48 -0.21 -0.06 0.00 0.13 0.00 0.00 31.00 31.34 3hg2 h PRO 205 CO -0.82 0.73 0.63 1.25 -0.23 0.00 0.00 178.00 179.56 3hg2 h LEU 206 N 1.04 1.04 -0.52 1.56 5.85 -1.01 -2.10 115.31 121.17 3hg2 h LEU 206 Ca 0.27 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3hg2 h LEU 206 Cb -0.03 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.77 3hg2 h LEU 206 CO -0.05 0.71 -0.14 -1.22 -0.34 0.00 0.00 178.44 177.40 3hg2 n TYR 207 N -4.44 0.00 0.08 1.25 4.01 -1.01 -3.71 117.16 113.34 3hg2 n TYR 207 Ca 0.13 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.68 3hg2 n TYR 207 Cb 0.11 -0.10 -0.15 0.00 -0.31 0.00 0.00 39.34 38.89 3hg2 n TYR 207 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 3hg2 h MET 208 N 1.27 0.33 -0.82 -0.72 2.86 -0.98 -3.41 114.93 113.46 3hg2 h MET 208 Ca 0.00 -0.56 0.20 0.00 -2.06 0.00 0.00 59.70 57.28 3hg2 h MET 208 Cb 0.44 0.21 -0.12 0.00 0.06 0.00 0.00 31.60 32.19 3hg2 h MET 208 CO 0.00 1.22 0.24 -1.49 1.06 0.00 0.00 176.91 177.94 3hg2 h TRP 209 N 0.09 0.38 0.00 -0.22 4.06 -1.60 0.46 115.95 119.13 3hg2 h TRP 209 Ca -0.28 0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.72 3hg2 h TRP 209 Cb 2.06 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 30.18 3hg2 h TRP 209 CO 0.08 -0.12 0.34 -1.35 -3.56 0.00 0.00 178.44 173.84 3hg2 h PRO 210 N 0.28 0.00 0.00 0.49 0.11 -1.81 -3.32 132.00 127.75 3hg2 h PRO 210 Ca 0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.59 3hg2 h PRO 210 Cb 0.91 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3hg2 h PRO 210 CO -0.56 0.00 -0.47 1.19 -0.21 0.00 0.00 178.00 177.95 3hg2 n PHE 211 N -2.54 0.00 -3.72 0.65 3.72 0.15 -5.12 117.46 110.60 3hg2 n PHE 211 Ca -0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.29 3hg2 n PHE 211 Cb 0.38 -0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 38.69 3hg2 n PHE 211 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3hg2 s GLN 212 N -2.30 1.36 0.23 -1.08 -2.07 -0.54 -5.14 119.66 110.11 3hg2 s GLN 212 Ca -0.10 -0.84 -0.30 0.00 -1.82 0.00 0.00 55.36 52.29 3hg2 s GLN 212 Cb 0.02 0.52 -0.10 0.00 -1.09 0.00 0.00 33.01 32.36 3hg2 s GLN 212 CO 0.15 -0.58 1.46 -1.59 -1.32 0.00 0.00 175.29 173.42 3hg2 s LYS 213 N -3.86 4.26 0.47 9.60 0.00 -1.26 -3.71 119.74 125.24 3hg2 s LYS 213 Ca 0.08 2.30 -0.23 0.00 0.00 0.00 0.00 55.97 58.13 3hg2 s LYS 213 Cb -0.01 -3.12 -0.07 0.00 0.00 0.00 0.00 37.83 34.63 3hg2 s LYS 213 CO -0.04 -0.46 1.24 -2.14 0.00 0.00 0.00 175.35 173.96 3hg2 s PRO 214 N -0.03 3.62 -0.53 1.78 0.02 -1.26 -5.00 135.00 133.60 3hg2 s PRO 214 Ca 0.61 1.97 -0.22 0.00 0.02 0.00 0.00 61.00 63.38 3hg2 s PRO 214 Cb -0.42 -2.42 0.05 0.00 0.02 0.00 0.00 34.50 31.72 3hg2 s PRO 214 CO 0.40 -0.73 0.82 1.21 -0.33 0.00 0.00 177.00 178.38 3hg2 s ASN 215 N -1.14 6.30 0.29 2.53 3.84 -1.26 -4.93 114.94 120.57 3hg2 s ASN 215 Ca 0.65 -0.54 0.15 0.00 0.21 0.00 0.00 52.86 53.33 3hg2 s ASN 215 Cb -0.34 -2.38 0.21 0.00 -0.55 0.00 0.00 41.25 38.20 3hg2 s ASN 215 CO 0.41 -1.09 1.51 1.88 -2.79 0.00 0.00 177.10 177.02 3hg2 h TYR 216 N 9.18 0.00 -0.65 0.43 0.05 -1.94 -2.41 116.97 121.63 3hg2 h TYR 216 Ca -0.27 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.50 3hg2 h TYR 216 Cb 1.08 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.79 3hg2 h TYR 216 CO 0.85 0.52 0.34 1.15 -1.05 0.00 0.00 178.16 179.96 3hg2 h THR 217 N 0.00 1.21 -0.21 -2.88 2.02 -1.97 -1.24 112.91 109.85 3hg2 h THR 217 Ca -0.01 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.54 3hg2 h THR 217 Cb 1.29 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 3hg2 h THR 217 CO 0.07 0.24 -0.12 -0.08 0.37 0.00 0.00 175.52 176.00 3hg2 h GLU 218 N 0.89 0.46 -0.75 6.66 4.81 -1.95 -2.84 114.58 121.85 3hg2 h GLU 218 Ca 0.23 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3hg2 h GLU 218 Cb 0.08 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 3hg2 h GLU 218 CO -0.03 0.75 0.45 0.82 -0.73 0.00 0.00 179.01 180.27 3hg2 h ILE 219 N 0.16 1.21 -0.82 2.32 2.04 -1.39 -2.66 117.51 118.37 3hg2 h ILE 219 Ca 0.05 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.45 3hg2 h ILE 219 Cb 0.62 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 3hg2 h ILE 219 CO 0.03 0.22 0.54 -0.09 0.00 0.00 0.00 178.15 178.86 3hg2 h ARG 220 N 1.03 1.05 -0.29 2.37 2.43 -1.22 -0.39 114.38 119.36 3hg2 h ARG 220 Ca 0.27 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 3hg2 h ARG 220 Cb -0.03 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 3hg2 h ARG 220 CO -0.05 0.70 0.20 0.37 -1.51 0.00 0.00 179.97 179.68 3hg2 h GLN 221 N 1.09 0.14 0.00 0.20 4.15 -1.22 0.25 115.11 119.71 3hg2 h GLN 221 Ca 0.30 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.68 3hg2 h GLN 221 Cb -0.09 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 3hg2 h GLN 221 CO -0.07 0.09 -1.67 0.66 -1.93 0.00 0.00 178.83 175.91 3hg2 n TYR 222 N -4.48 0.00 -4.50 3.99 4.01 -0.76 -4.42 117.16 111.00 3hg2 n TYR 222 Ca 0.03 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.52 3hg2 n TYR 222 Cb 0.27 -0.36 -0.13 0.00 -0.31 0.00 0.00 39.34 38.80 3hg2 n TYR 222 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hg2 h ASN 224 N 4.47 0.00 -4.98 0.00 -0.26 -1.17 -0.93 115.58 112.70 3hg2 h ASN 224 Ca -0.45 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.33 3hg2 h ASN 224 Cb 1.17 0.00 -0.10 0.00 -1.06 0.00 0.00 38.32 38.32 3hg2 h ASN 224 CO 0.42 0.95 0.28 -1.38 -1.06 0.00 0.00 177.43 176.64 3hg2 s HIS 225 N -2.72 -0.38 -0.13 1.19 -3.43 -1.16 -1.45 115.29 107.22 3hg2 s HIS 225 Ca 0.00 0.10 -0.08 0.00 -0.80 0.00 0.00 55.06 54.29 3hg2 s HIS 225 Cb 0.09 0.61 0.05 0.00 -1.43 0.00 0.00 32.58 31.90 3hg2 s HIS 225 CO 0.81 -0.91 0.31 1.67 -2.00 0.00 0.00 174.74 174.63 3hg2 s TRP 226 N -3.66 -0.42 -0.06 0.38 -2.14 -0.87 -0.72 118.94 111.45 3hg2 s TRP 226 Ca 0.05 0.97 -0.30 0.00 2.66 0.00 0.00 56.10 59.48 3hg2 s TRP 226 Cb -0.02 0.14 -0.03 0.00 -3.10 0.00 0.00 33.47 30.45 3hg2 s TRP 226 CO -0.06 -0.26 1.18 1.03 -2.66 0.00 0.00 176.95 176.19 3hg2 s ARG 227 N 1.09 4.36 -0.16 3.25 1.81 0.15 -0.25 118.95 129.19 3hg2 s ARG 227 Ca -0.08 1.65 0.14 0.00 -1.72 0.00 0.00 55.73 55.72 3hg2 s ARG 227 Cb -0.08 -3.56 -0.24 0.00 -0.45 0.00 0.00 34.95 30.62 3hg2 s ARG 227 CO -0.08 -0.44 0.21 0.09 -0.68 0.00 0.00 175.30 174.39 3hg2 n ASN 228 N 5.19 0.51 -4.30 0.23 5.03 -1.18 -2.30 115.26 118.45 3hg2 n ASN 228 Ca 0.11 0.10 -0.16 0.00 0.87 0.00 0.00 54.58 55.50 3hg2 n ASN 228 Cb 0.46 0.51 -0.10 0.00 -1.02 0.00 0.00 39.78 39.63 3hg2 n ASN 228 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3hg2 s PHE 229 N -2.52 1.44 0.59 3.10 5.36 -1.26 -4.18 117.98 120.51 3hg2 s PHE 229 Ca -0.12 -1.09 -0.18 0.00 -0.96 0.00 0.00 56.93 54.58 3hg2 s PHE 229 Cb 0.07 -0.84 -0.07 0.00 -0.34 0.00 0.00 43.02 41.83 3hg2 s PHE 229 CO 0.80 -0.25 0.58 0.00 -1.46 0.00 0.00 175.22 174.89 3hg2 n ALA 230 N -0.39 -1.01 -1.56 11.12 0.00 -1.26 -4.88 120.51 122.53 3hg2 n ALA 230 Ca -0.03 -0.05 -0.48 0.00 0.00 0.00 0.00 53.44 52.89 3hg2 n ALA 230 Cb 0.65 -1.