#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hg4 n ASP 33 N 0.00 7.85 -0.81 1.96 2.03 -1.26 -4.38 116.55 121.94 3hg4 n ASP 33 Ca 0.00 -3.04 0.08 0.00 0.52 0.00 0.00 54.79 52.35 3hg4 n ASP 33 Cb 0.00 -1.37 0.16 0.00 -0.72 0.00 0.00 41.12 39.18 3hg4 n ASP 33 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3hg4 n ASN 34 N 1.90 2.93 0.00 1.67 0.23 -1.26 -4.96 115.26 115.77 3hg4 n ASN 34 Ca 0.62 -1.86 0.00 0.00 -0.53 0.00 0.00 54.58 52.81 3hg4 n ASN 34 Cb 0.31 -0.19 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 3hg4 n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hg4 n GLY 35 N 0.95 0.91 3.91 4.83 0.00 -1.26 -5.01 105.19 109.51 3hg4 n GLY 35 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 3hg4 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg4 s LEU 36 N 0.00 3.64 -1.44 0.99 1.43 -1.26 -4.62 118.68 117.42 3hg4 s LEU 36 Ca 0.00 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.58 3hg4 s LEU 36 Cb 0.00 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 43.90 3hg4 s LEU 36 CO 0.00 -0.49 0.57 0.00 0.23 0.00 0.00 176.35 176.67 3hg4 n ALA 37 N -1.53 -1.84 0.20 4.21 0.00 -1.26 -4.12 120.51 116.17 3hg4 n ALA 37 Ca 0.01 -0.17 0.06 0.00 0.00 0.00 0.00 53.44 53.34 3hg4 n ALA 37 Cb 0.60 -2.13 0.40 0.00 0.00 0.00 0.00 19.45 18.32 3hg4 n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hg4 h ARG 38 N -1.82 0.00 -6.11 0.00 2.47 -1.90 0.58 114.38 107.59 3hg4 h ARG 38 Ca -0.62 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 57.50 3hg4 h ARG 38 Cb 1.37 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.55 3hg4 h ARG 38 CO 0.64 0.35 -0.74 0.95 0.56 0.00 0.00 179.97 181.72 3hg4 s THR 39 N -3.86 2.38 0.35 2.04 -4.23 -1.26 -4.29 115.64 106.77 3hg4 s THR 39 Ca -0.01 -2.36 -0.28 0.00 -1.18 0.00 0.00 61.69 57.86 3hg4 s THR 39 Cb 0.12 -2.35 -0.12 0.00 1.34 0.00 0.00 72.50 71.50 3hg4 s THR 39 CO 0.68 -0.37 1.44 -2.65 -0.54 0.00 0.00 174.62 173.18 3hg4 n PRO 40 N -0.64 2.48 -2.04 3.99 -0.02 -1.26 -4.89 135.00 132.62 3hg4 n PRO 40 Ca -0.05 0.87 -0.40 0.00 -2.02 0.00 0.00 63.50 61.90 3hg4 n PRO 40 Cb 0.61 -2.56 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 3hg4 n PRO 40 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hg4 s THR 41 N -0.92 2.57 -0.03 3.45 2.01 -1.26 -4.74 115.64 116.71 3hg4 s THR 41 Ca 0.56 0.53 0.05 0.00 0.31 0.00 0.00 61.69 63.15 3hg4 s THR 41 Cb -0.52 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 3hg4 s THR 41 CO 0.61 0.10 -0.19 -0.04 -0.69 0.00 0.00 174.62 174.40 3hg4 s MET 42 N -2.11 1.82 0.00 4.92 -1.94 -1.26 -0.39 119.30 120.34 3hg4 s MET 42 Ca 0.54 -0.70 0.00 0.00 -1.71 0.00 0.00 55.69 53.83 3hg4 s MET 42 Cb -0.40 -1.64 0.00 0.00 2.01 0.00 0.00 34.83 34.80 3hg4 s MET 42 CO 0.52 0.34 0.00 0.41 -0.01 0.00 0.00 175.02 176.28 3hg4 n GLY 43 N 2.88 -0.76 2.84 -0.03 0.00 -0.13 -1.39 105.19 108.59 3hg4 n GLY 43 Ca -0.17 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 3hg4 n GLY 43 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hg4 s TRP 44 N -4.00 -0.00 -0.02 1.61 -0.00 0.39 -1.25 118.94 115.67 3hg4 s TRP 44 Ca 0.00 0.09 0.02 0.00 -0.00 0.00 0.00 56.10 56.21 3hg4 s TRP 44 Cb 0.00 -0.10 -0.00 0.00 -0.00 0.00 0.00 33.47 33.37 3hg4 s TRP 44 CO 0.00 -0.05 -0.09 -1.17 -0.00 0.00 0.00 176.95 175.65 3hg4 s LEU 45 N 0.49 1.87 0.46 5.86 2.96 0.46 0.02 118.68 130.80 3hg4 s LEU 45 Ca -0.04 -0.17 0.25 0.00 -0.22 0.00 0.00 54.13 53.95 3hg4 s LEU 45 Cb -0.06 -0.49 0.56 0.00 0.50 0.00 0.00 46.19 46.69 3hg4 s LEU 45 CO -0.01 0.08 1.69 1.12 -1.32 0.00 0.00 176.35 177.90 3hg4 h HIS 46 N 6.20 0.00 0.10 5.38 2.07 -1.82 -3.36 115.15 123.73 3hg4 h HIS 46 Ca -0.32 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.21 3hg4 h HIS 46 Cb 1.17 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.13 3hg4 h HIS 46 CO 0.43 0.03 -0.19 2.35 -3.07 0.00 0.00 177.93 177.47 3hg4 h TRP 47 N 0.00 -0.50 -0.42 6.12 2.91 -1.89 -0.09 115.95 122.08 3hg4 h TRP 47 Ca -0.00 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.01 3hg4 h TRP 47 Cb 0.91 0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.75 3hg4 h TRP 47 CO 0.00 -0.28 0.18 1.49 -1.03 0.00 0.00 178.44 178.80 3hg4 h GLU 48 N -0.36 0.62 0.00 2.65 4.22 -1.89 0.21 114.58 120.03 3hg4 h GLU 48 Ca 0.03 -0.11 -0.17 0.00 0.08 0.00 0.00 59.36 59.19 3hg4 h GLU 48 Cb 0.38 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3hg4 h GLU 48 CO -0.11 0.57 -0.94 -0.09 -2.18 0.00 0.00 179.01 176.26 3hg4 h ARG 49 N 0.54 0.00 0.00 1.92 9.65 -1.74 -3.40 114.38 121.35 3hg4 h ARG 49 Ca 0.14 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 3hg4 h ARG 49 Cb 0.17 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.75 3hg4 h ARG 49 CO -0.01 0.61 -1.10 1.19 2.80 0.00 0.00 179.97 183.45 3hg4 n PHE 50 N -3.18 0.00 -0.88 2.20 3.72 -0.06 -5.04 117.46 114.22 3hg4 n PHE 50 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3hg4 n PHE 50 Cb 0.85 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 3hg4 n PHE 50 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3hg4 n MET 51 N -1.85 0.00 -2.26 -1.08 2.81 0.72 -3.11 117.12 112.36 3hg4 n MET 51 Ca -0.02 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.57 3hg4 n MET 51 Cb 0.34 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.86 3hg4 n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hg4 s ASN 53 N -2.83 6.38 0.00 0.00 3.84 -1.18 -4.84 114.94 116.30 3hg4 s ASN 53 Ca 0.50 0.69 0.18 0.00 0.21 0.00 0.00 52.86 54.43 3hg4 s ASN 53 Cb 0.41 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 38.54 3hg4 s ASN 53 CO -0.23 -1.43 0.89 0.18 -2.79 0.00 0.00 177.10 173.73 3hg4 n LEU 54 N 8.70 1.61 -4.49 3.21 4.77 -1.26 -0.64 117.00 128.89 3hg4 n LEU 54 Ca 0.15 -0.72 -0.44 0.00 -0.03 0.00 0.00 56.01 54.97 3hg4 n LEU 54 Cb 0.48 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3hg4 n LEU 54 CO 0.71 0.31 1.49 -0.62 -1.33 0.00 0.00 177.39 177.95 3hg4 s ASP 55 N -2.15 6.99 0.03 -1.43 2.15 -1.26 -4.77 116.67 116.23 3hg4 s ASP 55 Ca 0.14 -2.80 0.28 0.00 0.43 0.00 0.00 52.55 50.60 3hg4 s ASP 55 Cb 0.14 -2.44 1.16 0.00 -0.30 0.00 0.00 42.92 41.48 3hg4 s ASP 55 CO 0.49 -0.87 1.89 0.00 -0.17 0.00 0.00 175.17 176.52 3hg4 h GLN 57 N 0.00 0.28 0.00 0.00 1.08 -1.96 -3.25 115.11 111.26 3hg4 h GLN 57 Ca 0.00 -0.48 -0.08 0.00 -1.45 0.00 0.00 58.65 56.65 3hg4 h GLN 57 Cb 0.54 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 3hg4 h GLN 57 CO 0.00 1.23 -1.92 0.39 -0.95 0.00 0.00 178.83 177.58 3hg4 n GLU 58 N -4.14 0.72 -2.95 1.46 -0.58 -1.23 -4.58 120.64 109.34 3hg4 n GLU 58 Ca -0.15 -0.13 -0.23 0.00 -0.42 0.00 0.00 57.16 56.23 3hg4 n GLU 58 Cb 0.81 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 30.22 3hg4 n GLU 58 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3hg4 n GLU 59 N -2.26 2.44 0.18 3.49 -0.58 0.19 -4.96 120.64 119.14 3hg4 n GLU 59 Ca -0.09 -4.27 0.04 0.00 -0.42 0.00 0.00 57.16 52.41 3hg4 n GLU 59 Cb 0.62 -2.02 0.43 0.00 -0.57 0.00 0.00 31.44 29.91 3hg4 n GLU 59 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3hg4 h PRO 60 N 2.94 0.09 0.00 3.49 0.13 -1.67 -1.14 132.00 135.85 3hg4 h PRO 60 Ca 0.12 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3hg4 h PRO 60 Cb 0.73 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3hg4 h PRO 60 CO 0.71 0.29 0.00 -0.44 -0.23 0.00 0.00 178.00 178.33 3hg4 h ASP 61 N 0.08 0.00 0.00 1.44 3.32 -1.91 -3.32 116.42 116.03 3hg4 h ASP 61 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3hg4 h ASP 61 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3hg4 h ASP 61 CO 0.03 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.01 3hg4 n SER 62 N -2.62 0.60 -4.77 6.45 3.41 -0.98 -5.00 113.62 110.71 3hg4 n SER 62 Ca 0.03 -0.96 -0.33 0.00 -0.26 0.00 0.00 58.87 57.35 3hg4 n SER 62 Cb 0.38 0.03 0.06 0.00 -0.26 0.00 0.00 64.21 64.42 3hg4 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hg4 s ILE 64 N -2.45 3.86 0.20 0.00 -1.09 0.19 -4.82 121.20 117.09 3hg4 s ILE 64 Ca 0.66 -0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.99 3hg4 s ILE 64 Cb -0.20 -4.95 -0.05 0.00 -1.58 0.00 0.00 42.46 35.68 3hg4 s ILE 64 CO 0.45 -1.86 0.01 -0.94 -1.23 0.00 0.00 174.94 171.38 3hg4 s SER 65 N 4.18 1.36 0.41 3.58 1.04 -1.26 -4.83 113.70 118.17 3hg4 s SER 65 Ca 0.38 -1.21 0.15 0.00 0.48 0.00 0.00 55.95 55.75 3hg4 s SER 65 Cb -0.06 0.10 0.86 0.00 0.10 0.00 0.00 66.02 67.03 3hg4 s SER 65 CO 0.05 -0.58 1.89 1.05 0.98 0.00 0.00 173.24 176.64 3hg4 h GLU 66 N 2.60 0.00 -0.35 4.02 4.11 -1.52 -2.88 114.58 120.57 3hg4 h GLU 66 Ca -0.37 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.96 3hg4 h GLU 66 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 3hg4 h GLU 66 CO 0.63 0.30 -0.17 0.87 0.07 0.00 0.00 179.01 180.70 3hg4 h LYS 67 N 0.00 0.63 -0.21 1.06 1.57 -1.97 -0.43 116.57 117.23 3hg4 h LYS 67 Ca -0.00 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 3hg4 h LYS 67 Cb 0.54 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3hg4 h LYS 67 CO 0.04 0.77 0.10 1.25 -0.57 0.00 0.00 179.45 181.04 3hg4 h LEU 68 N 0.57 0.27 -0.30 2.94 5.85 -1.83 -0.73 115.31 122.09 3hg4 h LEU 68 Ca 0.09 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 3hg4 h LEU 68 Cb 0.61 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3hg4 h LEU 68 CO 0.04 0.32 -0.20 -0.26 -0.34 0.00 0.00 178.44 178.01 3hg4 h PHE 69 N 0.20 0.78 -0.27 1.25 0.04 -1.49 -0.67 116.94 116.79 3hg4 h PHE 69 Ca 0.07 -0.21 0.06 0.00 2.80 0.00 0.00 57.97 60.70 3hg4 h PHE 69 Cb 0.12 -0.17 -0.07 0.00 2.20 0.00 0.00 35.95 38.03 3hg4 h PHE 69 CO -0.02 0.92 -0.20 0.52 -0.60 0.00 0.00 178.31 178.93 3hg4 h MET 70 N 0.42 -0.17 -0.41 1.51 2.86 -1.05 0.97 114.93 119.05 3hg4 h MET 70 Ca 0.06 0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.61 3hg4 h MET 70 Cb 0.74 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 3hg4 h MET 70 CO 0.05 -0.12 -0.15 1.49 1.06 0.00 0.00 176.91 179.25 3hg4 h GLU 71 N -0.18 0.77 -0.71 1.72 4.81 -1.01 -1.85 114.58 118.12 3hg4 h GLU 71 Ca 0.15 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 3hg4 h GLU 71 Cb 0.40 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 3hg4 h GLU 71 CO -0.38 0.87 0.24 1.98 -0.73 0.00 0.00 179.01 181.00 3hg4 h MET 72 N 0.68 1.09 -0.11 1.92 4.05 -0.84 -2.20 114.93 119.52 3hg4 h MET 72 Ca 0.11 -0.22 0.01 0.00 -0.28 0.00 0.00 59.70 59.32 3hg4 h MET 72 Cb 0.64 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 3hg4 h MET 72 CO 0.04 0.93 0.02 0.00 0.23 0.00 0.00 176.91 178.13 3hg4 h ALA 73 N 1.11 0.11 -0.53 0.39 0.00 -0.41 -0.62 119.26 119.32 3hg4 h ALA 73 Ca 0.23 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.25 3hg4 h ALA 73 Cb 0.28 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 3hg4 h ALA 73 CO -0.01 -0.43 0.10 0.93 0.00 0.00 0.00 179.25 179.84 3hg4 h GLU 74 N 0.07 0.23 0.00 0.00 5.08 -1.19 -2.53 114.58 116.24 3hg4 h GLU 74 Ca 0.05 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 3hg4 h GLU 74 Cb 0.04 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3hg4 h GLU 74 CO -0.06 0.15 -0.56 -0.07 -1.00 0.00 0.00 179.01 177.47 3hg4 h LEU 75 N 0.24 0.00 -0.67 1.33 3.38 -1.19 -0.32 115.31 118.08 3hg4 h LEU 75 Ca 0.27 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.26 3hg4 h LEU 75 Cb 0.38 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3hg4 h LEU 75 CO -0.36 0.56 0.43 0.24 0.09 0.00 0.00 178.44 179.40 3hg4 h MET 76 N 0.00 0.83 0.46 1.13 2.86 -0.71 -0.88 114.93 118.61 3hg4 h MET 76 Ca -0.01 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3hg4 h MET 76 Cb 1.03 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.51 3hg4 h MET 76 CO 0.07 0.55 -0.22 0.28 1.06 0.00 0.00 176.91 178.65 3hg4 h VAL 77 N 0.85 0.00 0.00 -2.22 2.07 -1.25 -1.47 116.25 114.23 3hg4 h VAL 77 Ca 0.26 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 3hg4 h VAL 77 Cb -0.03 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.73 3hg4 h VAL 77 CO -0.08 0.00 -0.16 0.77 0.02 0.00 0.00 177.57 178.12 3hg4 h SER 78 N -0.98 0.00 -0.45 0.57 4.64 -1.04 -2.81 113.55 113.47 3hg4 h SER 78 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3hg4 h SER 78 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3hg4 h SER 78 CO 0.10 0.16 0.00 -0.62 -0.87 0.00 0.00 176.83 175.60 3hg4 n GLU 79 N -3.58 3.81 -0.88 4.77 -0.58 -0.34 -4.96 120.64 118.88 3hg4 n GLU 79 Ca -0.01 -2.92 0.00 0.00 -0.42 0.00 0.00 57.16 53.80 3hg4 n GLU 79 Cb 0.29 -1.98 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 3hg4 n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hg4 n GLY 80 N 0.26 0.78 0.18 0.62 0.00 -1.06 -4.94 105.19 101.03 3hg4 n GLY 80 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 3hg4 n GLY 80 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3hg4 h TRP 81 N 0.00 0.59 -0.53 1.61 4.06 -1.53 -2.06 115.95 118.09 3hg4 h TRP 81 Ca 0.00 -0.10 -0.02 0.00 2.06 0.00 0.00 58.89 60.83 3hg4 h TRP 81 Cb 0.00 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 27.98 3hg4 h TRP 81 CO 0.00 0.67 0.25 -0.22 -3.56 0.00 0.00 178.44 175.58 3hg4 h LYS 82 N 0.33 0.76 -0.81 0.49 3.64 -1.40 -1.83 116.57 117.75 3hg4 h LYS 82 Ca 0.09 -0.12 0.09 0.00 -1.27 0.00 0.00 60.65 59.44 3hg4 h LYS 82 Cb 0.44 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 3hg4 h LYS 82 CO 0.02 0.64 0.53 -0.44 -2.27 0.00 0.00 179.45 177.92 3hg4 h ASP 83 N 0.71 