#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 8.60 -0.81 1.96 -0.08 -1.26 -4.45 116.55 120.51 3hg4 n ASP 33 Ca 0.00 -2.68 0.08 0.00 -1.51 0.00 0.00 54.79 50.68 3hg4 n ASP 33 Cb 0.00 -1.52 0.16 0.00 2.34 0.00 0.00 41.12 42.10 3hg4 n ASP 33 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 3hg4 n ASN 34 N 3.25 2.96 0.00 1.67 6.94 -1.26 -4.96 115.26 123.85 3hg4 n ASN 34 Ca 0.76 -1.88 0.00 0.00 -0.02 0.00 0.00 54.58 53.44 3hg4 n ASN 34 Cb 0.23 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 3hg4 n ASN 34 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hg4 n GLY 35 N 0.91 0.53 3.71 4.83 0.00 -1.26 -5.01 105.19 108.91 3hg4 n GLY 35 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 3.16 -1.62 0.99 1.43 -1.26 -4.68 118.68 116.70 3hg4 s LEU 36 Ca 0.00 -0.90 -0.16 0.00 -1.03 0.00 0.00 54.13 52.05 3hg4 s LEU 36 Cb 0.00 -1.58 0.12 0.00 0.03 0.00 0.00 46.19 44.76 3hg4 s LEU 36 CO 0.00 -0.35 0.84 0.00 0.23 0.00 0.00 176.35 177.07 3hg4 n ALA 37 N -1.13 -1.32 0.25 4.21 0.00 -1.26 -4.07 120.51 117.19 3hg4 n ALA 37 Ca -0.03 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.57 3hg4 n ALA 37 Cb 0.62 -3.75 0.65 0.00 0.00 0.00 0.00 19.45 16.98 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 -1.74 0.00 -6.08 0.00 2.47 -1.90 0.26 114.38 107.39 3hg4 h ARG 38 Ca -0.59 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 57.57 3hg4 h ARG 38 Cb 1.38 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 29.54 3hg4 h ARG 38 CO 0.73 0.15 -0.77 0.95 0.56 0.00 0.00 179.97 181.59 3hg4 s THR 39 N -4.27 2.10 0.19 2.04 -4.23 -1.26 -4.38 115.64 105.84 3hg4 s THR 39 Ca -0.03 -2.14 -0.33 0.00 -1.18 0.00 0.00 61.69 58.01 3hg4 s THR 39 Cb 0.14 -2.07 -0.14 0.00 1.34 0.00 0.00 72.50 71.76 3hg4 s THR 39 CO 0.62 -0.36 1.43 -2.65 -0.54 0.00 0.00 174.62 173.12 3hg4 n PRO 40 N -0.11 1.90 -1.75 3.99 -0.02 -1.26 -4.89 135.00 132.86 3hg4 n PRO 40 Ca -0.10 0.68 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 3hg4 n PRO 40 Cb 0.58 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3hg4 n PRO 40 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3hg4 n THR 41 N 2.38 2.16 -4.84 3.45 -1.04 -1.26 -4.70 114.28 110.43 3hg4 n THR 41 Ca 0.14 -0.50 -0.26 0.00 -2.04 0.00 0.00 64.05 61.39 3hg4 n THR 41 Cb 0.29 -1.83 -0.16 0.00 -1.82 0.00 0.00 70.33 66.81 3hg4 n THR 41 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3hg4 s MET 42 N -2.11 1.88 0.00 -2.82 -1.94 -1.26 -0.32 119.30 112.72 3hg4 s MET 42 Ca 0.55 -0.61 0.00 0.00 -1.71 0.00 0.00 55.69 53.92 3hg4 s MET 42 Cb -0.50 -1.60 0.00 0.00 2.01 0.00 0.00 34.83 34.75 3hg4 s MET 42 CO 0.62 0.22 0.00 0.41 -0.01 0.00 0.00 175.02 176.26 3hg4 n GLY 43 N 3.25 1.11 2.92 -0.03 0.00 0.05 -1.40 105.19 111.10 3hg4 n GLY 43 Ca -0.19 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.04 0.49 -0.02 1.61 -0.00 0.44 -0.24 118.94 120.18 3hg4 s TRP 44 Ca 0.00 -0.09 0.01 0.00 -0.00 0.00 0.00 56.10 56.02 3hg4 s TRP 44 Cb 0.00 -0.39 0.01 0.00 -0.00 0.00 0.00 33.47 33.09 3hg4 s TRP 44 CO 0.00 -0.06 -0.05 -1.17 -0.00 0.00 0.00 176.95 175.67 3hg4 s LEU 45 N 0.26 1.67 0.46 5.86 2.96 0.11 -0.20 118.68 129.80 3hg4 s LEU 45 Ca -0.03 -0.11 0.26 0.00 -0.22 0.00 0.00 54.13 54.03 3hg4 s LEU 45 Cb -0.06 -0.37 0.80 0.00 0.50 0.00 0.00 46.19 47.05 3hg4 s LEU 45 CO -0.00 0.01 1.77 1.12 -1.32 0.00 0.00 176.35 177.93 3hg4 h HIS 46 N 6.57 0.00 0.19 5.38 2.07 -1.81 -3.35 115.15 124.19 3hg4 h HIS 46 Ca -0.34 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.19 3hg4 h HIS 46 Cb 1.17 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.11 3hg4 h HIS 46 CO 0.45 0.13 -0.39 2.35 -3.07 0.00 0.00 177.93 177.40 3hg4 h TRP 47 N 0.00 -1.09 -0.40 6.12 2.91 -1.89 -0.12 115.95 121.49 3hg4 h TRP 47 Ca -0.00 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.02 3hg4 h TRP 47 Cb 0.82 0.45 -0.02 0.00 -0.51 0.00 0.00 29.16 29.91 3hg4 h TRP 47 CO 0.00 -0.51 0.15 1.49 -1.03 0.00 0.00 178.44 178.55 3hg4 h GLU 48 N -0.67 0.60 0.18 2.65 4.22 -1.89 0.35 114.58 120.02 3hg4 h GLU 48 Ca 0.01 -0.11 -0.32 0.00 0.08 0.00 0.00 59.36 59.02 3hg4 h GLU 48 Cb 0.67 -0.10 0.03 0.00 0.50 0.00 0.00 28.75 29.86 3hg4 h GLU 48 CO -0.19 0.57 -1.35 -0.09 -2.18 0.00 0.00 179.01 175.77 3hg4 h ARG 49 N 0.50 0.60 0.00 1.92 9.65 -1.73 -3.40 114.38 121.91 3hg4 h ARG 49 Ca 0.13 -0.88 -0.01 0.00 -1.10 0.00 0.00 59.98 58.11 3hg4 h ARG 49 Cb 0.20 0.31 -0.00 0.00 -1.39 0.00 0.00 29.97 29.09 3hg4 h ARG 49 CO -0.01 1.41 -1.57 1.19 2.80 0.00 0.00 179.97 183.80 3hg4 n PHE 50 N -3.76 0.00 -3.36 2.20 3.72 -0.07 -5.06 117.46 111.14 3hg4 n PHE 50 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3hg4 n PHE 50 Cb 1.04 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 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 -1.95 0.00 -2.24 -1.08 2.81 0.12 -3.15 117.12 111.63 3hg4 n MET 51 Ca -0.03 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.54 3hg4 n MET 51 Cb 0.35 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.88 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 -2.69 6.28 0.00 0.00 3.84 -1.19 -4.84 114.94 116.34 3hg4 s ASN 53 Ca 0.50 0.60 0.17 0.00 0.21 0.00 0.00 52.86 54.34 3hg4 s ASN 53 Cb 0.42 -2.54 0.32 0.00 -0.55 0.00 0.00 41.25 38.89 3hg4 s ASN 53 CO -0.25 -1.52 1.24 0.18 -2.79 0.00 0.00 177.10 173.96 3hg4 n LEU 54 N 9.03 3.00 -4.07 3.21 4.77 -1.26 0.20 117.00 131.88 3hg4 n LEU 54 Ca 0.15 -1.51 -0.43 0.00 -0.03 0.00 0.00 56.01 54.19 3hg4 n LEU 54 Cb 0.49 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3hg4 n LEU 54 CO 0.71 0.66 1.69 -0.67 -1.33 0.00 0.00 177.39 178.45 3hg4 n ASP 55 N 1.07 5.25 0.19 -1.43 2.03 -1.26 -4.74 116.55 117.67 3hg4 n ASP 55 Ca 0.15 -3.09 0.14 0.00 0.52 0.00 0.00 54.79 52.50 3hg4 n ASP 55 Cb 0.49 -1.49 0.40 0.00 -0.72 0.00 0.00 41.12 39.80 3hg4 n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hg4 h GLN 57 N 0.00 -0.18 0.04 0.00 1.08 -1.97 -2.78 115.11 111.29 3hg4 h GLN 57 Ca 0.00 0.01 -0.31 0.00 -1.45 0.00 0.00 58.65 56.90 3hg4 h GLN 57 Cb 0.73 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.16 3hg4 h GLN 57 CO 0.00 0.13 -1.75 0.93 -0.95 0.00 0.00 178.83 177.18 3hg4 h GLU 58 N -0.49 0.08 -2.16 1.46 4.39 -1.97 -3.40 114.58 112.49 3hg4 h GLU 58 Ca -0.02 -0.13 -0.57 0.00 0.34 0.00 0.00 59.36 58.98 3hg4 h GLU 58 Cb 0.38 0.05 -0.41 0.00 -0.10 0.00 0.00 28.75 28.67 3hg4 h GLU 58 CO 0.03 0.70 -0.80 0.39 -1.16 0.00 0.00 179.01 178.18 3hg4 n GLU 59 N -3.17 2.23 0.29 2.33 1.02 0.23 -4.93 120.64 118.62 3hg4 n GLU 59 Ca -0.20 -4.29 0.14 0.00 -0.02 0.00 0.00 57.16 52.79 3hg4 n GLU 59 Cb 1.05 -1.99 0.85 0.00 -0.02 0.00 0.00 31.44 31.33 3hg4 n GLU 59 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3hg4 h PRO 60 N 3.51 0.00 -0.00 3.49 0.13 -1.65 -1.53 132.00 135.95 3hg4 h PRO 60 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3hg4 h PRO 60 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3hg4 h PRO 60 CO 0.71 0.04 -0.40 -0.25 -0.23 0.00 0.00 178.00 177.88 3hg4 n ASP 61 N -3.78 0.89 0.00 1.44 8.00 -1.26 -4.27 116.55 117.56 3hg4 n ASP 61 Ca -0.03 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.78 3hg4 n ASP 61 Cb 0.14 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 3hg4 n ASP 61 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3hg4 n SER 62 N -0.97 0.28 -4.75 -2.24 3.41 -1.04 -4.90 113.62 103.40 3hg4 n SER 62 Ca 0.09 -0.72 -0.32 0.00 -0.26 0.00 0.00 58.87 57.66 3hg4 n SER 62 Cb 0.35 0.16 0.09 0.00 -0.26 0.00 0.00 64.21 64.55 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 -2.64 3.69 0.14 0.00 -1.09 0.13 -4.72 121.20 116.71 3hg4 s ILE 64 Ca 0.65 0.49 -0.10 0.00 -2.23 0.00 0.00 60.65 59.46 3hg4 s ILE 64 Cb -0.20 -4.54 -0.00 0.00 -1.58 0.00 0.00 42.46 36.14 3hg4 s ILE 64 CO 0.52 -1.40 0.28 -0.94 -1.23 0.00 0.00 174.94 172.17 3hg4 s SER 65 N 4.79 0.02 0.27 3.58 1.04 -1.26 -4.88 113.70 117.27 3hg4 s SER 65 Ca 0.48 -0.75 -0.00 0.00 0.48 0.00 0.00 55.95 56.15 3hg4 s SER 65 Cb -0.10 0.42 0.51 0.00 0.10 0.00 0.00 66.02 66.96 3hg4 s SER 65 CO 0.20 -0.86 1.82 -0.08 0.98 0.00 0.00 173.24 175.31 3hg4 h GLU 66 N 2.56 0.89 -0.45 4.02 4.81 -1.13 -2.43 114.58 122.85 3hg4 h GLU 66 Ca -0.32 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 58.90 3hg4 h GLU 66 Cb 1.22 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 3hg4 h GLU 66 CO 0.49 0.59 0.20 -0.22 -0.73 0.00 0.00 179.01 179.35 3hg4 h LYS 67 N 0.92 0.39 -0.55 1.92 3.64 -1.95 -1.51 116.57 119.43 3hg4 h LYS 67 Ca 0.47 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.91 3hg4 h LYS 67 Cb 0.47 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.14 3hg4 h LYS 67 CO -0.27 0.26 0.20 1.25 -2.27 0.00 0.00 179.45 178.62 3hg4 h LEU 68 N 0.41 0.19 -0.58 5.20 5.85 -1.72 -0.65 115.31 124.01 3hg4 h LEU 68 Ca 0.20 0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.84 3hg4 h LEU 68 Cb 0.14 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3hg4 h LEU 68 CO -0.16 0.13 -0.59 -0.26 -0.34 0.00 0.00 178.44 177.21 3hg4 h PHE 69 N 0.37 0.49 -0.15 1.25 0.04 -1.41 -2.01 116.94 115.52 3hg4 h PHE 69 Ca 0.27 -0.18 0.01 0.00 2.80 0.00 0.00 57.97 60.87 3hg4 h PHE 69 Cb 0.31 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 3hg4 h PHE 69 CO -0.17 0.88 0.05 0.52 -0.60 0.00 0.00 178.31 178.99 3hg4 h MET 70 N 0.29 0.12 -0.60 1.51 2.86 -0.88 -0.63 114.93 117.60 3hg4 h MET 70 Ca -0.00 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3hg4 h MET 70 Cb 1.12 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.72 3hg4 h MET 70 CO 0.10 0.08 0.38 0.93 1.06 0.00 0.00 176.91 179.46 3hg4 h GLU 71 N 0.12 0.74 -0.51 1.72 5.08 -0.95 -1.55 114.58 119.23 3hg4 h GLU 71 Ca 0.06 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3hg4 h GLU 71 Cb 0.04 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3hg4 h GLU 71 CO -0.07 0.49 -0.02 0.52 -1.00 0.00 0.00 179.01 178.94 3hg4 h MET 72 N 0.76 0.92 -0.27 2.33 2.86 -1.30 -2.39 114.93 117.84 3hg4 h MET 72 Ca 0.23 -0.30 0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3hg4 h MET 72 Cb -0.04 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 3hg4 h MET 72 CO -0.07 0.95 -0.01 0.00 1.06 0.00 0.00 176.91 178.84 3hg4 h ALA 73 N 0.94 0.23 -0.58 6.32 0.00 -0.79 0.14 119.26 125.51 3hg4 h ALA 73 Ca 0.14 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3hg4 h ALA 73 Cb 0.55 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3hg4 h ALA 73 CO 0.03 -0.42 0.34 