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 3hg2 n ALA 230 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hg2 n ASP 231 N 0.22 1.05 -4.79 0.00 9.92 -1.26 -4.96 116.55 116.73 3hg2 n ASP 231 Ca 0.12 1.15 -0.34 0.00 -0.53 0.00 0.00 54.79 55.19 3hg2 n ASP 231 Cb 0.48 -1.20 -0.00 0.00 -0.64 0.00 0.00 41.12 39.75 3hg2 n ASP 231 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3hg2 s ILE 232 N -0.50 3.57 0.24 0.53 2.07 -1.26 -5.08 121.20 120.78 3hg2 s ILE 232 Ca 0.69 0.88 0.02 0.00 -1.41 0.00 0.00 60.65 60.83 3hg2 s ILE 232 Cb -0.83 -3.35 -0.01 0.00 0.13 0.00 0.00 42.46 38.40 3hg2 s ILE 232 CO 0.55 -0.31 0.08 -0.90 -1.91 0.00 0.00 174.94 172.45 3hg2 n ASP 233 N -1.51 1.23 -3.73 4.50 5.68 -1.26 -4.96 116.55 116.50 3hg2 n ASP 233 Ca 0.10 -2.25 -0.42 0.00 -0.50 0.00 0.00 54.79 51.72 3hg2 n ASP 233 Cb 0.52 0.57 -0.00 0.00 -1.14 0.00 0.00 41.12 41.07 3hg2 n ASP 233 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3hg2 n ASP 234 N -1.71 5.66 -3.60 -1.12 -0.08 -1.26 -4.82 116.55 109.63 3hg2 n ASP 234 Ca -0.04 -3.03 -0.14 0.00 -1.51 0.00 0.00 54.79 50.07 3hg2 n ASP 234 Cb 0.35 -1.50 -0.06 0.00 2.34 0.00 0.00 41.12 42.26 3hg2 n ASP 234 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3hg2 s SER 235 N 1.29 -0.43 0.20 1.67 1.04 -1.26 -4.00 113.70 112.21 3hg2 s SER 235 Ca 0.46 0.23 -0.05 0.00 0.48 0.00 0.00 55.95 57.07 3hg2 s SER 235 Cb 0.13 0.47 0.15 0.00 0.10 0.00 0.00 66.02 66.87 3hg2 s SER 235 CO -0.04 -0.67 1.59 -0.25 0.98 0.00 0.00 173.24 174.86 3hg2 h TRP 236 N 2.96 0.89 -0.68 5.02 -0.00 -1.90 -2.85 115.95 119.39 3hg2 h TRP 236 Ca -0.30 -0.22 0.14 0.00 -0.00 0.00 0.00 58.89 58.50 3hg2 h TRP 236 Cb 1.20 -0.20 -0.10 0.00 -0.00 0.00 0.00 29.16 30.05 3hg2 h TRP 236 CO 0.39 0.97 0.13 -0.22 -0.00 0.00 0.00 178.44 179.70 3hg2 h LYS 237 N 0.66 0.23 -0.48 2.65 3.64 -1.95 -1.22 116.57 120.09 3hg2 h LYS 237 Ca 0.08 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 3hg2 h LYS 237 Cb 0.81 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 3hg2 h LYS 237 CO 0.07 0.16 -0.03 1.03 -2.27 0.00 0.00 179.45 178.40 3hg2 h SER 238 N 0.24 0.86 0.11 4.20 0.87 -1.85 -1.62 113.55 116.36 3hg2 h SER 238 Ca 0.37 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3hg2 h SER 238 Cb 0.61 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3hg2 h SER 238 CO -0.48 0.98 -0.05 0.40 -0.53 0.00 0.00 176.83 177.14 3hg2 h ILE 239 N 0.73 0.90 -0.53 2.23 1.08 -1.21 -1.94 117.51 118.76 3hg2 h ILE 239 Ca 0.13 -0.03 0.10 0.00 -0.39 0.00 0.00 64.86 64.68 3hg2 h ILE 239 Cb 0.55 0.92 -0.08 0.00 -3.07 0.00 0.00 36.82 35.14 3hg2 h ILE 239 CO 0.03 0.01 0.04 0.11 -0.69 0.00 0.00 178.15 177.65 3hg2 h LYS 240 N -0.16 0.16 -0.41 2.37 1.57 -1.18 -0.59 116.57 118.32 3hg2 h LYS 240 Ca -0.02 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 3hg2 h LYS 240 Cb 0.13 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3hg2 h LYS 240 CO 0.03 0.11 -0.15 0.66 -0.57 0.00 0.00 179.45 179.52 3hg2 h SER 241 N 0.17 0.77 -0.48 0.86 4.64 -1.09 0.56 113.55 118.97 3hg2 h SER 241 Ca 0.27 -0.25 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 3hg2 h SER 241 Cb 0.41 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 3hg2 h SER 241 CO -0.41 0.93 0.14 0.40 -0.87 0.00 0.00 176.83 177.01 3hg2 h ILE 242 N 0.69 1.23 -0.25 0.95 2.04 -0.99 -1.17 117.51 120.01 3hg2 h ILE 242 Ca 0.11 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 3hg2 h ILE 242 Cb 0.64 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3hg2 h ILE 242 CO 0.05 0.29 0.05 -0.07 0.00 0.00 0.00 178.15 178.46 3hg2 h LEU 243 N 0.65 0.39 -0.72 1.44 3.38 -0.82 -1.84 115.31 117.78 3hg2 h LEU 243 Ca 0.15 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3hg2 h LEU 243 Cb 0.30 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3hg2 h LEU 243 CO -0.00 0.54 0.24 0.44 0.09 0.00 0.00 178.44 179.74 3hg2 h ASP 244 N 0.23 1.04 -0.40 -0.43 3.32 -0.87 -0.38 116.42 118.93 3hg2 h ASP 244 Ca 0.08 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 3hg2 h ASP 244 Cb 0.31 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3hg2 h ASP 244 CO 0.00 0.96 0.23 -0.25 -1.72 0.00 0.00 179.24 178.47 3hg2 h TRP 245 N 1.06 0.53 0.07 4.55 7.01 -1.17 -0.23 115.95 127.77 3hg2 h TRP 245 Ca 0.23 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.22 3hg2 h TRP 245 Cb 0.29 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.18 3hg2 h TRP 245 CO 0.02 0.39 -0.03 1.15 -2.79 0.00 0.00 178.44 177.18 3hg2 h THR 246 N 0.52 1.01 -0.50 2.65 2.02 -0.97 -0.75 112.91 116.89 3hg2 h THR 246 Ca 0.14 -0.26 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 3hg2 h THR 246 Cb 0.02 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3hg2 h THR 246 CO -0.03 0.06 -0.04 0.77 0.37 0.00 0.00 175.52 176.66 3hg2 h SER 247 N -0.21 0.83 -0.51 4.18 4.64 -1.06 0.14 113.55 121.56 3hg2 h SER 247 Ca -0.01 -0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 61.04 3hg2 h SER 247 Cb 0.18 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 3hg2 h SER 247 CO 0.02 0.92 0.18 0.15 -0.87 0.00 0.00 176.83 177.22 3hg2 h PHE 248 N 0.79 0.85 -0.70 4.77 3.57 -0.87 -3.10 116.94 122.25 3hg2 h PHE 248 Ca 0.14 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3hg2 h PHE 248 Cb 0.52 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.01 3hg2 h PHE 248 CO 0.03 0.69 0.00 0.09 -2.23 0.00 0.00 178.31 176.89 3hg2 n ASN 249 N -4.30 3.92 0.03 0.41 3.02 -0.30 -4.71 115.26 113.33 3hg2 n ASN 249 Ca 0.04 -2.03 0.02 0.00 -0.03 0.00 0.00 54.58 52.59 3hg2 n ASN 249 Cb 0.20 -0.47 0.36 0.00 -0.61 0.00 0.00 39.78 39.26 3hg2 n ASN 249 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 3hg2 h GLN 250 N 4.07 0.47 0.00 3.52 3.07 -0.89 -0.04 115.11 125.30 3hg2 h GLN 250 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.67 3hg2 h GLN 250 Cb 0.99 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.47 3hg2 h GLN 250 CO 0.01 0.44 0.00 1.49 0.09 0.00 0.00 178.83 180.87 3hg2 h GLU 251 N 0.46 0.00 0.00 0.06 4.81 -1.84 -1.07 114.58 116.99 3hg2 h GLU 251 Ca 0.11 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.09 3hg2 h GLU 251 Cb 0.20 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 3hg2 h GLU 251 CO -0.00 0.00 -2.17 0.54 -0.73 0.00 0.00 179.01 176.65 3hg2 n ARG 252 N -2.64 0.67 -0.01 1.92 5.12 -0.04 -4.76 116.66 116.92 3hg2 n ARG 252 Ca -0.02 -0.02 0.01 0.00 -1.93 0.00 0.00 57.85 55.89 3hg2 n ARG 252 Cb 0.09 -1.56 -0.04 0.00 -1.16 0.00 0.00 32.46 29.79 3hg2 n ARG 252 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 3hg2 n ILE 253 N -2.65 0.08 0.19 0.55 -5.35 -0.96 -4.77 119.36 106.45 3hg2 n ILE 253 Ca -0.23 -0.13 -0.14 0.00 -0.27 0.00 0.00 62.75 61.98 3hg2 n ILE 253 Cb 0.97 0.07 -0.08 0.00 -1.74 0.00 0.00 39.64 38.86 3hg2 n ILE 253 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3hg2 h VAL 254 N 0.00 0.70 0.00 7.28 2.07 -1.49 -3.18 116.25 121.63 3hg2 h VAL 254 Ca -0.03 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3hg2 h VAL 254 Cb 0.49 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3hg2 h VAL 254 CO 0.00 0.05 0.00 0.44 0.02 0.00 0.00 177.57 178.08 3hg2 h ASP 255 N -0.55 0.00 1.03 0.57 3.32 -1.88 -2.78 116.42 116.13 3hg2 h ASP 255 Ca -0.04 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 3hg2 h ASP 255 Cb 0.