0.69 1.15 4.20 3.45 -1.81 -0.79 116.42 124.01 3hg4 h ASP 83 Ca 0.18 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.66 3hg4 h ASP 83 Cb 0.13 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3hg4 h ASP 83 CO -0.02 0.41 0.00 0.00 -1.57 0.00 0.00 179.24 178.06 3hg4 h ALA 84 N 1.59 1.00 0.00 3.45 0.00 -0.84 -3.47 119.26 120.99 3hg4 h ALA 84 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3hg4 h ALA 84 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3hg4 h ALA 84 CO -0.14 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.52 3hg4 n GLY 85 N 0.60 1.20 3.56 0.00 0.00 -0.30 -5.04 105.19 105.20 3hg4 n GLY 85 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3hg4 n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hg4 s TYR 86 N -2.00 2.02 -0.16 1.61 2.02 -0.74 -4.57 117.35 115.53 3hg4 s TYR 86 Ca 0.00 0.39 0.09 0.00 -0.37 0.00 0.00 57.07 57.19 3hg4 s TYR 86 Cb 0.00 -4.36 -0.16 0.00 -0.40 0.00 0.00 41.96 37.04 3hg4 s TYR 86 CO 0.00 -2.17 -0.02 -1.91 -1.57 0.00 0.00 175.55 169.87 3hg4 n GLU 87 N 9.16 1.19 -3.35 -0.62 4.07 -0.48 -3.71 120.64 126.89 3hg4 n GLU 87 Ca 0.12 0.03 -0.42 0.00 -0.06 0.00 0.00 57.16 56.84 3hg4 n GLU 87 Cb 0.50 -1.38 -0.09 0.00 -0.06 0.00 0.00 31.44 30.41 3hg4 n GLU 87 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 3hg4 s TYR 88 N -2.37 3.19 -0.39 4.31 2.02 -0.97 -1.28 117.35 121.85 3hg4 s TYR 88 Ca -0.14 -0.17 -0.24 0.00 -0.37 0.00 0.00 57.07 56.15 3hg4 s TYR 88 Cb 0.05 -2.79 0.02 0.00 -0.40 0.00 0.00 41.96 38.84 3hg4 s TYR 88 CO 0.55 -0.56 0.84 -1.17 -1.57 0.00 0.00 175.55 173.64 3hg4 s LEU 89 N 2.10 4.10 -0.14 -1.29 2.96 0.71 -0.46 118.68 126.65 3hg4 s LEU 89 Ca 0.12 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 3hg4 s LEU 89 Cb -0.17 -3.09 -0.01 0.00 0.50 0.00 0.00 46.19 43.42 3hg4 s LEU 89 CO 0.13 -0.84 -0.14 0.00 -1.32 0.00 0.00 176.35 174.18 3hg4 s ILE 91 N 0.60 4.86 0.00 0.00 1.01 0.00 -3.04 121.20 124.63 3hg4 s ILE 91 Ca -0.08 1.55 0.00 0.00 0.00 0.00 0.00 60.65 62.12 3hg4 s ILE 91 Cb -0.16 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.23 3hg4 s ILE 91 CO 0.03 0.32 0.00 -0.67 0.00 0.00 0.00 174.94 174.62 3hg4 n ASP 92 N 3.16 0.00 -4.73 3.58 -0.08 -1.26 -3.17 116.55 114.05 3hg4 n ASP 92 Ca -0.02 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.95 3hg4 n ASP 92 Cb 0.51 0.00 0.12 0.00 2.34 0.00 0.00 41.12 44.08 3hg4 n ASP 92 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3hg4 s ASP 93 N -1.00 3.90 -0.00 1.67 -1.08 -1.26 -4.35 116.67 114.54 3hg4 s ASP 93 Ca 0.00 2.03 -0.00 0.00 -0.52 0.00 0.00 52.55 54.06 3hg4 s ASP 93 Cb 0.00 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 3hg4 s ASP 93 CO 0.00 -2.45 0.00 0.00 0.52 0.00 0.00 175.17 173.24 3hg4 n TRP 95 N -3.01 0.00 -2.48 0.00 4.27 -1.26 -4.87 117.44 110.08 3hg4 n TRP 95 Ca -0.00 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.28 3hg4 n TRP 95 Cb 0.50 -0.37 -0.03 0.00 -1.36 0.00 0.00 31.31 30.05 3hg4 n TRP 95 CO 0.00 0.00 0.00 -1.64 -2.29 0.00 0.00 177.69 173.76 3hg4 s MET 96 N -3.15 3.81 0.64 -2.67 -1.94 -1.26 -0.79 119.30 113.95 3hg4 s MET 96 Ca -0.05 1.23 -0.14 0.00 -1.71 0.00 0.00 55.69 55.01 3hg4 s MET 96 Cb 0.11 -2.11 -0.01 0.00 2.01 0.00 0.00 34.83 34.83 3hg4 s MET 96 CO 0.71 -0.40 1.07 0.00 -0.01 0.00 0.00 175.02 176.39 3hg4 s ALA 97 N -2.20 2.62 0.44 3.03 0.00 0.72 -4.14 121.76 122.23 3hg4 s ALA 97 Ca 0.64 0.37 0.14 0.00 0.00 0.00 0.00 51.96 53.12 3hg4 s ALA 97 Cb -0.14 -3.25 1.05 0.00 0.00 0.00 0.00 23.12 20.78 3hg4 s ALA 97 CO 0.23 -1.07 1.98 -1.35 0.00 0.00 0.00 175.76 175.55 3hg4 h PRO 98 N 0.02 0.38 -5.99 0.00 0.11 -1.95 -3.43 132.00 121.14 3hg4 h PRO 98 Ca -0.46 -0.02 -0.55 0.00 0.11 0.00 0.00 66.00 65.08 3hg4 h PRO 98 Cb 1.23 -0.08 -0.15 0.00 0.11 0.00 0.00 31.00 32.10 3hg4 h PRO 98 CO 0.56 0.25 -0.76 -0.65 -0.21 0.00 0.00 178.00 177.19 3hg4 s GLN 99 N -5.37 1.50 0.59 1.05 -1.52 -1.26 -4.40 119.66 110.25 3hg4 s GLN 99 Ca -0.08 -1.65 -0.14 0.00 -1.95 0.00 0.00 55.36 51.54 3hg4 s GLN 99 Cb 0.20 -1.50 -0.04 0.00 -0.22 0.00 0.00 33.01 31.44 3hg4 s GLN 99 CO 0.75 0.28 1.03 1.03 -0.25 0.00 0.00 175.29 178.13 3hg4 s ARG 100 N -3.41 3.49 0.32 2.91 0.52 -1.26 -4.48 118.95 117.03 3hg4 s ARG 100 Ca 0.25 1.01 -0.05 0.00 -0.52 0.00 0.00 55.73 56.42 3hg4 s ARG 100 Cb -0.04 -2.06 0.08 0.00 0.52 0.00 0.00 34.95 33.44 3hg4 s ARG 100 CO 0.11 -0.66 0.32 -0.40 0.02 0.00 0.00 175.30 174.69 3hg4 n ASP 101 N -2.20 -0.88 0.28 0.23 5.68 0.33 -4.84 116.55 115.15 3hg4 n ASP 101 Ca 0.07 -0.82 0.17 0.00 -0.50 0.00 0.00 54.79 53.71 3hg4 n ASP 101 Cb 0.53 -0.28 0.73 0.00 -1.14 0.00 0.00 41.12 40.97 3hg4 n ASP 101 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3hg4 h SER 102 N -1.16 0.00 -0.17 -1.12 4.64 -1.98 -1.83 113.55 111.92 3hg4 h SER 102 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3hg4 h SER 102 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3hg4 h SER 102 CO 0.08 0.02 0.00 -0.62 -0.87 0.00 0.00 176.83 175.43 3hg4 n GLU 103 N -3.12 1.80 -1.03 4.77 -0.58 -1.26 -4.92 120.64 116.30 3hg4 n GLU 103 Ca 0.00 -1.20 -0.01 0.00 -0.42 0.00 0.00 57.16 55.53 3hg4 n GLU 103 Cb 0.29 -1.41 -0.00 0.00 -0.57 0.00 0.00 31.44 29.74 3hg4 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hg4 n GLY 104 N 1.17 0.46 3.89 0.62 0.00 -0.69 -5.02 105.19 105.63 3hg4 n GLY 104 Ca 0.17 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3hg4 n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hg4 s ARG 105 N -0.82 3.65 0.67 1.61 0.52 -1.26 -4.77 118.95 118.55 3hg4 s ARG 105 Ca 0.00 -0.01 -0.17 0.00 -0.52 0.00 0.00 55.73 55.02 3hg4 s ARG 105 Cb 0.00 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.69 3hg4 s ARG 105 CO 0.00 0.40 1.28 -0.51 0.02 0.00 0.00 175.30 176.49 3hg4 s LEU 106 N -2.83 3.51 0.03 2.53 1.43 -1.26 -0.51 118.68 121.57 3hg4 s LEU 106 Ca 0.43 2.58 0.03 0.00 -1.03 0.00 0.00 54.13 56.14 3hg4 s LEU 106 Cb -0.12 -4.61 -0.02 0.00 0.03 0.00 0.00 46.19 41.47 3hg4 s LEU 106 CO 0.25 -2.11 -0.08 0.00 0.23 0.00 0.00 176.35 174.63 3hg4 s GLN 107 N -3.50 0.58 0.50 1.70 -2.07 -1.26 -4.78 119.66 110.83 3hg4 s GLN 107 Ca 0.81 -0.61 -0.22 0.00 -1.82 0.00 0.00 55.36 53.52 3hg4 s GLN 107 Cb -0.36 -0.45 -0.06 0.00 -1.09 0.00 0.00 33.01 31.04 3hg4 s GLN 107 CO 0.41 0.10 1.23 0.00 -1.32 0.00 0.00 175.29 175.71 3hg4 s ALA 108 N -0.95 2.89 0.15 2.60 0.00 -1.26 -0.20 121.76 124.99 3hg4 s ALA 108 Ca -0.05 1.06 -0.34 0.00 0.00 0.00 0.00 51.96 52.64 3hg4 s ALA 108 Cb -0.07 -3.44 -0.14 0.00 0.00 0.00 0.00 23.12 19.46 3hg4 s ALA 108 CO 0.00 -0.92 1.59 -3.47 0.00 0.00 0.00 175.76 172.96 3hg4 n ASP 109 N -0.74 3.09 0.16 0.00 2.03 0.03 -4.17 116.55 116.96 3hg4 n ASP 109 Ca 0.09 1.08 0.03 0.00 0.52 0.00 0.00 54.79 56.51 3hg4 n ASP 109 Cb 0.47 -1.42 0.23 0.00 -0.72 0.00 0.00 41.12 39.68 3hg4 n ASP 109 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hg4 h PRO 110 N 6.03 0.00 0.22 -0.67 0.13 -1.92 0.96 132.00 136.75 3hg4 h PRO 110 Ca -0.45 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.36 3hg4 h PRO 110 Cb 1.25 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.41 3hg4 h PRO 110 CO 0.89 0.47 -1.41 1.96 -0.23 0.00 0.00 178.00 179.68 3hg4 h GLN 111 N 0.00 0.46 0.00 0.86 7.50 -1.96 -3.05 115.11 118.91 3hg4 h GLN 111 Ca -0.00 -0.78 -0.18 0.00 0.50 0.00 0.00 58.65 58.18 3hg4 h GLN 111 Cb 1.07 0.29 -0.03 0.00 0.05 0.00 0.00 27.48 28.86 3hg4 h GLN 111 CO 0.06 1.37 -1.86 0.54 -1.50 0.00 0.00 178.83 177.45 3hg4 n ARG 112 N -3.66 0.65 -3.05 1.46 1.74 -1.23 -4.44 116.66 108.14 3hg4 n ARG 112 Ca -0.14 0.04 -0.23 0.00 -0.77 0.00 0.00 57.85 56.75 3hg4 n ARG 112 Cb 1.08 -1.65 -0.04 0.00 -1.02 0.00 0.00 32.46 30.84 3hg4 n ARG 112 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3hg4 n PHE 113 N -2.68 2.45 0.23 -1.55 3.72 0.33 -1.19 117.46 118.78 3hg4 n PHE 113 Ca -0.15 -3.93 0.14 0.00 -0.05 0.00 0.00 57.45 53.46 3hg4 n PHE 113 Cb 0.86 -0.46 0.72 0.00 -0.94 0.00 0.00 39.48 39.66 3hg4 n PHE 113 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hg4 h PRO 114 N 2.99 0.00 0.00 -1.08 0.13 -1.65 -1.92 132.00 130.47 3hg4 h PRO 114 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3hg4 h PRO 114 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3hg4 h PRO 114 CO 0.69 0.00 -0.96 0.72 -0.23 0.00 0.00 178.00 178.21 3hg4 n HIS 115 N -2.46 0.04 0.00 1.56 8.25 -1.26 -5.02 115.22 116.33 3hg4 n HIS 115 Ca -0.01 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hg4 n HIS 115 Cb 0.07 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.03 3hg4 n HIS 115 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hg4 n GLY 116 N 1.47 -1.27 0.24 -1.41 0.00 -0.72 -4.31 105.19 99.18 3hg4 n GLY 116 Ca 0.03 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 3hg4 n GLY 116 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hg4 h ILE 117 N 0.00 1.29 -0.41 -0.61 1.08 -1.95 -2.94 117.51 113.98 3hg4 h ILE 117 Ca 0.00 -1.71 0.07 0.00 -0.39 0.00 0.00 64.86 62.82 3hg4 h ILE 117 Cb 0.00 1.63 -0.06 0.00 -3.07 0.00 0.00 36.82 35.32 3hg4 h ILE 117 CO 0.00 0.55 0.06 -0.09 -0.69 0.00 0.00 178.15 177.98 3hg4 h ARG 118 N 0.59 0.18 -0.15 2.37 9.65 -1.85 0.25 114.38 125.42 3hg4 h ARG 118 Ca 0.02 -0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 58.79 3hg4 h ARG 118 Cb 1.09 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.61 3hg4 h ARG 118 CO 0.11 0.12 -0.35 1.96 2.80 0.00 0.00 179.97 184.61 3hg4 h GLN 119 N 0.19 0.31 -0.28 0.20 4.20 -1.74 -0.85 115.11 117.13 3hg4 h GLN 119 Ca 0.20 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 3hg4 h GLN 119 Cb 0.25 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 3hg4 h GLN 119 CO -0.28 0.62 -0.26 1.25 -0.67 0.00 0.00 178.83 179.50 3hg4 h LEU 120 N 0.27 0.72 -0.68 1.46 5.85 -1.18 -1.84 115.31 119.91 3hg4 h LEU 120 Ca 0.03 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 58.30 3hg4 h LEU 120 Cb 0.74 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3hg4 h LEU 120 CO 0.06 1.03 0.45 0.00 -0.34 0.00 0.00 178.44 179.63 3hg4 h ALA 121 N 0.71 0.87 -0.56 1.25 0.00 -0.36 0.78 119.26 121.95 3hg4 h ALA 121 Ca 0.05 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3hg4 h ALA 121 Cb 0.82 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3hg4 h ALA 121 CO 0.06 0.27 0.26 -0.91 0.00 0.00 0.00 179.25 178.93 3hg4 h ASN 122 N 0.90 0.35 -0.51 0.00 2.35 -1.12 0.68 115.58 118.23 3hg4 h ASN 122 Ca 0.26 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 56.01 3hg4 h ASN 122 Cb -0.08 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 3hg4 h ASN 122 CO -0.07 0.23 0.18 0.22 -1.65 0.00 0.00 177.43 176.34 3hg4 h TYR 123 N 0.50 0.81 -0.17 1.19 3.20 -0.82 -1.77 116.97 119.91 3hg4 h TYR 123 Ca 0.26 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 3hg4 h TYR 123 Cb 0.21 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3hg4 h TYR 123 CO -0.12 0.69 0.03 0.28 -1.64 0.00 0.00 178.16 177.40 3hg4 h VAL 124 N 0.70 1.22 -0.64 1.81 2.07 -0.51 -2.96 116.25 117.94 3hg4 h VAL 124 Ca 0.17 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3hg4 h VAL 124 Cb 0.25 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3hg4 h VAL 124 CO -0.01 0.22 0.40 0.45 0.02 0.00 0.00 177.57 178.65 3hg4 h HIS 125 N 0.07 0.82 0.00 1.57 3.86 -0.83 -1.65 115.15 118.99 3hg4 h HIS 125 Ca 0.05 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3hg4 h HIS 125 Cb 0.31 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.50 3hg4 h HIS 125 CO 0.02 0.54 0.00 -1.13 0.86 0.00 0.00 177.93 178.22 3hg4 n SER 126 N -4.42 0.27 -1.01 2.45 3.41 -0.67 -0.47 113.62 113.18 3hg4 n SER 126 Ca 0.06 0.55 0.11 0.00 -0.26 0.00 0.00 58.87 59.34 3hg4 n SER 126 Cb 0.06 -0.62 0.26 0.00 -0.26 0.00 0.00 64.21 63.66 3hg4 n SER 126 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hg4 n LYS 127 N -1.78 2.31 -1.10 4.33 4.76 -0.90 -4.95 118.16 120.82 3hg4 n LYS 127 Ca 0.04 -1.99 -0.03 0.00 -2.87 0.00 0.00 58.31 53.45 3hg4 n LYS 127 Cb 0.24 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.94 3hg4 n LYS 127 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hg4 n GLY 128 N 1.41 0.65 3.83 0.72 0.00 0.39 -4.93 105.19 107.26 3hg4 n GLY 128 Ca 0.19 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 3hg4 n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg4 s LEU 129 N -0.79 3.10 0.17 0.99 1.43 -0.67 -5.00 118.68 117.91 3hg4 s LEU 129 Ca 0.00 -1.02 0.10 0.00 -1.03 0.00 0.00 54.13 52.19 3hg4 s LEU 129 Cb 0.00 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 3hg4 s LEU 129 CO 0.00 -0.72 -0.20 -0.54 0.23 0.00 0.00 176.35 175.12 3hg4 s LYS 130 N -4.07 1.67 -0.20 1.70 1.02 -0.41 -3.44 119.74 116.01 3hg4 s LYS 130 Ca 0.41 -1.39 -0.05 0.00 0.02 0.00 0.00 55.97 54.96 3hg4 s LYS 130 Cb -0.00 -1.97 -0.02 0.00 -0.52 0.00 0.00 37.83 35.32 3hg4 s LYS 130 CO 0.24 0.43 0.00 -1.17 -0.92 0.00 0.00 175.35 173.93 3hg4 s LEU 131 N -2.56 3.27 0.03 3.17 2.96 -1.26 -0.21 118.68 124.09 3hg4 s LEU 131 Ca 0.21 -0.20 -0.03 0.00 -0.22 0.00 0.00 54.13 53.89 3hg4 s LEU 131 Cb -0.09 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 3hg4 s LEU 131 CO 0.11 0.06 0.23 -0.83 -1.32 0.00 0.00 176.35 174.60 3hg4 s GLY 132 N 1.03 2.20 0.39 7.98 0.00 0.94 -0.38 107.32 119.49 3hg4 s GLY 132 Ca 0.02 -0.72 0.05 0.00 0.00 0.00 0.00 44.72 44.07 3hg4 s GLY 132 CO 0.02 -0.62 0.18 -1.50 0.00 0.00 0.00 173.10 171.17 3hg4 s ILE 