0.93 0.00 0.00 0.00 179.25 180.12 3hg4 h GLU 74 N 0.07 0.63 -0.08 0.00 5.08 -1.21 -2.67 114.58 116.39 3hg4 h GLU 74 Ca 0.13 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 3hg4 h GLU 74 Cb 0.18 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3hg4 h GLU 74 CO -0.23 0.42 -0.73 -0.07 -1.00 0.00 0.00 179.01 177.40 3hg4 h LEU 75 N 0.65 0.50 -1.36 1.33 3.38 -1.11 0.62 115.31 119.32 3hg4 h LEU 75 Ca 0.24 -0.33 0.10 0.00 0.09 0.00 0.00 57.88 57.99 3hg4 h LEU 75 Cb 0.08 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 3hg4 h LEU 75 CO -0.13 1.07 0.52 0.24 0.09 0.00 0.00 178.44 180.23 3hg4 h MET 76 N 0.28 0.67 0.08 1.13 2.86 -0.50 0.22 114.93 119.68 3hg4 h MET 76 Ca -0.03 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3hg4 h MET 76 Cb 1.31 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.82 3hg4 h MET 76 CO 0.13 0.45 -0.04 0.28 1.06 0.00 0.00 176.91 178.78 3hg4 h VAL 77 N 0.70 0.59 0.00 -2.22 2.07 -1.30 0.12 116.25 116.20 3hg4 h VAL 77 Ca 0.37 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 3hg4 h VAL 77 Cb 0.51 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3hg4 h VAL 77 CO -0.14 0.18 -0.20 0.77 0.02 0.00 0.00 177.57 178.20 3hg4 h SER 78 N -0.99 0.00 -0.50 0.57 4.64 -0.64 -3.06 113.55 113.57 3hg4 h SER 78 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3hg4 h SER 78 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3hg4 h SER 78 CO 0.02 0.20 0.00 -0.62 -0.87 0.00 0.00 176.83 175.56 3hg4 n GLU 79 N -3.36 3.59 -1.01 4.77 -0.58 0.76 -4.97 120.64 119.84 3hg4 n GLU 79 Ca 0.00 -2.80 -0.00 0.00 -0.42 0.00 0.00 57.16 53.94 3hg4 n GLU 79 Cb 0.42 -1.84 -0.00 0.00 -0.57 0.00 0.00 31.44 29.45 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 0.56 0.47 0.14 0.62 0.00 -1.16 -4.95 105.19 100.87 3hg4 n GLY 80 Ca 0.23 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 0.45 -0.45 1.61 4.06 -1.52 -2.61 115.95 117.48 3hg4 h TRP 81 Ca -0.01 -0.16 -0.00 0.00 2.06 0.00 0.00 58.89 60.79 3hg4 h TRP 81 Cb 0.05 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.10 3hg4 h TRP 81 CO 0.03 0.82 0.26 -0.22 -3.56 0.00 0.00 178.44 175.77 3hg4 h LYS 82 N -0.05 0.61 -0.59 0.49 3.64 -0.86 -1.51 116.57 118.31 3hg4 h LYS 82 Ca 0.01 -0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.48 3hg4 h LYS 82 Cb 0.78 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 3hg4 h LYS 82 CO 0.05 0.46 0.41 -0.44 -2.27 0.00 0.00 179.45 177.66 3hg4 h ASP 83 N 0.59 0.13 0.62 4.20 3.32 -1.81 -0.72 116.42 122.75 3hg4 h ASP 83 Ca 0.16 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3hg4 h ASP 83 Cb 0.01 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3hg4 h ASP 83 CO -0.03 0.07 -0.28 0.00 -1.72 0.00 0.00 179.24 177.28 3hg4 n ALA 84 N -2.60 3.03 0.00 3.45 0.00 -0.83 -4.93 120.51 118.63 3hg4 n ALA 84 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3hg4 n ALA 84 Cb 0.57 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3hg4 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hg4 n GLY 85 N 1.46 1.09 3.57 0.00 0.00 -0.28 -5.05 105.19 105.99 3hg4 n GLY 85 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 1.96 -0.09 1.61 2.02 -0.63 -4.55 117.35 115.66 3hg4 s TYR 86 Ca 0.00 0.57 0.08 0.00 -0.37 0.00 0.00 57.07 57.35 3hg4 s TYR 86 Cb 0.00 -4.25 -0.11 0.00 -0.40 0.00 0.00 41.96 37.19 3hg4 s TYR 86 CO 0.00 -2.25 0.02 -1.91 -1.57 0.00 0.00 175.55 169.84 3hg4 n GLU 87 N 8.92 2.32 -3.48 -0.62 4.07 -0.49 -3.57 120.64 127.79 3hg4 n GLU 87 Ca 0.16 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.84 3hg4 n GLU 87 Cb 0.50 -1.24 -0.10 0.00 -0.06 0.00 0.00 31.44 30.54 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 -2.23 3.23 -0.34 4.31 2.02 -0.94 -0.76 117.35 122.65 3hg4 s TYR 88 Ca -0.05 -0.42 -0.19 0.00 -0.37 0.00 0.00 57.07 56.03 3hg4 s TYR 88 Cb 0.03 -2.57 -0.00 0.00 -0.40 0.00 0.00 41.96 39.02 3hg4 s TYR 88 CO 0.37 -0.51 0.59 -1.17 -1.57 0.00 0.00 175.55 173.27 3hg4 s LEU 89 N 1.73 4.26 -0.13 -1.29 2.96 0.65 -0.42 118.68 126.44 3hg4 s LEU 89 Ca 0.06 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 3hg4 s LEU 89 Cb -0.18 -2.72 0.00 0.00 0.50 0.00 0.00 46.19 43.79 3hg4 s LEU 89 CO 0.10 -0.52 -0.21 0.00 -1.32 0.00 0.00 176.35 174.40 3hg4 s ILE 91 N 0.62 4.48 0.00 0.00 1.01 0.04 -2.97 121.20 124.38 3hg4 s ILE 91 Ca -0.11 1.85 0.00 0.00 0.00 0.00 0.00 60.65 62.39 3hg4 s ILE 91 Cb -0.16 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.09 3hg4 s ILE 91 CO 0.03 0.41 0.00 -0.67 0.00 0.00 0.00 174.94 174.70 3hg4 n ASP 92 N 2.34 0.06 -4.62 3.58 -0.08 -1.26 -3.35 116.55 113.21 3hg4 n ASP 92 Ca -0.02 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.97 3hg4 n ASP 92 Cb 0.49 0.00 0.19 0.00 2.34 0.00 0.00 41.12 44.14 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 -0.46 2.35 -0.64 1.67 -1.08 -1.26 -4.24 116.67 113.01 3hg4 s ASP 93 Ca 0.00 1.65 -0.01 0.00 -0.52 0.00 0.00 52.55 53.67 3hg4 s ASP 93 Cb 0.00 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 3hg4 s ASP 93 CO 0.00 -3.37 0.10 0.00 0.52 0.00 0.00 175.17 172.42 3hg4 n TRP 95 N -3.88 0.03 -2.59 0.00 4.27 -1.26 -4.89 117.44 109.12 3hg4 n TRP 95 Ca -0.07 0.01 -0.33 0.00 -3.89 0.00 0.00 57.50 53.22 3hg4 n TRP 95 Cb 0.56 -0.57 -0.05 0.00 -1.36 0.00 0.00 31.31 29.89 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 -3.39 3.99 0.64 -2.67 -1.94 -1.26 -1.29 119.30 113.38 3hg4 s MET 96 Ca -0.08 1.14 -0.16 0.00 -1.71 0.00 0.00 55.69 54.88 3hg4 s MET 96 Cb 0.13 -2.14 -0.01 0.00 2.01 0.00 0.00 34.83 34.82 3hg4 s MET 96 CO 0.90 -0.24 1.14 0.00 -0.01 0.00 0.00 175.02 176.80 3hg4 s ALA 97 N -2.27 2.47 0.53 3.03 0.00 0.45 -4.20 121.76 121.76 3hg4 s ALA 97 Ca 0.62 0.69 0.18 0.00 0.00 0.00 0.00 51.96 53.46 3hg4 s ALA 97 Cb -0.11 -3.36 1.31 0.00 0.00 0.00 0.00 23.12 20.96 3hg4 s ALA 97 CO 0.21 -1.25 2.13 -1.00 0.00 0.00 0.00 175.76 175.85 3hg4 h PRO 98 N 0.29 0.00 -6.44 0.00 0.13 -1.96 -3.42 132.00 120.59 3hg4 h PRO 98 Ca -0.48 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.02 3hg4 h PRO 98 Cb 1.26 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.23 3hg4 h PRO 98 CO 0.54 0.00 -0.79 -0.65 -0.23 0.00 0.00 178.00 176.87 3hg4 s GLN 99 N -5.04 1.62 0.82 0.86 -1.52 -1.26 -4.46 119.66 110.69 3hg4 s GLN 99 Ca -0.05 -1.60 -0.11 0.00 -1.95 0.00 0.00 55.36 51.65 3hg4 s GLN 99 Cb 0.17 -1.84 0.09 0.00 -0.22 0.00 0.00 33.01 31.21 3hg4 s GLN 99 CO 0.67 0.37 1.09 1.03 -0.25 0.00 0.00 175.29 178.21 3hg4 s ARG 100 N -3.02 1.86 0.26 2.91 0.52 -1.26 -4.53 118.95 115.69 3hg4 s ARG 100 Ca 0.25 0.97 -0.04 0.00 -0.52 0.00 0.00 55.73 56.38 3hg4 s ARG 100 Cb -0.07 -1.87 0.06 0.00 0.52 0.00 0.00 34.95 33.60 3hg4 s ARG 100 CO 0.12 -1.86 0.36 -0.40 0.02 0.00 0.00 175.30 173.54 3hg4 n ASP 101 N -3.65 0.03 -0.23 0.23 5.68 -0.03 -4.86 116.55 113.72 3hg4 n ASP 101 Ca 0.08 -1.13 0.03 0.00 -0.50 0.00 0.00 54.79 53.27 3hg4 n ASP 101 Cb 0.54 -0.27 0.27 0.00 -1.14 0.00 0.00 41.12 40.52 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 -0.47 0.83 -0.14 -1.12 4.64 -1.98 -1.33 113.55 113.98 3hg4 h SER 102 Ca -0.12 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3hg4 h SER 102 Cb 0.32 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3hg4 h SER 102 CO 0.08 0.57 0.00 -0.62 -0.87 0.00 0.00 176.83 175.99 3hg4 n GLU 103 N -4.45 1.38 -2.08 4.77 -0.58 -1.26 -4.89 120.64 113.52 3hg4 n GLU 103 Ca 0.10 -0.58 -0.10 0.00 -0.42 0.00 0.00 57.16 56.16 3hg4 n GLU 103 Cb 0.12 -1.19 -0.01 0.00 -0.57 0.00 0.00 31.44 29.79 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 0.82 0.11 3.86 0.62 0.00 -0.50 -5.03 105.19 105.06 3hg4 n GLY 104 Ca 0.08 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.29 3.14 0.48 1.61 0.52 -1.26 -4.82 118.95 114.32 3hg4 s ARG 105 Ca 0.00 -0.70 -0.23 0.00 -0.52 0.00 0.00 55.73 54.28 3hg4 s ARG 105 Cb 0.00 -2.81 -0.07 0.00 0.52 0.00 0.00 34.95 32.59 3hg4 s ARG 105 CO 0.00 0.53 1.29 -0.51 0.02 0.00 0.00 175.30 176.63 3hg4 s LEU 106 N -2.94 4.01 0.03 2.53 1.43 -1.26 -0.85 118.68 121.63 3hg4 s LEU 106 Ca 0.32 2.60 0.02 0.00 -1.03 0.00 0.00 54.13 56.05 3hg4 s LEU 106 Cb -0.11 -4.14 -0.02 0.00 0.03 0.00 0.00 46.19 41.95 3hg4 s LEU 106 CO 0.25 -1.15 -0.08 0.00 0.23 0.00 0.00 176.35 175.60 3hg4 s GLN 107 N -2.63 0.54 0.53 1.70 -2.07 -1.26 -4.83 119.66 111.64 3hg4 s GLN 107 Ca 0.64 -0.58 -0.18 0.00 -1.82 0.00 0.00 55.36 53.42 3hg4 s GLN 107 Cb -0.36 -0.41 -0.07 0.00 -1.09 0.00 0.00 33.01 31.08 3hg4 s GLN 107 CO 0.45 0.09 1.04 0.00 -1.32 0.00 0.00 175.29 175.55 3hg4 s ALA 108 N -0.91 2.83 0.10 2.60 0.00 -1.26 -0.41 121.76 124.70 3hg4 s ALA 108 Ca -0.05 0.51 -0.34 0.00 0.00 0.00 0.00 51.96 52.08 3hg4 s ALA 108 Cb -0.07 -3.24 -0.14 0.00 0.00 0.00 0.00 23.12 19.67 3hg4 s ALA 108 CO 0.00 -0.50 1.61 -3.47 0.00 0.00 0.00 175.76 173.40 3hg4 n ASP 109 N -1.41 2.97 0.22 0.00 2.03 -0.41 -4.17 116.55 115.78 3hg4 n ASP 109 Ca 0.09 1.07 0.05 0.00 0.52 0.00 0.00 54.79 56.52 3hg4 n ASP 109 Cb 0.53 -1.38 0.50 0.00 -0.72 0.00 0.00 41.12 40.04 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 6.36 0.01 0.11 -0.67 0.13 -1.93 0.13 132.00 136.14 3hg4 h PRO 110 Ca -0.46 -0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.32 3hg4 h PRO 110 Cb 1.27 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 3hg4 h PRO 110 CO 0.89 0.19 -1.90 1.96 -0.23 0.00 0.00 178.00 178.91 3hg4 h GLN 111 N 0.01 0.23 0.00 0.86 7.50 -1.95 -3.26 115.11 118.50 3hg4 h GLN 111 Ca -0.00 -0.40 -0.19 0.00 0.50 0.00 0.00 58.65 58.56 3hg4 h GLN 111 Cb 0.33 0.15 -0.03 0.00 0.05 0.00 0.00 27.48 27.98 3hg4 h GLN 111 CO 0.02 1.10 -1.18 0.00 -1.50 0.00 0.00 178.83 177.28 3hg4 h ARG 112 N 0.06 0.00 -2.15 1.46 3.08 -1.89 -3.37 114.38 111.57 3hg4 h ARG 112 Ca -0.38 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.10 3hg4 h ARG 112 Cb 2.04 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 31.68 3hg4 h ARG 112 CO 0.10 0.54 -0.81 1.19 -1.07 0.00 0.00 179.97 179.92 3hg4 n PHE 113 N -3.10 2.43 0.30 3.04 3.72 0.46 -0.47 117.46 123.83 3hg4 n PHE 113 Ca -0.06 -3.94 0.18 0.00 -0.05 0.00 0.00 57.45 53.58 3hg4 n PHE 113 Cb 0.88 -0.48 0.90 0.00 -0.94 0.00 0.00 39.48 39.85 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 3.59 0.00 0.00 -1.08 0.13 -1.70 -1.79 132.00 131.15 3hg4 h PRO 114 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3hg4 h PRO 114 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3hg4 h PRO 114 CO 0.70 0.03 -0.73 0.72 -0.23 0.00 