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3hg2 h ASP 255 CO 0.07 0.00 -0.42 -0.37 -1.72 0.00 0.00 179.24 176.81 3hg2 h VAL 256 N 0.00 0.87 -3.99 -1.35 -1.51 -1.85 -3.45 116.25 104.97 3hg2 h VAL 256 Ca 0.00 -1.73 -0.50 0.00 -1.23 0.00 0.00 66.70 63.24 3hg2 h VAL 256 Cb 0.52 2.08 0.05 0.00 -2.13 0.00 0.00 31.29 31.80 3hg2 h VAL 256 CO 0.00 0.41 0.46 0.00 -1.23 0.00 0.00 177.57 177.21 3hg2 s ALA 257 N -3.41 3.01 0.00 5.19 0.00 -1.05 -4.89 121.76 120.61 3hg2 s ALA 257 Ca 0.01 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.83 3hg2 s ALA 257 Cb 0.10 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3hg2 s ALA 257 CO 0.70 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.36 3hg2 n GLY 258 N 0.40 0.34 3.71 0.00 0.00 0.09 -4.59 105.19 105.14 3hg2 n GLY 258 Ca 0.07 -1.05 -0.59 0.00 0.00 0.00 0.00 46.02 44.44 3hg2 n GLY 258 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hg2 n PRO 259 N -0.53 0.99 -0.04 1.61 -0.02 -1.26 -0.63 135.00 135.12 3hg2 n PRO 259 Ca 0.00 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3hg2 n PRO 259 Cb 0.00 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3hg2 n PRO 259 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hg2 n GLY 260 N 4.25 0.43 3.15 -1.23 0.00 0.16 -4.89 105.19 107.07 3hg2 n GLY 260 Ca 0.28 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.34 3hg2 n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hg2 s GLY 261 N -1.67 -0.99 0.11 -0.02 0.00 0.19 -0.58 107.32 104.37 3hg2 s GLY 261 Ca 0.00 1.83 0.09 0.00 0.00 0.00 0.00 44.72 46.64 3hg2 s GLY 261 CO 0.00 3.43 -0.23 -0.98 0.00 0.00 0.00 173.10 175.32 3hg2 s TRP 262 N 2.86 2.00 0.23 1.90 0.52 -0.53 -0.74 118.94 125.19 3hg2 s TRP 262 Ca 0.19 -0.40 -0.30 0.00 0.02 0.00 0.00 56.10 55.61 3hg2 s TRP 262 Cb -0.14 -1.09 -0.09 0.00 -1.15 0.00 0.00 33.47 31.00 3hg2 s TRP 262 CO -0.21 0.25 1.12 -0.80 0.02 0.00 0.00 176.95 177.34 3hg2 s ASN 263 N -1.93 7.22 -0.34 2.95 0.01 -1.26 -2.04 114.94 119.54 3hg2 s ASN 263 Ca 0.09 2.21 -0.03 0.00 -0.71 0.00 0.00 52.86 54.43 3hg2 s ASN 263 Cb -0.10 -2.62 0.07 0.00 0.41 0.00 0.00 41.25 39.02 3hg2 s ASN 263 CO 0.05 -0.22 0.09 -0.62 -1.51 0.00 0.00 177.10 174.89 3hg2 s ASP 264 N -0.42 5.08 -0.00 -1.22 2.15 0.65 -4.24 116.67 118.67 3hg2 s ASP 264 Ca 0.48 -1.54 0.08 0.00 0.43 0.00 0.00 52.55 51.99 3hg2 s ASP 264 Cb -0.31 -1.77 0.22 0.00 -0.30 0.00 0.00 42.92 40.75 3hg2 s ASP 264 CO 0.38 -0.37 1.18 -0.81 -0.17 0.00 0.00 175.17 175.38 3hg2 n PRO 265 N 4.63 1.59 0.00 4.34 -0.04 -1.26 -3.10 135.00 141.16 3hg2 n PRO 265 Ca -0.09 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 3hg2 n PRO 265 Cb 0.43 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 3hg2 n PRO 265 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3hg2 n ASP 266 N 0.23 0.00 -4.75 3.54 -0.08 -1.26 -4.85 116.55 109.38 3hg2 n ASP 266 Ca 0.08 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.98 3hg2 n ASP 266 Cb 0.22 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.72 3hg2 n ASP 266 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3hg2 s MET 267 N -1.11 3.12 0.08 -0.67 -1.94 -1.26 -4.82 119.30 112.70 3hg2 s MET 267 Ca 0.00 2.27 -0.31 0.00 -1.71 0.00 0.00 55.69 55.95 3hg2 s MET 267 Cb 0.00 -2.26 -0.07 0.00 2.01 0.00 0.00 34.83 34.51 3hg2 s MET 267 CO 0.00 -1.22 1.35 -0.51 -0.01 0.00 0.00 175.02 174.63 3hg2 s LEU 268 N -3.53 4.36 -0.05 -0.03 1.43 -0.08 -4.91 118.68 115.87 3hg2 s LEU 268 Ca 0.72 2.21 0.08 0.00 -1.03 0.00 0.00 54.13 56.11 3hg2 s LEU 268 Cb -0.41 -3.58 0.18 0.00 0.03 0.00 0.00 46.19 42.41 3hg2 s LEU 268 CO 0.49 -0.63 1.13 1.33 0.23 0.00 0.00 176.35 178.90 3hg2 n VAL 269 N 4.11 1.34 -1.74 -1.59 0.24 -1.26 -0.47 118.33 118.95 3hg2 n VAL 269 Ca 0.11 -1.39 -0.42 0.00 -2.04 0.00 0.00 64.34 60.61 3hg2 n VAL 269 Cb 0.43 0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 33.04 3hg2 n VAL 269 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3hg2 n ILE 270 N -0.53 1.41 0.00 1.34 5.41 -1.26 -3.24 119.36 122.49 3hg2 n ILE 270 Ca 0.08 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.48 3hg2 n ILE 270 Cb 0.44 -1.88 0.00 0.00 -0.71 0.00 0.00 39.64 37.49 3hg2 n ILE 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hg2 n GLY 271 N 1.51 0.46 0.00 7.39 0.00 -1.26 -4.78 105.19 108.51 3hg2 n GLY 271 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3hg2 n GLY 271 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hg2 n ASN 272 N 0.00 0.00 0.00 1.61 3.02 -1.20 -4.76 115.26 113.93 3hg2 n ASN 272 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3hg2 n ASN 272 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3hg2 n ASN 272 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3hg2 n PHE 273 N 0.00 0.00 1.02 3.10 3.72 -1.26 -4.87 117.46 119.16 3hg2 n PHE 273 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 3hg2 n PHE 273 Cb 0.00 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.57 3hg2 n PHE 273 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hg2 n GLY 274 N 1.61 -0.92 3.59 1.37 0.00 -1.26 -4.91 105.19 104.68 3hg2 n GLY 274 Ca 0.00 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 3hg2 n GLY 274 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg2 s LEU 275 N -2.90 3.53 0.88 0.99 1.43 -1.26 -4.31 118.68 117.03 3hg2 s LEU 275 Ca 0.11 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 3hg2 s LEU 275 Cb 0.17 -1.85 0.12 0.00 0.03 0.00 0.00 46.19 44.65 3hg2 s LEU 275 CO 0.76 0.23 1.10 -0.94 0.23 0.00 0.00 176.35 177.73 3hg2 s SER 276 N 0.03 3.53 0.22 2.29 1.04 -1.26 -4.77 113.70 114.78 3hg2 s SER 276 Ca 0.03 1.78 -0.09 0.00 0.48 0.00 0.00 55.95 58.14 3hg2 s SER 276 Cb -0.13 -2.40 0.32 0.00 0.10 0.00 0.00 66.02 63.91 3hg2 s SER 276 CO 0.02 -2.65 1.69 -0.25 0.98 0.00 0.00 173.24 173.03 3hg2 h TRP 277 N -1.55 0.15 -0.47 5.02 2.91 -1.99 0.06 115.95 120.07 3hg2 h TRP 277 Ca -0.47 0.04 -0.05 0.00 1.13 0.00 0.00 58.89 59.54 3hg2 h TRP 277 Cb 1.26 0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.92 3hg2 h TRP 277 CO 0.49 -0.08 0.07 -0.91 -1.03 0.00 0.00 178.44 176.98 3hg2 h ASN 278 N 0.22 0.69 -0.07 2.65 2.35 -1.92 -0.70 115.58 118.80 3hg2 h ASN 278 Ca 0.33 -0.13 -0.14 0.00 -0.55 0.00 0.00 56.30 55.81 3hg2 h ASN 278 Cb 0.53 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3hg2 h ASN 278 CO -0.46 0.71 -0.43 1.56 -1.65 0.00 0.00 177.43 177.17 3hg2 h GLN 279 N 0.70 0.61 -0.50 0.81 4.20 -1.42 -1.08 115.11 118.42 3hg2 h GLN 279 Ca 0.15 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 3hg2 h GLN 279 Cb 0.33 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3hg2 h GLN 279 CO 0.00 0.92 0.26 1.96 -0.67 0.00 0.00 178.83 181.31 3hg2 h GLN 280 N 0.50 0.71 -0.45 1.46 4.20 -0.61 -1.75 115.11 119.17 3hg2 h GLN 280 Ca 0.04 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.69 3hg2 h GLN 280 Cb 0.95 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.56 3hg2 h GLN 280 CO 0.09 0.56 0.23 0.28 -0.67 0.00 0.00 178.83 179.32 3hg2 h VAL 281 N 0.67 0.98 -0.42 -0.54 2.07 -0.95 -1.75 116.25 116.30 3hg2 h VAL 281 Ca 0.18 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.59 3hg2 h VAL 281 Cb 0.07 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 3hg2 h VAL 281 CO -0.03 0.08 0.15 0.74 0.02 0.00 0.00 177.57 178.53 3hg2 h THR 282 N 0.46 0.86 -0.03 2.57 2.02 -1.01 -0.38 112.91 117.40 3hg2 h THR 282 Ca 0.19 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 3hg2 h THR 282 Cb 0.09 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3hg2 h THR 282 CO -0.13 0.06 0.02 -0.61 0.37 0.00 0.00 175.52 175.22 3hg2 h GLN 283 N 0.31 0.04 0.01 6.66 4.15 -0.99 -1.52 115.11 123.77 3hg2 h GLN 283 Ca 0.20 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.63 3hg2 h GLN 283 Cb 0.19 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3hg2 h GLN 283 CO -0.21 0.14 -0.08 1.98 -1.93 0.00 0.00 178.83 178.73 3hg2 h MET 284 N -0.06 -0.14 -0.57 1.69 4.05 -1.17 -0.74 114.93 117.99 3hg2 h MET 284 Ca 0.01 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.51 3hg2 h MET 284 Cb 0.11 0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 30.88 3hg2 h MET 284 CO -0.00 -0.09 0.26 0.00 0.23 0.00 0.00 176.91 177.30 3hg2 h ALA 285 N 0.83 0.73 0.08 0.39 0.00 -1.04 -2.42 119.26 117.83 3hg2 h ALA 285 Ca 0.03 0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 3hg2 h ALA 285 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hg2 h