133 N -1.41 0.39 -0.00 0.90 2.07 0.35 -0.82 121.20 122.68 3hg4 s ILE 133 Ca 0.31 -2.00 0.02 0.00 -1.41 0.00 0.00 60.65 57.57 3hg4 s ILE 133 Cb -0.13 -2.36 -0.01 0.00 0.13 0.00 0.00 42.46 40.10 3hg4 s ILE 133 CO 0.21 0.00 -0.07 -0.47 -1.91 0.00 0.00 174.94 172.70 3hg4 s TYR 134 N -3.26 0.67 0.25 3.50 5.04 -1.19 -0.65 117.35 121.69 3hg4 s TYR 134 Ca 0.27 -0.14 -0.00 0.00 -2.44 0.00 0.00 57.07 54.76 3hg4 s TYR 134 Cb 0.02 -0.43 0.00 0.00 0.35 0.00 0.00 41.96 41.91 3hg4 s TYR 134 CO 0.18 -0.01 0.32 0.00 -1.34 0.00 0.00 175.55 174.70 3hg4 n ALA 135 N 2.84 -0.14 -2.84 3.97 0.00 -0.17 -4.94 120.51 119.23 3hg4 n ALA 135 Ca -0.14 -1.17 -0.13 0.00 0.00 0.00 0.00 53.44 52.00 3hg4 n ALA 135 Cb 0.57 0.94 -0.14 0.00 0.00 0.00 0.00 19.45 20.83 3hg4 n ALA 135 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hg4 s ASP 136 N -2.54 0.17 0.47 0.00 -1.08 -1.26 -0.13 116.67 112.31 3hg4 s ASP 136 Ca 0.21 -0.03 0.24 0.00 -0.52 0.00 0.00 52.55 52.45 3hg4 s ASP 136 Cb -0.00 -0.02 1.17 0.00 -1.46 0.00 0.00 42.92 42.61 3hg4 s ASP 136 CO 0.15 0.01 1.95 1.62 0.52 0.00 0.00 175.17 179.43 3hg4 h VAL 137 N 5.11 0.65 -1.47 1.11 3.04 -1.12 -0.65 116.25 122.92 3hg4 h VAL 137 Ca -0.25 -0.85 0.00 0.00 -1.01 0.00 0.00 66.70 64.59 3hg4 h VAL 137 Cb 1.21 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 32.03 3hg4 h VAL 137 CO 0.51 0.19 0.00 0.61 -1.01 0.00 0.00 177.57 177.87 3hg4 n GLY 138 N -0.35 0.03 0.14 3.17 0.00 -1.21 -3.56 105.19 103.40 3hg4 n GLY 138 Ca -0.01 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.40 3hg4 n GLY 138 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hg4 h ASN 139 N 0.00 0.00 -4.99 1.61 2.35 -1.70 -2.33 115.58 110.52 3hg4 h ASN 139 Ca 0.00 -0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 55.53 3hg4 h ASN 139 Cb 0.00 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 38.17 3hg4 h ASN 139 CO 0.00 0.02 -0.70 -0.54 -1.65 0.00 0.00 177.43 174.56 3hg4 s LYS 140 N -3.24 0.42 0.87 0.81 1.02 -1.26 -1.07 119.74 117.29 3hg4 s LYS 140 Ca 0.05 -0.79 -0.11 0.00 0.02 0.00 0.00 55.97 55.13 3hg4 s LYS 140 Cb 0.09 0.06 0.12 0.00 -0.52 0.00 0.00 37.83 37.58 3hg4 s LYS 140 CO 0.71 -0.05 1.09 0.95 -0.92 0.00 0.00 175.35 177.14 3hg4 s THR 141 N -2.05 2.75 0.39 2.17 -4.23 0.17 -4.41 115.64 110.42 3hg4 s THR 141 Ca -0.09 0.24 0.13 0.00 -1.18 0.00 0.00 61.69 60.79 3hg4 s THR 141 Cb -0.06 -2.77 0.35 0.00 1.34 0.00 0.00 72.50 71.36 3hg4 s THR 141 CO -0.03 -0.32 1.88 0.00 -0.54 0.00 0.00 174.62 175.62 3hg4 n ALA 143 N -2.48 2.63 0.00 0.00 0.00 -1.26 -4.93 120.51 114.46 3hg4 n ALA 143 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3hg4 n ALA 143 Cb 0.54 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3hg4 n ALA 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hg4 n GLY 144 N 1.44 1.08 3.95 0.00 0.00 0.13 -5.08 105.19 106.70 3hg4 n GLY 144 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 3hg4 n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hg4 s PHE 145 N -2.00 3.13 0.03 1.61 0.08 -1.26 -4.72 117.98 114.85 3hg4 s PHE 145 Ca 0.00 0.28 -0.38 0.00 0.12 0.00 0.00 56.93 56.95 3hg4 s PHE 145 Cb 0.00 -2.55 -0.17 0.00 -0.57 0.00 0.00 43.02 39.73 3hg4 s PHE 145 CO 0.00 -0.63 1.33 -2.30 -0.10 0.00 0.00 175.22 173.52 3hg4 n PRO 146 N -2.29 0.92 -2.05 0.24 -0.02 -1.26 0.42 135.00 130.96 3hg4 n PRO 146 Ca 0.04 0.33 -0.28 0.00 -2.02 0.00 0.00 63.50 61.57 3hg4 n PRO 146 Cb 0.58 -1.95 0.07 0.00 -0.02 0.00 0.00 33.50 32.18 3hg4 n PRO 146 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3hg4 s GLY 147 N 0.69 1.63 0.00 -1.23 0.00 -0.23 -4.22 107.32 103.96 3hg4 s GLY 147 Ca 0.87 -0.72 0.20 0.00 0.00 0.00 0.00 44.72 45.07 3hg4 s GLY 147 CO 0.51 -0.29 0.90 1.44 0.00 0.00 0.00 173.10 175.66 3hg4 n SER 148 N -3.08 1.34 -4.67 1.64 7.64 -0.25 -4.83 113.62 111.41 3hg4 n SER 148 Ca 0.08 -1.17 -0.45 0.00 1.01 0.00 0.00 58.87 58.33 3hg4 n SER 148 Cb 0.60 0.77 -0.03 0.00 -1.01 0.00 0.00 64.21 64.54 3hg4 n SER 148 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3hg4 n PHE 149 N -0.83 2.23 -0.23 1.43 7.35 -0.92 -0.26 117.46 126.22 3hg4 n PHE 149 Ca 0.06 0.35 0.00 0.00 -0.76 0.00 0.00 57.45 57.10 3hg4 n PHE 149 Cb 0.35 -2.50 0.00 0.00 0.35 0.00 0.00 39.48 37.68 3hg4 n PHE 149 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hg4 n GLY 150 N 2.78 1.91 0.47 7.13 0.00 -1.26 -4.82 105.19 111.40 3hg4 n GLY 150 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 3hg4 n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hg4 n TYR 151 N -2.00 0.00 -0.25 1.61 4.01 0.64 -4.92 117.16 116.25 3hg4 n TYR 151 Ca 0.00 -0.31 0.02 0.00 -0.16 0.00 0.00 57.90 57.45 3hg4 n TYR 151 Cb 0.00 -0.09 0.15 0.00 -0.31 0.00 0.00 39.34 39.09 3hg4 n TYR 151 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3hg4 h TYR 152 N 0.10 0.60 0.00 -0.72 0.05 -1.78 -1.06 116.97 114.17 3hg4 h TYR 152 Ca -0.02 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.65 3hg4 h TYR 152 Cb 1.33 -0.16 0.01 0.00 1.01 0.00 0.00 36.73 38.92 3hg4 h TYR 152 CO 0.10 0.19 -0.58 -0.44 -1.05 0.00 0.00 178.16 176.38 3hg4 h ASP 153 N 0.57 0.51 -0.37 3.88 3.32 -1.91 -2.10 116.42 120.32 3hg4 h ASP 153 Ca 0.36 -0.77 -0.07 0.00 0.02 0.00 0.00 57.03 56.57 3hg4 h ASP 153 Cb 0.42 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3hg4 h ASP 153 CO -0.29 1.21 -0.05 0.16 -1.72 0.00 0.00 179.24 178.55 3hg4 h ILE 154 N -0.14 1.27 -0.44 0.35 3.07 -1.93 -1.63 117.51 118.05 3hg4 h ILE 154 Ca -0.07 -1.09 0.03 0.00 1.55 0.00 0.00 64.86 65.27 3hg4 h ILE 154 Cb 1.30 1.23 -0.03 0.00 -0.27 0.00 0.00 36.82 39.05 3hg4 h ILE 154 CO 0.11 0.36 0.24 0.44 -1.05 0.00 0.00 178.15 178.26 3hg4 h ASP 155 N 0.49 0.38 -0.29 2.16 3.45 -1.26 0.92 116.42 122.27 3hg4 h ASP 155 Ca 0.10 0.01 0.05 0.00 0.43 0.00 0.00 57.03 57.62 3hg4 h ASP 155 Cb 0.54 -0.07 -0.05 0.00 -0.56 0.00 0.00 39.33 39.20 3hg4 h ASP 155 CO 0.03 0.27 -0.00 0.00 -1.57 0.00 0.00 179.24 177.97 3hg4 h ALA 156 N 1.21 0.26 -0.67 3.45 0.00 -1.34 -0.63 119.26 121.55 3hg4 h ALA 156 Ca 0.18 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3hg4 h ALA 156 Cb 0.05 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3hg4 h ALA 156 CO -0.10 -0.41 0.13 0.37 0.00 0.00 0.00 179.25 179.24 3hg4 h GLN 157 N 0.08 1.08 0.06 0.00 5.75 -0.62 -1.64 115.11 119.83 3hg4 h GLN 157 Ca 0.14 -0.27 0.02 0.00 -0.15 0.00 0.00 58.65 58.39 3hg4 h GLN 157 Cb 0.19 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 3hg4 h GLN 157 CO -0.24 0.97 -0.15 1.15 -2.65 0.00 0.00 178.83 177.92 3hg4 h THR 158 N 1.02 0.65 -0.57 2.39 2.02 0.13 0.22 112.91 118.76 3hg4 h THR 158 Ca 0.21 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.44 3hg4 h THR 158 Cb 0.40 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 3hg4 h THR 158 CO 0.01 0.00 0.30 -0.26 0.37 0.00 0.00 175.52 175.94 3hg4 h PHE 159 N -0.28 0.56 -0.45 3.16 0.04 -0.94 -0.15 116.94 118.87 3hg4 h PHE 159 Ca 0.03 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 3hg4 h PHE 159 Cb 0.31 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 3hg4 h PHE 159 CO -0.17 0.27 0.15 0.00 -0.60 0.00 0.00 178.31 177.96 3hg4 h ALA 160 N 1.30 0.59 -0.75 2.45 0.00 -1.02 -0.43 119.26 121.40 3hg4 h ALA 160 Ca 0.25 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hg4 h ALA 160 Cb 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3hg4 h ALA 160 CO -0.16 0.23 0.50 -0.44 0.00 0.00 0.00 179.25 179.38 3hg4 h ASP 161 N 0.59 0.82 0.96 0.00 3.32 -0.23 -2.01 116.42 119.88 3hg4 h ASP 161 Ca 0.15 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3hg4 h ASP 161 Cb 0.24 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3hg4 h ASP 161 CO -0.01 0.57 0.00 0.79 -1.72 0.00 0.00 179.24 178.88 3hg4 n TRP 162 N -4.44 0.39 -1.38 4.55 8.01 -0.10 -4.91 117.44 119.56 3hg4 n TRP 162 Ca 0.09 0.13 0.00 0.00 -1.31 0.00 0.00 57.50 56.41 3hg4 n TRP 162 Cb 0.09 -0.71 0.00 0.00 -2.01 0.00 0.00 31.31 28.68 3hg4 n TRP 162 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hg4 n GLY 163 N 0.84 0.73 3.76 6.99 0.00 -0.69 -4.18 105.19 112.64 3hg4 n GLY 163 Ca 0.05 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 3hg4 n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hg4 s VAL 164 N -2.00 3.38 -0.25 1.61 1.01 -0.26 -4.73 120.40 119.17 3hg4 s VAL 164 Ca 0.00 1.31 0.06 0.00 0.00 0.00 0.00 61.98 63.36 3hg4 s VAL 164 Cb 0.00 -3.80 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 3hg4 s VAL 164 CO 0.00 0.25 0.25 0.47 0.00 0.00 0.00 175.10 176.07 3hg4 n ASP 165 N 0.81 0.95 -3.74 3.32 8.00 0.49 -4.71 116.55 121.68 3hg4 n ASP 165 Ca 0.01 -0.52 -0.13 0.00 0.71 0.00 0.00 54.79 54.86 3hg4 n ASP 165 Cb 0.45 1.06 -0.11 0.00 -0.02 0.00 0.00 41.12 42.51 3hg4 n ASP 165 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hg4 s LEU 166 N -2.54 0.54 -0.13 0.64 0.20 -0.96 -0.58 118.68 115.85 3hg4 s LEU 166 Ca 0.01 0.74 0.02 0.00 0.69 0.00 0.00 54.13 55.59 3hg4 s LEU 166 Cb 0.05 1.24 0.02 0.00 -0.43 0.00 0.00 46.19 47.06 3hg4 s LEU 166 CO 0.27 -0.13 -0.17 -0.22 -0.29 0.00 0.00 176.35 175.80 3hg4 s LEU 167 N 0.33 1.86 -0.22 -0.68 2.96 0.94 -0.49 118.68 123.38 3hg4 s LEU 167 Ca -0.01 -0.51 -0.16 0.00 -0.22 0.00 0.00 54.13 53.22 3hg4 s LEU 167 Cb -0.03 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 3hg4 s LEU 167 CO -0.01 0.02 0.43 -0.75 -1.32 0.00 0.00 176.35 174.72 3hg4 s LYS 168 N 1.06 4.14 -0.30 1.98 2.20 0.17 -0.48 119.74 128.51 3hg4 s LYS 168 Ca -0.03 0.22 0.03 0.00 -0.36 0.00 0.00 55.97 55.83 3hg4 s LYS 168 Cb -0.15 -3.58 0.08 0.00 -1.51 0.00 0.00 37.83 32.68 3hg4 s LYS 168 CO -0.04 -0.14 -0.03 0.12 -0.36 0.00 0.00 175.35 174.90 3hg4 s PHE 169 N 1.62 3.51 0.64 4.03 5.36 0.51 -1.00 117.98 132.65 3hg4 s PHE 169 Ca 0.19 -2.64 -0.06 0.00 -0.96 0.00 0.00 56.93 53.47 3hg4 s PHE 169 Cb -0.15 -2.42 0.04 0.00 -0.34 0.00 0.00 43.02 40.15 3hg4 s PHE 169 CO 0.09 -0.91 0.94 0.34 -1.46 0.00 0.00 175.22 174.22 3hg4 s ASP 170 N 1.02 5.19 -0.10 6.13 -1.08 0.82 -2.39 116.67 126.25 3hg4 s ASP 170 Ca 0.01 0.53 0.14 0.00 -0.52 0.00 0.00 52.55 52.70 3hg4 s ASP 170 Cb -0.20 -1.34 0.34 0.00 -1.46 0.00 0.00 42.92 40.26 3hg4 s ASP 170 CO -0.06 -1.33 1.26 0.61 0.52 0.00 0.00 175.17 176.16 3hg4 n GLY 171 N -2.73 3.84 3.80 2.66 0.00 -1.26 -0.60 105.19 110.91 3hg4 n GLY 171 Ca 0.06 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 3hg4 n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hg4 n TYR 173 N -2.29 -1.95 -3.03 0.00 4.01 -1.26 -3.32 117.16 109.31 3hg4 n TYR 173 Ca 0.09 0.80 -0.14 0.00 -0.16 0.00 0.00 57.90 58.49 3hg4 n TYR 173 Cb 0.53 -4.30 -0.04 0.00 -0.31 0.00 0.00 39.34 35.22 3hg4 n TYR 173 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hg4 n ASP 175 N 2.78 1.58 -4.11 0.00 8.00 -1.26 -4.73 116.55 118.80 3hg4 n ASP 175 Ca 0.23 -2.12 -0.33 0.00 0.71 0.00 0.00 54.79 53.27 3hg4 n ASP 175 Cb 0.53 -0.37 -0.15 0.00 -0.02 0.00 0.00 41.12 41.10 3hg4 n ASP 175 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hg4 s SER 176 N -0.49 3.82 0.27 -2.24 0.15 -1.26 -5.02 113.70 108.93 3hg4 s SER 176 Ca 0.11 -0.98 -0.01 0.00 0.70 0.00 0.00 55.95 55.78 3hg4 s SER 176 Cb 0.08 -1.53 0.60 0.00 -1.71 0.00 0.00 66.02 63.45 3hg4 s SER 176 CO 0.05 -0.09 1.68 0.25 1.20 0.00 0.00 173.24 176.32 3hg4 h LEU 177 N 7.88 0.10 0.28 3.45 6.46 -1.97 -1.30 115.31 130.21 3hg4 h LEU 177 Ca -0.33 0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.58 3hg4 h LEU 177 Cb 1.10 0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 41.22 3hg4 h LEU 177 CO 0.56 -0.05 -0.17 -0.33 -0.62 0.00 0.00 178.44 177.83 3hg4 h GLU 178 N 0.29 -0.41 -0.74 1.25 5.08 -1.97 -2.48 114.58 115.61 3hg4 h GLU 178 Ca 0.49 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.89 3hg4 h GLU 178 Cb 0.90 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 3hg4 h GLU 178 CO -0.55 -0.27 0.49 -0.91 -1.00 0.00 0.00 179.01 176.76 3hg4 h ASN 179 N -0.43 0.83 0.69 1.42 -0.26 -1.76 -0.26 115.58 115.82 3hg4 h ASN 179 Ca -0.03 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.66 3hg4 h ASN 179 Cb 0.35 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.40 3hg4 h ASN 179 CO 0.03 0.59 -0.43 0.25 -1.06 0.00 0.00 177.43 176.81 3hg4 h LEU 180 N 0.97 -1.09 -0.26 1.61 5.85 -1.14 0.96 115.31 122.21 3hg4 h LEU 180 Ca 0.28 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.08 3hg4 h LEU 180 Cb -0.07 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3hg4 h LEU 180 CO -0.07 -0.67 0.09 0.00 -0.34 0.00 0.00 178.44 177.46 3hg4 h ALA 181 N -0.86 0.29 -0.51 1.25 0.00 -1.22 -1.75 119.26 116.46 3hg4 h ALA 181 Ca -0.09 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3hg4 h ALA 181 Cb 0.86 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3hg4 h ALA 181 CO 0.09 -0.32 0.26 -0.44 0.00 0.00 0.00 179.25 178.83 3hg4 h ASP 182 N 0.21 0.67 -0.48 0.00 3.32 -1.02 -1.42 116.42 117.69 3hg4 h ASP 182 Ca 0.11 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3hg4 h ASP 182 Cb 0.08 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3hg4 h ASP 182 CO -0.11 0.60 0.16 1.23 -1.72 0.00 0.00 179.24 179.39 3hg4 h GLY 183 N 0.69 0.80 1.04 2.75 0.00 -0.67 0.14 103.07 107.83 3hg4 h GLY 183 Ca 0.18 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 3hg4 h GLY 183 CO -0.02 0.43 0.21 -0.97 0.00 0.00 0.00 176.54 176.19 3hg4 h TYR 184 N 0.65 1.14 -0.21 5.60 0.05 -1.23 -0.59 116.97 122.37 3hg4 h TYR 184 Ca 0.16 -0.12 