0.00 178.00 178.49 3hg4 n HIS 115 N -3.21 0.01 0.00 1.56 8.25 -1.26 -5.02 115.22 115.55 3hg4 n HIS 115 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3hg4 n HIS 115 Cb 0.20 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 1.50 -0.95 0.20 -1.41 0.00 -0.67 -4.29 105.19 99.57 3hg4 n GLY 116 Ca 0.05 -1.65 -0.16 0.00 0.00 0.00 0.00 46.02 44.26 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 1.31 -0.20 -0.61 1.08 -1.95 -2.77 117.51 114.37 3hg4 h ILE 117 Ca 0.00 -1.81 0.05 0.00 -0.39 0.00 0.00 64.86 62.71 3hg4 h ILE 117 Cb 0.00 1.96 -0.06 0.00 -3.07 0.00 0.00 36.82 35.65 3hg4 h ILE 117 CO 0.00 0.57 -0.17 -0.09 -0.69 0.00 0.00 178.15 177.77 3hg4 h ARG 118 N 0.39 -0.17 -0.84 2.37 2.43 -1.86 0.21 114.38 116.91 3hg4 h ARG 118 Ca -0.02 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 3hg4 h ARG 118 Cb 1.20 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.73 3hg4 h ARG 118 CO 0.12 -0.11 0.51 1.96 -1.51 0.00 0.00 179.97 180.94 3hg4 h GLN 119 N -0.18 0.87 -0.69 0.20 1.08 -1.74 -0.66 115.11 113.99 3hg4 h GLN 119 Ca 0.12 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.22 3hg4 h GLN 119 Cb 0.36 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 3hg4 h GLN 119 CO -0.31 0.57 0.24 1.25 -0.95 0.00 0.00 178.83 179.64 3hg4 h LEU 120 N 0.89 0.99 -0.82 1.46 5.85 -0.89 -1.98 115.31 120.81 3hg4 h LEU 120 Ca 0.38 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3hg4 h LEU 120 Cb 0.25 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3hg4 h LEU 120 CO -0.20 0.91 0.27 0.00 -0.34 0.00 0.00 178.44 179.08 3hg4 h ALA 121 N 1.11 1.05 -0.41 1.25 0.00 -0.09 -0.50 119.26 121.67 3hg4 h ALA 121 Ca 0.23 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3hg4 h ALA 121 Cb 0.26 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3hg4 h ALA 121 CO -0.01 0.66 0.11 -0.91 0.00 0.00 0.00 179.25 179.09 3hg4 h ASN 122 N 1.11 0.06 0.02 0.00 -0.26 -0.84 0.15 115.58 115.83 3hg4 h ASN 122 Ca 0.25 0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 56.05 3hg4 h ASN 122 Cb 0.25 0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 3hg4 h ASN 122 CO -0.01 0.07 -0.01 0.22 -1.06 0.00 0.00 177.43 176.63 3hg4 h TYR 123 N 0.25 -0.03 -0.70 1.19 3.20 -0.93 -0.86 116.97 119.09 3hg4 h TYR 123 Ca 0.20 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.08 3hg4 h TYR 123 Cb 0.22 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 3hg4 h TYR 123 CO -0.18 0.04 0.46 0.28 -1.64 0.00 0.00 178.16 177.11 3hg4 h VAL 124 N -0.08 1.16 -0.68 1.81 2.07 -0.88 -2.21 116.25 117.43 3hg4 h VAL 124 Ca -0.00 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 3hg4 h VAL 124 Cb 0.07 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 3hg4 h VAL 124 CO 0.00 0.17 0.28 0.45 0.02 0.00 0.00 177.57 178.49 3hg4 h HIS 125 N 0.92 1.00 0.00 1.57 3.86 -0.57 -1.63 115.15 120.30 3hg4 h HIS 125 Ca 0.26 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3hg4 h HIS 125 Cb -0.08 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.09 3hg4 h HIS 125 CO -0.03 0.76 0.00 0.66 0.86 0.00 0.00 177.93 180.18 3hg4 h SER 126 N 0.98 0.00 0.01 2.45 4.64 -0.53 0.12 113.55 121.22 3hg4 h SER 126 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3hg4 h SER 126 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3hg4 h SER 126 CO -0.02 0.00 -0.05 0.29 -0.87 0.00 0.00 176.83 176.18 3hg4 n LYS 127 N -2.90 1.66 -1.09 4.77 4.76 -0.88 -4.93 118.16 119.55 3hg4 n LYS 127 Ca -0.01 -1.08 -0.03 0.00 -2.87 0.00 0.00 58.31 54.32 3hg4 n LYS 127 Cb 0.17 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 31.87 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 1.23 0.63 3.88 0.72 0.00 0.43 -4.96 105.19 107.13 3hg4 n GLY 128 Ca 0.17 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.74 2.99 0.11 0.99 1.43 -0.67 -5.01 118.68 117.79 3hg4 s LEU 129 Ca 0.00 -1.05 0.10 0.00 -1.03 0.00 0.00 54.13 52.15 3hg4 s LEU 129 Cb 0.00 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 3hg4 s LEU 129 CO 0.00 -0.92 -0.26 -0.54 0.23 0.00 0.00 176.35 174.87 3hg4 s LYS 130 N -4.22 1.39 -0.19 1.70 1.02 0.06 -3.65 119.74 115.85 3hg4 s LYS 130 Ca 0.41 -1.27 -0.07 0.00 0.02 0.00 0.00 55.97 55.06 3hg4 s LYS 130 Cb -0.02 -1.80 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 3hg4 s LYS 130 CO 0.24 0.43 0.05 -1.17 -0.92 0.00 0.00 175.35 173.98 3hg4 s LEU 131 N -1.90 3.63 0.03 3.17 2.96 -1.26 -0.25 118.68 125.05 3hg4 s LEU 131 Ca 0.12 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 3hg4 s LEU 131 Cb -0.10 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 3hg4 s LEU 131 CO 0.05 0.13 0.06 -0.83 -1.32 0.00 0.00 176.35 174.44 3hg4 s GLY 132 N 0.65 1.98 0.37 7.98 0.00 0.18 0.16 107.32 118.65 3hg4 s GLY 132 Ca 0.02 -0.95 0.05 0.00 0.00 0.00 0.00 44.72 43.84 3hg4 s GLY 132 CO 0.02 -0.86 0.18 -1.50 0.00 0.00 0.00 173.10 170.94 3hg4 s ILE 133 N -1.24 0.35 -0.01 0.90 2.07 -0.04 -0.78 121.20 122.46 3hg4 s ILE 133 Ca 0.24 -2.00 0.03 0.00 -1.41 0.00 0.00 60.65 57.51 3hg4 s ILE 133 Cb -0.12 -2.42 -0.01 0.00 0.13 0.00 0.00 42.46 40.05 3hg4 s ILE 133 CO 0.16 0.00 -0.09 -0.47 -1.91 0.00 0.00 174.94 172.63 3hg4 s TYR 134 N -3.35 0.82 0.29 3.50 5.04 -1.21 -0.56 117.35 121.88 3hg4 s TYR 134 Ca 0.31 -0.16 0.01 0.00 -2.44 0.00 0.00 57.07 54.79 3hg4 s TYR 134 Cb 0.03 -0.54 -0.00 0.00 0.35 0.00 0.00 41.96 41.80 3hg4 s TYR 134 CO 0.19 -0.02 0.36 0.00 -1.34 0.00 0.00 175.55 174.74 3hg4 n ALA 135 N 2.91 -0.01 -3.29 3.97 0.00 -0.08 -4.93 120.51 119.09 3hg4 n ALA 135 Ca -0.14 -1.46 -0.15 0.00 0.00 0.00 0.00 53.44 51.69 3hg4 n ALA 135 Cb 0.57 1.17 -0.15 0.00 0.00 0.00 0.00 19.45 21.04 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 -2.87 0.29 0.47 0.00 2.15 -1.26 -0.53 116.67 114.92 3hg4 s ASP 136 Ca 0.27 -0.02 0.16 0.00 0.43 0.00 0.00 52.55 53.39 3hg4 s ASP 136 Cb -0.00 -0.11 1.12 0.00 -0.30 0.00 0.00 42.92 43.63 3hg4 s ASP 136 CO 0.20 -0.04 2.04 1.62 -0.17 0.00 0.00 175.17 178.81 3hg4 h VAL 137 N 5.69 1.04 -1.80 1.11 3.04 -1.41 -0.12 116.25 123.80 3hg4 h VAL 137 Ca -0.35 -0.48 0.00 0.00 -1.01 0.00 0.00 66.70 64.86 3hg4 h VAL 137 Cb 1.17 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 3hg4 h VAL 137 CO 0.49 0.13 0.00 0.61 -1.01 0.00 0.00 177.57 177.80 3hg4 n GLY 138 N -1.10 0.51 0.16 3.17 0.00 -1.22 -3.34 105.19 103.37 3hg4 n GLY 138 Ca -0.03 -1.81 0.04 0.00 0.00 0.00 0.00 46.02 44.23 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 -5.06 1.61 2.35 -1.45 -2.30 115.58 110.74 3hg4 h ASN 139 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 3hg4 h ASN 139 Cb 0.00 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 38.18 3hg4 h ASN 139 CO 0.00 0.45 -0.60 -0.54 -1.65 0.00 0.00 177.43 175.09 3hg4 s LYS 140 N -3.17 0.49 0.91 0.81 1.02 -1.26 -1.56 119.74 116.98 3hg4 s LYS 140 Ca 0.03 -0.73 -0.11 0.00 0.02 0.00 0.00 55.97 55.18 3hg4 s LYS 140 Cb 0.09 0.18 0.14 0.00 -0.52 0.00 0.00 37.83 37.72 3hg4 s LYS 140 CO 0.72 -0.11 1.09 0.95 -0.92 0.00 0.00 175.35 177.09 3hg4 s THR 141 N -2.26 2.59 0.46 2.17 -4.23 0.11 -4.31 115.64 110.16 3hg4 s THR 141 Ca -0.08 0.19 0.11 0.00 -1.18 0.00 0.00 61.69 60.73 3hg4 s THR 141 Cb -0.04 -2.58 0.28 0.00 1.34 0.00 0.00 72.50 71.50 3hg4 s THR 141 CO -0.03 -0.25 2.08 0.00 -0.54 0.00 0.00 174.62 175.88 3hg4 n ALA 143 N -2.51 2.69 0.00 0.00 0.00 -1.26 -4.94 120.51 114.50 3hg4 n ALA 143 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3hg4 n ALA 143 Cb 0.11 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.26 1.08 3.97 0.00 0.00 0.24 -5.06 105.19 106.68 3hg4 n GLY 144 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 2.19 0.16 1.61 0.08 -1.26 -4.75 117.98 114.01 3hg4 s PHE 145 Ca 0.00 -0.00 -0.34 0.00 0.12 0.00 0.00 56.93 56.71 3hg4 s PHE 145 Cb 0.00 -3.08 -0.14 0.00 -0.57 0.00 0.00 43.02 39.24 3hg4 s PHE 145 CO 0.00 -1.52 1.57 -2.30 -0.10 0.00 0.00 175.22 172.87 3hg4 n PRO 146 N -2.81 2.13 -2.26 0.24 -0.02 -1.26 -0.71 135.00 130.31 3hg4 n PRO 146 Ca 0.12 0.77 -0.26 0.00 -2.02 0.00 0.00 63.50 62.11 3hg4 n PRO 146 Cb 0.60 -2.53 0.09 0.00 -0.02 0.00 0.00 33.50 31.64 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 0.87 1.72 0.00 -1.23 0.00 -0.60 -4.23 107.32 103.85 3hg4 s GLY 147 Ca 0.78 -1.13 0.17 0.00 0.00 0.00 0.00 44.72 44.54 3hg4 s GLY 147 CO 0.38 -0.65 0.84 1.44 0.00 0.00 0.00 173.10 175.11 3hg4 n SER 148 N -3.00 1.45 -4.67 1.64 7.64 -0.06 -4.84 113.62 111.79 3hg4 n SER 148 Ca 0.10 -1.22 -0.48 0.00 1.01 0.00 0.00 58.87 58.27 3hg4 n SER 148 Cb 0.60 0.61 -0.05 0.00 -1.01 0.00 0.00 64.21 64.36 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 -0.43 2.18 0.00 1.43 7.35 -0.91 0.30 117.46 127.36 3hg4 n PHE 149 Ca 0.06 0.25 0.00 0.00 -0.76 0.00 0.00 57.45 57.00 3hg4 n PHE 149 Cb 0.33 -2.55 0.00 0.00 0.35 0.00 0.00 39.48 37.61 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 3.69 1.78 0.16 7.13 0.00 -1.26 -4.86 105.19 111.83 3hg4 n GLY 150 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.28 1.61 4.01 0.15 -4.89 117.16 115.75 3hg4 n TYR 151 Ca 0.00 -0.53 0.02 0.00 -0.16 0.00 0.00 57.90 57.23 3hg4 n TYR 151 Cb 0.00 -0.09 0.16 0.00 -0.31 0.00 0.00 39.34 39.10 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 0.00 0.82 -0.20 -0.72 0.05 -1.81 0.18 116.97 115.29 3hg4 h TYR 152 Ca 0.00 0.03 -0.17 0.00 0.05 0.00 0.00 58.73 58.64 3hg4 h TYR 152 Cb 1.01 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.50 3hg4 h TYR 152 CO 0.03 0.34 -0.53 -0.44 -1.05 0.00 0.00 178.16 176.51 3hg4 h ASP 153 N 0.77 0.81 -0.27 3.88 3.32 -1.91 -1.04 116.42 121.99 3hg4 h ASP 153 Ca 0.38 -0.57 -0.19 0.00 0.02 0.00 0.00 57.03 56.67 3hg4 h ASP 153 Cb 0.34 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3hg4 h ASP 153 CO -0.24 1.24 -0.58 -0.29 -1.72 0.00 0.00 179.24 177.65 3hg4 h ILE 154 N 0.43 1.27 -0.73 0.35 2.10 -1.85 -2.16 117.51 116.91 3hg4 h ILE 154 Ca -0.01 -1.76 -0.03 0.00 1.08 0.00 0.00 64.86 64.13 3hg4 h ILE 154 Cb 1.14 1.68 -0.03 0.00 -1.09 0.00 0.00 36.82 38.51 3hg4 h ILE 154 CO 0.11 0.57 0.33 0.44 -1.08 0.00 0.00 178.15 178.53 3hg4 h ASP 155 N 0.66 0.98 -0.27 2.19 3.45 -0.65 0.29 116.42 123.07 3hg4 h ASP 155 Ca 0.00 -0.15 -0.02 0.00 0.43 0.00 0.00 57.03 57.30 3hg4 h ASP 155 Cb 1.20 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.70 3hg4 h ASP 155 CO 0.13 0.85 0.10 0.00 -1.57 0.00 0.00 179.24 178.75 3hg4 h ALA 156 N 1.16 0.35 -0.74 3.45 0.00 -1.19 -1.13 119.26 121.16 3hg4 h ALA 156 Ca 