ALA 285 CO -0.08 -0.11 -1.15 -0.07 0.00 0.00 0.00 179.25 177.83 3hg2 h LEU 286 N 0.49 0.26 -1.70 0.00 -0.00 -1.11 -2.01 115.31 111.25 3hg2 h LEU 286 Ca 0.27 -0.28 -0.04 0.00 -0.00 0.00 0.00 57.88 57.83 3hg2 h LEU 286 Cb 0.24 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.80 3hg2 h LEU 286 CO -0.22 1.22 -0.18 -0.50 -0.00 0.00 0.00 178.44 178.76 3hg2 h TRP 287 N 0.05 0.00 -0.08 1.13 -0.00 -1.08 0.23 115.95 116.19 3hg2 h TRP 287 Ca -0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.77 3hg2 h TRP 287 Cb 1.90 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 31.05 3hg2 h TRP 287 CO 0.04 0.18 -0.07 0.00 -0.00 0.00 0.00 178.44 178.60 3hg2 h ALA 288 N 1.82 0.12 -0.93 1.49 0.00 -1.16 -2.33 119.26 118.26 3hg2 h ALA 288 Ca -0.00 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.69 3hg2 h ALA 288 Cb 0.38 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3hg2 h ALA 288 CO 0.02 -0.08 0.59 0.82 0.00 0.00 0.00 179.25 180.60 3hg2 h ILE 289 N -0.23 1.07 -0.00 0.00 1.08 -1.03 -3.03 117.51 115.38 3hg2 h ILE 289 Ca 0.01 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 3hg2 h ILE 289 Cb 0.56 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.21 3hg2 h ILE 289 CO 0.02 0.20 0.00 0.23 -0.69 0.00 0.00 178.15 177.90 3hg2 n MET 290 N -4.56 1.06 -3.88 2.37 2.81 0.04 -0.78 117.12 114.19 3hg2 n MET 290 Ca 0.14 -0.09 -0.26 0.00 -1.81 0.00 0.00 57.70 55.67 3hg2 n MET 290 Cb 0.17 -1.48 0.01 0.00 -0.71 0.00 0.00 33.22 31.21 3hg2 n MET 290 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hg2 n ALA 291 N -0.87 -1.73 -2.04 3.04 0.00 -1.14 -4.64 120.51 113.12 3hg2 n ALA 291 Ca 0.22 -0.08 -0.37 0.00 0.00 0.00 0.00 53.44 53.22 3hg2 n ALA 291 Cb 0.13 -2.69 -0.06 0.00 0.00 0.00 0.00 19.45 16.83 3hg2 n ALA 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hg2 s ALA 292 N -3.61 3.41 0.42 0.00 0.00 -0.88 -4.60 121.76 116.51 3hg2 s ALA 292 Ca 0.26 0.25 -0.26 0.00 0.00 0.00 0.00 51.96 52.21 3hg2 s ALA 292 Cb -0.13 -2.89 -0.10 0.00 0.00 0.00 0.00 23.12 20.00 3hg2 s ALA 292 CO 0.85 0.31 1.38 -2.30 0.00 0.00 0.00 175.76 175.99 3hg2 n PRO 293 N 0.99 2.20 -3.55 0.00 -0.02 -1.26 -4.78 135.00 128.57 3hg2 n PRO 293 Ca -0.03 0.78 -0.40 0.00 -2.02 0.00 0.00 63.50 61.83 3hg2 n PRO 293 Cb 0.50 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.40 3hg2 n PRO 293 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hg2 s LEU 294 N -2.11 5.85 -0.47 2.45 1.43 0.49 -4.87 118.68 121.46 3hg2 s LEU 294 Ca 0.59 -3.09 -0.12 0.00 -1.03 0.00 0.00 54.13 50.49 3hg2 s LEU 294 Cb -0.48 -2.00 0.10 0.00 0.03 0.00 0.00 46.19 43.83 3hg2 s LEU 294 CO 0.59 -0.37 0.36 -0.36 0.23 0.00 0.00 176.35 176.79 3hg2 s PHE 295 N -0.42 3.33 0.35 0.29 0.40 -1.26 -0.78 117.98 119.88 3hg2 s PHE 295 Ca 0.21 -1.47 -0.28 0.00 -0.60 0.00 0.00 56.93 54.79 3hg2 s PHE 295 Cb -0.13 -3.31 -0.11 0.00 0.51 0.00 0.00 43.02 39.98 3hg2 s PHE 295 CO -0.07 -0.91 1.39 -1.64 0.70 0.00 0.00 175.22 174.68 3hg2 s MET 296 N 1.48 4.25 -0.36 0.44 -1.94 -0.15 -0.90 119.30 122.12 3hg2 s MET 296 Ca 0.04 2.37 0.01 0.00 -1.71 0.00 0.00 55.69 56.40 3hg2 s MET 296 Cb -0.25 -3.03 0.11 0.00 2.01 0.00 0.00 34.83 33.67 3hg2 s MET 296 CO 0.02 -0.34 0.13 0.45 -0.01 0.00 0.00 175.02 175.27 3hg2 s SER 297 N -0.30 4.11 0.10 3.03 0.15 0.38 -0.59 113.70 120.58 3hg2 s SER 297 Ca 0.51 -2.04 -0.03 0.00 0.70 0.00 0.00 55.95 55.09 3hg2 s SER 297 Cb -0.43 -1.10 0.01 0.00 -1.71 0.00 0.00 66.02 62.79 3hg2 s SER 297 CO 0.57 -0.36 0.18 -0.46 1.20 0.00 0.00 173.24 174.37 3hg2 n ASN 298 N 4.34 -0.53 -4.21 5.45 0.23 -1.26 -4.44 115.26 114.83 3hg2 n ASN 298 Ca 0.02 -1.47 -0.37 0.00 -0.53 0.00 0.00 54.58 52.23 3hg2 n ASN 298 Cb 0.40 0.92 -0.12 0.00 -2.08 0.00 0.00 39.78 38.89 3hg2 n ASN 298 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3hg2 s ASP 299 N -1.58 5.27 0.32 0.53 -1.08 -1.26 -4.93 116.67 113.93 3hg2 s ASP 299 Ca 0.06 -1.49 0.24 0.00 -0.52 0.00 0.00 52.55 50.84 3hg2 s ASP 299 Cb -0.01 -1.85 1.15 0.00 -1.46 0.00 0.00 42.92 40.76 3hg2 s ASP 299 CO 0.04 -0.42 1.73 -0.07 0.52 0.00 0.00 175.17 176.98 3hg2 h LEU 300 N 8.16 0.00 0.00 -1.34 3.38 -1.98 -1.90 115.31 121.63 3hg2 h LEU 300 Ca -0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3hg2 h LEU 300 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3hg2 h LEU 300 CO 0.65 0.00 -0.10 0.03 0.09 0.00 0.00 178.44 179.11 3hg2 h ARG 301 N 0.00 0.00 -2.29 1.13 3.08 -1.95 -3.40 114.38 110.94 3hg2 h ARG 301 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3hg2 h ARG 301 Cb 0.19 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 29.86 3hg2 h ARG 301 CO 0.00 0.01 -1.00 0.72 -1.07 0.00 0.00 179.97 178.63 3hg2 n HIS 302 N -3.06 -0.79 -3.85 3.04 8.25 -0.71 -5.10 115.22 112.99 3hg2 n HIS 302 Ca 0.04 -3.36 -0.14 0.00 -0.26 0.00 0.00 57.72 53.99 3hg2 n HIS 302 Cb 0.53 0.14 -0.15 0.00 1.12 0.00 0.00 29.99 31.63 3hg2 n HIS 302 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3hg2 s ILE 303 N -0.20 0.02 0.62 1.59 2.07 -1.24 -4.68 121.20 119.38 3hg2 s ILE 303 Ca 0.33 0.10 -0.18 0.00 -1.41 0.00 0.00 60.65 59.50 3hg2 s ILE 303 Cb 0.07 -0.10 -0.02 0.00 0.13 0.00 0.00 42.46 42.54 3hg2 s ILE 303 CO -0.18 0.07 1.19 -0.94 -1.91 0.00 0.00 174.94 173.16 3hg2 s SER 304 N 0.64 5.07 0.41 4.50 1.04 -1.26 -4.87 113.70 119.22 3hg2 s SER 304 Ca -0.06 2.32 0.12 0.00 0.48 0.00 0.00 55.95 58.81 3hg2 s SER 304 Cb -0.08 -2.59 0.93 0.00 0.10 0.00 0.00 66.02 64.38 3hg2 s SER 304 CO -0.02 -1.67 1.95 -0.65 0.98 0.00 0.00 173.24 173.83 3hg2 h PRO 305 N 0.62 0.52 0.01 4.02 0.11 -2.01 -1.74 132.00 133.53 3hg2 h PRO 305 Ca -0.50 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 3hg2 h PRO 305 Cb 1.29 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hg2 h PRO 305 CO 0.54 0.34 -0.01 0.37 -0.21 0.00 0.00 178.00 179.04 3hg2 h GLN 306 N 0.53 -0.01 -0.73 1.05 4.15 -1.99 -1.32 115.11 116.78 3hg2 h GLN 306 Ca 0.32 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.71 3hg2 h GLN 306 Cb 0.54 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 3hg2 h GLN 306 CO -0.11 0.35 0.35 0.00 -1.93 0.00 0.00 178.83 177.49 3hg2 h ALA 307 N 0.60 0.95 -0.05 3.38 0.00 -1.91 -2.14 119.26 120.09 3hg2 h ALA 307 Ca -0.00 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3hg2 h ALA 307 Cb 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hg2 h ALA 307 CO 0.00 0.52 0.01 -0.22 0.00 0.00 0.00 179.25 179.56 3hg2 h LYS 308 N 1.03 0.03 -0.91 0.00 3.64 -1.32 -0.95 116.57 118.09 3hg2 h LYS 308 Ca 0.25 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.68 3hg2 h LYS 308 Cb 0.13 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.88 3hg2 h LYS 308 CO -0.03 0.02 0.58 0.00 -2.27 0.00 0.00 179.45 177.75 3hg2 h ALA 309 N 1.04 1.23 -0.19 5.00 0.00 -1.09 0.32 119.26 125.56 3hg2 h ALA 309 Ca 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hg2 h ALA 309 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3hg2 h ALA 309 CO -0.03 0.37 0.05 1.25 0.00 0.00 0.00 179.25 180.89 3hg2 h LEU 310 N 1.07 0.29 -1.39 0.00 5.85 -1.21 -1.69 115.31 118.23 3hg2 h LEU 310 Ca 0.38 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 3hg2 h LEU 310 Cb 0.11 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3hg2 h LEU 310 CO -0.15 0.44 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.03 3hg2 h LEU 311 N 0.12 0.00 -2.73 2.25 3.38 -0.78 -2.83 115.31 114.72 3hg2 h LEU 311 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hg2 h LEU 311 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3hg2 h LEU 311 CO 0.00 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.82 