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 3hg4 h TYR 184 Cb 0.25 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 3hg4 h TYR 184 CO 0.01 0.91 -0.06 0.87 -1.05 0.00 0.00 178.16 178.84 3hg4 h LYS 185 N 1.03 0.41 0.15 4.88 1.57 -1.15 -2.74 116.57 120.72 3hg4 h LYS 185 Ca 0.22 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hg4 h LYS 185 Cb 0.32 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3hg4 h LYS 185 CO -0.00 0.67 -0.13 1.25 -0.57 0.00 0.00 179.45 180.66 3hg4 h HIS 186 N 0.13 -0.33 -0.97 -1.35 2.76 -0.59 -2.28 115.15 112.52 3hg4 h HIS 186 Ca 0.05 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.28 3hg4 h HIS 186 Cb 0.52 0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.54 3hg4 h HIS 186 CO 0.05 -0.20 0.62 1.98 -1.30 0.00 0.00 177.93 179.09 3hg4 h MET 187 N -0.29 1.12 -0.12 5.26 1.85 -1.17 0.31 114.93 121.89 3hg4 h MET 187 Ca -0.00 -0.07 0.04 0.00 -0.61 0.00 0.00 59.70 59.06 3hg4 h MET 187 Cb 0.27 -0.25 -0.04 0.00 0.43 0.00 0.00 31.60 32.00 3hg4 h MET 187 CO -0.02 0.74 -0.13 1.03 -0.40 0.00 0.00 176.91 178.13 3hg4 h SER 188 N 1.15 -0.41 0.13 1.39 0.87 -1.25 -0.51 113.55 114.93 3hg4 h SER 188 Ca 0.41 0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.94 3hg4 h SER 188 Cb 0.13 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3hg4 h SER 188 CO -0.16 -0.18 -0.40 -0.07 -0.53 0.00 0.00 176.83 175.49 3hg4 h LEU 189 N -0.17 0.36 -0.55 2.23 3.38 -0.80 -2.53 115.31 117.24 3hg4 h LEU 189 Ca 0.09 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3hg4 h LEU 189 Cb 0.29 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3hg4 h LEU 189 CO -0.22 0.73 0.08 0.00 0.09 0.00 0.00 178.44 179.12 3hg4 h ALA 190 N 1.29 0.74 -0.46 1.53 0.00 -0.02 -2.16 119.26 120.18 3hg4 h ALA 190 Ca 0.03 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3hg4 h ALA 190 Cb 0.83 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3hg4 h ALA 190 CO 0.07 0.49 -0.04 -0.07 0.00 0.00 0.00 179.25 179.70 3hg4 h LEU 191 N 0.82 0.83 -0.54 0.00 3.38 -1.03 -3.10 115.31 115.67 3hg4 h LEU 191 Ca 0.17 -0.33 0.10 0.00 0.09 0.00 0.00 57.88 57.91 3hg4 h LEU 191 Cb 0.43 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 3hg4 h LEU 191 CO 0.01 0.96 0.06 -1.13 0.09 0.00 0.00 178.44 178.43 3hg4 h ASN 192 N 0.68 -0.11 0.43 -0.43 -0.73 -1.23 -2.44 115.58 111.75 3hg4 h ASN 192 Ca 0.13 0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.41 3hg4 h ASN 192 Cb 0.56 0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.33 3hg4 h ASN 192 CO 0.03 -0.03 0.00 0.54 -0.37 0.00 0.00 177.43 177.60 3hg4 n ARG 193 N -5.18 0.04 0.17 6.67 1.74 -0.83 -1.64 116.66 117.63 3hg4 n ARG 193 Ca 0.07 0.24 0.13 0.00 -0.77 0.00 0.00 57.85 57.52 3hg4 n ARG 193 Cb 0.29 -1.50 0.37 0.00 -1.02 0.00 0.00 32.46 30.60 3hg4 n ARG 193 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3hg4 h THR 194 N 0.00 0.00 0.00 0.55 1.35 -1.47 -3.47 112.91 109.87 3hg4 h THR 194 Ca 0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3hg4 h THR 194 Cb 0.21 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3hg4 h THR 194 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3hg4 n GLY 195 N 0.90 2.83 3.81 5.82 0.00 -0.65 -5.01 105.19 112.89 3hg4 n GLY 195 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3hg4 n GLY 195 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hg4 s ARG 196 N -0.08 4.19 -0.32 1.61 3.52 -1.26 -5.02 118.95 121.59 3hg4 s ARG 196 Ca 0.00 0.70 -0.29 0.00 -0.13 0.00 0.00 55.73 56.01 3hg4 s ARG 196 Cb 0.00 -3.25 -0.01 0.00 -1.56 0.00 0.00 34.95 30.13 3hg4 s ARG 196 CO 0.00 0.61 1.55 -1.12 -0.81 0.00 0.00 175.30 175.53 3hg4 s SER 197 N -0.98 6.29 -0.10 -2.12 0.01 -1.26 -4.82 113.70 110.72 3hg4 s SER 197 Ca 0.29 1.24 -0.00 0.00 1.31 0.00 0.00 55.95 58.78 3hg4 s SER 197 Cb -0.19 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.53 3hg4 s SER 197 CO 0.18 -1.40 -0.07 -0.63 0.41 0.00 0.00 173.24 171.73 3hg4 s ILE 198 N 5.57 0.95 0.06 1.44 1.01 -1.26 -4.65 121.20 124.32 3hg4 s ILE 198 Ca 0.68 -0.27 -0.31 0.00 0.00 0.00 0.00 60.65 60.76 3hg4 s ILE 198 Cb -0.20 -0.97 -0.07 0.00 0.01 0.00 0.00 42.46 41.23 3hg4 s ILE 198 CO 0.31 0.35 1.52 -0.69 0.00 0.00 0.00 174.94 176.42 3hg4 s VAL 199 N 1.53 3.26 -0.34 2.92 1.01 0.25 -4.86 120.40 124.17 3hg4 s VAL 199 Ca 0.01 0.75 -0.08 0.00 0.00 0.00 0.00 61.98 62.66 3hg4 s VAL 199 Cb -0.13 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.79 3hg4 s VAL 199 CO -0.06 0.01 0.14 -0.47 0.00 0.00 0.00 175.10 174.73 3hg4 s TYR 200 N 2.17 3.22 -0.24 5.22 5.04 -1.26 -0.04 117.35 131.46 3hg4 s TYR 200 Ca 0.69 -1.08 -0.06 0.00 -2.44 0.00 0.00 57.07 54.18 3hg4 s TYR 200 Cb -0.37 -2.34 -0.02 0.00 0.35 0.00 0.00 41.96 39.58 3hg4 s TYR 200 CO 0.30 -0.64 0.03 0.45 -1.34 0.00 0.00 175.55 174.35 3hg4 s SER 201 N 1.50 4.84 -0.10 4.32 0.15 0.37 -0.78 113.70 123.99 3hg4 s SER 201 Ca 0.01 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.42 3hg4 s SER 201 Cb -0.19 -1.86 -0.01 0.00 -1.71 0.00 0.00 66.02 62.25 3hg4 s SER 201 CO 0.04 -0.03 -0.18 0.00 1.20 0.00 0.00 173.24 174.28 3hg4 n GLU 203 N 3.22 2.97 -0.13 0.00 4.71 -1.01 -0.40 120.64 130.00 3hg4 n GLU 203 Ca -0.18 -2.03 -0.05 0.00 -0.01 0.00 0.00 57.16 54.89 3hg4 n GLU 203 Cb 0.53 -1.72 0.02 0.00 -1.01 0.00 0.00 31.44 29.25 3hg4 n GLU 203 CO 0.00 0.00 0.00 2.35 0.09 0.00 0.00 177.13 179.57 3hg4 h TRP 204 N 2.90 -0.34 -0.48 -0.32 7.01 -1.82 -2.60 115.95 120.31 3hg4 h TRP 204 Ca 0.00 0.04 -0.08 0.00 2.11 0.00 0.00 58.89 60.96 3hg4 h TRP 204 Cb 1.12 0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 28.37 3hg4 h TRP 204 CO 0.56 -0.23 -0.04 -1.35 -2.79 0.00 0.00 178.44 174.59 3hg4 h PRO 205 N -0.05 0.82 -0.68 2.65 0.11 -1.83 -2.56 132.00 130.45 3hg4 h PRO 205 Ca 0.21 -0.24 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3hg4 h PRO 205 Cb 0.37 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 3hg4 h PRO 205 CO -0.47 0.85 0.42 1.25 -0.21 0.00 0.00 178.00 179.84 3hg4 h LEU 206 N 0.75 0.80 -0.47 2.35 5.85 -1.16 -2.55 115.31 120.88 3hg4 h LEU 206 Ca 0.14 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3hg4 h LEU 206 Cb 0.51 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3hg4 h LEU 206 CO 0.03 0.61 -0.03 -1.22 -0.34 0.00 0.00 178.44 177.49 3hg4 n TYR 207 N -4.58 0.00 -0.02 1.25 4.01 -1.01 -3.25 117.16 113.56 3hg4 n TYR 207 Ca 0.06 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.72 3hg4 n TYR 207 Cb 0.04 -0.04 -0.14 0.00 -0.31 0.00 0.00 39.34 38.90 3hg4 n TYR 207 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 3hg4 n MET 208 N -0.48 0.64 -0.30 -0.72 1.56 -0.98 -4.56 117.12 112.29 3hg4 n MET 208 Ca 0.20 0.25 0.01 0.00 -0.27 0.00 0.00 57.70 57.89 3hg4 n MET 208 Cb 0.25 -1.76 0.08 0.00 2.15 0.00 0.00 33.22 33.94 3hg4 n MET 208 CO 0.00 0.00 0.00 -1.49 -0.73 0.00 0.00 175.97 173.75 3hg4 h TRP 209 N 0.00 -0.63 0.00 1.12 -0.00 -1.45 -0.34 115.95 114.65 3hg4 h TRP 209 Ca -0.30 0.08 0.00 0.00 -0.00 0.00 0.00 58.89 58.67 3hg4 h TRP 209 Cb 1.98 0.40 0.00 0.00 -0.00 0.00 0.00 29.16 31.55 3hg4 h TRP 209 CO 0.00 -0.37 0.07 -1.35 -0.00 0.00 0.00 178.44 176.78 3hg4 h PRO 210 N -0.03 0.00 0.00 0.49 0.11 -1.80 -3.33 132.00 127.44 3hg4 h PRO 210 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3hg4 h PRO 210 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 3hg4 h PRO 210 CO -0.86 0.00 -0.39 1.19 -0.21 0.00 0.00 178.00 177.73 3hg4 n PHE 211 N -2.25 0.00 -3.77 0.65 3.01 -0.19 -5.11 117.46 109.80 3hg4 n PHE 211 Ca -0.01 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.35 3hg4 n PHE 211 Cb 0.10 -0.20 -0.05 0.00 -0.01 0.00 0.00 39.48 39.32 3hg4 n PHE 211 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3hg4 s GLN 212 N -2.07 1.21 0.36 -1.08 -2.07 -0.85 -5.15 119.66 110.00 3hg4 s GLN 212 Ca -0.11 -0.90 -0.28 0.00 -1.82 0.00 0.00 55.36 52.25 3hg4 s GLN 212 Cb 0.02 0.46 -0.10 0.00 -1.09 0.00 0.00 33.01 32.29 3hg4 s GLN 212 CO 0.17 -0.48 1.37 -1.59 -1.32 0.00 0.00 175.29 173.44 3hg4 s LYS 213 N -3.87 4.22 0.46 9.60 0.00 -1.26 -3.97 119.74 124.92 3hg4 s LYS 213 Ca 0.09 2.34 -0.22 0.00 0.00 0.00 0.00 55.97 58.18 3hg4 s LYS 213 Cb 0.01 -3.00 -0.07 0.00 0.00 0.00 0.00 37.83 34.77 3hg4 s LYS 213 CO -0.05 -0.35 1.13 -2.14 0.00 0.00 0.00 175.35 173.94 3hg4 s PRO 214 N -1.95 3.76 -0.47 1.78 0.02 -1.26 -5.01 135.00 131.87 3hg4 s PRO 214 Ca 0.51 1.68 -0.19 0.00 0.02 0.00 0.00 61.00 63.03 3hg4 s PRO 214 Cb -0.42 -2.34 0.04 0.00 0.02 0.00 0.00 34.50 31.80 3hg4 s PRO 214 CO 0.56 -0.53 0.57 1.21 -0.33 0.00 0.00 177.00 178.48 3hg4 s ASN 215 N -1.49 6.24 0.31 2.53 3.84 -1.26 -4.96 114.94 120.14 3hg4 s ASN 215 Ca 0.64 -0.73 0.16 0.00 0.21 0.00 0.00 52.86 53.15 3hg4 s ASN 215 Cb -0.26 -2.27 0.29 0.00 -0.55 0.00 0.00 41.25 38.45 3hg4 s ASN 215 CO 0.31 -0.77 1.55 1.88 -2.79 0.00 0.00 177.10 177.28 3hg4 h TYR 216 N 8.88 0.00 -0.38 0.43 0.05 -1.95 -2.07 116.97 121.94 3hg4 h TYR 216 Ca -0.27 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.51 3hg4 h TYR 216 Cb 1.10 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.82 3hg4 h TYR 216 CO 0.70 0.47 0.23 1.15 -1.05 0.00 0.00 178.16 179.66 3hg4 h THR 217 N 0.00 1.13 -0.06 -2.88 2.02 -1.97 0.56 112.91 111.71 3hg4 h THR 217 Ca -0.00 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 3hg4 h THR 217 Cb 1.22 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3hg4 h THR 217 CO 0.06 0.13 0.03 -0.08 0.37 0.00 0.00 175.52 176.02 3hg4 h GLU 218 N 0.50 0.09 -0.37 6.66 4.81 -1.94 -2.49 114.58 121.83 3hg4 h GLU 218 Ca 0.14 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3hg4 h GLU 218 Cb 0.01 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3hg4 h GLU 218 CO -0.03 0.21 0.23 0.82 -0.73 0.00 0.00 179.01 179.52 3hg4 h ILE 219 N -0.05 1.11 -0.72 2.32 2.04 -1.31 -2.61 117.51 118.30 3hg4 h ILE 219 Ca 0.02 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.74 3hg4 h ILE 219 Cb 0.15 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 3hg4 h ILE 219 CO -0.00 0.11 0.47 -0.09 0.00 0.00 0.00 178.15 178.64 3hg4 h ARG 220 N 0.49 0.61 -0.03 2.37 2.43 -0.88 0.40 114.38 119.77 3hg4 h ARG 220 Ca 0.13 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3hg4 h ARG 220 Cb -0.02 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3hg4 h ARG 220 CO -0.03 0.41 -0.14 0.37 -1.51 0.00 0.00 179.97 179.06 3hg4 h GLN 221 N 0.63 0.05 0.00 0.20 4.15 -1.04 0.38 115.11 119.48 3hg4 h GLN 221 Ca 0.33 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.74 3hg4 h GLN 221 Cb 0.44 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.12 3hg4 h GLN 221 CO -0.11 0.20 -1.38 0.66 -1.93 0.00 0.00 178.83 176.27 3hg4 n TYR 222 N -4.34 0.00 -4.52 3.99 4.01 -0.55 -4.44 117.16 111.30 3hg4 n TYR 222 Ca -0.02 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.48 3hg4 n TYR 222 Cb 0.23 -0.22 -0.14 0.00 -0.31 0.00 0.00 39.34 38.90 3hg4 n TYR 222 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hg4 h ASN 224 N 4.82 0.14 -5.07 0.00 -0.26 -1.12 -1.86 115.58 112.24 3hg4 h ASN 224 Ca -0.41 -0.17 -0.02 0.00 -0.56 0.00 0.00 56.30 55.14 3hg4 h ASN 224 Cb 1.17 -0.05 -0.11 0.00 -1.06 0.00 0.00 38.32 38.27 3hg4 h ASN 224 CO 0.43 1.13 0.04 -1.38 -1.06 0.00 0.00 177.43 176.60 3hg4 s HIS 225 N -2.68 -0.18 -0.08 1.19 -3.43 -1.16 -1.47 115.29 107.48 3hg4 s HIS 225 Ca -0.02 -0.14 -0.06 0.00 -0.80 0.00 0.00 55.06 54.04 3hg4 s HIS 225 Cb 0.09 0.40 0.03 0.00 -1.43 0.00 0.00 32.58 31.67 3hg4 s HIS 225 CO 0.84 -0.89 0.21 1.67 -2.00 0.00 0.00 174.74 174.58 3hg4 s TRP 226 N -3.85 -0.25 -0.13 0.38 -2.14 -0.85 -0.56 118.94 111.54 3hg4 s TRP 226 Ca 0.07 0.62 -0.29 0.00 2.66 0.00 0.00 56.10 59.16 3hg4 s TRP 226 Cb -0.01 0.04 -0.01 0.00 -3.10 0.00 0.00 33.47 30.40 3hg4 s TRP 226 CO -0.05 -0.16 1.04 1.03 -2.66 0.00 0.00 176.95 176.15 3hg4 s ARG 227 N 0.65 4.38 -0.12 3.25 1.81 0.46 0.22 118.95 129.60 3hg4 s ARG 227 Ca -0.04 1.42 0.14 0.00 -1.72 0.00 0.00 55.73 55.53 3hg4 s ARG 227 Cb -0.06 -3.57 -0.24 0.00 -0.45 0.00 0.00 34.95 30.63 3hg4 s ARG 227 CO -0.04 -0.40 0.37 0.09 -0.68 0.00 0.00 175.30 174.64 3hg4 n ASN 228 N 5.33 0.54 -4.35 0.23 5.03 -1.18 -2.45 115.26 118.40 3hg4 n ASN 228 Ca 0.10 0.21 -0.18 0.00 0.87 0.00 0.00 54.58 55.58 3hg4 n ASN 228 Cb 0.48 0.39 -0.10 0.00 -1.02 0.00 0.00 39.78 39.52 3hg4 n ASN 228 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3hg4 s PHE 229 N -2.55 1.64 0.67 3.10 2.99 -1.26 -4.13 117.98 118.44 3hg4 s PHE 229 Ca -0.08 -0.90 -0.17 0.00 0.00 0.00 0.00 56.93 55.78 3hg4 s PHE 229 Cb 0.07 -0.95 -0.04 0.00 0.00 0.00 0.00 43.02 42.09 3hg4 s PHE 229 CO 0.82 0.00 0.67 0.00 -0.00 0.00 0.00 175.22 176.71 3hg4 n ALA 230 N -0.46 -0.95 -1.58 5.36 0.00 -1.26 -4.86 120.51 116.76 3hg4 n ALA 230 Ca -0.05 -0.14 -0.49 0.00 0.00 0.00 0.00 53.44 52.76 3hg4 n ALA 230 Cb 0.64 -1.