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hg4 h ALA 156 Cb 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3hg4 h ALA 156 CO -0.03 -0.03 0.33 0.37 0.00 0.00 0.00 179.25 179.89 3hg4 h GLN 157 N 0.28 1.08 -0.13 0.00 5.75 -1.11 -1.25 115.11 119.74 3hg4 h GLN 157 Ca 0.09 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 58.43 3hg4 h GLN 157 Cb 0.21 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 3hg4 h GLN 157 CO -0.01 0.86 0.03 1.15 -2.65 0.00 0.00 178.83 178.21 3hg4 h THR 158 N 1.05 0.95 -0.26 2.39 2.02 -0.31 0.34 112.91 119.07 3hg4 h THR 158 Ca 0.25 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.43 3hg4 h THR 158 Cb 0.15 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 3hg4 h THR 158 CO -0.03 0.01 0.08 -0.26 0.37 0.00 0.00 175.52 175.69 3hg4 h PHE 159 N 0.08 0.13 -0.12 3.16 0.04 -0.93 -0.93 116.94 118.39 3hg4 h PHE 159 Ca 0.06 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.84 3hg4 h PHE 159 Cb 0.05 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 3hg4 h PHE 159 CO -0.12 0.06 0.06 0.00 -0.60 0.00 0.00 178.31 177.71 3hg4 h ALA 160 N 1.17 0.14 -0.96 2.45 0.00 -1.10 -1.93 119.26 119.04 3hg4 h ALA 160 Ca 0.12 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.19 3hg4 h ALA 160 Cb 0.10 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 3hg4 h ALA 160 CO -0.13 -0.38 0.60 -0.44 0.00 0.00 0.00 179.25 178.90 3hg4 h ASP 161 N 0.14 0.71 0.85 0.00 5.19 -0.67 -0.13 116.42 122.50 3hg4 h ASP 161 Ca 0.05 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 3hg4 h ASP 161 Cb -0.00 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.44 3hg4 h ASP 161 CO -0.03 0.31 0.00 0.79 -3.12 0.00 0.00 179.24 177.20 3hg4 n TRP 162 N -4.63 0.28 -1.43 4.55 8.01 -0.37 -4.90 117.44 118.95 3hg4 n TRP 162 Ca 0.20 0.10 0.00 0.00 -1.31 0.00 0.00 57.50 56.49 3hg4 n TRP 162 Cb 0.53 -0.66 0.00 0.00 -2.01 0.00 0.00 31.31 29.17 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 0.69 0.40 3.77 6.99 0.00 -0.06 -4.17 105.19 112.81 3hg4 n GLY 163 Ca 0.05 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 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 2.58 -0.28 1.61 1.01 -0.76 -4.74 120.40 117.82 3hg4 s VAL 164 Ca 0.00 0.56 0.07 0.00 0.00 0.00 0.00 61.98 62.61 3hg4 s VAL 164 Cb 0.00 -3.35 -0.08 0.00 0.00 0.00 0.00 36.38 32.95 3hg4 s VAL 164 CO 0.00 0.12 0.27 0.47 0.00 0.00 0.00 175.10 175.96 3hg4 n ASP 165 N 0.53 0.76 -3.73 3.32 8.00 0.12 -4.72 116.55 120.83 3hg4 n ASP 165 Ca 0.01 -0.57 -0.13 0.00 0.71 0.00 0.00 54.79 54.81 3hg4 n ASP 165 Cb 0.42 1.05 -0.10 0.00 -0.02 0.00 0.00 41.12 42.47 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 -2.49 0.48 -0.11 0.64 0.20 -0.87 -0.97 118.68 115.55 3hg4 s LEU 166 Ca 0.02 0.70 0.01 0.00 0.69 0.00 0.00 54.13 55.54 3hg4 s LEU 166 Cb 0.05 1.41 0.02 0.00 -0.43 0.00 0.00 46.19 47.24 3hg4 s LEU 166 CO 0.28 -0.21 -0.12 -0.22 -0.29 0.00 0.00 176.35 175.79 3hg4 s LEU 167 N -0.09 1.53 -0.23 -0.68 2.96 0.11 -0.86 118.68 121.42 3hg4 s LEU 167 Ca -0.03 -0.39 -0.18 0.00 -0.22 0.00 0.00 54.13 53.32 3hg4 s LEU 167 Cb -0.03 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.63 3hg4 s LEU 167 CO 0.01 -0.04 0.50 -0.75 -1.32 0.00 0.00 176.35 174.75 3hg4 s LYS 168 N 1.31 4.12 -0.47 1.98 2.20 0.28 -0.61 119.74 128.55 3hg4 s LYS 168 Ca -0.01 0.34 0.02 0.00 -0.36 0.00 0.00 55.97 55.96 3hg4 s LYS 168 Cb -0.14 -3.61 0.12 0.00 -1.51 0.00 0.00 37.83 32.70 3hg4 s LYS 168 CO -0.05 -0.25 0.22 0.12 -0.36 0.00 0.00 175.35 175.03 3hg4 s PHE 169 N 1.97 3.46 0.81 4.03 5.36 0.27 -0.91 117.98 132.97 3hg4 s PHE 169 Ca 0.22 -2.94 -0.11 0.00 -0.96 0.00 0.00 56.93 53.14 3hg4 s PHE 169 Cb -0.15 -2.98 0.08 0.00 -0.34 0.00 0.00 43.02 39.62 3hg4 s PHE 169 CO 0.09 -0.85 1.09 0.34 -1.46 0.00 0.00 175.22 174.43 3hg4 s ASP 170 N 0.54 4.29 -0.05 6.13 -1.08 0.31 -2.49 116.67 124.33 3hg4 s ASP 170 Ca 0.14 1.42 0.12 0.00 -0.52 0.00 0.00 52.55 53.70 3hg4 s ASP 170 Cb -0.22 -2.15 0.34 0.00 -1.46 0.00 0.00 42.92 39.43 3hg4 s ASP 170 CO -0.04 -2.11 1.28 0.61 0.52 0.00 0.00 175.17 175.43 3hg4 n GLY 171 N -1.76 3.12 3.73 2.66 0.00 -1.26 -1.15 105.19 110.53 3hg4 n GLY 171 Ca 0.07 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.80 -1.90 -3.95 0.00 4.01 -1.26 -3.39 117.16 106.87 3hg4 n TYR 173 Ca 0.09 0.82 -0.34 0.00 -0.16 0.00 0.00 57.90 58.31 3hg4 n TYR 173 Cb 0.53 -3.64 -0.14 0.00 -0.31 0.00 0.00 39.34 35.78 3hg4 n TYR 173 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hg4 h ASP 175 N 8.00 0.00 -5.00 0.00 3.04 -1.95 -3.46 116.42 117.05 3hg4 h ASP 175 Ca -0.28 0.00 -0.17 0.00 -3.24 0.00 0.00 57.03 53.33 3hg4 h ASP 175 Cb 1.09 0.00 -0.18 0.00 -1.04 0.00 0.00 39.33 39.20 3hg4 h ASP 175 CO 0.56 0.00 -0.70 -0.94 -2.04 0.00 0.00 179.24 176.12 3hg4 s SER 176 N -4.97 0.54 0.23 4.15 1.04 -1.26 -5.04 113.70 108.40 3hg4 s SER 176 Ca 0.08 -0.76 -0.06 0.00 0.48 0.00 0.00 55.95 55.69 3hg4 s SER 176 Cb 0.10 0.13 0.22 0.00 0.10 0.00 0.00 66.02 66.57 3hg4 s SER 176 CO 0.58 -0.42 1.81 0.25 0.98 0.00 0.00 173.24 176.44 3hg4 h LEU 177 N 3.85 1.05 -0.13 2.42 7.12 -1.97 -2.22 115.31 125.43 3hg4 h LEU 177 Ca -0.34 -0.15 -0.03 0.00 0.13 0.00 0.00 57.88 57.50 3hg4 h LEU 177 Cb 1.18 -0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 41.03 3hg4 h LEU 177 CO 0.53 0.92 -0.03 -0.08 -0.13 0.00 0.00 178.44 179.66 3hg4 h GLU 178 N 1.13 0.24 -0.36 1.25 4.81 -2.00 -2.62 114.58 117.02 3hg4 h GLU 178 Ca 0.26 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 3hg4 h GLU 178 Cb 0.18 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3hg4 h GLU 178 CO -0.03 0.53 0.24 -0.91 -0.73 0.00 0.00 179.01 178.12 3hg4 h ASN 179 N -0.07 0.29 0.57 1.04 2.35 -1.96 -1.90 115.58 115.90 3hg4 h ASN 179 Ca 0.03 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 3hg4 h ASN 179 Cb 0.44 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.75 3hg4 h ASN 179 CO 0.01 0.20 -0.27 0.25 -1.65 0.00 0.00 177.43 175.96 3hg4 h LEU 180 N 0.33 -0.65 0.13 1.61 5.85 -1.22 -1.46 115.31 119.90 3hg4 h LEU 180 Ca 0.15 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3hg4 h LEU 180 Cb 0.19 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3hg4 h LEU 180 CO -0.03 -0.33 -0.17 0.00 -0.34 0.00 0.00 178.44 177.57 3hg4 h ALA 181 N -0.70 -0.30 -0.94 1.25 0.00 -1.35 -2.25 119.26 114.96 3hg4 h ALA 181 Ca -0.08 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3hg4 h ALA 181 Cb 0.65 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3hg4 h ALA 181 CO 0.13 -0.70 0.61 -0.44 0.00 0.00 0.00 179.25 178.85 3hg4 h ASP 182 N -0.34 1.00 -0.20 0.00 3.32 -1.42 -1.84 116.42 116.93 3hg4 h ASP 182 Ca 0.01 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3hg4 h ASP 182 Cb 0.34 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3hg4 h ASP 182 CO -0.07 0.67 0.03 1.23 -1.72 0.00 0.00 179.24 179.39 3hg4 h GLY 183 N 1.16 0.36 1.19 2.75 0.00 -1.07 0.18 103.07 107.63 3hg4 h GLY 183 Ca 0.38 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 3hg4 h GLY 183 CO -0.13 0.22 0.20 -0.97 0.00 0.00 0.00 176.54 175.86 3hg4 h TYR 184 N 0.13 1.04 -0.09 5.60 0.05 -1.24 -0.92 116.97 121.54 3hg4 h TYR 184 Ca 0.06 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 3hg4 h TYR 184 Cb 0.31 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 3hg4 h TYR 184 CO 0.02 0.83 -0.04 0.87 -1.05 0.00 0.00 178.16 178.80 3hg4 h LYS 185 N 0.98 0.18 -0.11 4.88 1.57 -1.27 -2.17 116.57 120.63 3hg4 h LYS 185 Ca 0.22 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 3hg4 h LYS 185 Cb 0.28 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 3hg4 h LYS 185 CO -0.01 0.53 -0.21 1.25 -0.57 0.00 0.00 179.45 180.44 3hg4 h HIS 186 N -0.18 -0.56 -0.79 -1.35 2.76 -0.52 -1.08 115.15 113.44 3hg4 h HIS 186 Ca 0.02 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 3hg4 h HIS 186 Cb 0.48 0.26 -0.04 0.00 1.55 0.00 0.00 27.41 29.66 3hg4 h HIS 186 CO 0.06 -0.29 0.36 1.98 -1.30 0.00 0.00 177.93 178.75 3hg4 h MET 187 N -0.28 1.15 -0.16 5.26 1.85 -1.24 0.85 114.93 122.36 3hg4 h MET 187 Ca 0.09 -0.18 0.03 0.00 -0.61 0.00 0.00 59.70 59.03 3hg4 h MET 187 Cb 0.42 -0.20 -0.03 0.00 0.43 0.00 0.00 31.60 32.22 3hg4 h MET 187 CO -0.27 0.90 -0.01 1.03 -0.40 0.00 0.00 176.91 178.16 3hg4 h SER 188 N 1.12 -0.08 -0.31 1.39 0.87 -0.97 -0.04 113.55 115.53 3hg4 h SER 188 Ca 0.27 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.78 3hg4 h SER 188 Cb 0.14 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3hg4 h SER 188 CO -0.03 -0.02 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.07 3hg4 h LEU 189 N 0.04 0.73 -0.49 2.23 3.38 -0.96 -2.73 115.31 117.52 3hg4 h LEU 189 Ca 0.08 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3hg4 h LEU 189 Cb 0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3hg4 h LEU 189 CO -0.13 0.87 0.09 0.00 0.09 0.00 0.00 178.44 179.36 3hg4 h ALA 190 N 1.20 0.65 -0.95 1.53 0.00 -0.37 -2.34 119.26 118.97 3hg4 h ALA 190 Ca 0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hg4 h ALA 190 Cb 0.58 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3hg4 h ALA 190 CO 0.04 0.38 0.58 -0.07 0.00 0.00 0.00 179.25 180.18 3hg4 h LEU 191 N 0.69 1.14 -0.72 0.00 3.38 -0.97 -2.81 115.31 116.02 3hg4 h LEU 191 Ca 0.15 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3hg4 h LEU 191 Cb 0.38 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3hg4 h LEU 191 CO 0.01 0.86 0.45 -1.13 0.09 0.00 0.00 178.44 178.72 3hg4 h ASN 192 N 1.31 0.74 0.74 -0.43 -0.73 -1.19 -2.61 115.58 113.42 3hg4 h ASN 192 Ca 0.34 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.51 3hg4 h ASN 192 Cb -0.07 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.36 3hg4 h ASN 192 CO -0.07 0.52 0.00 0.54 -0.37 0.00 0.00 177.43 178.05 3hg4 n ARG 193 N -4.65 0.16 0.21 6.67 1.74 -0.91 -2.25 116.66 117.63 3hg4 n ARG 193 Ca 0.08 0.37 0.07 0.00 -0.77 0.00 0.00 57.85 57.60 3hg4 n ARG 193 Cb 0.08 -1.79 0.44 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.83 0.00 0.55 1.35 -1.34 -3.47 112.91 110.84 3hg4 h THR 194 Ca 0.00 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 3hg4 h THR 194 Cb 0.37 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3hg4 h THR 194 CO 0.00 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 3hg4 n GLY 195 N -0.08 2.01 3.78 5.82 0.00 -0.95 -5.03 105.19 110.74 3hg4 n GLY 195 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.27 4.18 -0.29 1.61 3.52 -1.26 -5.03 118.95 121.41 3hg4 s ARG 196 Ca 0.00 0.53 -0.28 0.00 -0.13 0.00 0.00 55.73 55.85 3hg4 s ARG 196 Cb 0.00 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 30.05 3hg4 s ARG 196 CO 0.00 0.45 1.95 -1.12 -0.81 0.00 0.00 175.30 175.77 3hg4 s SER 197 N -0.37 5.73 -0.12 -2.12 0.01 -1.26 -4.85 113.70 110.72 3hg4 s SER 197 Ca 0.26 1.51 -0.01 0.00 1.31 0.00 0.00 55.95 59.03 3hg4 s SER 197 Cb -0.17 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.57 3hg4 s SER 197 CO 0.14 -1.80 -0.06 -0.63 0.41 0.00 0.00 173.24 171.30 3hg4 s ILE 198 N 7.41 0.95 0.20 1.44 1.01 -1.26 -4.67 121.20 126.28 3hg4 s ILE 198 Ca 0.87 -0.30 -0.31 0.00 0.00 0.00 0.00 60.65 60.91 3hg4 s ILE 198 Cb -0.26 -1.02 -0.10 0.00 0.01 0.00 0.00 42.46 41.09 3hg4 s ILE 198 CO 0.34 0.30 1.50 -0.69 0.00 0.00 0.00 174.94 176.40 3hg4 s VAL 199 N 1.73 2.68 -0.31 2.92 1.01 -0.14 -4.84 120.40 123.45 3hg4 s VAL 199 Ca 0.04 0.52 -0.00 0.00 0.00 0.00 0.00 61.98 62.54 3hg4 s VAL 199 Cb -0.13 -3.33 0.07 0.00 0.00 0.00 0.00 36.38 32.98 3hg4 s VAL 199 CO -0.08 0.06 0.01 -0.47 0.00 0.00 0.00 175.10 174.62 3hg4 s TYR 200 N 0.64 3.36 -0.23 5.22 5.04 -1.26 0.09 117.35 130.21 3hg4 s TYR 200 Ca 0.65 -2.18 -0.08 0.00 -2.44 0.00 0.00 57.07 53.02 3hg4 s TYR 200 Cb -0.42 -2.31 -0.04 0.00 0.35 0.00 0.00 41.96 39.54 3hg4 s TYR 200 CO 0.36 -0.86 0.09 0.45 -1.34 0.00 0.00 175.55 174.25 3hg4 s SER 201 N 1.25 5.49 -0.05 4.32 0.15 0.23 -0.17 113.70 124.92 3hg4 s SER 201 Ca -0.03 -0.06 0.05 0.00 0.70 0.00 0.00 55.95 56.62 3hg4 s SER 201 Cb -0.20 -1.97 -0.02 0.00 -1.71 0.00 0.00 66.02 62.11 3hg4 s SER 201 CO -0.03 0.05 -0.20 0.00 1.20 0.00 0.00 173.24 174.26 3hg4 n GLU 203 N 2.61 3.64 -0.14 0.00 4.71 -1.04 -0.76 120.64 129.66 3hg4 n GLU 203 Ca -0.17 -2.66 -0.11 0.00 -0.01 0.00 0.00 57.16 54.21 3hg4 n GLU 203 Cb 0.52 -1.89 -0.06 0.00 -1.01 0.00 0.00 31.44 29.00 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 3.78 -1.39 -0.60 -0.32 2.91 -1.82 -2.72 115.95 115.78 3hg4 h TRP 204 Ca 0.00 0.07 -0.08 0.00 1.13 0.00 0.00 58.89 60.01 3hg4 h TRP 204 Cb 1.42 0.67 -0.02 0.00 -0.51 0.00 0.00 29.16 30.71 3hg4 h TRP 204 CO 0.75 -0.46 0.05 -1.35 -1.03 0.00 0.00 178.44 176.40 3hg4 h PRO 205 N -0.34 1.00 -0.57 2.65 0.11 -1.85 -2.39 132.00 130.61 3hg4 h PRO 205 Ca 0.12 -0.28 0.08 0.00 0.11 0.00 0.00 66.00 66.03 3hg4 h PRO 205 Cb 0.59 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.52 3hg4 h PRO 205 CO -0.60 0.95 0.24 1.25 -0.21 0.00 0.00 178.00 179.64 3hg4 h LEU 206 N 0.93 0.28 0.00 2.35 5.85 -1.20 0.12 115.31 123.64 3hg4 h LEU 206 Ca 0.18 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3hg4 h LEU 206 Cb 0.47 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3hg4 h LEU 206 CO 0.02 0.18 -0.24 -1.22 -0.34 0.00 0.00 178.44 176.84 3hg4 n TYR 207 N -4.96 0.06 -0.06 1.25 4.01 -1.05 -3.81 117.16 112.61 3hg4 n TYR 207 Ca 0.07 0.02 -0.22 0.00 -0.16 0.00 0.00 57.90 57.61 3hg4 n TYR 207 Cb 0.22 -0.42 -0.13 0.00 -0.31 0.00 0.00 39.34 38.71 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 -1.56 0.66 -0.23 -0.72 1.56 -0.91 -4.64 117.12 111.28 3hg4 n MET 208 Ca 0.06 0.42 -0.05 0.00 -0.27 0.00 0.00 57.70 57.85 3hg4 n MET 208 Cb 0.35 -1.72 -0.04 0.00 2.15 0.00 0.00 33.22 33.95 3hg4 n MET 208 CO 0.00 0.00 0.00 0.91 -0.73 0.00 0.00 175.97 176.15 3hg4 n TRP 209 N -3.98 -0.21 -0.27 1.12 5.03 0.39 -0.95 117.44 118.58 3hg4 n TRP 209 Ca -0.33 0.70 0.21 0.00 3.03 0.00 0.00 57.50 61.11 3hg4 n TRP 209 Cb 0.86 -0.57 0.53 0.00 -1.03 0.00 0.00 31.31 31.10 3hg4 n TRP 209 CO 0.00 0.00 0.00 -1.00 -0.03 0.00 0.00 177.69 176.66 3hg4 h PRO 210 N 0.00 0.36 0.05 -0.99 0.13 -1.82 -3.00 132.00 126.73 3hg4 h PRO 210 Ca 0.11 -0.02 -0.37 0.00 -0.87 0.00 0.00 66.00 64.84 3hg4 h PRO 210 Cb 0.25 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.25 3hg4 h PRO 210 CO -0.53 0.24 -2.14 1.19 -0.23 0.00 0.00 178.00 176.53 3hg4 n PHE 211 N -4.52 0.67 -3.69 1.56 3.72 -0.12 -5.01 117.46 110.06 3hg4 n PHE 211 Ca 0.21 0.17 -0.11 0.00 -0.05 0.00 0.00 57.45 57.67 3hg4 n PHE 211 Cb 0.79 -1.08 -0.10 0.00 -0.94 0.00 0.00 39.48 38.15 3hg4 n PHE 211 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 3hg4 s GLN 212 N -2.52 0.47 0.16 -1.08 -0.44 -0.68 -5.14 119.66 110.43 3hg4 s GLN 212 Ca -0.29 0.80 -0.30 0.00 -2.50 0.00 0.00 55.36 53.06 3hg4 s GLN 212 Cb 0.08 0.08 -0.08 0.00 -1.64 0.00 0.00 33.01 31.45 3hg4 s GLN 212 CO 0.66 -0.13 1.28 -1.59 0.50 0.00 0.00 175.29 176.02 3hg4 s LYS 213 N 1.08 4.40 0.52 1.67 -2.85 -1.26 -3.35 119.74 119.96 3hg4 s LYS 213 Ca -0.07 1.98 -0.22 0.00 -1.00 0.00 0.00 55.97 56.66 3hg4 s LYS 213 Cb -0.06 -3.24 -0.05 0.00 -2.06 0.00 0.00 37.83 32.42 3hg4 s LYS 213 CO -0.10 -0.25 1.31 -2.14 0.10 0.00 0.00 175.35 174.27 3hg4 s PRO 214 N 0.25 3.29 -0.46 1.78 0.02 -1.26 -5.00 135.00 133.62 3hg4 s PRO 214 Ca 0.58 2.11 -0.17 0.00 0.02 0.00 0.00 61.00 63.54 3hg4 s PRO 214 Cb -0.35 -2.29 0.05 0.00 0.02 0.00 0.00 34.50 31.93 3hg4 s PRO 214 CO 0.35 -1.03 0.46 1.21 -0.33 0.00 0.00 177.00 177.66 3hg4 s ASN 215 N -1.06 6.18 0.27 2.53 3.84 -1.26 -4.97 114.94 120.46 3hg4 s ASN 215 Ca 0.70 -0.99 0.13 0.00 0.21 0.00 0.00 52.86 52.90 3hg4 s ASN 215 Cb -0.37 -2.22 0.26 0.00 -0.55 0.00 0.00 41.25 38.37 3hg4 s ASN 215 CO 0.44 -0.67 1.54 1.88 -2.79 0.00 0.00 177.10 177.50 3hg4 h TYR 216 N 8.80 0.00 -0.86 0.43 0.05 -1.94 -1.84 116.97 121.59 3hg4 h TYR 216 Ca -0.27 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.48 3hg4 h TYR 216 Cb 1.11 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.81 3hg4 h TYR 216 CO 0.65 0.61 0.42 1.15 -1.05 0.00 0.00 178.16 179.95 3hg4 h THR 217 N 0.00 1.26 0.09 -2.88 2.02 -1.97 0.16 112.91 111.59 3hg4 h THR 217 Ca -0.01 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 3hg4 h THR 217 Cb 1.26 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3hg4 h THR 217 CO 0.08 0.31 -0.04 -0.08 0.37 0.00 0.00 175.52 176.16 3hg4 h GLU 218 N 1.23 -0.11 -0.30 6.66 4.81 -1.92 -2.41 114.58 122.54 3hg4 h GLU 218 Ca 0.30 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.58 3hg4 h GLU 218 Cb 0.11 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 3hg4 h GLU 218 CO -0.04 0.25 0.03 0.82 -0.73 0.00 0.00 179.01 179.34 3hg4 h ILE 219 N -0.49 0.82 -0.99 2.32 2.04 -1.27 -2.20 117.51 117.74 3hg4 h ILE 219 Ca -0.01 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 65.86 3hg4 h ILE 219 Cb 0.41 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 3hg4 h ILE 219 CO 0.02 0.02 0.64 -0.09 0.00 0.00 0.00 178.15 178.75 3hg4 h ARG 220 N 0.13 1.14 -0.54 2.37 2.43 -1.01 0.70 114.38 119.60 3hg4 h ARG 220 Ca 0.14 -0.07 0.15 0.00 -0.81 0.00 0.00 59.98 59.39 3hg4 h ARG 220 Cb 0.17 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3hg4 h ARG 220 CO -0.21 0.75 0.39 0.37 -1.51 0.00 0.00 179.97 179.76 3hg4 h GLN 221 N 1.17 0.04 0.00 0.20 4.15 -0.86 0.25 115.11 120.07 3hg4 h GLN 221 Ca 0.42 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.84 3hg4 h GLN 221 Cb 0.14 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3hg4 h GLN 221 CO -0.16 0.03 -1.50 0.66 -1.93 0.00 0.00 178.83 175.93 3hg4 n TYR 222 N -4.39 0.00 -4.62 3.99 4.01 -0.42 -4.56 117.16 111.18 3hg4 n TYR 222 Ca 0.10 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.60 3hg4 n TYR 222 Cb 0.59 -0.26 -0.14 0.00 -0.31 0.00 0.00 39.34 39.22 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 5.13 0.45 -5.19 0.00 -0.26 -0.73 -2.51 115.58 112.47 3hg4 h ASN 224 Ca -0.40 -0.48 -0.07 0.00 -0.56 0.00 0.00 56.30 54.79 3hg4 h ASN 224 Cb 1.16 -0.15 -0.11 0.00 -1.06 0.00 0.00 38.32 38.16 3hg4 h ASN 224 CO 0.45 1.38 -0.18 -1.38 -1.06 0.00 0.00 177.43 176.64 3hg4 s HIS 225 N -2.66 0.20 -0.11 1.19 -3.43 -1.09 -1.30 115.29 108.09 3hg4 s HIS 225 Ca -0.04 -0.56 -0.06 0.00 -0.80 0.00 0.00 55.06 53.60 3hg4 s HIS 225 Cb 0.07 0.12 0.05 0.00 -1.43 0.00 0.00 32.58 31.38 3hg4 s HIS 225 CO 0.89 -0.80 0.27 1.67 -2.00 0.00 0.00 174.74 174.77 3hg4 s TRP 226 N -3.93 -0.37 -0.13 0.38 -2.14 -0.72 -0.53 118.94 111.50 3hg4 s TRP 226 Ca 0.14 0.85 -0.29 0.00 2.66 0.00 0.00 56.10 59.46 3hg4 s TRP 226 Cb 0.02 0.08 -0.01 0.00 -3.10 0.00 0.00 33.47 30.46 3hg4 s TRP 226 CO -0.01 -0.25 1.05 1.03 -2.66 0.00 0.00 176.95 176.11 3hg4 s ARG 227 N 1.24 4.38 -0.09 3.25 1.81 0.06 -0.80 118.95 128.80 3hg4 s ARG 227 Ca -0.09 1.43 0.17 0.00 -1.72 0.00 0.00 55.73 55.52 3hg4 s ARG 227 Cb -0.10 -3.57 -0.23 0.00 -0.45 0.00 0.00 34.95 30.60 3hg4 s ARG 227 CO -0.09 -0.41 0.43 0.09 -0.68 0.00 0.00 175.30 174.65 3hg4 n ASN 228 N 5.34 0.43 -4.35 0.23 3.02 -1.22 -2.25 115.26 116.46 3hg4 n ASN 228 Ca 0.10 0.20 -0.18 0.00 -0.03 0.00 0.00 54.58 54.67 3hg4 n ASN 228 Cb 0.48 0.61 -0.10 0.00 -0.61 0.00 0.00 39.78 40.16 3hg4 n ASN 228 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3hg4 s PHE 229 N -2.70 1.62 0.68 3.10 2.99 -1.26 -4.16 117.98 118.24 3hg4 s PHE 229 Ca -0.07 -1.00 -0.17 0.00 0.00 0.00 0.00 56.93 55.69 3hg4 s PHE 229 Cb 0.08 -0.97 -0.02 0.00 0.00 0.00 0.00 43.02 42.11 3hg4 s PHE 229 CO 0.83 -0.12 0.88 0.00 -0.00 0.00 0.00 175.22 176.82 3hg4 n ALA 230 N -0.47 -0.35 -1.61 5.36 0.00 -1.26 -4.86 120.51 117.32 3hg4 n ALA 230 Ca -0.03 -0.14 -0.51 0.00 0.00 0.00 0.00 53.44 52.76 3hg4 n ALA 230 Cb 0.65 -2.06 -0.06 0.00 0.00 0.00 0.00 19.45 17.98 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 -1.16 1.94 -4.74 0.00 9.92 -1.26 -4.96 116.55 116.30 3hg4 n ASP 231 Ca 0.13 1.11 -0.35 0.00 -0.53 0.00 0.00 54.79 55.15 3hg4 n ASP 231 Cb 0.49 -1.24 0.06 0.00 -0.64 0.00 0.00 41.12 39.78 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 0.56 2.50 0.14 0.53 2.07 -1.26 -5.07 121.20 120.67 3hg4 s ILE 232 Ca 0.83 0.29 0.02 0.00 -1.41 0.00 0.00 60.65 60.38 3hg4 s ILE 232 Cb -0.89 -3.01 -0.01 0.00 0.13 0.00 0.00 42.46 38.68 3hg4 s ILE 232 CO 0.45 -0.09 0.07 -0.90 -1.91 0.00 0.00 174.94 172.55 3hg4 n ASP 233 N -2.02 0.69 -3.58 4.50 5.68 -1.26 -4.97 116.55 115.59 3hg4 n ASP 233 Ca 0.14 -1.80 -0.41 0.00 -0.50 0.00 0.00 54.79 52.22 3hg4 n ASP 233 Cb 0.50 0.44 -0.01 0.00 -1.14 0.00 0.00 41.12 40.91 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 -2.04 6.96 -3.69 -1.12 -0.08 -1.26 -4.81 116.55 110.51 3hg4 n ASP 234 Ca -0.01 -3.02 -0.15 0.00 -1.51 0.00 0.00 54.79 50.11 3hg4 n ASP 234 Cb 0.22 -1.45 -0.08 0.00 2.34 0.00 0.00 41.12 42.15 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 1.02 -0.38 0.19 1.67 1.04 -1.26 -3.86 113.70 112.12 3hg4 s SER 235 Ca 0.52 