3hg2 n GLN 312 N -3.88 2.73 -1.62 1.13 6.02 0.07 -4.96 117.38 116.88 3hg2 n GLN 312 Ca -0.02 -2.67 -0.41 0.00 -0.01 0.00 0.00 57.00 53.90 3hg2 n GLN 312 Cb 0.37 -1.58 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 3hg2 n GLN 312 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hg2 s ASP 313 N -1.00 5.20 0.20 1.08 -1.08 -0.64 -4.88 116.67 115.55 3hg2 s ASP 313 Ca 0.50 1.64 -0.14 0.00 -0.52 0.00 0.00 52.55 54.02 3hg2 s ASP 313 Cb 0.26 -2.51 0.20 0.00 -1.46 0.00 0.00 42.92 39.41 3hg2 s ASP 313 CO 0.33 -2.20 1.64 0.11 0.52 0.00 0.00 175.17 175.58 3hg2 h LYS 314 N 16.16 0.01 -0.36 4.34 1.57 -1.92 -1.03 116.57 135.35 3hg2 h LYS 314 Ca -0.36 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.27 3hg2 h LYS 314 Cb 1.24 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 3hg2 h LYS 314 CO 1.02 0.01 -0.36 -0.44 -0.57 0.00 0.00 179.45 179.10 3hg2 h ASP 315 N 0.01 0.89 -0.13 0.86 3.32 -1.98 -0.28 116.42 119.10 3hg2 h ASP 315 Ca 0.27 -0.39 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 3hg2 h ASP 315 Cb 0.42 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3hg2 h ASP 315 CO -0.57 1.15 -0.28 0.58 -1.72 0.00 0.00 179.24 178.40 3hg2 h VAL 316 N 0.69 1.37 -0.79 -1.35 2.07 -1.90 -2.47 116.25 113.88 3hg2 h VAL 316 Ca 0.06 -1.55 0.04 0.00 0.82 0.00 0.00 66.70 66.07 3hg2 h VAL 316 Cb 0.93 2.03 -0.05 0.00 -1.52 0.00 0.00 31.29 32.69 3hg2 h VAL 316 CO 0.09 0.46 0.52 0.40 0.02 0.00 0.00 177.57 179.05 3hg2 h ILE 317 N 0.03 1.12 -0.35 4.57 2.04 -1.19 -1.93 117.51 121.79 3hg2 h ILE 317 Ca 0.00 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 3hg2 h ILE 317 Cb 0.88 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3hg2 h ILE 317 CO 0.06 0.17 0.04 0.00 0.00 0.00 0.00 178.15 178.43 3hg2 h ALA 318 N 1.54 1.42 0.32 1.87 0.00 -0.89 0.69 119.26 124.20 3hg2 h ALA 318 Ca 0.32 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hg2 h ALA 318 Cb 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hg2 h ALA 318 CO -0.09 0.42 -0.15 0.82 0.00 0.00 0.00 179.25 180.24 3hg2 h ILE 319 N 0.52 0.70 -0.98 0.00 2.04 -0.89 -2.28 117.51 116.61 3hg2 h ILE 319 Ca 0.12 -0.46 0.17 0.00 1.00 0.00 0.00 64.86 65.69 3hg2 h ILE 319 Cb 0.27 0.94 -0.10 0.00 -0.74 0.00 0.00 36.82 37.19 3hg2 h ILE 319 CO 0.00 0.09 0.59 -1.13 0.00 0.00 0.00 178.15 177.71 3hg2 h ASN 320 N -0.68 0.79 -0.42 1.72 -0.73 -1.12 -1.95 115.58 113.19 3hg2 h ASN 320 Ca -0.04 0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.21 3hg2 h ASN 320 Cb 0.47 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.00 3hg2 h ASN 320 CO 0.07 0.32 0.00 0.00 -0.37 0.00 0.00 177.43 177.46 3hg2 n GLN 321 N -4.74 2.34 -1.65 6.67 1.13 0.21 -4.59 117.38 116.74 3hg2 n GLN 321 Ca 0.21 -1.67 -0.47 0.00 -1.94 0.00 0.00 57.00 53.14 3hg2 n GLN 321 Cb 0.50 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.31 3hg2 n GLN 321 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3hg2 n ASP 322 N 0.70 2.77 0.30 1.08 2.03 -0.74 -4.88 116.55 117.82 3hg2 n ASP 322 Ca 0.15 1.10 0.19 0.00 0.52 0.00 0.00 54.79 56.75 3hg2 n ASP 322 Cb 0.48 -1.38 0.88 0.00 -0.72 0.00 0.00 41.12 40.38 3hg2 n ASP 322 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hg2 h PRO 323 N 5.43 0.00 -0.72 -0.67 0.13 -1.91 -2.37 132.00 131.89 3hg2 h PRO 323 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3hg2 h PRO 323 Cb 1.27 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 3hg2 h PRO 323 CO 0.85 0.00 0.44 1.25 -0.23 0.00 0.00 178.00 180.31 3hg2 h LEU 324 N 0.00 0.85 1.48 1.56 6.46 -1.93 -3.47 115.31 120.25 3hg2 h LEU 324 Ca 0.00 -0.04 -0.31 0.00 -0.12 0.00 0.00 57.88 57.41 3hg2 h LEU 324 Cb 0.33 -0.21 0.01 0.00 -0.73 0.00 0.00 40.66 40.06 3hg2 h LEU 324 CO 0.00 0.64 -0.42 0.61 -0.62 0.00 0.00 178.44 178.65 3hg2 n GLY 325 N -1.34 -0.25 3.58 3.75 0.00 -0.89 -4.75 105.19 105.30 3hg2 n GLY 325 Ca 0.07 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 3hg2 n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hg2 s LYS 326 N -5.06 3.85 0.38 1.61 -0.14 -1.26 -3.78 119.74 115.34 3hg2 s LYS 326 Ca 0.10 -0.09 -0.27 0.00 -1.36 0.00 0.00 55.97 54.36 3hg2 s LYS 326 Cb -0.05 -3.72 -0.09 0.00 -1.68 0.00 0.00 37.83 32.30 3hg2 s LYS 326 CO 0.13 -0.40 1.29 -1.14 -0.76 0.00 0.00 175.35 174.46 3hg2 s GLN 327 N 2.12 4.08 0.59 1.68 0.74 -1.26 -4.58 119.66 123.03 3hg2 s GLN 327 Ca 0.15 2.13 -0.08 0.00 0.05 0.00 0.00 55.36 57.61 3hg2 s GLN 327 Cb -0.16 -2.83 0.13 0.00 1.10 0.00 0.00 33.01 31.25 3hg2 s GLN 327 CO 0.11 -0.39 0.80 0.41 -0.55 0.00 0.00 175.29 175.67 3hg2 n GLY 328 N 0.70 -0.90 3.73 2.59 0.00 0.04 -4.81 105.19 106.55 3hg2 n GLY 328 Ca 0.03 -1.77 -0.08 0.00 0.00 0.00 0.00 46.02 44.20 3hg2 n GLY 328 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hg2 s TYR 329 N -2.63 0.07 -0.26 1.61 -0.85 -0.68 -4.79 117.35 109.83 3hg2 s TYR 329 Ca 0.47 -0.49 -0.27 0.00 -0.52 0.00 0.00 57.07 56.26 3hg2 s TYR 329 Cb -0.02 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.80 3hg2 s TYR 329 CO 0.32 -1.13 0.93 -1.14 -1.52 0.00 0.00 175.55 173.01 3hg2 s GLN 330 N -3.94 4.17 -0.11 -3.49 0.74 -1.26 -1.95 119.66 113.81 3hg2 s GLN 330 Ca 0.16 1.06 -0.24 0.00 0.05 0.00 0.00 55.36 56.39 3hg2 s GLN 330 Cb -0.04 -3.67 -0.27 0.00 1.10 0.00 0.00 33.01 30.14 3hg2 s GLN 330 CO 0.08 -0.63 0.70 1.25 -0.55 0.00 0.00 175.29 176.15 3hg2 h LEU 331 N 9.43 0.20 -7.85 3.68 5.85 -0.38 -3.49 115.31 122.76 3hg2 h LEU 331 Ca -0.21 -0.90 -0.14 0.00 0.84 0.00 0.00 57.88 57.46 3hg2 h LEU 331 Cb 1.08 -0.07 -0.19 0.00 0.37 0.00 0.00 40.66 41.85 3hg2 h LEU 331 CO 0.93 1.28 -0.54 -0.13 -0.34 0.00 0.00 178.44 179.64 3hg2 s ARG 332 N -2.34 0.50 -0.09 1.25 0.52 -0.80 -4.99 118.95 112.99 3hg2 s ARG 332 Ca -0.19 -0.58 -0.11 0.00 -0.52 0.00 0.00 55.73 54.33 3hg2 s ARG 332 Cb 0.00 0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.70 3hg2 s ARG 332 CO 0.73 -0.12 0.30 -1.14 0.02 0.00 0.00 175.30 175.10 3hg2 s GLN 333 N -1.90 0.43 0.00 3.54 0.74 -1.26 -0.80 119.66 120.41 3hg2 s GLN 333 Ca -0.11 0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.57 3hg2 s GLN 333 Cb -0.05 0.20 0.00 0.00 1.10 0.00 0.00 33.01 34.26 3hg2 s GLN 333 CO -0.01 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.06 3hg2 n GLY 334 N 2.52 4.02 3.62 2.59 0.00 -0.82 -5.01 105.19 112.12 3hg2 n GLY 334 Ca -0.15 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 3hg2 n GLY 334 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hg2 n ASP 335 N 0.00 -6.27 -2.52 1.61 2.03 -1.26 -1.95 116.55 108.19 3hg2 n ASP 335 Ca 0.00 -0.56 -0.16 0.00 0.52 0.00 0.00 54.79 54.59 3hg2 n ASP 335 Cb 0.00 -4.96 -0.00 0.00 -0.72 0.00 0.00 41.12 35.44 3hg2 n ASP 335 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3hg2 n ASN 336 N -3.01 -4.57 -4.43 1.67 3.02 -1.26 -4.92 115.26 101.77 3hg2 n ASN 336 Ca 0.01 0.08 -0.29 0.00 -0.03 0.00 0.00 54.58 54.34 3hg2 n ASN 336 Cb 0.56 -3.84 -0.13 0.00 -0.61 0.00 0.00 39.78 35.77 3hg2 n ASN 336 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3hg2 s PHE 337 N -2.78 2.41 -0.03 3.10 0.40 -0.82 0.15 117.98 120.42 3hg2 s PHE 337 Ca 0.04 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.07 3hg2 s PHE 337 Cb -0.02 -1.32 -0.00 0.00 0.51 0.00 0.00 43.02 42.19 3hg2 s PHE 337 CO 0.05 0.32 -0.13 -1.21 0.70 0.00 0.00 175.22 174.96 3hg2 s GLU 338 N -1.93 1.25 -0.18 0.44 2.02 -0.21 -1.94 118.70 118.14 3hg2 s GLU 338 Ca 0.15 -0.44 -0.01 0.00 0.02 0.00 0.00 54.97 54.69 3hg2 s GLU 338 Cb -0.10 -1.14 0.01 0.00 0.10 0.00 0.00 34.13 32.99 3hg2 s GLU 338 CO 0.07 0.20 -0.14 0.08 0.02 0.00 0.00 175.26 175.49 3hg2 s VAL 