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.12 3hg4 n ALA 230 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hg4 n ASP 231 N -0.40 1.45 -4.78 0.00 9.92 -1.26 -4.96 116.55 116.52 3hg4 n ASP 231 Ca 0.12 1.14 -0.35 0.00 -0.53 0.00 0.00 54.79 55.17 3hg4 n ASP 231 Cb 0.49 -1.23 -0.00 0.00 -0.64 0.00 0.00 41.12 39.74 3hg4 n ASP 231 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3hg4 s ILE 232 N -0.16 3.27 0.20 0.53 2.07 -1.26 -5.07 121.20 120.78 3hg4 s ILE 232 Ca 0.73 0.79 0.02 0.00 -1.41 0.00 0.00 60.65 60.78 3hg4 s ILE 232 Cb -0.84 -3.31 -0.01 0.00 0.13 0.00 0.00 42.46 38.43 3hg4 s ILE 232 CO 0.52 -0.18 0.07 -0.90 -1.91 0.00 0.00 174.94 172.53 3hg4 n ASP 233 N -1.28 1.18 -3.76 4.50 5.68 -1.26 -4.95 116.55 116.66 3hg4 n ASP 233 Ca 0.11 -2.03 -0.42 0.00 -0.50 0.00 0.00 54.79 51.95 3hg4 n ASP 233 Cb 0.51 0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.96 3hg4 n ASP 233 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3hg4 n ASP 234 N -1.76 5.38 -3.62 -1.12 -0.08 -1.26 -4.81 116.55 109.28 3hg4 n ASP 234 Ca -0.03 -3.03 -0.16 0.00 -1.51 0.00 0.00 54.79 50.06 3hg4 n ASP 234 Cb 0.29 -1.51 -0.07 0.00 2.34 0.00 0.00 41.12 42.18 3hg4 n ASP 234 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3hg4 s SER 235 N 1.35 -0.46 0.19 1.67 1.04 -1.26 -3.99 113.70 112.23 3hg4 s SER 235 Ca 0.44 0.45 -0.08 0.00 0.48 0.00 0.00 55.95 57.24 3hg4 s SER 235 Cb 0.12 0.45 0.10 0.00 0.10 0.00 0.00 66.02 66.79 3hg4 s SER 235 CO -0.03 -0.55 1.67 -0.25 0.98 0.00 0.00 173.24 175.06 3hg4 h TRP 236 N 3.33 1.17 -0.67 5.02 -0.00 -1.90 -2.72 115.95 120.17 3hg4 h TRP 236 Ca -0.28 -0.18 0.14 0.00 -0.00 0.00 0.00 58.89 58.57 3hg4 h TRP 236 Cb 1.16 -0.31 -0.12 0.00 -0.00 0.00 0.00 29.16 29.89 3hg4 h TRP 236 CO 0.44 1.00 -0.03 -0.22 -0.00 0.00 0.00 178.44 179.62 3hg4 h LYS 237 N 1.00 0.08 -0.54 2.65 3.64 -1.95 -0.91 116.57 120.54 3hg4 h LYS 237 Ca 0.19 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 3hg4 h LYS 237 Cb 0.50 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 3hg4 h LYS 237 CO 0.02 0.05 -0.13 1.03 -2.27 0.00 0.00 179.45 178.16 3hg4 h SER 238 N 0.09 1.04 -0.18 4.20 0.87 -1.83 -1.51 113.55 116.23 3hg4 h SER 238 Ca 0.35 -0.36 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3hg4 h SER 238 Cb 0.59 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3hg4 h SER 238 CO -0.61 1.16 0.08 0.40 -0.53 0.00 0.00 176.83 177.33 3hg4 h ILE 239 N 0.92 0.99 -0.20 2.23 1.08 -1.09 -1.86 117.51 119.57 3hg4 h ILE 239 Ca 0.14 -0.06 0.03 0.00 -0.39 0.00 0.00 64.86 64.57 3hg4 h ILE 239 Cb 0.70 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 35.22 3hg4 h ILE 239 CO 0.05 0.03 0.03 0.11 -0.69 0.00 0.00 178.15 177.68 3hg4 h LYS 240 N 0.18 0.10 -0.80 2.37 1.57 -1.03 -0.86 116.57 118.11 3hg4 h LYS 240 Ca 0.07 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3hg4 h LYS 240 Cb 0.02 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3hg4 h LYS 240 CO -0.05 0.07 0.43 0.66 -0.57 0.00 0.00 179.45 179.98 3hg4 h SER 241 N 0.10 0.99 -0.50 0.86 4.64 -1.16 0.17 113.55 118.65 3hg4 h SER 241 Ca 0.09 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 3hg4 h SER 241 Cb 0.10 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 3hg4 h SER 241 CO -0.13 0.80 0.13 0.40 -0.87 0.00 0.00 176.83 177.16 3hg4 h ILE 242 N 1.11 1.24 -0.32 0.95 2.04 -1.01 -0.09 117.51 121.43 3hg4 h ILE 242 Ca 0.28 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 3hg4 h ILE 242 Cb 0.04 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3hg4 h ILE 242 CO -0.04 0.30 0.10 -0.07 0.00 0.00 0.00 178.15 178.44 3hg4 h LEU 243 N 0.69 0.47 -0.93 1.44 3.38 -0.64 -1.50 115.31 118.22 3hg4 h LEU 243 Ca 0.16 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3hg4 h LEU 243 Cb 0.32 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3hg4 h LEU 243 CO 0.00 0.54 -0.16 0.44 0.09 0.00 0.00 178.44 179.35 3hg4 h ASP 244 N 0.36 0.59 -0.59 -0.43 3.32 -0.60 -0.24 116.42 118.84 3hg4 h ASP 244 Ca 0.10 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 3hg4 h ASP 244 Cb 0.24 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3hg4 h ASP 244 CO -0.00 0.77 0.04 -0.50 -1.72 0.00 0.00 179.24 177.83 3hg4 h TRP 245 N 0.54 1.09 0.29 4.55 6.55 -0.92 -0.82 115.95 127.23 3hg4 h TRP 245 Ca 0.09 -0.17 -0.01 0.00 0.95 0.00 0.00 58.89 59.74 3hg4 h TRP 245 Cb 0.59 -0.29 0.00 0.00 -0.86 0.00 0.00 29.16 28.60 3hg4 h TRP 245 CO 0.02 0.96 -0.14 1.15 -1.05 0.00 0.00 178.44 179.38 3hg4 h THR 246 N 0.90 0.73 -0.17 1.49 2.02 -0.92 -1.92 112.91 115.04 3hg4 h THR 246 Ca 0.17 -0.53 -0.07 0.00 0.77 0.00 0.00 66.41 66.75 3hg4 h THR 246 Cb 0.50 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3hg4 h THR 246 CO 0.02 0.11 -0.21 0.77 0.37 0.00 0.00 175.52 176.58 3hg4 h SER 247 N -0.69 0.29 -0.34 4.18 4.64 -1.09 -1.12 113.55 119.41 3hg4 h SER 247 Ca -0.04 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.11 3hg4 h SER 247 Cb 0.48 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3hg4 h SER 247 CO 0.07 0.51 -0.08 0.15 -0.87 0.00 0.00 176.83 176.61 3hg4 h PHE 248 N 0.27 0.83 -0.63 4.77 3.57 -1.15 -3.13 116.94 121.48 3hg4 h PHE 248 Ca 0.05 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.41 3hg4 h PHE 248 Cb 0.53 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3hg4 h PHE 248 CO 0.01 0.81 0.00 0.09 -2.23 0.00 0.00 178.31 177.00 3hg4 n ASN 249 N -4.18 5.28 -0.03 0.41 3.02 -0.73 -4.72 115.26 114.31 3hg4 n ASN 249 Ca 0.02 -2.67 -0.07 0.00 -0.03 0.00 0.00 54.58 51.82 3hg4 n ASN 249 Cb 0.35 -0.64 0.11 0.00 -0.61 0.00 0.00 39.78 39.00 3hg4 n ASN 249 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 3hg4 h GLN 250 N 4.12 0.62 -0.02 3.52 3.07 -1.17 -1.62 115.11 123.63 3hg4 h GLN 250 Ca 0.00 -0.28 0.01 0.00 0.09 0.00 0.00 58.65 58.47 3hg4 h GLN 250 Cb 1.72 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 29.26 3hg4 h GLN 250 CO 0.36 0.86 0.09 0.93 0.09 0.00 0.00 178.83 181.16 3hg4 h GLU 251 N 0.53 0.00 0.01 0.06 5.08 -1.86 -1.39 114.58 117.01 3hg4 h GLU 251 Ca 0.06 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.08 3hg4 h GLU 251 Cb 0.81 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.00 3hg4 h GLU 251 CO 0.07 0.00 -2.12 0.54 -1.00 0.00 0.00 179.01 176.50 3hg4 n ARG 252 N -3.19 0.67 -0.01 2.33 1.74 -0.63 -4.73 116.66 112.84 3hg4 n ARG 252 Ca -0.02 0.14 0.02 0.00 -0.77 0.00 0.00 57.85 57.21 3hg4 n ARG 252 Cb 0.16 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.46 29.90 3hg4 n ARG 252 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3hg4 n ILE 253 N -2.96 0.17 0.02 0.55 -5.35 -1.02 -4.73 119.36 106.03 3hg4 n ILE 253 Ca -0.28 -0.24 -0.12 0.00 -0.27 0.00 0.00 62.75 61.84 3hg4 n ILE 253 Cb 1.10 -0.03 -0.08 0.00 -1.74 0.00 0.00 39.64 38.89 3hg4 n ILE 253 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3hg4 h VAL 254 N 0.00 1.12 0.00 7.28 2.07 -1.53 -3.13 116.25 122.06 3hg4 h VAL 254 Ca -0.07 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3hg4 h VAL 254 Cb 0.73 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3hg4 h VAL 254 CO 0.00 0.09 0.00 0.47 0.02 0.00 0.00 177.57 178.16 3hg4 n ASP 255 N -5.01 0.76 0.17 0.57 8.00 -1.26 -2.85 116.55 116.92 3hg4 n ASP 255 Ca -0.07 0.61 0.05 0.00 0.71 0.00 0.00 54.79 56.09 3hg4 n ASP 255 Cb 0.10 -0.80 0.13 0.00 -0.02 0.00 0.00 41.12 40.52 3hg4 n ASP 255 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3hg4 h VAL 256 N 0.00 0.68 -4.01 2.53 -1.51 -1.83 -3.45 116.25 108.66 3hg4 h VAL 256 Ca 0.00 -1.83 -0.51 0.00 -1.23 0.00 0.00 66.70 63.13 3hg4 h VAL 256 Cb 0.59 2.24 0.07 0.00 -2.13 0.00 0.00 31.29 32.05 3hg4 h VAL 256 CO 0.00 0.37 0.49 0.00 -1.23 0.00 0.00 177.57 177.20 3hg4 s ALA 257 N -3.13 2.95 0.00 5.19 0.00 -1.13 -4.89 121.76 120.74 3hg4 s ALA 257 Ca 0.04 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.95 3hg4 s ALA 257 Cb 0.08 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3hg4 s ALA 257 CO 0.71 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 176.17 3hg4 n GLY 258 N 0.45 1.12 3.65 0.00 0.00 -0.10 -4.63 105.19 105.67 3hg4 n GLY 258 Ca 0.08 -0.96 -0.57 0.00 0.00 0.00 0.00 46.02 44.57 3hg4 n GLY 258 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hg4 n PRO 259 N -0.48 0.87 -0.03 1.61 -0.02 -1.26 -0.84 135.00 134.85 3hg4 n PRO 259 Ca 0.00 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3hg4 n PRO 259 Cb 0.00 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3hg4 n PRO 259 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hg4 n GLY 260 N 3.23 0.56 3.15 -1.23 0.00 0.20 -4.88 105.19 106.23 3hg4 n GLY 260 Ca 0.23 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.30 3hg4 n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hg4 s GLY 261 N -1.86 -0.83 0.11 -0.02 0.00 -0.02 -0.50 107.32 104.21 3hg4 s GLY 261 Ca 0.00 2.09 0.10 0.00 0.00 0.00 0.00 44.72 46.91 3hg4 s GLY 261 CO 0.00 3.49 -0.24 -0.98 0.00 0.00 0.00 173.10 175.37 3hg4 s TRP 262 N 2.88 2.06 0.21 1.90 0.52 -0.54 -0.93 118.94 125.04 3hg4 s TRP 262 Ca 0.15 -0.40 -0.30 0.00 0.02 0.00 0.00 56.10 55.58 3hg4 s TRP 262 Cb -0.14 -1.13 -0.08 0.00 -1.15 0.00 0.00 33.47 30.97 3hg4 s TRP 262 CO -0.18 0.27 1.15 -0.80 0.02 0.00 0.00 176.95 177.41 3hg4 s ASN 263 N -1.94 7.16 -0.34 2.95 0.01 -1.26 -2.02 114.94 119.50 3hg4 s ASN 263 Ca 0.10 2.22 -0.03 0.00 -0.71 0.00 0.00 52.86 54.44 3hg4 s ASN 263 Cb -0.10 -2.61 0.07 0.00 0.41 0.00 0.00 41.25 39.01 3hg4 s ASN 263 CO 0.05 -0.29 0.09 -0.62 -1.51 0.00 0.00 177.10 174.82 3hg4 s ASP 264 N -0.17 5.13 0.00 -1.22 -1.08 0.13 -4.25 116.67 115.20 3hg4 s ASP 264 Ca 0.50 -1.47 0.09 0.00 -0.52 0.00 0.00 52.55 51.15 3hg4 s ASP 264 Cb -0.32 -1.79 0.27 0.00 -1.46 0.00 0.00 42.92 39.62 3hg4 s ASP 264 CO 0.38 -0.37 1.22 -0.81 0.52 0.00 0.00 175.17 176.11 3hg4 n PRO 265 N 4.67 1.61 0.00 4.34 -0.04 -1.26 -3.09 135.00 141.23 3hg4 n PRO 265 Ca -0.10 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 3hg4 n PRO 265 Cb 0.43 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 3hg4 n PRO 265 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3hg4 n ASP 266 N 0.26 0.00 -4.73 3.54 -0.08 -1.26 -4.84 116.55 109.44 3hg4 n ASP 266 Ca 0.09 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 53.01 3hg4 n ASP 266 Cb 0.23 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.76 3hg4 n ASP 266 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3hg4 s MET 267 N -1.20 2.44 -0.00 -0.67 -1.94 -1.26 -4.81 119.30 111.86 3hg4 s MET 267 Ca 0.00 1.95 -0.30 0.00 -1.71 0.00 0.00 55.69 55.62 3hg4 s MET 267 Cb 0.00 -1.85 -0.04 0.00 2.01 0.00 0.00 34.83 34.95 3hg4 s MET 267 CO 0.00 -1.65 1.18 -0.51 -0.01 0.00 0.00 175.02 174.03 3hg4 s LEU 268 N -4.60 4.33 -0.06 -0.03 1.43 0.40 -4.91 118.68 115.23 3hg4 s LEU 268 Ca 0.79 1.88 0.11 0.00 -1.03 0.00 0.00 54.13 55.89 3hg4 s LEU 268 Cb -0.34 -3.57 0.33 0.00 0.03 0.00 0.00 46.19 42.64 3hg4 s LEU 268 CO 0.41 -0.50 1.26 1.33 0.23 0.00 0.00 176.35 179.08 3hg4 n VAL 269 N 4.26 1.42 -1.74 -1.59 0.24 -1.26 -0.80 118.33 118.86 3hg4 n VAL 269 Ca 0.10 -1.33 -0.42 0.00 -2.04 0.00 0.00 64.34 60.65 3hg4 n VAL 269 Cb 0.47 0.24 -0.02 0.00 -1.47 0.00 0.00 33.84 33.06 3hg4 n VAL 269 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3hg4 n ILE 270 N -0.03 1.04 0.00 1.34 5.41 -1.26 -3.00 119.36 122.87 3hg4 n ILE 270 Ca 0.13 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.62 3hg4 n ILE 270 Cb 0.55 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.55 3hg4 n ILE 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hg4 n GLY 271 N 2.12 0.40 0.00 7.39 0.00 -1.26 -4.80 105.19 109.04 3hg4 n GLY 271 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3hg4 n GLY 271 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hg4 n ASN 272 N 0.00 0.00 0.00 1.61 3.02 -1.16 -4.75 115.26 113.98 3hg4 n ASN 272 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3hg4 n ASN 272 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3hg4 n ASN 272 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3hg4 n PHE 273 N 0.00 0.00 1.03 3.10 3.72 -1.26 -4.85 117.46 119.20 3hg4 n PHE 273 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 3hg4 n PHE 273 Cb 0.00 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 3hg4 n PHE 273 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hg4 n GLY 274 N 2.12 -0.42 3.47 1.37 0.00 -1.26 -4.91 105.19 105.57 3hg4 n GLY 274 Ca 0.00 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 3hg4 n GLY 274 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg4 s LEU 275 N -2.67 3.11 0.95 0.99 1.43 -1.26 -4.19 118.68 117.04 3hg4 s LEU 275 Ca 0.15 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 3hg4 s LEU 275 Cb 0.18 -1.73 0.16 0.00 0.03 0.00 0.00 46.19 44.82 3hg4 s LEU 275 CO 0.67 0.19 1.09 -0.94 0.23 0.00 0.00 176.35 177.58 3hg4 s SER 276 N 0.25 2.90 0.23 2.29 1.04 -1.26 -4.75 113.70 114.39 3hg4 s SER 276 Ca -0.04 1.70 -0.07 0.00 0.48 0.00 0.00 55.95 58.02 3hg4 s SER 276 Cb -0.14 -2.33 0.33 0.00 0.10 0.00 0.00 66.02 63.98 3hg4 s SER 276 CO 0.04 -3.03 1.79 -0.25 0.98 0.00 0.00 173.24 172.76 3hg4 h TRP 277 N -1.82 0.66 -0.58 5.02 2.91 -1.99 -0.74 115.95 119.41 3hg4 h TRP 277 Ca -0.50 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 59.50 3hg4 h TRP 277 Cb 1.29 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 29.72 3hg4 h TRP 277 CO 0.42 0.25 0.15 -0.91 -1.03 0.00 0.00 178.44 177.33 3hg4 h ASN 278 N 0.63 0.82 -0.47 2.65 2.35 -1.92 -1.18 115.58 118.47 3hg4 h ASN 278 Ca 0.35 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.83 3hg4 h ASN 278 Cb 0.34 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 3hg4 h ASN 278 CO -0.26 0.80 -0.15 1.56 -1.65 0.00 0.00 177.43 177.73 3hg4 h GLN 279 N 0.85 0.97 -0.64 0.81 4.20 -1.49 -0.96 115.11 118.84 3hg4 h GLN 279 Ca 0.19 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 3hg4 h GLN 279 Cb 0.29 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3hg4 