0.43 -0.10 0.00 0.48 0.00 0.00 55.95 57.28 3hg4 s SER 235 Cb 0.15 0.51 0.09 0.00 0.10 0.00 0.00 66.02 66.87 3hg4 s SER 235 CO -0.06 -0.43 1.70 -0.25 0.98 0.00 0.00 173.24 175.18 3hg4 h TRP 236 N 3.95 1.11 -0.81 5.02 -0.00 -1.90 -2.84 115.95 120.49 3hg4 h TRP 236 Ca -0.28 -0.13 0.20 0.00 -0.00 0.00 0.00 58.89 58.67 3hg4 h TRP 236 Cb 1.17 -0.31 -0.13 0.00 -0.00 0.00 0.00 29.16 29.89 3hg4 h TRP 236 CO 0.46 0.92 0.17 -0.22 -0.00 0.00 0.00 178.44 179.77 3hg4 h LYS 237 N 0.98 0.21 -0.12 2.65 3.64 -1.96 -0.34 116.57 121.62 3hg4 h LYS 237 Ca 0.21 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3hg4 h LYS 237 Cb 0.37 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3hg4 h LYS 237 CO 0.00 0.14 0.03 1.03 -2.27 0.00 0.00 179.45 178.38 3hg4 h SER 238 N 0.21 0.19 -0.26 4.20 0.87 -1.85 -1.46 113.55 115.45 3hg4 h SER 238 Ca 0.48 -0.24 0.05 0.00 -1.23 0.00 0.00 61.79 60.85 3hg4 h SER 238 Cb 0.89 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.75 3hg4 h SER 238 CO -0.61 0.38 -0.03 0.40 -0.53 0.00 0.00 176.83 176.45 3hg4 h ILE 239 N -0.01 0.78 -0.33 2.23 1.08 -1.16 -2.10 117.51 118.01 3hg4 h ILE 239 Ca 0.04 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.53 3hg4 h ILE 239 Cb 0.26 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 34.70 3hg4 h ILE 239 CO 0.00 0.01 0.10 0.11 -0.69 0.00 0.00 178.15 177.68 3hg4 h LYS 240 N 0.05 0.23 -0.60 2.37 1.57 -0.98 -1.24 116.57 117.97 3hg4 h LYS 240 Ca 0.13 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 3hg4 h LYS 240 Cb 0.18 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3hg4 h LYS 240 CO -0.24 0.15 0.12 0.66 -0.57 0.00 0.00 179.45 179.58 3hg4 h SER 241 N 0.24 0.89 -0.44 0.86 4.64 -1.03 0.81 113.55 119.52 3hg4 h SER 241 Ca 0.15 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 3hg4 h SER 241 Cb 0.14 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3hg4 h SER 241 CO -0.17 0.88 0.04 0.40 -0.87 0.00 0.00 176.83 177.11 3hg4 h ILE 242 N 0.90 1.25 -0.20 0.95 2.04 -1.14 0.17 117.51 121.47 3hg4 h ILE 242 Ca 0.19 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 3hg4 h ILE 242 Cb 0.35 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3hg4 h ILE 242 CO 0.00 0.33 0.11 -0.07 0.00 0.00 0.00 178.15 178.52 3hg4 h LEU 243 N 0.60 0.25 -1.10 1.44 3.38 -0.88 -1.13 115.31 117.88 3hg4 h LEU 243 Ca 0.13 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3hg4 h LEU 243 Cb 0.43 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3hg4 h LEU 243 CO 0.01 0.27 0.13 0.44 0.09 0.00 0.00 178.44 179.39 3hg4 h ASP 244 N 0.21 0.72 -0.42 -0.43 3.32 -0.71 -1.12 116.42 117.99 3hg4 h ASP 244 Ca 0.07 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 3hg4 h ASP 244 Cb 0.08 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3hg4 h ASP 244 CO -0.01 0.70 0.09 -0.50 -1.72 0.00 0.00 179.24 177.80 3hg4 h TRP 245 N 0.75 0.72 -0.22 4.55 6.55 -0.47 -1.76 115.95 126.07 3hg4 h TRP 245 Ca 0.17 -0.09 -0.02 0.00 0.95 0.00 0.00 58.89 59.89 3hg4 h TRP 245 Cb 0.26 -0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 28.35 3hg4 h TRP 245 CO 0.01 0.69 0.05 1.15 -1.05 0.00 0.00 178.44 179.29 3hg4 h THR 246 N 0.55 1.22 -0.18 1.49 2.02 -0.84 -2.23 112.91 114.93 3hg4 h THR 246 Ca 0.13 -0.71 -0.14 0.00 0.77 0.00 0.00 66.41 66.46 3hg4 h THR 246 Cb 0.34 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 3hg4 h THR 246 CO 0.00 0.22 -0.47 0.77 0.37 0.00 0.00 175.52 176.42 3hg4 h SER 247 N 0.17 0.50 -0.12 4.18 4.64 -1.22 -1.36 113.55 120.35 3hg4 h SER 247 Ca 0.07 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 61.07 3hg4 h SER 247 Cb 0.30 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3hg4 h SER 247 CO 0.00 0.90 -0.14 0.15 -0.87 0.00 0.00 176.83 176.87 3hg4 h PHE 248 N 0.37 0.52 -0.69 4.77 3.57 -1.30 -3.07 116.94 121.11 3hg4 h PHE 248 Ca 0.02 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3hg4 h PHE 248 Cb 0.97 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.57 3hg4 h PHE 248 CO 0.03 0.60 0.00 0.09 -2.23 0.00 0.00 178.31 176.81 3hg4 n ASN 249 N -4.20 4.41 0.24 0.41 3.02 -0.84 -4.71 115.26 113.59 3hg4 n ASN 249 Ca 0.00 -2.25 0.09 0.00 -0.03 0.00 0.00 54.58 52.40 3hg4 n ASN 249 Cb 0.33 -0.54 0.59 0.00 -0.61 0.00 0.00 39.78 39.55 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 4.16 0.00 -0.17 3.52 3.07 -1.15 -0.83 115.11 123.71 3hg4 h GLN 250 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.75 3hg4 h GLN 250 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.80 3hg4 h GLN 250 CO 0.13 0.20 0.11 0.93 0.09 0.00 0.00 178.83 180.29 3hg4 h GLU 251 N 0.00 0.20 0.04 0.06 5.08 -1.85 -2.50 114.58 115.60 3hg4 h GLU 251 Ca -0.00 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.06 3hg4 h GLU 251 Cb 0.46 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 3hg4 h GLU 251 CO 0.03 0.13 -1.59 0.00 -1.00 0.00 0.00 179.01 176.58 3hg4 h ARG 252 N 0.20 0.08 0.00 2.33 3.08 -1.53 -3.43 114.38 115.11 3hg4 h ARG 252 Ca 0.07 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3hg4 h ARG 252 Cb 0.02 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3hg4 h ARG 252 CO -0.01 0.77 -1.30 0.44 -1.07 0.00 0.00 179.97 178.80 3hg4 n ILE 253 N -3.22 0.09 -0.04 2.04 -5.35 -1.09 -4.74 119.36 107.05 3hg4 n ILE 253 Ca -0.16 -0.16 -0.12 0.00 -0.27 0.00 0.00 62.75 62.04 3hg4 n ILE 253 Cb 1.03 0.08 -0.07 0.00 -1.74 0.00 0.00 39.64 38.94 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 1.26 0.00 7.28 2.07 -1.71 -3.25 116.25 121.89 3hg4 h VAL 254 Ca -0.04 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3hg4 h VAL 254 Cb 0.53 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3hg4 h VAL 254 CO 0.00 0.24 -0.03 0.44 0.02 0.00 0.00 177.57 178.24 3hg4 h ASP 255 N -0.05 0.00 0.54 0.57 3.32 -1.86 -3.06 116.42 115.88 3hg4 h ASP 255 Ca 0.03 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.92 3hg4 h ASP 255 Cb 0.38 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3hg4 h ASP 255 CO 0.01 0.03 -0.74 1.62 -1.72 0.00 0.00 179.24 178.44 3hg4 h VAL 256 N 0.00 1.46 -4.02 -1.35 3.04 -1.85 -3.45 116.25 110.08 3hg4 h VAL 256 Ca -0.00 -2.35 -0.53 0.00 -1.01 0.00 0.00 66.70 62.80 3hg4 h VAL 256 Cb 0.71 2.27 0.11 0.00 -2.01 0.00 0.00 31.29 32.36 3hg4 h VAL 256 CO 0.00 0.69 0.58 0.00 -1.01 0.00 0.00 177.57 177.83 3hg4 s ALA 257 N -3.44 2.94 0.00 3.17 0.00 -1.16 -4.92 121.76 118.35 3hg4 s ALA 257 Ca -0.03 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.14 3hg4 s ALA 257 Cb 0.11 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3hg4 s ALA 257 CO 0.81 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3hg4 n GLY 258 N 0.62 0.19 3.66 0.00 0.00 -0.26 -4.60 105.19 104.81 3hg4 n GLY 258 Ca 0.08 -1.07 -0.59 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.55 0.70 -0.04 1.61 -0.02 -1.26 -0.59 135.00 134.87 3hg4 n PRO 259 Ca 0.00 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3hg4 n PRO 259 Cb 0.00 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 3.40 1.02 3.19 -1.23 0.00 0.92 -4.84 105.19 107.66 3hg4 n GLY 260 Ca 0.25 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.93 -0.92 0.07 -0.02 0.00 0.25 -0.49 107.32 104.27 3hg4 s GLY 261 Ca 0.00 1.84 0.08 0.00 0.00 0.00 0.00 44.72 46.63 3hg4 s GLY 261 CO 0.00 3.28 -0.20 -0.98 0.00 0.00 0.00 173.10 175.19 3hg4 s TRP 262 N 2.84 1.75 0.19 1.90 0.52 -0.42 -1.11 118.94 124.61 3hg4 s TRP 262 Ca 0.17 -0.39 -0.30 0.00 0.02 0.00 0.00 56.10 55.59 3hg4 s TRP 262 Cb -0.15 -1.00 -0.08 0.00 -1.15 0.00 0.00 33.47 31.09 3hg4 s TRP 262 CO -0.20 0.14 1.26 -0.80 0.02 0.00 0.00 176.95 177.37 3hg4 s ASN 263 N -1.52 6.98 -0.32 2.95 0.01 -1.26 -1.76 114.94 120.01 3hg4 s ASN 263 Ca 0.06 2.32 -0.03 0.00 -0.71 0.00 0.00 52.86 54.50 3hg4 s ASN 263 Cb -0.09 -2.61 0.05 0.00 0.41 0.00 0.00 41.25 39.01 3hg4 s ASN 263 CO 0.03 -0.47 0.05 -0.62 -1.51 0.00 0.00 177.10 174.59 3hg4 s ASP 264 N 0.30 5.06 -0.01 -1.22 2.15 0.02 -4.28 116.67 118.69 3hg4 s ASP 264 Ca 0.55 -1.32 0.10 0.00 0.43 0.00 0.00 52.55 52.32 3hg4 s ASP 264 Cb -0.35 -1.77 0.31 0.00 -0.30 0.00 0.00 42.92 40.81 3hg4 s ASP 264 CO 0.37 -0.31 1.24 -0.81 -0.17 0.00 0.00 175.17 175.49 3hg4 n PRO 265 N 4.68 1.88 0.00 4.34 -0.04 -1.26 -3.42 135.00 141.17 3hg4 n PRO 265 Ca -0.12 -1.25 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 3hg4 n PRO 265 Cb 0.43 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.49 0.00 -4.75 3.54 -0.08 -1.26 -4.82 116.55 109.67 3hg4 n ASP 266 Ca 0.12 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 53.04 3hg4 n ASP 266 Cb 0.32 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.82 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 -0.79 2.88 -0.03 -0.67 -1.94 -1.26 -4.79 119.30 112.70 3hg4 s MET 267 Ca 0.00 1.79 -0.30 0.00 -1.71 0.00 0.00 55.69 55.47 3hg4 s MET 267 Cb 0.00 -1.92 -0.04 0.00 2.01 0.00 0.00 34.83 34.88 3hg4 s MET 267 CO 0.00 -1.27 1.21 -0.51 -0.01 0.00 0.00 175.02 174.44 3hg4 s LEU 268 N -4.23 4.30 -0.13 -0.03 1.43 0.03 -4.91 118.68 115.14 3hg4 s LEU 268 Ca 0.77 1.87 0.15 0.00 -1.03 0.00 0.00 54.13 55.88 3hg4 s LEU 268 Cb -0.30 -3.56 0.51 0.00 0.03 0.00 0.00 46.19 42.87 3hg4 s LEU 268 CO 0.35 -0.57 1.42 1.33 0.23 0.00 0.00 176.35 179.12 3hg4 n VAL 269 N 4.48 1.94 -2.03 -1.59 0.24 -1.26 -0.96 118.33 119.15 3hg4 n VAL 269 Ca 0.11 -1.55 -0.41 0.00 -2.04 0.00 0.00 64.34 60.45 3hg4 n VAL 269 Cb 0.46 -0.02 -0.02 0.00 -1.47 0.00 0.00 33.84 32.79 3hg4 n VAL 269 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3hg4 s ILE 270 N -2.24 2.66 0.00 1.34 1.01 -1.26 -3.11 121.20 119.60 3hg4 s ILE 270 Ca 0.39 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.62 3hg4 s ILE 270 Cb 0.29 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.39 3hg4 s ILE 270 CO 0.13 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.78 3hg4 n GLY 271 N 1.83 0.49 0.00 6.18 0.00 -1.26 -4.78 105.19 107.65 3hg4 n GLY 271 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.18 -4.75 115.26 113.96 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 0.93 3.10 3.72 -1.26 -4.84 117.46 119.11 3hg4 n PHE 273 Ca 0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 3hg4 n PHE 273 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 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 2.45 -0.45 3.64 1.37 0.00 -1.25 -4.92 105.19 106.02 3hg4 n GLY 274 Ca 0.00 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 3.58 0.88 0.99 1.43 -1.26 -4.24 118.68 117.39 3hg4 s LEU 275 Ca 0.12 0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 3hg4 s LEU 275 Cb 0.16 -1.85 0.12 0.00 0.03 0.00 0.00 46.19 44.65 3hg4 s LEU 275 CO 0.68 0.29 1.09 -0.94 0.23 0.00 0.00 176.35 177.70 3hg4 s SER 276 N -0.33 3.60 0.20 2.29 1.04 -1.26 -4.78 113.70 114.46 3hg4 s SER 276 Ca 0.07 1.57 -0.13 0.00 0.48 0.00 0.00 55.95 57.94 3hg4 s SER 276 Cb -0.12 -2.25 0.24 0.00 0.10 0.00 0.00 66.02 63.99 3hg4 s SER 276 CO 0.02 -2.57 1.67 -0.25 0.98 0.00 0.00 173.24 173.09 3hg4 h TRP 277 N -1.50 -0.07 -0.41 5.02 2.91 -1.99 -0.74 115.95 119.16 3hg4 h TRP 277 Ca -0.48 0.04 -0.04 0.00 1.13 0.00 0.00 58.89 59.54 3hg4 h TRP 277 Cb 1.27 0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 30.02 3hg4 h TRP 277 CO 0.45 -0.15 0.08 -0.91 -1.03 0.00 0.00 178.44 176.88 3hg4 h ASN 278 N 0.10 0.57 0.13 2.65 2.35 -1.92 -1.87 115.58 117.59 3hg4 h ASN 278 Ca 0.28 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.80 3hg4 h ASN 278 Cb 0.45 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3hg4 h ASN 278 CO -0.49 0.58 -0.52 1.56 -1.65 0.00 0.00 177.43 176.92 3hg4 h GLN 279 N 0.60 0.43 -0.66 0.81 4.20 -1.45 -1.83 115.11 117.21 3hg4 h GLN 279 Ca 0.14 -0.26 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 3hg4 h GLN 279 Cb 0.25 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 3hg4 h GLN 279 CO -0.00 0.85 0.15 1.96 -0.67 0.00 0.00 178.83 181.12 3hg4 h GLN 280 N 0.34 1.06 -0.54 1.46 4.20 -0.78 -2.09 115.11 118.75 3hg4 h GLN 280 Ca 0.01 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.44 3hg4 h GLN 280 Cb 1.02 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 3hg4 h GLN 280 CO 0.09 0.94 0.21 0.28 -0.67 0.00 0.00 178.83 179.67 3hg4 h VAL 281 N 1.00 1.22 -0.63 -0.54 2.07 -1.16 -2.13 116.25 116.09 3hg4 h VAL 281 Ca 0.21 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 67.06 3hg4 h VAL 281 Cb 0.36 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3hg4 h VAL 281 CO 0.00 0.27 0.38 0.74 0.02 0.00 0.00 177.57 178.98 3hg4 h THR 282 N 0.73 1.06 -0.36 2.57 2.02 -1.17 -0.35 112.91 117.40 3hg4 h THR 282 Ca 0.18 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 3hg4 h THR 282 Cb 0.21 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 3hg4 h THR 282 CO -0.01 0.13 0.01 -0.61 0.37 0.00 0.00 175.52 175.41 3hg4 h GLN 283 N 0.74 0.63 -0.14 6.66 4.15 -1.17 -0.81 115.11 125.17 3hg4 h GLN 283 Ca 0.26 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 3hg4 h GLN 283 Cb 0.05 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3hg4 h GLN 283 CO -0.12 0.74 0.05 1.98 -1.93 0.00 0.00 178.83 179.56 3hg4 h MET 284 N 0.45 0.22 -0.22 1.69 4.05 -1.21 -0.54 114.93 119.36 3hg4 h MET 284 Ca 0.10 -0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 3hg4 h MET 284 Cb 0.45 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 3hg4 h MET 284 CO 0.02 0.33 0.09 0.00 0.23 0.00 0.00 176.91 177.57 3hg4 h ALA 285 N 0.88 0.25 -0.02 0.39 0.00 -1.03 -2.59 119.26 117.14 3hg4 h ALA 285 Ca 0.05 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 3hg4 h ALA 285 Cb 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hg4 h ALA 285 CO -0.00 -0.33 -0.87 -0.07 0.00 0.00 0.00 179.25 177.97 3hg4 h LEU 286 N 0.20 0.47 -1.97 0.00 -0.00 -1.09 -1.81 115.31 111.10 3hg4 h LEU 286 Ca 0.10 -0.36 -0.02 0.00 -0.00 0.00 0.00 57.88 57.60 3hg4 h LEU 286 Cb 0.05 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 40.57 3hg4 h LEU 286 CO -0.09 1.14 -0.09 -0.50 -0.00 0.00 0.00 178.44 178.90 3hg4 h TRP 287 N 0.22 0.00 -0.08 1.13 -0.00 -1.09 0.85 115.95 116.99 3hg4 h TRP 287 Ca -0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 58.73 3hg4 h TRP 287 Cb 1.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.66 3hg4 h TRP 287 CO 0.05 0.09 -0.33 0.00 -0.00 0.00 0.00 178.44 178.25 3hg4 h ALA 288 N 1.91 0.14 -0.72 1.49 0.00 -1.19 -1.96 119.26 118.93 3hg4 h ALA 288 Ca -0.00 -0.44 0.07 0.00 0.00 0.00 0.00 54.91 54.53 3hg4 h ALA 288 Cb 0.20 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3hg4 h ALA 288 CO 0.01 0.20 0.40 0.82 0.00 0.00 0.00 179.25 180.69 3hg4 h ILE 289 N -0.12 0.95 0.00 0.00 1.08 -0.85 -2.82 117.51 115.75 3hg4 h ILE 289 Ca -0.02 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 3hg4 h ILE 289 Cb 0.97 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 3hg4 h ILE 289 CO 0.07 0.13 0.00 0.23 -0.69 0.00 0.00 178.15 177.89 3hg4 n MET 290 N -4.77 0.91 -3.96 2.37 2.81 0.25 -0.54 117.12 114.19 3hg4 n MET 290 Ca 0.10 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.68 3hg4 n MET 290 Cb 0.20 -1.44 -0.01 0.00 -0.71 0.00 0.00 33.22 31.27 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 -0.94 -2.23 -2.43 3.04 0.00 -1.06 -4.61 120.51 112.28 3hg4 n ALA 291 Ca 0.19 -0.34 -0.33 0.00 0.00 0.00 0.00 53.44 52.96 3hg4 n ALA 291 Cb 0.09 -2.18 -0.05 0.00 0.00 0.00 0.00 19.45 17.30 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 -3.84 3.60 0.50 0.00 0.00 -0.75 -4.66 121.76 116.61 3hg4 s ALA 292 Ca 0.19 -0.25 -0.23 0.00 0.00 0.00 0.00 51.96 51.66 3hg4 s ALA 292 Cb -0.08 -2.43 -0.06 0.00 0.00 0.00 0.00 23.12 20.54 3hg4 s ALA 292 CO 0.91 0.51 1.35 -2.14 0.00 0.00 0.00 175.76 176.39 3hg4 s PRO 293 N -2.45 3.44 -0.70 0.00 0.02 -1.26 -4.80 135.00 129.24 3hg4 s PRO 293 Ca 0.43 2.23 -0.02 0.00 0.02 0.00 0.00 61.00 63.65 3hg4 s PRO 293 Cb -0.13 -2.43 0.18 0.00 0.02 0.00 0.00 34.50 32.14 3hg4 s PRO 293 CO 0.20 -0.95 0.54 -0.51 -0.33 0.00 0.00 177.00 175.95 3hg4 s LEU 294 N -3.14 5.28 -0.43 -5.54 1.43 0.56 -4.89 118.68 111.96 3hg4 s LEU 294 Ca 0.66 -3.17 -0.12 0.00 -1.03 0.00 0.00 54.13 50.47 3hg4 s LEU 294 Cb -0.40 -1.85 0.06 0.00 0.03 0.00 0.00 46.19 44.03 3hg4 s LEU 294 CO 0.49 -0.30 0.31 -0.36 0.23 0.00 0.00 176.35 176.72 3hg4 s PHE 295 N -0.52 3.28 0.24 0.29 0.40 -1.26 -0.77 117.98 119.64 3hg4 s PHE 295 Ca 0.20 -1.13 -0.30 0.00 -0.60 0.00 0.00 56.93 55.10 3hg4 s PHE 295 Cb -0.16 -2.94 -0.10 0.00 0.51 0.00 0.00 43.02 40.34 3hg4 s PHE 295 CO -0.06 -0.78 1.42 -1.64 0.70 0.00 0.00 175.22 174.85 3hg4 s MET 296 N 1.55 4.29 -0.38 0.44 -1.94 0.66 -0.79 119.30 123.13 3hg4 s MET 296 Ca 0.03 2.26 0.03 0.00 -1.71 0.00 0.00 55.69 56.30 3hg4 s MET 296 Cb -0.23 -3.12 0.11 0.00 2.01 0.00 0.00 34.83 33.60 3hg4 s MET 296 CO 0.05 -0.39 0.12 0.45 -0.01 0.00 0.00 175.02 175.25 3hg4 s SER 297 N 0.33 4.39 0.27 3.03 0.15 -0.14 0.08 113.70 121.82 3hg4 s SER 297 Ca 0.59 -2.28 -0.08 0.00 0.70 0.00 0.00 55.95 54.88 3hg4 s SER 297 Cb -0.41 -1.40 0.03 0.00 -1.71 0.00 0.00 66.02 62.53 3hg4 s SER 297 CO 0.43 -0.34 0.49 -0.46 1.20 0.00 0.00 173.24 174.56 3hg4 n ASN 298 N 4.06 -1.42 -4.25 5.45 0.23 -1.26 -4.36 115.26 113.71 3hg4 n ASN 298 Ca 0.03 -2.20 -0.42 0.00 -0.53 0.00 0.00 54.58 51.46 3hg4 n ASN 298 Cb 0.39 2.43 -0.08 0.00 -2.08 0.00 0.00 39.78 40.44 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 -2.49 5.79 0.57 0.53 -1.08 -1.26 -4.93 116.67 113.79 3hg4 s ASP 299 Ca 0.14 -1.75 0.38 0.00 -0.52 0.00 0.00 52.55 50.80 3hg4 s ASP 299 Cb -0.03 -2.05 1.94 0.00 -1.46 0.00 0.00 42.92 41.33 3hg4 s ASP 299 CO 0.11 -0.68 2.16 -0.07 0.52 0.00 0.00 175.17 177.20 3hg4 h LEU 300 N 8.53 0.00 -0.48 -1.34 3.38 -1.97 -0.94 115.31 122.48 3hg4 h LEU 300 Ca -0.23 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3hg4 h LEU 300 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3hg4 h LEU 300 CO 0.86 0.00 -0.20 0.03 0.09 0.00 0.00 178.44 179.22 3hg4 h ARG 301 N 0.00 0.00 -2.41 1.13 3.08 -1.94 -3.40 114.38 110.84 3hg4 h ARG 301 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3hg4 h ARG 301 Cb 0.14 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 29.82 3hg4 h ARG 301 CO 0.00 0.20 -0.90 -1.01 -1.07 0.00 0.00 179.97 177.20 3hg4 s HIS 302 N -3.31 0.79 -0.01 3.04 3.76 -0.36 -5.11 115.29 114.09 3hg4 s HIS 302 Ca 0.04 -1.90 0.00 0.00 -0.15 0.00 0.00 55.06 53.05 3hg4 s HIS 302 Cb 0.08 -0.86 0.02 0.00 1.11 0.00 0.00 32.58 32.93 3hg4 s HIS 302 CO 0.67 -0.85 0.02 -1.50 -0.85 0.00 0.00 174.74 172.23 3hg4 s ILE 303 N 0.60 -0.01 0.55 0.60 2.07 -1.23 -4.60 121.20 119.17 3hg4 s ILE 303 Ca 0.25 0.13 -0.21 0.00 -1.41 0.00 0.00 60.65 59.42 3hg4 s ILE 303 Cb -0.09 -0.09 -0.05 0.00 0.13 0.00 0.00 42.46 42.37 3hg4 s ILE 303 CO -0.09 0.07 1.29 -0.94 -1.91 0.00 0.00 174.94 173.36 3hg4 s SER 304 N 0.74 5.32 0.32 4.50 1.04 -1.26 -4.83 113.70 119.53 3hg4 s SER 304 Ca -0.06 2.61 0.08 0.00 0.48 0.00 0.00 55.95 59.06 3hg4 s SER 304 Cb -0.09 -2.62 0.81 0.00 0.10 0.00 0.00 66.02 64.22 3hg4 s SER 304 CO -0.02 -1.52 1.77 -0.65 0.98 0.00 0.00 173.24 173.80 3hg4 h PRO 305 N 1.36 0.67 -0.21 4.02 0.11 -2.01 -1.52 132.00 134.41 3hg4 h PRO 305 Ca -0.51 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.53 3hg4 h PRO 305 Cb 1.30 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3hg4 h PRO 305 CO 0.57 0.44 0.02 1.96 -0.21 0.00 0.00 178.00 180.77 3hg4 h GLN 306 N 0.69 0.36 -0.63 1.05 7.50 -1.99 -1.14 115.11 120.94 3hg4 h GLN 306 Ca 0.60 -0.11 -0.05 0.00 0.50 0.00 0.00 58.65 59.59 3hg4 h GLN 306 Cb 1.03 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 28.50 3hg4 h GLN 306 CO -0.40 0.54 0.21 0.00 -1.50 0.00 0.00 178.83 177.68 3hg4 h ALA 307 N 0.81 0.82 -0.09 3.87 0.00 -1.86 -2.17 119.26 120.65 3hg4 h ALA 307 Ca 0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hg4 h ALA 307 Cb 0.36 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hg4 h ALA 307 CO 0.01 0.48 0.05 -0.22 0.00 0.00 0.00 179.25 179.57 3hg4 h LYS 308 N 0.90 0.13 -0.76 0.00 3.64 -1.19 -1.50 116.57 117.78 3hg4 h LYS 308 Ca 0.21 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3hg4 h LYS 308 Cb 0.27 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 3hg4 h LYS 308 CO -0.01 0.16 0.46 0.00 -2.27 0.00 0.00 179.45 177.79 3hg4 h ALA 309 N 0.96 1.38 -0.13 5.00 0.00 -1.13 -1.19 119.26 124.14 3hg4 h ALA 309 Ca 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3hg4 h ALA 309 Cb 0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3hg4 h ALA 309 CO -0.01 0.54 -0.03 1.25 0.00 0.00 0.00 179.25 181.00 3hg4 h LEU 310 N 1.05 0.25 -2.09 0.00 5.85 -1.27 -2.13 115.31 116.97 3hg4 h LEU 310 Ca 0.27 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3hg4 h LEU 310 Cb -0.05 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 3hg4 h LEU 310 CO -0.05 0.57 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.47 3hg4 h LEU 311 N -0.06 0.00 -2.93 2.25 3.38 -1.09 -2.44 