339 N 0.02 2.61 0.17 2.63 1.01 0.02 -0.34 120.40 126.52 3hg2 s VAL 339 Ca -0.01 -0.76 0.10 0.00 0.00 0.00 0.00 61.98 61.30 3hg2 s VAL 339 Cb -0.09 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3hg2 s VAL 339 CO 0.01 0.50 -0.16 0.26 0.00 0.00 0.00 175.10 175.71 3hg2 s TRP 340 N 1.19 2.50 0.03 5.22 0.52 0.88 0.42 118.94 129.70 3hg2 s TRP 340 Ca 0.02 -0.28 -0.06 0.00 0.02 0.00 0.00 56.10 55.80 3hg2 s TRP 340 Cb -0.14 -1.24 -0.01 0.00 -1.15 0.00 0.00 33.47 30.93 3hg2 s TRP 340 CO -0.06 0.49 0.11 -1.83 0.02 0.00 0.00 176.95 175.67 3hg2 s GLU 341 N -2.66 0.55 -0.06 4.98 -1.05 -0.82 -0.11 118.70 119.53 3hg2 s GLU 341 Ca 0.22 -0.63 0.01 0.00 -0.15 0.00 0.00 54.97 54.42 3hg2 s GLU 341 Cb -0.09 0.22 0.02 0.00 -0.44 0.00 0.00 34.13 33.84 3hg2 s GLU 341 CO 0.12 -0.14 -0.06 0.50 0.95 0.00 0.00 175.26 176.64 3hg2 s ARG 342 N -2.16 1.04 0.15 -4.83 3.52 0.75 -1.69 118.95 115.73 3hg2 s ARG 342 Ca -0.09 -0.15 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 3hg2 s ARG 342 Cb -0.04 -1.04 -0.08 0.00 -1.56 0.00 0.00 34.95 32.24 3hg2 s ARG 342 CO -0.02 -0.10 1.26 -1.25 -0.81 0.00 0.00 175.30 174.37 3hg2 s PRO 343 N 1.07 4.42 0.39 5.12 0.04 -1.26 -1.16 135.00 143.62 3hg2 s PRO 343 Ca -0.08 1.93 0.08 0.00 0.04 0.00 0.00 61.00 62.97 3hg2 s PRO 343 Cb -0.14 -3.25 -0.06 0.00 0.04 0.00 0.00 34.50 31.08 3hg2 s PRO 343 CO -0.01 -0.23 0.09 -0.51 0.04 0.00 0.00 177.00 176.38 3hg2 s LEU 344 N 0.34 3.02 0.61 -3.56 1.43 0.26 -4.57 118.68 116.21 3hg2 s LEU 344 Ca 0.57 -1.12 -0.19 0.00 -1.03 0.00 0.00 54.13 52.37 3hg2 s LEU 344 Cb -0.34 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 3hg2 s LEU 344 CO 0.34 -0.43 1.26 -0.44 0.23 0.00 0.00 176.35 177.31 3hg2 s SER 345 N -3.80 4.99 -0.57 2.29 0.01 -1.26 -3.60 113.70 111.75 3hg2 s SER 345 Ca 0.38 2.52 -0.00 0.00 1.31 0.00 0.00 55.95 60.16 3hg2 s SER 345 Cb 0.04 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.66 3hg2 s SER 345 CO 0.21 -1.74 0.01 0.61 0.41 0.00 0.00 173.24 172.73 3hg2 n GLY 346 N 0.69 0.10 2.44 3.44 0.00 -1.26 -3.29 105.19 107.30 3hg2 n GLY 346 Ca 0.14 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.40 3hg2 n GLY 346 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hg2 n LEU 347 N -0.98 -1.23 -4.91 0.99 4.77 -1.24 -4.72 117.00 109.68 3hg2 n LEU 347 Ca -0.08 0.34 -0.27 0.00 -0.03 0.00 0.00 56.01 55.97 3hg2 n LEU 347 Cb 0.56 -2.31 -0.01 0.00 -2.33 0.00 0.00 43.42 39.33 3hg2 n LEU 347 CO 0.09 -0.74 0.35 0.00 -1.33 0.00 0.00 177.39 175.77 3hg2 s ALA 348 N -2.62 3.49 -0.01 -1.18 0.00 -1.21 -3.96 121.76 116.28 3hg2 s ALA 348 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.37 3hg2 s ALA 348 Cb 0.00 -2.46 -0.00 0.00 0.00 0.00 0.00 23.12 20.66 3hg2 s ALA 348 CO 0.00 -0.17 0.04 -1.58 0.00 0.00 0.00 175.76 174.05 3hg2 s TRP 349 N -2.53 0.03 -0.16 0.00 0.51 -0.55 -0.57 118.94 115.66 3hg2 s TRP 349 Ca 0.46 -0.05 -0.07 0.00 -2.12 0.00 0.00 56.10 54.32 3hg2 s TRP 349 Cb -0.10 -0.04 -0.04 0.00 -0.81 0.00 0.00 33.47 32.48 3hg2 s TRP 349 CO 0.40 -0.09 0.07 0.00 -0.51 0.00 0.00 176.95 176.81 3hg2 s ALA 350 N -0.48 3.46 -0.10 0.98 0.00 -0.31 0.11 121.76 125.43 3hg2 s ALA 350 Ca -0.05 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.20 3hg2 s ALA 350 Cb -0.03 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.22 3hg2 s ALA 350 CO -0.00 0.30 -0.19 0.08 0.00 0.00 0.00 175.76 175.94 3hg2 s VAL 351 N 0.00 1.72 -0.14 0.00 1.01 -0.02 -0.18 120.40 122.78 3hg2 s VAL 351 Ca 0.06 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3hg2 s VAL 351 Cb -0.12 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.75 3hg2 s VAL 351 CO 0.01 0.48 -0.19 0.00 0.00 0.00 0.00 175.10 175.41 3hg2 s ALA 352 N 0.58 2.37 -0.24 5.51 0.00 0.84 -0.00 121.76 130.81 3hg2 s ALA 352 Ca -0.15 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 50.72 3hg2 s ALA 352 Cb -0.17 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.87 3hg2 s ALA 352 CO 0.05 -0.01 -0.05 -1.64 0.00 0.00 0.00 175.76 174.12 3hg2 s MET 353 N 0.78 3.06 -0.13 0.00 -1.94 0.46 -0.08 119.30 121.44 3hg2 s MET 353 Ca -0.07 -0.84 -0.06 0.00 -1.71 0.00 0.00 55.69 53.02 3hg2 s MET 353 Cb -0.16 -3.02 -0.04 0.00 2.01 0.00 0.00 34.83 33.63 3hg2 s MET 353 CO -0.00 -0.33 0.07 0.42 -0.01 0.00 0.00 175.02 175.17 3hg2 s ILE 354 N 1.40 4.90 -0.38 2.53 1.01 0.54 -0.77 121.20 130.42 3hg2 s ILE 354 Ca 0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.54 3hg2 s ILE 354 Cb -0.16 -3.14 0.02 0.00 0.01 0.00 0.00 42.46 39.20 3hg2 s ILE 354 CO -0.04 0.56 0.23 0.21 0.00 0.00 0.00 174.94 175.90 3hg2 s ASN 355 N -0.46 5.85 0.00 3.58 2.47 -0.85 -1.05 114.94 124.48 3hg2 s ASN 355 Ca 0.10 -0.92 0.25 0.00 0.42 0.00 0.00 52.86 52.71 3hg2 s ASN 355 Cb -0.12 -2.07 0.46 0.00 -1.45 0.00 0.00 41.25 38.08 3hg2 s ASN 355 CO 0.02 -0.39 1.41 0.54 -3.72 0.00 0.00 177.10 174.96 3hg2 n ARG 356 N 5.05 2.01 -2.58 0.43 5.12 0.12 -0.45 116.66 126.35 3hg2 n ARG 356 Ca -0.12 -1.53 -0.42 0.00 -1.93 0.00 0.00 57.85 53.85 3hg2 n ARG 356 Cb 0.47 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.27 3hg2 n ARG 356 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3hg2 s GLN 357 N -2.04 4.39 -0.54 5.56 0.74 -1.23 -4.85 119.66 121.69 3hg2 s GLN 357 Ca 0.30 1.52 0.01 0.00 0.05 0.00 0.00 55.36 57.25 3hg2 s GLN 357 Cb 0.20 -3.55 0.45 0.00 1.10 0.00 0.00 33.01 31.21 3hg2 s GLN 357 CO 0.33 -0.38 1.73 0.39 -0.55 0.00 0.00 175.29 176.81 3hg2 n GLU 358 N 5.13 3.03 -3.71 1.67 1.02 -1.26 -3.99 120.64 122.53 3hg2 n GLU 358 Ca 0.10 -3.62 -0.11 0.00 -0.02 0.00 0.00 57.16 53.51 3hg2 n GLU 358 Cb 0.47 -2.29 -0.06 0.00 -0.02 0.00 0.00 31.44 29.55 3hg2 n GLU 358 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3hg2 s ILE 359 N -4.76 0.08 0.00 -3.67 2.07 -1.26 -5.08 121.20 108.59 3hg2 s ILE 359 Ca 0.60 -0.66 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 3hg2 s ILE 359 Cb 0.47 -1.06 0.00 0.00 0.13 0.00 0.00 42.46 42.00 3hg2 s ILE 359 CO 0.00 -0.37 0.00 0.61 -1.91 0.00 0.00 174.94 173.28 3hg2 n GLY 360 N 0.25 -0.26 0.00 1.50 0.00 -1.26 -4.94 105.19 100.48 3hg2 n GLY 360 Ca -0.17 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3hg2 n GLY 360 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hg2 n GLY 361 N 0.00 5.17 3.72 -0.02 0.00 -1.26 -4.87 105.19 107.93 3hg2 n GLY 361 Ca 0.00 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 3hg2 n GLY 361 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hg2 n PRO 362 N -0.05 2.35 -4.94 1.61 -0.02 -1.26 -4.45 135.00 128.24 3hg2 n PRO 362 Ca 0.00 0.83 -0.33 0.00 -2.02 0.00 0.00 63.50 61.98 3hg2 n PRO 362 Cb 0.00 -2.49 -0.14 0.00 -0.02 0.00 0.00 33.50 30.85 3hg2 n PRO 362 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3hg2 s ARG 363 N -1.57 2.67 0.28 -0.52 0.52 -0.74 -4.84 118.95 114.76 3hg2 s ARG 363 Ca 0.57 -0.73 -0.29 0.00 -0.52 0.00 0.00 55.73 54.76 3hg2 s ARG 363 Cb -0.54 -2.38 -0.09 0.00 0.52 0.00 0.00 34.95 32.45 3hg2 s ARG 363 CO 0.59 0.50 1.08 -1.54 0.02 0.00 0.00 175.30 175.96 3hg2 s SER 364 N -0.42 7.27 -0.04 0.23 1.04 -1.26 -1.04 113.70 119.48 3hg2 s SER 364 Ca 0.05 2.23 0.02 0.00 0.48 0.00 0.00 55.95 58.72 3hg2 s SER 364 Cb -0.12 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.39 3hg2 s SER 364 CO 0.02 -0.14 -0.08 -0.47 0.98 0.00 0.00 173.24 173.55 3hg2 s TYR 365 N -1.19 0.96 0.02 5.02 5.04 0.61 -4.96 117.35 122.84 3hg2 s TYR 365 Ca 0.45 -0.28 0.08 0.00 -2.44 0.00 0.00 57.07 54.88 3hg2 s TYR 365 Cb -0.31 -0.74 -0.02 0.00 0.35 0.00 0.00 41.96 41.24 3hg2 s TYR 365 CO 0.39 -0.16 -0.23 0.95 -1.34 0.00 0.00 175.55 175.16 3hg2 s THR 366 N 0.53 