h GLN 279 CO -0.00 1.04 0.32 1.96 -0.67 0.00 0.00 178.83 181.48 3hg4 h GLN 280 N 0.85 0.92 -0.53 1.46 4.20 -0.89 -1.67 115.11 119.45 3hg4 h GLN 280 Ca 0.13 -0.13 0.04 0.00 0.06 0.00 0.00 58.65 58.75 3hg4 h GLN 280 Cb 0.71 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 3hg4 h GLN 280 CO 0.05 0.73 0.29 0.28 -0.67 0.00 0.00 178.83 179.51 3hg4 h VAL 281 N 0.88 0.99 -0.52 -0.54 2.07 -1.05 -1.92 116.25 116.17 3hg4 h VAL 281 Ca 0.22 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.61 3hg4 h VAL 281 Cb 0.10 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 3hg4 h VAL 281 CO -0.03 0.10 0.21 0.74 0.02 0.00 0.00 177.57 178.61 3hg4 h THR 282 N 0.56 0.86 -0.13 2.57 2.02 -0.76 -0.79 112.91 117.24 3hg4 h THR 282 Ca 0.23 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3hg4 h THR 282 Cb 0.11 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3hg4 h THR 282 CO -0.14 0.07 0.04 -0.61 0.37 0.00 0.00 175.52 175.25 3hg4 h GLN 283 N 0.41 0.21 -0.18 6.66 4.15 -1.05 -1.54 115.11 123.77 3hg4 h GLN 283 Ca 0.25 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.64 3hg4 h GLN 283 Cb 0.24 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 3hg4 h GLN 283 CO -0.23 0.35 0.06 1.98 -1.93 0.00 0.00 178.83 179.07 3hg4 h MET 284 N 0.02 0.14 -0.20 1.69 4.05 -1.15 -1.05 114.93 118.43 3hg4 h MET 284 Ca 0.04 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.48 3hg4 h MET 284 Cb 0.24 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.98 3hg4 h MET 284 CO -0.00 0.09 0.04 0.00 0.23 0.00 0.00 176.91 177.27 3hg4 h ALA 285 N 1.12 0.21 0.00 0.39 0.00 -1.10 -2.51 119.26 117.37 3hg4 h ALA 285 Ca 0.08 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 3hg4 h ALA 285 Cb 0.05 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hg4 h ALA 285 CO -0.09 -0.39 -0.85 -0.07 0.00 0.00 0.00 179.25 177.85 3hg4 h LEU 286 N 0.12 0.15 -1.46 0.00 -0.00 -1.17 -1.53 115.31 111.42 3hg4 h LEU 286 Ca 0.09 -0.12 -0.06 0.00 -0.00 0.00 0.00 57.88 57.79 3hg4 h LEU 286 Cb 0.08 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 3hg4 h LEU 286 CO -0.12 0.93 -0.27 -0.50 -0.00 0.00 0.00 178.44 178.48 3hg4 h TRP 287 N 0.06 0.00 -0.19 1.13 -0.00 -1.16 0.09 115.95 115.88 3hg4 h TRP 287 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 58.89 58.77 3hg4 h TRP 287 Cb 1.48 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 30.64 3hg4 h TRP 287 CO 0.02 0.27 -0.24 0.00 -0.00 0.00 0.00 178.44 178.49 3hg4 h ALA 288 N 1.73 0.28 -0.98 1.49 0.00 -0.99 -2.16 119.26 118.64 3hg4 h ALA 288 Ca -0.00 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.56 3hg4 h ALA 288 Cb 0.52 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3hg4 h ALA 288 CO 0.04 0.25 0.64 0.82 0.00 0.00 0.00 179.25 181.00 3hg4 h ILE 289 N 0.16 1.19 -0.06 0.00 1.08 -0.85 -2.87 117.51 116.15 3hg4 h ILE 289 Ca 0.02 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 3hg4 h ILE 289 Cb 0.80 -0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.38 3hg4 h ILE 289 CO 0.06 0.23 0.00 0.23 -0.69 0.00 0.00 178.15 177.98 3hg4 n MET 290 N -4.43 1.26 -4.02 2.37 2.81 -0.02 -0.39 117.12 114.71 3hg4 n MET 290 Ca 0.13 -0.39 -0.28 0.00 -1.81 0.00 0.00 57.70 55.34 3hg4 n MET 290 Cb 0.08 -1.31 -0.02 0.00 -0.71 0.00 0.00 33.22 31.26 3hg4 n MET 290 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hg4 n ALA 291 N -0.37 -1.80 -2.04 3.04 0.00 -1.08 -4.68 120.51 113.58 3hg4 n ALA 291 Ca 0.14 -0.19 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 3hg4 n ALA 291 Cb 0.15 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 17.47 3hg4 n ALA 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hg4 s ALA 292 N -3.79 3.33 0.49 0.00 0.00 -0.82 -4.65 121.76 116.33 3hg4 s ALA 292 Ca 0.20 0.21 -0.23 0.00 0.00 0.00 0.00 51.96 52.15 3hg4 s ALA 292 Cb -0.11 -2.89 -0.07 0.00 0.00 0.00 0.00 23.12 20.05 3hg4 s ALA 292 CO 0.90 0.29 1.32 -2.30 0.00 0.00 0.00 175.76 175.97 3hg4 n PRO 293 N 0.37 1.83 -3.71 0.00 -0.02 -1.26 -4.78 135.00 127.43 3hg4 n PRO 293 Ca 0.00 0.66 -0.36 0.00 -2.02 0.00 0.00 63.50 61.79 3hg4 n PRO 293 Cb 0.52 -2.50 -0.09 0.00 -0.02 0.00 0.00 33.50 31.40 3hg4 n PRO 293 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hg4 s LEU 294 N -2.65 5.28 -0.45 2.45 1.43 0.48 -4.89 118.68 120.32 3hg4 s LEU 294 Ca 0.66 -3.08 -0.12 0.00 -1.03 0.00 0.00 54.13 50.56 3hg4 s LEU 294 Cb -0.45 -1.86 0.08 0.00 0.03 0.00 0.00 46.19 43.99 3hg4 s LEU 294 CO 0.53 -0.32 0.33 -0.36 0.23 0.00 0.00 176.35 176.77 3hg4 s PHE 295 N -0.39 3.29 0.27 0.29 0.40 -1.26 -0.96 117.98 119.63 3hg4 s PHE 295 Ca 0.19 -1.26 -0.30 0.00 -0.60 0.00 0.00 56.93 54.97 3hg4 s PHE 295 Cb -0.17 -3.10 -0.10 0.00 0.51 0.00 0.00 43.02 40.16 3hg4 s PHE 295 CO -0.05 -0.83 1.39 -1.64 0.70 0.00 0.00 175.22 174.78 3hg4 s MET 296 N 1.53 4.30 -0.37 0.44 -1.94 -0.38 -0.46 119.30 122.43 3hg4 s MET 296 Ca 0.04 2.26 0.02 0.00 -1.71 0.00 0.00 55.69 56.29 3hg4 s MET 296 Cb -0.24 -3.10 0.11 0.00 2.01 0.00 0.00 34.83 33.61 3hg4 s MET 296 CO 0.04 -0.34 0.13 0.45 -0.01 0.00 0.00 175.02 175.29 3hg4 s SER 297 N 0.10 4.19 0.34 3.03 0.15 0.02 -0.40 113.70 121.12 3hg4 s SER 297 Ca 0.56 -2.13 -0.11 0.00 0.70 0.00 0.00 55.95 54.97 3hg4 s SER 297 Cb -0.41 -1.19 0.05 0.00 -1.71 0.00 0.00 66.02 62.76 3hg4 s SER 297 CO 0.46 -0.36 0.65 -0.46 1.20 0.00 0.00 173.24 174.74 3hg4 n ASN 298 N 4.24 -1.89 -4.25 5.45 0.23 -1.26 -4.40 115.26 113.38 3hg4 n ASN 298 Ca 0.03 -2.40 -0.39 0.00 -0.53 0.00 0.00 54.58 51.29 3hg4 n ASN 298 Cb 0.39 3.17 -0.10 0.00 -2.08 0.00 0.00 39.78 41.16 3hg4 n ASN 298 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3hg4 s ASP 299 N -2.79 5.54 0.47 0.53 -1.08 -1.26 -4.94 116.67 113.14 3hg4 s ASP 299 Ca 0.15 -1.52 0.32 0.00 -0.52 0.00 0.00 52.55 50.98 3hg4 s ASP 299 Cb -0.04 -1.95 1.63 0.00 -1.46 0.00 0.00 42.92 41.10 3hg4 s ASP 299 CO 0.11 -0.51 1.97 -0.07 0.52 0.00 0.00 175.17 177.19 3hg4 h LEU 300 N 8.34 0.00 -0.12 -1.34 3.38 -1.97 -1.39 115.31 122.20 3hg4 h LEU 300 Ca -0.22 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 3hg4 h LEU 300 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3hg4 h LEU 300 CO 0.73 0.00 -0.47 0.03 0.09 0.00 0.00 178.44 178.82 3hg4 h ARG 301 N 0.00 0.00 -2.77 1.13 3.08 -1.95 -3.41 114.38 110.46 3hg4 h ARG 301 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 3hg4 h ARG 301 Cb 0.11 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.77 3hg4 h ARG 301 CO 0.00 0.47 -0.80 -1.01 -1.07 0.00 0.00 179.97 177.56 3hg4 s HIS 302 N -3.04 1.25 -0.12 3.04 3.76 -0.52 -5.10 115.29 114.55 3hg4 s HIS 302 Ca 0.04 -1.94 -0.09 0.00 -0.15 0.00 0.00 55.06 52.91 3hg4 s HIS 302 Cb 0.08 -1.33 0.04 0.00 1.11 0.00 0.00 32.58 32.48 3hg4 s HIS 302 CO 0.73 -0.81 0.31 -1.50 -0.85 0.00 0.00 174.74 172.62 3hg4 s ILE 303 N 0.80 -0.01 0.58 0.60 2.07 -1.24 -4.56 121.20 119.43 3hg4 s ILE 303 Ca 0.18 0.04 -0.18 0.00 -1.41 0.00 0.00 60.65 59.28 3hg4 s ILE 303 Cb -0.23 -0.45 -0.04 0.00 0.13 0.00 0.00 42.46 41.87 3hg4 s ILE 303 CO -0.00 0.02 1.12 -0.94 -1.91 0.00 0.00 174.94 173.23 3hg4 s SER 304 N 0.57 5.54 0.42 4.50 1.04 -1.26 -4.88 113.70 119.63 3hg4 s SER 304 Ca -0.03 2.10 0.11 0.00 0.48 0.00 0.00 55.95 58.61 3hg4 s SER 304 Cb -0.05 -2.57 0.97 0.00 0.10 0.00 0.00 66.02 64.47 3hg4 s SER 304 CO -0.03 -1.34 2.00 -0.65 0.98 0.00 0.00 173.24 174.20 3hg4 h PRO 305 N 0.80 0.45 -0.14 4.02 0.11 -2.01 -1.83 132.00 133.39 3hg4 h PRO 305 Ca -0.49 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3hg4 h PRO 305 Cb 1.25 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hg4 h PRO 305 CO 0.56 0.30 -0.05 1.96 -0.21 0.00 0.00 178.00 180.56 3hg4 h GLN 306 N 0.47 0.28 -0.79 1.05 7.50 -1.99 -0.87 115.11 120.76 3hg4 h GLN 306 Ca 0.24 -0.11 -0.04 0.00 0.50 0.00 0.00 58.65 59.24 3hg4 h GLN 306 Cb 0.34 -0.01 -0.04 0.00 0.05 0.00 0.00 27.48 27.83 3hg4 h GLN 306 CO -0.07 0.58 0.35 0.00 -1.50 0.00 0.00 178.83 178.20 3hg4 h ALA 307 N 0.69 1.02 0.01 3.87 0.00 -1.89 -1.58 119.26 121.38 3hg4 h ALA 307 Ca 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hg4 h ALA 307 Cb 0.49 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hg4 h ALA 307 CO 0.02 0.62 -0.01 -0.22 0.00 0.00 0.00 179.25 179.66 3hg4 h LYS 308 N 1.13 -0.02 -0.83 0.00 3.64 -1.30 -1.13 116.57 118.08 3hg4 h LYS 308 Ca 0.27 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.73 3hg4 h LYS 308 Cb 0.17 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 3hg4 h LYS 308 CO -0.03 0.13 0.49 0.00 -2.27 0.00 0.00 179.45 177.77 3hg4 h ALA 309 N 0.82 1.17 -0.13 5.00 0.00 -1.03 -0.78 119.26 124.30 3hg4 h ALA 309 Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hg4 h ALA 309 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hg4 h ALA 309 CO 0.00 0.16 0.05 1.25 0.00 0.00 0.00 179.25 180.71 3hg4 h LEU 310 N 0.85 0.19 -1.54 0.00 5.85 -1.16 -2.13 115.31 117.37 3hg4 h LEU 310 Ca 0.38 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 3hg4 h LEU 310 Cb 0.28 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3hg4 h LEU 310 CO -0.22 0.31 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.91 3hg4 h LEU 311 N 0.05 0.00 -2.97 2.25 3.38 -0.71 -2.39 115.31 114.91 3hg4 h LEU 311 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hg4 h LEU 311 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hg4 h LEU 311 CO -0.00 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.74 3hg4 n GLN 312 N -3.71 3.24 -1.72 1.13 6.02 -0.34 -4.96 117.38 117.03 3hg4 n GLN 312 Ca -0.01 -2.71 -0.41 0.00 -0.01 0.00 0.00 57.00 53.85 3hg4 n GLN 312 Cb 0.33 -1.70 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 3hg4 n GLN 312 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hg4 s ASP 313 N -1.00 5.29 0.31 1.08 -1.08 -0.81 -4.86 116.67 115.61 3hg4 s ASP 313 Ca 0.47 1.43 -0.00 0.00 -0.52 0.00 0.00 52.55 53.92 3hg4 s ASP 313 Cb 0.28 -2.51 0.50 0.00 -1.46 0.00 0.00 42.92 39.73 3hg4 s ASP 313 CO 0.26 -2.16 1.96 0.07 0.52 0.00 0.00 175.17 175.82 3hg4 h LYS 314 N 15.65 0.96 -0.21 4.34 2.10 -1.91 0.01 116.57 137.51 3hg4 h LYS 314 Ca -0.34 -0.08 -0.20 0.00 -2.00 0.00 0.00 60.65 58.04 3hg4 h LYS 314 Cb 1.22 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 3hg4 h LYS 314 CO 1.05 0.67 -0.65 -0.44 -2.00 0.00 0.00 179.45 178.07 3hg4 h ASP 315 N 0.98 0.90 -0.15 7.07 3.32 -1.99 -0.40 116.42 126.16 3hg4 h ASP 315 Ca 0.26 -0.53 -0.10 0.00 0.02 0.00 0.00 57.03 56.69 3hg4 h ASP 315 Cb -0.06 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.23 3hg4 h ASP 315 CO -0.05 1.31 -0.29 0.58 -1.72 0.00 0.00 179.24 179.08 3hg4 h VAL 316 N 0.57 1.36 -0.78 -1.35 2.07 -1.89 -2.71 116.25 113.52 3hg4 h VAL 316 Ca -0.01 -1.54 0.08 0.00 0.82 0.00 0.00 66.70 66.04 3hg4 h VAL 316 Cb 1.26 1.99 -0.06 0.00 -1.52 0.00 0.00 31.29 32.95 3hg4 h VAL 316 CO 0.14 0.46 0.45 0.40 0.02 0.00 0.00 177.57 179.03 3hg4 h ILE 317 N 0.07 0.95 -0.70 4.57 2.04 -1.03 -1.96 117.51 121.45 3hg4 h ILE 317 Ca 0.01 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.66 3hg4 h ILE 317 Cb 0.88 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3hg4 h ILE 317 CO 0.06 0.14 0.46 0.00 0.00 0.00 0.00 178.15 178.82 3hg4 h ALA 318 N 1.41 1.72 -0.06 1.87 0.00 -0.98 0.88 119.26 124.11 3hg4 h ALA 318 Ca 0.36 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3hg4 h ALA 318 Cb 0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hg4 h ALA 318 CO -0.21 0.17 0.00 0.82 0.00 0.00 0.00 179.25 180.02 3hg4 h ILE 319 N 0.72 1.24 -0.99 0.00 2.04 -1.04 -1.96 117.51 117.52 3hg4 h ILE 319 Ca 0.30 -0.75 0.11 0.00 1.00 0.00 0.00 64.86 65.52 3hg4 h ILE 319 Cb 0.26 1.64 -0.08 0.00 -0.74 0.00 0.00 36.82 37.90 3hg4 h ILE 319 CO -0.10 0.21 0.63 -1.13 0.00 0.00 0.00 178.15 177.76 3hg4 h ASN 320 N -0.19 0.93 -0.46 1.72 -0.73 -0.90 -2.55 115.58 113.40 3hg4 h ASN 320 Ca 0.02 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.22 3hg4 h ASN 320 Cb 0.32 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.76 3hg4 h ASN 320 CO 0.00 0.52 0.00 0.00 -0.37 0.00 0.00 177.43 177.58 3hg4 n GLN 321 N -4.58 2.87 -1.66 6.67 1.13 0.24 -4.56 117.38 117.48 3hg4 n GLN 321 Ca 0.18 -2.00 -0.47 0.00 -1.94 0.00 0.00 57.00 52.77 3hg4 n GLN 321 Cb 0.32 -1.68 -0.04 0.00 0.11 0.00 0.00 30.24 28.95 3hg4 n GLN 321 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3hg4 n ASP 322 N 0.75 3.02 0.21 1.08 2.03 -0.75 -4.86 116.55 118.03 3hg4 n ASP 322 Ca 0.18 1.07 0.10 0.00 0.52 0.00 0.00 54.79 56.66 3hg4 n ASP 322 Cb 0.64 -1.40 0.64 0.00 -0.72 0.00 0.00 41.12 40.29 3hg4 n ASP 322 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hg4 h PRO 323 N 6.26 0.02 -0.85 -0.67 0.13 -1.92 -2.28 132.00 132.69 3hg4 h PRO 323 Ca -0.46 -0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.77 3hg4 h PRO 323 Cb 1.26 -0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 3hg4 h PRO 323 CO 0.89 0.01 0.55 1.25 -0.23 0.00 0.00 178.00 180.47 3hg4 h LEU 324 N 0.02 0.74 0.17 1.56 6.46 -1.94 -3.47 115.31 118.85 3hg4 h LEU 324 Ca 0.04 0.02 -0.33 0.00 -0.12 0.00 0.00 57.88 57.50 3hg4 h LEU 324 Cb 0.16 -0.13 0.07 0.00 -0.73 0.00 0.00 40.66 40.02 3hg4 h LEU 324 CO -0.00 0.44 -0.51 0.61 -0.62 0.00 0.00 178.44 178.35 3hg4 n GLY 325 N -1.42 -0.28 3.54 3.75 0.00 -0.86 -4.72 105.19 105.21 3hg4 n GLY 325 Ca 0.14 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3hg4 n GLY 325 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hg4 