1.85 -0.04 4.34 -4.23 -1.26 -0.86 115.64 115.97 3hg2 s THR 366 Ca -0.08 -1.16 -0.07 0.00 -1.18 0.00 0.00 61.69 59.19 3hg2 s THR 366 Cb -0.12 -1.57 0.01 0.00 1.34 0.00 0.00 72.50 72.16 3hg2 s THR 366 CO 0.01 0.37 0.18 -0.51 -0.54 0.00 0.00 174.62 174.13 3hg2 s ILE 367 N -0.69 0.04 0.07 2.99 2.07 -0.32 -5.00 121.20 120.35 3hg2 s ILE 367 Ca 0.09 -0.30 -0.31 0.00 -1.41 0.00 0.00 60.65 58.72 3hg2 s ILE 367 Cb -0.09 -0.36 -0.06 0.00 0.13 0.00 0.00 42.46 42.08 3hg2 s ILE 367 CO 0.01 -0.17 1.24 0.00 -1.91 0.00 0.00 174.94 174.12 3hg2 s ALA 368 N -0.58 3.44 0.46 1.50 0.00 -1.26 -0.04 121.76 125.28 3hg2 s ALA 368 Ca -0.07 0.91 0.40 0.00 0.00 0.00 0.00 51.96 53.20 3hg2 s ALA 368 Cb -0.04 -3.47 2.01 0.00 0.00 0.00 0.00 23.12 21.62 3hg2 s ALA 368 CO 0.01 -0.49 2.23 -0.39 0.00 0.00 0.00 175.76 177.12 3hg2 h VAL 369 N 4.47 0.05 0.00 0.00 -1.51 -1.62 -0.70 116.25 116.94 3hg2 h VAL 369 Ca -0.41 -0.21 -0.02 0.00 -1.23 0.00 0.00 66.70 64.83 3hg2 h VAL 369 Cb 1.21 1.19 -0.00 0.00 -2.13 0.00 0.00 31.29 31.56 3hg2 h VAL 369 CO 0.83 0.01 -0.11 0.00 -1.23 0.00 0.00 177.57 177.06 3hg2 h ALA 370 N 1.99 1.37 0.00 5.19 0.00 -1.78 -2.06 119.26 123.97 3hg2 h ALA 370 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hg2 h ALA 370 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hg2 h ALA 370 CO 0.00 0.14 0.00 0.77 0.00 0.00 0.00 179.25 180.16 3hg2 h SER 371 N 0.00 0.00 -3.48 0.00 0.02 -1.47 -3.16 113.55 105.46 3hg2 h SER 371 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 3hg2 h SER 371 Cb 0.29 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 3hg2 h SER 371 CO 0.01 0.00 -0.01 -0.76 -1.14 0.00 0.00 176.83 174.93 3hg2 s LEU 372 N -5.62 4.25 -1.50 5.07 1.02 -0.78 -4.31 118.68 116.82 3hg2 s LEU 372 Ca 0.07 1.16 -0.06 0.00 0.02 0.00 0.00 54.13 55.32 3hg2 s LEU 372 Cb 0.08 -3.58 0.02 0.00 0.02 0.00 0.00 46.19 42.73 3hg2 s LEU 372 CO 0.61 -0.01 0.65 0.61 0.02 0.00 0.00 176.35 178.23 3hg2 n GLY 373 N 0.37 -0.52 2.39 -3.19 0.00 -1.26 -1.75 105.19 101.23 3hg2 n GLY 373 Ca -0.02 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 3hg2 n GLY 373 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hg2 n LYS 374 N -4.09 -1.89 -0.97 1.61 5.02 -1.26 -1.43 118.16 115.15 3hg2 n LYS 374 Ca -0.08 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 3hg2 n LYS 374 Cb 0.60 -5.39 0.00 0.00 -0.02 0.00 0.00 35.03 30.22 3hg2 n LYS 374 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hg2 n GLY 375 N -0.81 0.85 0.11 0.72 0.00 -0.72 -4.89 105.19 100.46 3hg2 n GLY 375 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 3hg2 n GLY 375 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hg2 n VAL 376 N -2.28 1.50 -0.27 1.61 0.31 -0.51 -4.30 118.33 114.39 3hg2 n VAL 376 Ca 0.00 -0.71 0.05 0.00 -0.01 0.00 0.00 64.34 63.66 3hg2 n VAL 376 Cb 0.00 -1.05 0.19 0.00 -0.91 0.00 0.00 33.84 32.06 3hg2 n VAL 376 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hg2 h ALA 377 N 0.49 1.14 -0.16 3.52 0.00 -1.71 -2.95 119.26 119.59 3hg2 h ALA 377 Ca -0.52 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3hg2 h ALA 377 Cb 2.06 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.77 3hg2 h ALA 377 CO -0.01 -0.09 -0.45 0.00 0.00 0.00 0.00 179.25 178.71 3hg2 s ASN 379 N -3.14 5.10 0.04 0.00 2.47 -1.12 -1.75 114.94 116.54 3hg2 s ASN 379 Ca 0.41 -0.84 0.27 0.00 0.42 0.00 0.00 52.86 53.12 3hg2 s ASN 379 Cb 0.38 -1.86 0.89 0.00 -1.45 0.00 0.00 41.25 39.22 3hg2 s ASN 379 CO -0.05 -0.22 1.71 -0.81 -3.72 0.00 0.00 177.10 174.01 3hg2 n PRO 380 N 4.83 0.06 -3.68 0.43 -0.04 -1.26 -4.83 135.00 130.52 3hg2 n PRO 380 Ca -0.14 0.04 -0.10 0.00 -0.04 0.00 0.00 63.50 63.25 3hg2 n PRO 380 Cb 0.47 -1.56 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 3hg2 n PRO 380 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hg2 s ALA 381 N -3.03 -0.93 0.02 0.55 0.00 -0.72 -1.39 121.76 116.26 3hg2 s ALA 381 Ca 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.95 3hg2 s ALA 381 Cb 0.17 0.79 -0.02 0.00 0.00 0.00 0.00 23.12 24.06 3hg2 s ALA 381 CO 0.60 -0.72 -0.03 0.00 0.00 0.00 0.00 175.76 175.62 3hg2 s PHE 383 N -1.63 3.26 -0.18 0.00 5.36 0.19 -0.43 117.98 124.56 3hg2 s PHE 383 Ca -0.14 0.31 -0.07 0.00 -0.96 0.00 0.00 56.93 56.06 3hg2 s PHE 383 Cb -0.09 -2.45 -0.04 0.00 -0.34 0.00 0.00 43.02 40.10 3hg2 s PHE 383 CO -0.02 -0.13 0.06 0.42 -1.46 0.00 0.00 175.22 174.10 3hg2 s ILE 384 N 1.71 4.81 -0.14 3.12 1.01 -0.45 -1.34 121.20 129.91 3hg2 s ILE 384 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.74 3hg2 s ILE 384 Cb -0.15 -3.16 0.03 0.00 0.01 0.00 0.00 42.46 39.18 3hg2 s ILE 384 CO 0.09 0.47 -0.12 -0.89 0.00 0.00 0.00 174.94 174.49 3hg2 s THR 385 N 0.27 1.43 0.19 2.92 2.01 -0.45 -0.31 115.64 121.69 3hg2 s THR 385 Ca 0.04 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.16 3hg2 s THR 385 Cb -0.12 -1.38 -0.08 0.00 0.01 0.00 0.00 72.50 70.93 3hg2 s THR 385 CO 0.00 0.40 1.21 -1.58 -0.69 0.00 0.00 174.62 173.96 3hg2 s GLN 386 N 1.54 4.48 -0.13 4.92 0.74 0.47 -0.14 119.66 131.53 3hg2 s GLN 386 Ca 0.04 1.89 0.04 0.00 0.05 0.00 0.00 55.36 57.39 3hg2 s GLN 386 Cb -0.13 -3.23 -0.11 0.00 1.10 0.00 0.00 33.01 30.63 3hg2 s GLN 386 CO -0.10 -0.10 -0.07 1.28 -0.55 0.00 0.00 175.29 175.75 3hg2 n LEU 387 N 2.51 1.91 -4.02 3.68 4.77 0.16 -1.34 117.00 124.67 3hg2 n LEU 387 Ca 0.04 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.83 3hg2 n LEU 387 Cb 0.44 -0.22 -0.13 0.00 -2.33 0.00 0.00 43.42 41.19 3hg2 n LEU 387 CO 0.56 0.58 -0.40 -0.76 -1.33 0.00 0.00 177.39 176.03 3hg2 s LEU 388 N -5.48 2.16 0.43 2.23 1.43 -1.06 -3.52 118.68 114.87 3hg2 s LEU 388 Ca -0.14 -0.37 0.23 0.00 -1.03 0.00 0.00 54.13 52.81 3hg2 s LEU 388 Cb 0.04 -0.20 0.90 0.00 0.03 0.00 0.00 46.19 46.97 3hg2 s LEU 388 CO 0.38 -0.10 1.83 1.55 0.23 0.00 0.00 176.35 180.24 3hg2 h PRO 389 N 5.10 0.00 -5.47 1.29 0.13 -1.89 -1.83 132.00 129.32 3hg2 h PRO 389 Ca -0.33 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.38 3hg2 h PRO 389 Cb 1.20 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 3hg2 h PRO 389 CO 0.44 0.26 -0.75 0.14 -0.23 0.00 0.00 178.00 177.87 3hg2 s VAL 390 N -3.71 1.50 -0.20 1.56 -7.23 -1.26 -5.13 120.40 105.94 3hg2 s VAL 390 Ca -0.00 -1.97 -0.24 0.00 -1.81 0.00 0.00 61.98 57.96 3hg2 s VAL 390 Cb 0.11 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 35.24 3hg2 s VAL 390 CO 0.65 -0.52 0.81 -0.75 -0.31 0.00 0.00 175.10 174.97 3hg2 s LYS 391 N -3.21 4.24 -0.22 4.82 2.20 -1.23 -3.89 119.74 122.46 3hg2 s LYS 391 Ca 0.16 0.94 -0.09 0.00 -0.36 0.00 0.00 55.97 56.62 3hg2 s LYS 391 Cb -0.02 -3.60 0.09 0.00 -1.51 0.00 0.00 37.83 32.79 3hg2 s LYS 391 CO 0.04 -0.39 0.49 0.50 -0.36 0.00 0.00 175.35 175.64 3hg2 s ARG 392 N 2.38 0.43 -0.04 4.03 3.52 -0.45 -5.00 118.95 123.82 3hg2 s ARG 392 Ca 0.36 1.10 -0.30 0.00 -0.13 0.00 0.00 55.73 56.76 3hg2 s ARG 392 Cb -0.16 0.36 -0.05 0.00 -1.56 0.00 0.00 34.95 33.54 3hg2 s ARG 392 CO 0.10 -0.21 1.46 0.15 -0.81 0.00 0.00 175.30 175.99 3hg2 s LYS 393 N 2.33 4.24 0.04 5.12 1.02 -1.26 -0.40 119.74 130.83 3hg2 s LYS 393 Ca -0.05 2.00 0.23 0.00 0.02 0.00 0.00 55.97 58.16 3hg2 s LYS 393 Cb -0.11 -3.72 0.07 0.00 -0.52 0.00 0.00 37.83 33.55 3hg2 s LYS 393 CO -0.15 -0.68 1.06 1.28 -0.92 0.00 0.00 175.35 175.94 3hg2 n LEU 394 N 6.09 0.63 0.00 3.17 4.77 0.58 -4.93 117.00 127.32 3hg2 n LEU 394 Ca 0.15 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3hg2 n LEU 394 Cb 0.43 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3hg2 n LEU 394 CO 0.59 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3hg2 n GLY 395 N 1.40 -1.78 3.75 -0.72 0.00 -1.09 -4.90 105.19 101.85 3hg2 n GLY 395 Ca 0.03 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 3hg2 n GLY 395 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hg2 s PHE 396 N 0.00 3.87 -0.13 1.61 0.08 -1.26 -1.34 117.98 120.81 3hg2 s PHE 396 Ca 0.00 1.77 0.00 0.00 0.12 0.00 0.00 56.93 58.82 3hg2 s PHE 396 Cb 0.00 -2.95 0.02 0.00 -0.57 0.00 0.00 43.02 39.52 3hg2 s PHE 396 CO 0.00 0.35 -0.12 0.71 -0.10 0.00 0.00 175.22 176.06 3hg2 s TYR 397 N -0.57 1.92 0.76 0.36 1.51 0.43 -4.97 117.35 116.78 3hg2 s TYR 397 Ca 0.42 -1.03 -0.12 0.00 -1.01 0.00 0.00 57.07 55.33 3hg2 s TYR 397 Cb -0.24 -1.46 0.05 0.00 -0.11 0.00 0.00 41.96 40.21 3hg2 s TYR 397 CO 0.29 -0.60 1.12 -1.21 -1.11 0.00 0.00 175.55 174.04 3hg2 s GLU 398 N 1.52 2.21 0.40 -0.62 0.41 -1.26 -1.35 118.70 120.00 3hg2 s GLU 398 Ca 0.04 1.34 0.12 0.00 -0.41 0.00 0.00 54.97 56.06 3hg2 s GLU 398 Cb -0.13 -1.88 0.94 0.00 -1.78 0.00 0.00 34.13 31.28 3hg2 s GLU 398 CO -0.09 -1.70 1.92 2.35 -0.49 0.00 0.00 175.26 177.25 3hg2 h TRP 399 N -0.84 0.60 -0.00 1.61 7.01 -1.06 -1.63 115.95 121.65 3hg2 h TRP 399 Ca -0.45 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.57 3hg2 h TRP 399 Cb 1.25 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 28.11 3hg2 h TRP 399 CO 0.55 0.25 -0.10 0.25 -2.79 0.00 0.00 178.44 176.60 3hg2 n THR 400 N -4.50 0.00 -2.00 2.65 -2.24 -1.26 -3.47 114.28 103.46 3hg2 n THR 400 Ca 0.14 -0.01 -0.28 0.00 -2.27 0.00 0.00 64.05 61.62 3hg2 n THR 400 Cb 0.44 -0.30 0.07 0.00 -2.10 0.00 0.00 70.33 68.44 3hg2 n THR 400 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hg2 s SER 401 N -2.79 4.79 -0.06 3.42 1.04 -0.61 -4.89 113.70 114.59 3hg2 s SER 401 Ca 0.20 0.75 0.04 0.00 0.48 0.00 0.00 55.95 57.41 3hg2 s SER 401 Cb 0.19 -1.35 -0.02 0.00 0.10 0.00 0.00 66.02 64.94 3hg2 s SER 401 CO 0.53 -1.70 -0.16 -0.13 0.98 0.00 0.00 173.24 172.77 3hg2 s ARG 402 N -5.43 2.58 -0.26 4.02 0.52 -1.26 -1.89 118.95 117.23 3hg2 s ARG 402 Ca 0.60 -0.72 -0.15 0.00 -0.52 0.00 0.00 55.73 54.95 3hg2 s ARG 402 Cb -0.11 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 3hg2 s ARG 402 CO 0.48 0.56 0.36 -1.17 0.02 0.00 0.00 175.30 175.54 3hg2 s LEU 403 N -0.57 4.05 -0.13 2.53 2.96 0.95 -4.91 118.68 123.56 3hg2 s LEU 403 Ca 0.08 0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 3hg2 s LEU 403 Cb -0.11 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 3hg2 s LEU 403 CO 0.01 -0.15 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.64 3hg2 s ARG 404 N 1.91 3.42 0.16 1.98 0.52 -1.26 -1.18 118.95 124.50 3hg2 s ARG 404 Ca 0.15 -0.66 -0.04 0.00 -0.52 0.00 0.00 55.73 54.66 3hg2 s ARG 404 Cb -0.16 -2.67 -0.03 0.00 0.52 0.00 0.00 34.95 32.61 3hg2 s ARG 404 CO 0.09 0.23 0.17 0.45 0.02 0.00 0.00 175.30 176.26 3hg2 s SER 405 N 0.33 0.17 -0.05 0.23 0.15 -0.04 -5.01 113.70 109.48 3hg2 s SER 405 Ca -0.09 -1.11 0.04 0.00 0.70 0.00 0.00 55.95 55.48 3hg2 s SER 405 Cb -0.16 0.38 -0.00 0.00 -1.71 0.00 0.00 66.02 64.53 3hg2 s SER 405 CO 0.05 -0.83 -0.16 -1.00 1.20 0.00 0.00 173.24 172.50 3hg2 s HIS 406 N -4.04 1.68 -0.10 3.44 3.76 -1.26 -0.29 115.29 118.48 3hg2 s HIS 406 Ca 0.24 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.66 3hg2 s HIS 406 Cb 0.05 -1.14 0.02 0.00 1.11 0.00 0.00 32.58 32.62 3hg2 s HIS 406 CO 0.03 -0.19 -0.13 0.42 -0.85 0.00 0.00 174.74 174.03 3hg2 s ILE 407 N 0.14 1.33 0.42 0.60 1.01 -0.20 -4.89 121.20 119.61 3hg2 s ILE 407 Ca -0.06 -0.53 -0.26 0.00 0.00 0.00 0.00 60.65 59.80 3hg2 s ILE 407 Cb -0.12 -1.24 -0.08 0.00 0.01 0.00 0.00 42.46 41.03 3hg2 s ILE 407 CO 0.03 0.41 1.32 0.20 0.00 0.00 0.00 174.94 176.89 3hg2 s ASN 408 N 1.09 6.18 -0.05 3.58 0.01 -1.26 -1.79 114.94 122.71 3hg2 s ASN 408 Ca -0.05 2.68 -0.38 0.00 -0.71 0.00 0.00 52.86 54.40 3hg2 s ASN 408 Cb -0.14 -2.64 -0.16 0.00 0.41 0.00 0.00 41.25 38.72 3hg2 s ASN 408 CO -0.02 -0.94 1.52 -2.65 -1.51 0.00 0.00 177.10 173.50 3hg2 n PRO 409 N -0.01 1.25 -0.79 -0.60 -0.02 -1.26 -0.02 135.00 133.54 3hg2 n PRO 409 Ca 0.04 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3hg2 n PRO 409 Cb 0.44 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3hg2 n PRO 409 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hg2 n THR 410 N 3.42 0.00 -2.63 3.45 -2.24 0.40 -4.88 114.28 111.80 3hg2 n THR 410 Ca 0.21 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.77 3hg2 n THR 410 Cb 0.18 -0.45 0.07 0.00 -2.10 0.00 0.00 70.33 68.03 3hg2 n THR 410 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hg2 s GLY 411 N -2.00 1.79 -0.01 3.38 0.00 0.97 -3.77 107.32 107.67 3hg2 s GLY 411 Ca 0.00 -1.54 0.02 0.00 0.00 0.00 0.00 44.72 43.20 3hg2 s GLY 411 CO 0.00 -1.12 -0.06 -1.59 0.00 0.00 0.00 173.10 170.33 3hg2 s THR 412 N -2.94 0.55 -0.28 0.90 2.01 -1.26 -2.00 115.64 112.63 3hg2 s THR 412 Ca 0.62 -0.26 -0.12 0.00 0.31 0.00 0.00 61.69 62.24 3hg2 s THR 412 Cb -0.08 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 3hg2 s THR 412 CO 0.41 0.17 0.26 -0.69 -0.69 0.00 0.00 174.62 174.08 3hg2 s VAL 413 N 0.11 5.26 -0.20 3.82 1.01 0.05 -3.95 120.40 126.49 3hg2 s VAL 413 Ca -0.01 0.29 -0.06 0.00 0.00 0.00 0.00 61.98 62.20 3hg2 s VAL 413 Cb -0.06 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3hg2 s VAL 413 CO -0.00 0.20 0.03 -0.22 0.00 0.00 0.00 175.10 175.11 3hg2 s LEU 414 N 1.87 3.45 0.11 3.92 2.96 -0.69 -0.40 118.68 129.90 3hg2 s LEU 414 Ca 0.10 -0.12 0.10 0.00 -0.22 0.00 0.00 54.13 53.99 3hg2 s LEU 414 Cb -0.16 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 3hg2 s LEU 414 CO 0.11 0.08 -0.25 -0.76 -1.32 0.00 0.00 176.35 174.21 3hg2 s LEU 415 N 0.89 2.29 -0.13 -0.68 1.43 0.99 0.37 118.68 123.84 3hg2 s LEU 415 Ca 0.02 -0.70 0.02 0.00 -1.03 0.00 0.00 54.13 52.44 3hg2 s LEU 415 Cb -0.14 -1.11 -0.00 0.00 0.03 0.00 0.00 46.19 44.97 3hg2 s LEU 415 CO 0.02 0.15 -0.18 -1.58 0.23 0.00 0.00 176.35 174.99 3hg2 s GLN 416 N -1.86 3.19 -0.21 1.70 0.74 0.80 -0.84 119.66 123.18 3hg2 s GLN 416 Ca 0.11 -0.78 -0.07 0.00 0.05 0.00 0.00 55.36 54.67 3hg2 s GLN 416 Cb -0.10 -2.50 -0.03 0.00 1.10 0.00 0.00 33.01 31.47 3hg2 s GLN 416 CO 0.05 0.12 0.04 -0.51 -0.55 0.00 0.00 175.29 174.44 3hg2 s LEU 417 N 0.53 3.52 -0.27 3.68 1.02 0.12 -1.34 118.68 125.94 3hg2 s LEU 417 Ca -0.11 -0.10 -0.02 0.00 0.02 0.00 0.00 54.13 53.92 3hg2 s LEU 417 Cb -0.16 -1.91 0.03 0.00 0.02 0.00 0.00 46.19 44.17 3hg2 s LEU 417 CO 0.04 0.08 -0.03 -0.70 0.02 0.00 0.00 176.35 175.76 3hg2 s GLU 418 N 0.94 2.70 0.30 1.70 2.56 -0.45 -1.49 118.70 124.97 3hg2 s GLU 418 Ca 0.03 -1.07 -0.30 0.00 0.00 0.00 0.00 54.97 53.63 3hg2 s GLU 418 Cb -0.14 -3.08 -0.11 0.00 2.00 0.00 0.00 34.13 32.80 3hg2 s GLU 418 CO 0.02 -0.48 1.53 1.21 -0.56 0.00 0.00 175.26 176.98 3hg2 s ASN 419 N 1.31 6.44 0.01 -1.70 3.84 -1.24 -0.64 114.94 122.96 3hg2 s ASN 419 Ca -0.02 2.91 -0.17 0.00 0.21 0.00 0.00 52.86 55.79 3hg2 s ASN 419 Cb -0.18 -2.64 0.03 0.00 -0.55 0.00 0.00 41.25 37.91 3hg2 s ASN 419 CO -0.03 -0.85 0.38 0.28 -2.79 0.00 0.00 177.10 174.09 3hg2 s THR 420 N -0.29 0.06 -0.04 -5.21 -1.32 -0.68 -4.88 115.64 103.27 3hg2 s THR 420 Ca 0.60 -0.47 0.13 0.00 -1.21 0.00 0.00 61.69 60.74 3hg2 s THR 420 Cb -0.46 -0.83 -0.16 0.00 -1.51 0.00 0.00 72.50 69.54 3hg2 s THR 420 CO 0.50 -0.26 0.95 0.24 -2.21 0.00 0.00 174.62 173.85 3hg2 h MET 421 N 3.37 0.00 0.00 7.08 0.00 -1.94 -3.15 114.93 120.29 3hg2 h MET 421 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.40 3hg2 h MET 421 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.79 3hg2 h MET 421 CO 0.42 0.55 0.00 1.04 0.00 0.00 0.00 176.91 178.92