s LYS 326 N -5.67 3.64 0.38 1.61 2.47 -1.26 -3.74 119.74 117.17 3hg4 s LYS 326 Ca 0.32 -0.54 -0.27 0.00 -1.56 0.00 0.00 55.97 53.93 3hg4 s LYS 326 Cb -0.14 -3.74 -0.09 0.00 -1.46 0.00 0.00 37.83 32.39 3hg4 s LYS 326 CO 0.40 -0.35 1.32 -1.14 0.16 0.00 0.00 175.35 175.74 3hg4 s GLN 327 N 1.73 4.08 0.25 4.03 0.74 -1.26 -4.59 119.66 124.64 3hg4 s GLN 327 Ca 0.06 2.22 -0.04 0.00 0.05 0.00 0.00 55.36 57.65 3hg4 s GLN 327 Cb -0.17 -2.86 0.06 0.00 1.10 0.00 0.00 33.01 31.14 3hg4 s GLN 327 CO 0.10 -0.42 0.34 0.41 -0.55 0.00 0.00 175.29 175.17 3hg4 n GLY 328 N 0.68 -0.89 3.68 2.59 0.00 0.48 -4.79 105.19 106.94 3hg4 n GLY 328 Ca 0.02 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 3hg4 n GLY 328 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hg4 s TYR 329 N -1.58 -0.32 -0.24 1.61 -0.85 -0.55 -4.79 117.35 110.62 3hg4 s TYR 329 Ca 0.20 -0.03 -0.27 0.00 -0.52 0.00 0.00 57.07 56.45 3hg4 s TYR 329 Cb -0.01 0.64 0.00 0.00 0.38 0.00 0.00 41.96 42.98 3hg4 s TYR 329 CO 0.14 -1.05 0.95 -1.14 -1.52 0.00 0.00 175.55 172.93 3hg4 s GLN 330 N -3.79 4.23 -0.12 -3.49 0.74 -1.26 -1.50 119.66 114.46 3hg4 s GLN 330 Ca 0.07 1.18 -0.17 0.00 0.05 0.00 0.00 55.36 56.49 3hg4 s GLN 330 Cb -0.04 -3.64 -0.26 0.00 1.10 0.00 0.00 33.01 30.17 3hg4 s GLN 330 CO -0.01 -0.58 0.50 1.25 -0.55 0.00 0.00 175.29 175.89 3hg4 h LEU 331 N 9.34 0.29 -7.85 3.68 5.85 -0.24 -3.48 115.31 122.90 3hg4 h LEU 331 Ca -0.21 -0.81 -0.14 0.00 0.84 0.00 0.00 57.88 57.56 3hg4 h LEU 331 Cb 1.07 -0.10 -0.20 0.00 0.37 0.00 0.00 40.66 41.81 3hg4 h LEU 331 CO 0.93 1.57 -0.54 -0.13 -0.34 0.00 0.00 178.44 179.93 3hg4 s ARG 332 N -2.45 0.49 -0.20 1.25 0.52 -0.84 -4.99 118.95 112.73 3hg4 s ARG 332 Ca -0.21 -0.56 -0.11 0.00 -0.52 0.00 0.00 55.73 54.32 3hg4 s ARG 332 Cb 0.04 0.19 0.07 0.00 0.52 0.00 0.00 34.95 35.77 3hg4 s ARG 332 CO 0.73 -0.11 0.49 -1.14 0.02 0.00 0.00 175.30 175.29 3hg4 s GLN 333 N -1.82 0.48 0.00 3.54 0.74 -1.26 -0.94 119.66 120.40 3hg4 s GLN 333 Ca -0.12 0.93 0.00 0.00 0.05 0.00 0.00 55.36 56.22 3hg4 s GLN 333 Cb -0.06 0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.09 3hg4 s GLN 333 CO -0.01 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 174.98 3hg4 n GLY 334 N 4.32 3.16 3.76 2.59 0.00 -0.84 -5.01 105.19 113.17 3hg4 n GLY 334 Ca -0.22 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 3hg4 n GLY 334 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hg4 n ASP 335 N 0.00 -3.72 -3.14 1.61 2.03 -1.26 -1.66 116.55 110.40 3hg4 n ASP 335 Ca 0.00 -0.74 -0.21 0.00 0.52 0.00 0.00 54.79 54.36 3hg4 n ASP 335 Cb 0.00 -4.23 0.00 0.00 -0.72 0.00 0.00 41.12 36.17 3hg4 n ASP 335 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3hg4 n ASN 336 N -2.96 -4.18 -4.38 1.67 3.02 -1.26 -4.91 115.26 102.25 3hg4 n ASN 336 Ca -0.10 -0.27 -0.28 0.00 -0.03 0.00 0.00 54.58 53.91 3hg4 n ASN 336 Cb 0.59 -3.46 -0.13 0.00 -0.61 0.00 0.00 39.78 36.18 3hg4 n ASN 336 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3hg4 s PHE 337 N -2.92 2.25 -0.02 3.10 0.40 -0.67 -0.05 117.98 120.07 3hg4 s PHE 337 Ca 0.31 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 56.29 3hg4 s PHE 337 Cb -0.16 -1.20 -0.00 0.00 0.51 0.00 0.00 43.02 42.17 3hg4 s PHE 337 CO 0.38 0.35 -0.11 -1.21 0.70 0.00 0.00 175.22 175.34 3hg4 s GLU 338 N -2.17 1.04 -0.21 0.44 2.02 -0.07 -1.98 118.70 117.77 3hg4 s GLU 338 Ca 0.14 -0.38 -0.02 0.00 0.02 0.00 0.00 54.97 54.74 3hg4 s GLU 338 Cb -0.10 -0.97 0.01 0.00 0.10 0.00 0.00 34.13 33.17 3hg4 s GLU 338 CO 0.06 0.18 -0.09 0.08 0.02 0.00 0.00 175.26 175.51 3hg4 s VAL 339 N -0.00 2.86 0.14 2.63 1.01 -0.12 -0.33 120.40 126.60 3hg4 s VAL 339 Ca -0.00 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.30 3hg4 s VAL 339 Cb -0.07 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 3hg4 s VAL 339 CO 0.00 0.40 -0.08 0.26 0.00 0.00 0.00 175.10 175.69 3hg4 s TRP 340 N 1.39 2.73 0.04 5.22 0.52 0.78 0.55 118.94 130.17 3hg4 s TRP 340 Ca 0.04 -0.17 -0.06 0.00 0.02 0.00 0.00 56.10 55.94 3hg4 s TRP 340 Cb -0.14 -1.38 -0.01 0.00 -1.15 0.00 0.00 33.47 30.79 3hg4 s TRP 340 CO -0.06 0.47 0.10 -1.83 0.02 0.00 0.00 176.95 175.64 3hg4 s GLU 341 N -2.53 0.58 -0.05 4.98 -1.05 -0.56 -0.22 118.70 119.84 3hg4 s GLU 341 Ca 0.24 -0.73 0.01 0.00 -0.15 0.00 0.00 54.97 54.33 3hg4 s GLU 341 Cb -0.10 0.23 0.02 0.00 -0.44 0.00 0.00 34.13 33.84 3hg4 s GLU 341 CO 0.15 -0.14 -0.04 0.50 0.95 0.00 0.00 175.26 176.68 3hg4 s ARG 342 N -2.52 0.78 0.17 -4.83 3.52 0.17 -1.49 118.95 114.75 3hg4 s ARG 342 Ca -0.06 -0.07 -0.30 0.00 -0.13 0.00 0.00 55.73 55.18 3hg4 s ARG 342 Cb -0.02 -0.85 -0.08 0.00 -1.56 0.00 0.00 34.95 32.44 3hg4 s ARG 342 CO -0.04 -0.12 1.23 -1.25 -0.81 0.00 0.00 175.30 174.31 3hg4 s PRO 343 N 1.09 4.45 0.37 5.12 0.04 -1.26 -1.36 135.00 143.45 3hg4 s PRO 343 Ca -0.08 1.91 0.08 0.00 0.04 0.00 0.00 61.00 62.95 3hg4 s PRO 343 Cb -0.14 -3.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.11 3hg4 s PRO 343 CO -0.01 -0.16 0.06 -0.51 0.04 0.00 0.00 177.00 176.43 3hg4 s LEU 344 N -0.04 3.02 0.48 -3.56 1.43 0.95 -4.61 118.68 116.36 3hg4 s LEU 344 Ca 0.55 -1.04 -0.24 0.00 -1.03 0.00 0.00 54.13 52.37 3hg4 s LEU 344 Cb -0.33 -1.34 -0.08 0.00 0.03 0.00 0.00 46.19 44.46 3hg4 s LEU 344 CO 0.36 -0.34 1.27 -0.24 0.23 0.00 0.00 176.35 177.63 3hg4 n SER 345 N -1.04 2.41 -2.48 2.29 2.88 -1.26 -3.46 113.62 112.96 3hg4 n SER 345 Ca -0.03 1.03 -0.16 0.00 -1.33 0.00 0.00 58.87 58.38 3hg4 n SER 345 Cb 0.63 -1.51 0.04 0.00 -0.75 0.00 0.00 64.21 62.62 3hg4 n SER 345 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hg4 n GLY 346 N 0.84 -0.13 2.41 0.46 0.00 -1.26 -3.38 105.19 104.13 3hg4 n GLY 346 Ca 0.08 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 3hg4 n GLY 346 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hg4 n LEU 347 N -3.37 -1.54 -4.95 0.99 4.77 -1.23 -4.76 117.00 106.92 3hg4 n LEU 347 Ca -0.03 0.19 -0.23 0.00 -0.03 0.00 0.00 56.01 55.91 3hg4 n LEU 347 Cb 0.56 -2.49 -0.02 0.00 -2.33 0.00 0.00 43.42 39.14 3hg4 n LEU 347 CO 0.41 -0.52 0.03 0.00 -1.33 0.00 0.00 177.39 175.97 3hg4 s ALA 348 N -2.76 3.85 0.01 -1.18 0.00 -1.22 -3.77 121.76 116.69 3hg4 s ALA 348 Ca 0.00 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.91 3hg4 s ALA 348 Cb 0.00 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.23 3hg4 s ALA 348 CO 0.00 0.22 -0.05 -1.58 0.00 0.00 0.00 175.76 174.35 3hg4 s TRP 349 N -2.04 0.41 -0.13 0.00 0.51 -0.36 -0.03 118.94 117.30 3hg4 s TRP 349 Ca 0.36 -0.22 -0.06 0.00 -2.12 0.00 0.00 56.10 54.06 3hg4 s TRP 349 Cb -0.10 -0.26 -0.04 0.00 -0.81 0.00 0.00 33.47 32.27 3hg4 s TRP 349 CO 0.31 -0.04 0.10 0.00 -0.51 0.00 0.00 176.95 176.80 3hg4 s ALA 350 N -0.55 3.67 -0.07 0.98 0.00 -0.46 0.43 121.76 125.76 3hg4 s ALA 350 Ca -0.03 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.26 3hg4 s ALA 350 Cb -0.04 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.22 3hg4 s ALA 350 CO -0.00 0.52 -0.14 0.08 0.00 0.00 0.00 175.76 176.21 3hg4 s VAL 351 N -0.69 1.29 -0.11 0.00 1.01 -0.03 -0.65 120.40 121.21 3hg4 s VAL 351 Ca 0.12 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.56 3hg4 s VAL 351 Cb -0.12 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 3hg4 s VAL 351 CO 0.03 0.39 -0.21 0.00 0.00 0.00 0.00 175.10 175.30 3hg4 s ALA 352 N 0.57 2.28 -0.22 5.51 0.00 0.69 -0.33 121.76 130.27 3hg4 s ALA 352 Ca -0.15 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.81 3hg4 s ALA 352 Cb -0.16 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.03 3hg4 s ALA 352 CO 0.04 0.21 -0.08 -1.64 0.00 0.00 0.00 175.76 174.29 3hg4 s MET 353 N 0.45 3.16 -0.13 0.00 -1.94 0.17 -0.15 119.30 120.85 3hg4 s MET 353 Ca -0.15 -0.75 -0.04 0.00 -1.71 0.00 0.00 55.69 53.04 3hg4 s MET 353 Cb -0.17 -2.90 -0.03 0.00 2.01 0.00 0.00 34.83 33.73 3hg4 s MET 353 CO 0.06 -0.25 0.00 0.42 -0.01 0.00 0.00 175.02 175.24 3hg4 s ILE 354 N 1.40 4.27 -0.39 2.53 1.01 0.55 -1.14 121.20 129.43 3hg4 s ILE 354 Ca 0.04 -0.24 -0.14 0.00 0.00 0.00 0.00 60.65 60.32 3hg4 s ILE 354 Cb -0.14 -2.85 0.01 0.00 0.01 0.00 0.00 42.46 39.48 3hg4 s ILE 354 CO -0.06 0.53 0.28 0.21 0.00 0.00 0.00 174.94 175.90 3hg4 s ASN 355 N -0.12 6.06 0.00 3.58 2.47 -1.00 -0.90 114.94 125.04 3hg4 s ASN 355 Ca 0.04 -0.79 0.25 0.00 0.42 0.00 0.00 52.86 52.79 3hg4 s ASN 355 Cb -0.13 -2.14 0.54 0.00 -1.45 0.00 0.00 41.25 38.07 3hg4 s ASN 355 CO 0.02 -0.39 1.45 0.54 -3.72 0.00 0.00 177.10 175.00 3hg4 n ARG 356 N 5.13 2.07 -2.59 0.43 5.12 0.93 -0.54 116.66 127.22 3hg4 n ARG 356 Ca -0.11 -1.56 -0.42 0.00 -1.93 0.00 0.00 57.85 53.82 3hg4 n ARG 356 Cb 0.48 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.28 3hg4 n ARG 356 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3hg4 s GLN 357 N -1.97 4.38 -0.51 5.56 0.74 -1.23 -4.85 119.66 121.78 3hg4 s GLN 357 Ca 0.32 1.51 0.02 0.00 0.05 0.00 0.00 55.36 57.27 3hg4 s GLN 357 Cb 0.20 -3.56 0.49 0.00 1.10 0.00 0.00 33.01 31.24 3hg4 s GLN 357 CO 0.31 -0.40 1.75 0.39 -0.55 0.00 0.00 175.29 176.79 3hg4 n GLU 358 N 5.21 2.76 -3.65 1.67 1.02 -1.26 -4.01 120.64 122.38 3hg4 n GLU 358 Ca 0.10 -3.46 -0.10 0.00 -0.02 0.00 0.00 57.16 53.67 3hg4 n GLU 358 Cb 0.47 -2.22 -0.05 0.00 -0.02 0.00 0.00 31.44 29.63 3hg4 n GLU 358 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3hg4 s ILE 359 N -4.40 0.07 0.00 -3.67 2.07 -1.26 -5.08 121.20 108.93 3hg4 s ILE 359 Ca 0.58 -0.61 0.00 0.00 -1.41 0.00 0.00 60.65 59.21 3hg4 s ILE 359 Cb 0.47 -1.16 0.00 0.00 0.13 0.00 0.00 42.46 41.90 3hg4 s ILE 359 CO 0.02 -0.34 0.00 0.61 -1.91 0.00 0.00 174.94 173.32 3hg4 n GLY 360 N -0.15 0.01 0.00 1.50 0.00 -1.26 -4.91 105.19 100.38 3hg4 n GLY 360 Ca -0.16 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3hg4 n GLY 360 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hg4 n GLY 361 N 0.00 4.94 3.72 -0.02 0.00 -1.26 -4.87 105.19 107.70 3hg4 n GLY 361 Ca 0.00 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 3hg4 n GLY 361 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hg4 n PRO 362 N 0.00 2.37 -4.96 1.61 -0.02 -1.26 -4.45 135.00 128.28 3hg4 n PRO 362 Ca 0.00 0.84 -0.32 0.00 -2.02 0.00 0.00 63.50 61.99 3hg4 n PRO 362 Cb 0.00 -2.51 -0.14 0.00 -0.02 0.00 0.00 33.50 30.83 3hg4 n PRO 362 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3hg4 s ARG 363 N -1.27 2.54 0.29 -0.52 0.52 -0.49 -4.83 118.95 115.19 3hg4 s ARG 363 Ca 0.60 -0.74 -0.28 0.00 -0.52 0.00 0.00 55.73 54.79 3hg4 s ARG 363 Cb -0.55 -2.34 -0.09 0.00 0.52 0.00 0.00 34.95 32.49 3hg4 s ARG 363 CO 0.56 0.56 0.98 -1.54 0.02 0.00 0.00 175.30 175.88 3hg4 s SER 364 N -0.57 7.41 -0.04 0.23 1.04 -1.26 -0.34 113.70 120.17 3hg4 s SER 364 Ca 0.08 1.98 0.01 0.00 0.48 0.00 0.00 55.95 58.50 3hg4 s SER 364 Cb -0.11 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.43 3hg4 s SER 364 CO 0.01 -0.02 -0.04 -0.47 0.98 0.00 0.00 173.24 173.70 3hg4 s TYR 365 N -1.36 0.74 0.01 5.02 5.04 0.80 -4.95 117.35 122.66 3hg4 s TYR 365 Ca 0.46 -0.20 0.08 0.00 -2.44 0.00 0.00 57.07 54.97 3hg4 s TYR 365 Cb -0.24 -0.67 -0.02 0.00 0.35 0.00 0.00 41.96 41.38 3hg4 s TYR 365 CO 0.31 -0.20 -0.25 0.95 -1.34 0.00 0.00 175.55 175.02 3hg4 s THR 366 N 0.95 2.03 -0.05 4.34 -4.23 -1.26 -1.12 115.64 116.30 3hg4 s THR 366 Ca -0.11 -1.20 -0.05 0.00 -1.18 0.00 0.00 61.69 59.15 3hg4 s THR 366 Cb -0.14 -1.71 0.01 0.00 1.34 0.00 0.00 72.50 72.00 3hg4 s THR 366 CO -0.00 0.47 0.14 -0.51 -0.54 0.00 0.00 174.62 174.18 3hg4 s ILE 367 N -0.68 0.01 0.13 2.99 2.07 -0.64 -5.00 121.20 120.07 3hg4 s ILE 367 Ca 0.10 -0.12 -0.31 0.00 -1.41 0.00 0.00 60.65 58.91 3hg4 s ILE 367 Cb -0.10 -0.25 -0.08 0.00 0.13 0.00 0.00 42.46 42.16 3hg4 s ILE 367 CO 0.00 -0.07 1.36 0.00 -1.91 0.00 0.00 174.94 174.33 3hg4 s ALA 368 N -0.17 3.57 0.51 1.50 0.00 -1.26 -0.69 121.76 125.22 3hg4 s ALA 368 Ca -0.03 1.10 0.34 0.00 0.00 0.00 0.00 51.96 53.38 3hg4 s ALA 368 Cb -0.02 -3.52 1.86 0.00 0.00 0.00 0.00 23.12 21.43 3hg4 s ALA 368 CO 0.00 -0.59 2.21 -0.39 0.00 0.00 0.00 175.76 176.99 3hg4 h VAL 369 N 4.17 0.31 -0.04 0.00 -1.51 -1.65 -0.65 116.25 116.88 3hg4 h VAL 369 Ca -0.43 -0.23 0.01 0.00 -1.23 0.00 0.00 66.70 64.83 3hg4 h VAL 369 Cb 1.21 1.17 -0.00 0.00 -2.13 0.00 0.00 31.29 31.54 3hg4 h VAL 369 CO 0.84 0.04 0.04 0.00 -1.23 0.00 0.00 177.57 177.26 3hg4 h ALA 370 N 1.96 1.77 0.00 5.19 0.00 -1.78 -1.54 119.26 124.86 3hg4 h ALA 370 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hg4 h ALA 370 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hg4 h ALA 370 CO 0.00 -0.06 0.00 0.77 0.00 0.00 0.00 179.25 179.97 3hg4 h SER 371 N 0.00 0.00 -3.38 0.00 0.02 -1.46 -3.11 113.55 105.61 3hg4 h SER 371 Ca 0.02 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.42 3hg4 h SER 371 Cb 0.09 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 3hg4 h SER 371 CO -0.00 0.00 -0.03 -0.76 -1.14 0.00 0.00 176.83 174.90 3hg4 s LEU 372 N -5.70 4.34 -1.39 5.07 1.02 -0.58 -4.32 118.68 117.12 3hg4 s LEU 372 Ca 0.08 1.17 -0.08 0.00 0.02 0.00 0.00 54.13 55.31 3hg4 s LEU 372 Cb 0.07 -3.34 0.01 0.00 0.02 0.00 0.00 46.19 42.95 3hg4 s LEU 372 CO 0.63 0.09 1.02 0.61 0.02 0.00 0.00 176.35 178.72 3hg4 n GLY 373 N 0.79 -0.52 2.38 -3.19 0.00 -1.26 -2.08 105.19 101.31 3hg4 n GLY 373 Ca -0.05 0.21 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 3hg4 n GLY 373 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hg4 n LYS 374 N -4.68 -1.68 -0.99 1.61 5.02 -1.26 -0.69 118.16 115.49 3hg4 n LYS 374 Ca -0.02 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 3hg4 n LYS 374 Cb 0.58 -5.42 0.00 0.00 -0.02 0.00 0.00 35.03 30.16 3hg4 n LYS 374 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hg4 n GLY 375 N -0.67 0.46 0.07 0.72 0.00 -0.88 -4.89 105.19 100.00 3hg4 n GLY 375 Ca -0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 3hg4 n GLY 375 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hg4 n VAL 376 N -2.71 1.01 -0.25 1.61 0.31 0.14 -4.37 118.33 114.07 3hg4 n VAL 376 Ca 0.00 -0.67 -0.02 0.00 -0.01 0.00 0.00 64.34 63.64 3hg4 n VAL 376 Cb 0.08 -0.49 0.10 0.00 -0.91 0.00 0.00 33.84 32.62 3hg4 n VAL 376 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hg4 h ALA 377 N 0.90 0.94 -0.18 3.52 0.00 -1.70 -3.09 119.26 119.66 3hg4 h ALA 377 Ca -0.40 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 3hg4 h ALA 377 Cb 1.89 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 3hg4 h ALA 377 CO 0.02 0.15 -0.26 0.00 0.00 0.00 0.00 179.25 179.16 3hg4 s ASN 379 N -2.85 5.33 0.29 0.00 3.04 -1.17 -1.66 114.94 117.92 3hg4 s ASN 379 Ca 0.41 -0.62 0.25 0.00 0.04 0.00 0.00 52.86 52.94 3hg4 s ASN 379 Cb 0.38 -1.94 0.55 0.00 -1.54 0.00 0.00 41.25 38.71 3hg4 s ASN 379 CO -0.03 -0.19 1.64 1.55 -3.04 0.00 0.00 177.10 177.03 3hg4 h PRO 380 N 8.29 0.00 -3.50 0.43 0.13 -1.90 -3.45 132.00 132.00 3hg4 h PRO 380 Ca -0.32 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.77 3hg4 h PRO 380 Cb 1.14 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.17 3hg4 h PRO 380 CO 0.61 0.00 -0.07 0.00 -0.23 0.00 0.00 178.00 178.31 3hg4 s ALA 381 N -3.16 -0.58 0.02 -0.56 0.00 -0.66 -1.96 121.76 114.86 3hg4 s ALA 381 Ca 0.08 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 3hg4 s ALA 381 Cb 0.09 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 24.10 3hg4 s ALA 381 CO 0.64 -0.79 -0.00 0.00 0.00 0.00 0.00 175.76 175.61 3hg4 s PHE 383 N -1.50 3.30 -0.20 0.00 5.36 0.13 -0.05 117.98 125.02 3hg4 s PHE 383 Ca -0.15 0.41 -0.07 0.00 -0.96 0.00 0.00 56.93 56.16 3hg4 s PHE 383 Cb -0.09 -2.47 -0.03 0.00 -0.34 0.00 0.00 43.02 40.09 3hg4 s PHE 383 CO -0.01 -0.08 0.05 0.42 -1.46 0.00 0.00 175.22 174.14 3hg4 s ILE 384 N 1.54 4.44 -0.15 3.12 1.01 -0.10 -1.13 121.20 129.93 3hg4 s ILE 384 Ca 0.14 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.66 3hg4 s ILE 384 Cb -0.15 -3.02 0.01 0.00 0.01 0.00 0.00 42.46 39.31 3hg4 s ILE 384 CO 0.08 0.42 -0.20 -0.89 0.00 0.00 0.00 174.94 174.34 3hg4 s THR 385 N 0.87 2.19 0.14 2.92 2.01 -0.51 -0.35 115.64 122.91 3hg4 s THR 385 Ca 0.03 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.79 3hg4 s THR 385 Cb -0.14 -1.89 -0.07 0.00 0.01 0.00 0.00 72.50 70.42 3hg4 s THR 385 CO 0.02 0.54 1.11 -1.58 -0.69 0.00 0.00 174.62 174.02 3hg4 s GLN 386 N 0.84 4.56 -0.17 4.92 0.74 0.15 -0.33 119.66 130.38 3hg4 s GLN 386 Ca -0.06 1.70 0.04 0.00 0.05 0.00 0.00 55.36 57.09 3hg4 s GLN 386 Cb -0.15 -3.31 -0.13 0.00 1.10 0.00 0.00 33.01 30.52 3hg4 s GLN 386 CO -0.02 0.00 -0.11 1.28 -0.55 0.00 0.00 175.29 175.89 3hg4 n LEU 387 N 2.81 2.28 -4.03 3.68 4.77 0.13 -1.08 117.00 125.56 3hg4 n LEU 387 Ca 0.04 -0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.80 3hg4 n LEU 387 Cb 0.47 -0.40 -0.13 0.00 -2.33 0.00 0.00 43.42 41.03 3hg4 n LEU 387 CO 0.54 0.69 -0.41 -0.76 -1.33 0.00 0.00 177.39 176.13 3hg4 s LEU 388 N -5.81 2.15 0.48 2.23 1.43 -1.02 -3.50 118.68 114.65 3hg4 s LEU 388 Ca -0.20 -0.36 0.28 0.00 -1.03 0.00 0.00 54.13 52.81 3hg4 s LEU 388 Cb 0.06 -0.25 1.04 0.00 0.03 0.00 0.00 46.19 47.07 3hg4 s LEU 388 CO 0.45 -0.08 1.87 1.55 0.23 0.00 0.00 176.35 180.37 3hg4 h PRO 389 N 5.13 0.00 -5.45 1.29 0.13 -1.89 -1.32 132.00 129.89 3hg4 h PRO 389 Ca -0.33 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.38 3hg4 h PRO 389 Cb 1.20 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 3hg4 h PRO 389 CO 0.45 0.12 -0.74 0.14 -0.23 0.00 0.00 178.00 177.74 3hg4 s VAL 390 N -3.62 1.52 -0.23 1.56 -7.23 -1.26 -5.13 120.40 106.02 3hg4 s VAL 390 Ca 0.01 -2.05 -0.24 0.00 -1.81 0.00 0.00 61.98 57.90 3hg4 s VAL 390 Cb 0.09 -1.87 -0.01 0.00 0.56 0.00 0.00 36.38 35.15 3hg4 s VAL 390 CO 0.60 -0.57 0.78 -0.75 -0.31 0.00 0.00 175.10 174.86 3hg4 s LYS 391 N -3.39 4.19 -0.13 4.82 2.20 -1.23 -3.89 119.74 122.31 3hg4 s LYS 391 Ca 0.18 0.86 -0.07 0.00 -0.36 0.00 0.00 55.97 56.58 3hg4 s LYS 391 Cb -0.01 -3.63 0.05 0.00 -1.51 0.00 0.00 37.83 32.72 3hg4 s LYS 391 CO 0.04 -0.46 0.31 0.50 -0.36 0.00 0.00 175.35 175.39 3hg4 s ARG 392 N 2.63 0.29 -0.06 4.03 3.52 -0.24 -5.00 118.95 124.13 3hg4 s ARG 392 Ca 0.33 0.62 -0.30 0.00 -0.13 0.00 0.00 55.73 56.25 3hg4 s ARG 392 Cb -0.15 -0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.14 3hg4 s ARG 392 CO 0.08 -0.15 1.16 0.15 -0.81 0.00 0.00 175.30 175.73 3hg4 s LYS 393 N 1.23 4.37 0.00 5.12 1.02 -1.26 0.34 119.74 130.56 3hg4 s LYS 393 Ca -0.09 1.62 0.22 0.00 0.02 0.00 0.00 55.97 57.74 3hg4 s LYS 393 Cb -0.09 -3.54 -0.29 0.00 -0.52 0.00 0.00 37.83 33.39 3hg4 s LYS 393 CO -0.09 -0.40 0.57 1.28 -0.92 0.00 0.00 175.35 175.78 3hg4 n LEU 394 N 5.06 0.14 0.00 3.17 4.77 0.52 -4.92 117.00 125.75 3hg4 n LEU 394 Ca 0.10 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3hg4 n LEU 394 Cb 0.47 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3hg4 n LEU 394 CO 0.55 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3hg4 n GLY 395 N 1.25 -1.01 3.75 -0.72 0.00 -1.06 -4.91 105.19 102.49 3hg4 n GLY 395 Ca -0.03 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.45 3hg4 n GLY 395 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hg4 s PHE 396 N 0.00 3.80 -0.15 1.61 0.08 -1.26 -0.93 117.98 121.12 3hg4 s PHE 396 Ca 0.00 1.56 0.00 0.00 0.12 0.00 0.00 56.93 58.61 3hg4 s PHE 396 Cb 0.00 -2.83 0.03 0.00 -0.57 0.00 0.00 43.02 39.65 3hg4 s PHE 396 CO 0.00 0.34 -0.11 0.71 -0.10 0.00 0.00 175.22 176.05 3hg4 s TYR 397 N -0.37 2.05 0.76 0.36 1.51 0.93 -4.97 117.35 117.62 3hg4 s TYR 397 Ca 0.39 -1.19 -0.11 0.00 -1.01 0.00 0.00 57.07 55.15 3hg4 s TYR 397 Cb -0.22 -1.51 0.05 0.00 -0.11 0.00 0.00 41.96 40.17 3hg4 s TYR 397 CO 0.25 -0.65 1.10 -1.21 -1.11 0.00 0.00 175.55 173.93 3hg4 s GLU 398 N 1.52 2.24 0.50 -0.62 0.41 -1.26 -1.09 118.70 120.41 3hg4 s GLU 398 Ca 0.04 1.27 0.18 0.00 -0.41 0.00 0.00 54.97 56.04 3hg4 s GLU 398 Cb -0.14 -1.89 1.24 0.00 -1.78 0.00 0.00 34.13 31.56 3hg4 s GLU 398 CO -0.10 -1.67 2.06 2.35 -0.49 0.00 0.00 175.26 177.41 3hg4 h TRP 399 N -0.94 0.12 -0.04 1.61 7.01 -1.28 -1.79 115.95 120.65 3hg4 h TRP 399 Ca -0.44 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.56 3hg4 h TRP 399 Cb 1.24 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 28.26 3hg4 h TRP 399 CO 0.56 0.07 0.00 0.25 -2.79 0.00 0.00 178.44 176.53 3hg4 n THR 400 N -4.47 0.03 -2.50 2.65 -2.24 -1.26 -3.46 114.28 103.02 3hg4 n THR 400 Ca 0.04 -0.28 -0.25 0.00 -2.27 0.00 0.00 64.05 61.29 3hg4 n THR 400 Cb 0.32 0.55 0.04 0.00 -2.10 0.00 0.00 70.33 69.14 3hg4 n THR 400 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hg4 s SER 401 N -1.95 5.42 -0.05 3.42 1.04 -0.67 -4.93 113.70 115.97 3hg4 s SER 401 Ca 0.37 0.46 0.03 0.00 0.48 0.00 0.00 55.95 57.29 3hg4 s SER 401 Cb 0.21 -1.41 -0.03 0.00 0.10 0.00 0.00 66.02 64.89 3hg4 s SER 401 CO 0.32 -1.12 -0.12 -0.13 0.98 0.00 0.00 173.24 173.17 3hg4 s ARG 402 N -4.93 2.56 -0.20 4.02 0.52 -1.26 -1.97 118.95 117.70 3hg4 s ARG 402 Ca 0.55 -0.66 -0.08 0.00 -0.52 0.00 0.00 55.73 55.02 3hg4 s ARG 402 Cb -0.10 -2.43 -0.04 0.00 0.52 0.00 0.00 34.95 32.89 3hg4 s ARG 402 CO 0.43 0.63 0.09 -1.17 0.02 0.00 0.00 175.30 175.30 3hg4 s LEU 403 N -0.75 3.91 -0.15 2.53 2.96 0.14 -4.92 118.68 122.39 3hg4 s LEU 403 Ca 0.12 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 3hg4 s LEU 403 Cb -0.11 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.59 3hg4 s LEU 403 CO 0.01 0.14 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.88 3hg4 s ARG 404 N 0.61 2.49 0.25 1.98 0.52 -1.26 -1.63 118.95 121.92 3hg4 s ARG 404 Ca 0.05 -0.64 0.04 0.00 -0.52 0.00 0.00 55.73 54.67 3hg4 s ARG 404 Cb -0.13 -2.21 -0.05 0.00 0.52 0.00 0.00 34.95 33.07 3hg4 s ARG 404 CO 0.01 -0.20 -0.01 -1.12 0.02 0.00 0.00 175.30 173.99 3hg4 s SER 405 N 1.36 2.15 -0.09 0.23 0.01 -0.28 -4.99 113.70 112.10 3hg4 s SER 405 Ca 0.03 -1.23 0.04 0.00 1.31 0.00 0.00 55.95 56.11 3hg4 s SER 405 Cb -0.13 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.05 3hg4 s SER 405 CO -0.10 -0.47 -0.21 -1.00 0.41 0.00 0.00 173.24 171.87 3hg4 s HIS 406 N -3.29 2.27 -0.12 2.43 3.76 -1.26 -0.14 115.29 118.94 3hg4 s HIS 406 Ca 0.29 -0.89 0.02 0.00 -0.15 0.00 0.00 55.06 54.34 3hg4 s HIS 406 Cb 0.05 -1.54 0.01 0.00 1.11 0.00 0.00 32.58 32.22 3hg4 s HIS 406 CO 0.10 -0.36 -0.20 0.42 -0.85 0.00 0.00 174.74 173.86 3hg4 s ILE 407 N 0.35 1.83 0.45 0.60 1.01 0.54 -4.86 121.20 121.13 3hg4 s ILE 407 Ca -0.16 -0.85 -0.24 0.00 0.00 0.00 0.00 60.65 59.40 3hg4 s ILE 407 Cb -0.17 -1.63 -0.08 0.00 0.01 0.00 0.00 42.46 40.60 3hg4 s ILE 407 CO 0.07 0.51 1.26 0.20 0.00 0.00 0.00 174.94 176.97 3hg4 s ASN 408 N 0.78 6.09 -0.13 3.58 0.01 -1.26 -1.40 114.94 122.62 3hg4 s ASN 408 Ca -0.09 2.54 -0.39 0.00 -0.71 0.00 0.00 52.86 54.21 3hg4 s ASN 408 Cb -0.16 -2.62 -0.16 0.00 0.41 0.00 0.00 41.25 38.72 3hg4 s ASN 408 CO 0.00 -0.99 1.60 -2.65 -1.51 0.00 0.00 177.10 173.56 3hg4 n PRO 409 N -0.28 1.21 -0.78 -0.60 -0.02 -1.26 -0.35 135.00 132.91 3hg4 n PRO 409 Ca 0.06 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3hg4 n PRO 409 Cb 0.45 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3hg4 n PRO 409 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hg4 n THR 410 N 3.84 0.00 -2.59 3.45 -2.24 0.30 -4.87 114.28 112.16 3hg4 n THR 410 Ca 0.23 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.79 3hg4 n THR 410 Cb 0.16 -0.30 0.07 0.00 -2.10 0.00 0.00 70.33 68.16 3hg4 n THR 410 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hg4 s GLY 411 N -2.00 1.79 -0.01 3.38 0.00 0.52 -3.78 107.32 107.23 3hg4 s GLY 411 Ca 0.00 -1.46 0.02 0.00 0.00 0.00 0.00 44.72 43.28 3hg4 s GLY 411 CO 0.00 -1.06 -0.06 -1.59 0.00 0.00 0.00 173.10 170.39 3hg4 s THR 412 N -2.94 0.51 -0.25 0.90 2.01 -1.26 -2.37 115.64 112.24 3hg4 s THR 412 Ca 0.61 -0.25 -0.11 0.00 0.31 0.00 0.00 61.69 62.25 3hg4 s THR 412 Cb -0.08 -0.45 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 3hg4 s THR 412 CO 0.41 0.16 0.20 -0.69 -0.69 0.00 0.00 174.62 174.01 3hg4 s VAL 413 N 0.01 5.32 -0.17 3.82 1.01 -0.29 -3.90 120.40 126.20 3hg4 s VAL 413 Ca 0.00 0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 3hg4 s VAL 413 Cb -0.04 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 3hg4 s VAL 413 CO -0.00 0.30 -0.03 -0.22 0.00 0.00 0.00 175.10 175.15 3hg4 s LEU 414 N 1.33 3.20 0.06 3.92 2.96 -0.50 -0.65 118.68 128.99 3hg4 s LEU 414 Ca 0.09 -0.18 0.08 0.00 -0.22 0.00 0.00 54.13 53.89 3hg4 s LEU 414 Cb -0.14 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3hg4 s LEU 414 CO 0.07 0.12 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.25 3hg4 s LEU 415 N 0.66 2.20 -0.15 -0.68 1.43 0.55 0.22 118.68 122.92 3hg4 s LEU 415 Ca -0.02 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 3hg4 s LEU 415 Cb -0.14 -0.95 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 3hg4 s LEU 415 CO 0.02 0.13 -0.12 -1.58 0.23 0.00 0.00 176.35 175.04 3hg4 s GLN 416 N -1.37 3.36 -0.22 1.70 0.74 0.56 -0.85 119.66 123.58 3hg4 s GLN 416 Ca 0.07 -0.68 -0.05 0.00 0.05 0.00 0.00 55.36 54.75 3hg4 s GLN 416 Cb -0.09 -2.70 -0.02 0.00 1.10 0.00 0.00 33.01 31.30 3hg4 s GLN 416 CO 0.02 0.11 0.00 -0.51 -0.55 0.00 0.00 175.29 174.36 3hg4 s LEU 417 N 0.63 3.20 -0.28 3.68 1.02 0.17 -1.42 118.68 125.67 3hg4 s LEU 417 Ca -0.07 -0.26 -0.04 0.00 0.02 0.00 0.00 54.13 53.78 3hg4 s LEU 417 Cb -0.15 -1.82 0.02 0.00 0.02 0.00 0.00 46.19 44.26 3hg4 s LEU 417 CO 0.03 0.02 0.03 -1.61 0.02 0.00 0.00 176.35 174.83 3hg4 s GLU 418 N 1.27 2.88 0.23 1.70 0.41 -0.28 -1.22 118.70 123.70 3hg4 s GLU 418 Ca 0.04 -0.97 -0.31 0.00 -0.41 0.00 0.00 54.97 53.31 3hg4 s GLU 418 Cb -0.15 -3.23 -0.12 0.00 -1.78 0.00 0.00 34.13 28.85 3hg4 s GLU 418 CO 0.01 -0.47 1.64 -1.71 -0.49 0.00 0.00 175.26 174.24 3hg4 n ASN 419 N 4.77 3.77 -3.82 -0.19 2.85 -1.24 -0.70 115.26 120.71 3hg4 n ASN 419 Ca -0.15 1.10 -0.12 0.00 -0.11 0.00 0.00 54.58 55.30 3hg4 n ASN 419 Cb 0.47 -1.56 -0.09 0.00 1.24 0.00 0.00 39.78 39.84 3hg4 n ASN 419 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 3hg4 s THR 420 N 0.65 0.07 -0.11 -0.44 -1.32 -0.59 -4.88 115.64 109.02 3hg4 s THR 420 Ca 0.71 -0.56 0.15 0.00 -1.21 0.00 0.00 61.69 60.79 3hg4 s THR 420 Cb -0.53 -0.51 -0.11 0.00 -1.51 0.00 0.00 72.50 69.84 3hg4 s THR 420 CO 0.40 -0.31 0.97 -0.03 -2.21 0.00 0.00 174.62 173.44 3hg4 h MET 421 N 4.15 0.00 -7.23 7.08 4.05 -1.94 -3.08 114.93 117.96 3hg4 h MET 421 Ca -0.30 0.00 -0.51 0.00 -0.28 0.00 0.00 59.70 58.61 3hg4 h MET 421 Cb 1.19 0.00 0.10 0.00 -0.80 0.00 0.00 31.60 32.08 3hg4 h MET 421 CO 0.40 0.39 0.37 -0.65 0.23 0.00 0.00 176.91 177.65 3hg4 s GLN 422 N -2.89 2.85 0.00 0.39 -0.21 -1.26 -4.88 119.66 113.66 3hg4 s GLN 422 Ca -0.01 1.27 0.00 0.00 0.02 0.00 0.00 55.36 56.63 3hg4 s GLN 422 Cb 0.08 -1.97 0.00 0.00 1.00 0.00 0.00 33.01 32.13 3hg4 s GLN 422 CO 0.80 -1.19 0.00 -1.33 -2.12 0.00 0.00 175.29 171.45