115.31 114.42 3hg4 h LEU 311 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hg4 h LEU 311 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3hg4 h LEU 311 CO 0.01 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.62 3hg4 n GLN 312 N -3.80 3.09 -1.76 1.13 6.02 -0.47 -4.96 117.38 116.64 3hg4 n GLN 312 Ca -0.02 -2.62 -0.42 0.00 -0.01 0.00 0.00 57.00 53.92 3hg4 n GLN 312 Cb 0.18 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 29.78 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 -1.02 5.47 0.13 1.08 -1.08 -0.81 -4.86 116.67 115.58 3hg4 s ASP 313 Ca 0.44 1.51 -0.21 0.00 -0.52 0.00 0.00 52.55 53.77 3hg4 s ASP 313 Cb 0.26 -2.52 -0.01 0.00 -1.46 0.00 0.00 42.92 39.19 3hg4 s ASP 313 CO 0.26 -2.01 1.68 0.50 0.52 0.00 0.00 175.17 176.12 3hg4 h LYS 314 N 14.85 -0.11 -0.27 4.34 3.64 -1.90 0.67 116.57 137.78 3hg4 h LYS 314 Ca -0.36 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.96 3hg4 h LYS 314 Cb 1.21 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 3hg4 h LYS 314 CO 1.02 -0.08 -0.13 -0.44 -2.27 0.00 0.00 179.45 177.55 3hg4 h ASP 315 N -0.12 0.44 0.15 4.20 3.32 -1.99 -0.29 116.42 122.13 3hg4 h ASP 315 Ca 0.11 -0.11 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 3hg4 h ASP 315 Cb 0.28 -0.12 0.02 0.00 0.22 0.00 0.00 39.33 39.74 3hg4 h ASP 315 CO -0.26 0.60 -0.92 0.58 -1.72 0.00 0.00 179.24 177.52 3hg4 h VAL 316 N 0.42 1.47 -0.90 -1.35 2.07 -1.85 -2.80 116.25 113.31 3hg4 h VAL 316 Ca 0.08 -2.54 0.09 0.00 0.82 0.00 0.00 66.70 65.15 3hg4 h VAL 316 Cb 0.48 3.14 -0.07 0.00 -1.52 0.00 0.00 31.29 33.32 3hg4 h VAL 316 CO 0.03 0.73 0.55 0.40 0.02 0.00 0.00 177.57 179.29 3hg4 h ILE 317 N -0.26 0.97 -0.51 4.57 2.04 -0.81 -2.05 117.51 121.45 3hg4 h ILE 317 Ca -0.16 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3hg4 h ILE 317 Cb 1.72 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3hg4 h ILE 317 CO 0.17 0.17 0.21 0.00 0.00 0.00 0.00 178.15 178.71 3hg4 h ALA 318 N 1.46 1.42 0.10 1.87 0.00 -1.02 0.17 119.26 123.25 3hg4 h ALA 318 Ca 0.42 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3hg4 h ALA 318 Cb 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hg4 h ALA 318 CO -0.22 0.45 -0.05 0.82 0.00 0.00 0.00 179.25 180.25 3hg4 h ILE 319 N 0.72 1.02 -0.89 0.00 2.04 -1.17 -1.78 117.51 117.46 3hg4 h ILE 319 Ca 0.18 -0.44 0.12 0.00 1.00 0.00 0.00 64.86 65.71 3hg4 h ILE 319 Cb 0.13 1.30 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 3hg4 h ILE 319 CO -0.02 0.11 0.57 -1.13 0.00 0.00 0.00 178.15 177.68 3hg4 h ASN 320 N -0.34 0.72 -0.52 1.72 -0.73 -0.66 -1.86 115.58 113.92 3hg4 h ASN 320 Ca -0.01 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.19 3hg4 h ASN 320 Cb 0.28 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.76 3hg4 h ASN 320 CO 0.02 0.39 0.00 0.00 -0.37 0.00 0.00 177.43 177.48 3hg4 n GLN 321 N -4.55 2.35 -1.67 6.67 1.13 0.52 -4.58 117.38 117.25 3hg4 n GLN 321 Ca 0.16 -1.93 -0.53 0.00 -1.94 0.00 0.00 57.00 52.76 3hg4 n GLN 321 Cb 0.39 -1.46 -0.06 0.00 0.11 0.00 0.00 30.24 29.22 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 0.99 2.46 0.25 1.08 2.03 -0.68 -4.82 116.55 117.86 3hg4 n ASP 322 Ca 0.18 1.07 0.16 0.00 0.52 0.00 0.00 54.79 56.72 3hg4 n ASP 322 Cb 0.48 -1.22 0.87 0.00 -0.72 0.00 0.00 41.12 40.53 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 6.77 0.00 -0.35 -0.67 0.13 -1.91 -1.42 132.00 134.56 3hg4 h PRO 323 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 3hg4 h PRO 323 Cb 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 3hg4 h PRO 323 CO 0.90 0.00 0.11 1.25 -0.23 0.00 0.00 178.00 180.03 3hg4 h LEU 324 N 0.00 0.45 0.51 1.56 5.85 -1.93 -3.47 115.31 118.27 3hg4 h LEU 324 Ca 0.04 -0.05 -0.38 0.00 0.84 0.00 0.00 57.88 58.33 3hg4 h LEU 324 Cb 0.25 -0.11 0.08 0.00 0.37 0.00 0.00 40.66 41.24 3hg4 h LEU 324 CO -0.00 0.44 -0.59 0.61 -0.34 0.00 0.00 178.44 178.56 3hg4 n GLY 325 N -1.15 -0.45 3.59 3.75 0.00 -0.54 -4.65 105.19 105.74 3hg4 n GLY 325 Ca 0.02 0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3hg4 n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hg4 s LYS 326 N -5.77 3.90 0.34 1.61 1.02 -1.26 -3.68 119.74 115.90 3hg4 s LYS 326 Ca 0.35 -0.04 -0.28 0.00 0.02 0.00 0.00 55.97 56.01 3hg4 s LYS 326 Cb -0.15 -3.70 -0.10 0.00 -0.52 0.00 0.00 37.83 33.36 3hg4 s LYS 326 CO 0.43 -0.37 1.29 -1.14 -0.92 0.00 0.00 175.35 174.64 3hg4 s GLN 327 N 2.12 4.31 0.61 1.68 0.74 -1.26 -4.53 119.66 123.32 3hg4 s GLN 327 Ca 0.15 2.17 -0.10 0.00 0.05 0.00 0.00 55.36 57.63 3hg4 s GLN 327 Cb -0.16 -3.02 0.14 0.00 1.10 0.00 0.00 33.01 31.07 3hg4 s GLN 327 CO 0.11 -0.21 0.82 0.41 -0.55 0.00 0.00 175.29 175.87 3hg4 n GLY 328 N 0.79 -1.39 3.46 2.59 0.00 0.30 -4.79 105.19 106.15 3hg4 n GLY 328 Ca 0.01 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.79 -0.49 -0.10 1.61 -0.85 -0.31 -4.78 117.35 109.63 3hg4 s TYR 329 Ca 0.47 0.25 -0.30 0.00 -0.52 0.00 0.00 57.07 56.97 3hg4 s TYR 329 Cb -0.01 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 42.86 3hg4 s TYR 329 CO 0.33 -0.88 1.21 -1.14 -1.52 0.00 0.00 175.55 173.55 3hg4 s GLN 330 N -3.77 4.31 -0.13 -3.49 0.74 -1.26 -1.26 119.66 114.80 3hg4 s GLN 330 Ca 0.02 1.65 -0.11 0.00 0.05 0.00 0.00 55.36 56.97 3hg4 s GLN 330 Cb -0.01 -3.63 -0.26 0.00 1.10 0.00 0.00 33.01 30.21 3hg4 s GLN 330 CO -0.11 -0.54 0.40 1.25 -0.55 0.00 0.00 175.29 175.74 3hg4 h LEU 331 N 8.74 0.36 -7.75 3.68 5.85 0.18 -3.48 115.31 122.88 3hg4 h LEU 331 Ca -0.31 -0.86 -0.14 0.00 0.84 0.00 0.00 57.88 57.40 3hg4 h LEU 331 Cb 1.14 -0.12 -0.21 0.00 0.37 0.00 0.00 40.66 41.85 3hg4 h LEU 331 CO 0.91 1.76 -0.49 -0.13 -0.34 0.00 0.00 178.44 180.15 3hg4 s ARG 332 N -2.51 0.48 -0.14 1.25 0.52 -0.73 -4.98 118.95 112.84 3hg4 s ARG 332 Ca -0.23 -0.41 -0.09 0.00 -0.52 0.00 0.00 55.73 54.49 3hg4 s ARG 332 Cb 0.06 0.20 0.05 0.00 0.52 0.00 0.00 34.95 35.78 3hg4 s ARG 332 CO 0.75 -0.12 0.35 -1.14 0.02 0.00 0.00 175.30 175.16 3hg4 s GLN 333 N -1.41 0.34 0.00 3.54 0.74 -1.26 -0.61 119.66 121.00 3hg4 s GLN 333 Ca -0.15 0.66 0.00 0.00 0.05 0.00 0.00 55.36 55.92 3hg4 s GLN 333 Cb -0.08 -0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.02 3hg4 s GLN 333 CO 0.02 -0.14 0.00 0.41 -0.55 0.00 0.00 175.29 175.02 3hg4 n GLY 334 N 4.01 3.10 3.09 2.59 0.00 -0.81 -5.01 105.19 112.16 3hg4 n GLY 334 Ca -0.22 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 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 -5.45 -1.87 1.61 4.64 -1.26 -1.53 116.55 112.69 3hg4 n ASP 335 Ca 0.00 -0.30 -0.19 0.00 -1.38 0.00 0.00 54.79 52.92 3hg4 n ASP 335 Cb 0.00 -4.43 -0.04 0.00 -1.04 0.00 0.00 41.12 35.61 3hg4 n ASP 335 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 3hg4 n ASN 336 N -2.45 -5.46 -4.57 1.67 5.03 -1.26 -4.92 115.26 103.31 3hg4 n ASN 336 Ca -0.09 0.21 -0.27 0.00 0.87 0.00 0.00 54.58 55.30 3hg4 n ASN 336 Cb 0.60 -4.57 -0.09 0.00 -1.02 0.00 0.00 39.78 34.70 3hg4 n ASN 336 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3hg4 s PHE 337 N -2.85 2.64 -0.00 3.10 0.40 -0.58 0.15 117.98 120.84 3hg4 s PHE 337 Ca 0.00 -0.22 0.05 0.00 -0.60 0.00 0.00 56.93 56.16 3hg4 s PHE 337 Cb 0.00 -1.29 -0.01 0.00 0.51 0.00 0.00 43.02 42.23 3hg4 s PHE 337 CO 0.00 0.51 -0.15 -1.21 0.70 0.00 0.00 175.22 175.07 3hg4 s GLU 338 N -2.82 1.19 -0.17 0.44 2.02 -0.55 -1.93 118.70 116.89 3hg4 s GLU 338 Ca 0.25 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.67 3hg4 s GLU 338 Cb -0.09 -1.16 0.00 0.00 0.10 0.00 0.00 34.13 32.98 3hg4 s GLU 338 CO 0.15 0.32 -0.15 0.08 0.02 0.00 0.00 175.26 175.67 3hg4 s VAL 339 N -0.42 2.59 0.14 2.63 1.01 0.22 -1.22 120.40 125.35 3hg4 s VAL 339 Ca 0.05 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.34 3hg4 s VAL 339 Cb -0.06 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3hg4 s VAL 339 CO -0.00 0.51 -0.19 0.26 0.00 0.00 0.00 175.10 175.68 3hg4 s TRP 340 N 0.98 2.49 0.08 5.22 0.52 -0.01 0.90 118.94 129.11 3hg4 s TRP 340 Ca -0.02 -0.29 -0.06 0.00 0.02 0.00 0.00 56.10 55.75 3hg4 s TRP 340 Cb -0.15 -1.29 -0.01 0.00 -1.15 0.00 0.00 33.47 30.87 3hg4 s TRP 340 CO -0.03 0.42 0.12 -1.83 0.02 0.00 0.00 176.95 175.65 3hg4 s GLU 341 N -2.34 0.77 -0.07 4.98 -1.05 -0.39 -0.41 118.70 120.20 3hg4 s GLU 341 Ca 0.19 -1.03 -0.03 0.00 -0.15 0.00 0.00 54.97 53.95 3hg4 s GLU 341 Cb -0.10 0.30 0.04 0.00 -0.44 0.00 0.00 34.13 33.93 3hg4 s GLU 341 CO 0.10 -0.22 0.14 0.50 0.95 0.00 0.00 175.26 176.74 3hg4 s ARG 342 N -3.86 0.07 0.24 -4.83 3.52 -0.00 -1.17 118.95 112.92 3hg4 s ARG 342 Ca 0.05 0.39 -0.30 0.00 -0.13 0.00 0.00 55.73 55.74 3hg4 s ARG 342 Cb 0.06 -0.20 -0.09 0.00 -1.56 0.00 0.00 34.95 33.16 3hg4 s ARG 342 CO -0.11 -0.19 1.05 -1.25 -0.81 0.00 0.00 175.30 174.00 3hg4 s PRO 343 N 1.33 4.69 0.47 5.12 0.04 -1.26 -1.10 135.00 144.28 3hg4 s PRO 343 Ca -0.07 1.69 0.04 0.00 0.04 0.00 0.00 61.00 62.69 3hg4 s PRO 343 Cb -0.12 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 3hg4 s PRO 343 CO -0.06 0.25 0.01 -0.51 0.04 0.00 0.00 177.00 176.73 3hg4 s LEU 344 N -1.04 2.54 0.62 -3.56 1.43 0.14 -4.56 118.68 114.26 3hg4 s LEU 344 Ca 0.45 -1.53 -0.18 0.00 -1.03 0.00 0.00 54.13 51.84 3hg4 s LEU 344 Cb -0.29 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 3hg4 s LEU 344 CO 0.37 -0.68 1.05 -1.20 0.23 0.00 0.00 176.35 176.12 3hg4 n SER 345 N -1.14 1.10 -3.49 2.29 7.64 -1.26 -3.86 113.62 114.91 3hg4 n SER 345 Ca -0.13 0.80 -0.25 0.00 1.01 0.00 0.00 58.87 60.31 3hg4 n SER 345 Cb 0.67 -1.44 0.06 0.00 -1.01 0.00 0.00 64.21 62.49 3hg4 n SER 345 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hg4 n GLY 346 N 1.19 -0.53 2.40 0.23 0.00 -1.26 -2.80 105.19 104.42 3hg4 n GLY 346 Ca 0.15 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.66 -1.12 -4.95 0.99 4.77 -1.25 -4.82 117.00 105.96 3hg4 n LEU 347 Ca -0.02 0.31 -0.23 0.00 -0.03 0.00 0.00 56.01 56.04 3hg4 n LEU 347 Cb 0.57 -2.13 -0.01 0.00 -2.33 0.00 0.00 43.42 39.52 3hg4 n LEU 347 CO 0.61 -0.67 0.14 0.00 -1.33 0.00 0.00 177.39 176.15 3hg4 s ALA 348 N -2.55 3.76 0.02 -1.18 0.00 -1.12 -3.85 121.76 116.83 3hg4 s ALA 348 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.97 3hg4 s ALA 348 Cb 0.00 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 3hg4 s ALA 348 CO 0.00 -0.01 -0.03 -1.58 0.00 0.00 0.00 175.76 174.14 3hg4 s TRP 349 N -2.28 0.28 -0.08 0.00 0.52 -0.59 -0.69 118.94 116.10 3hg4 s TRP 349 Ca 0.40 -0.34 -0.04 0.00 0.02 0.00 0.00 56.10 56.14 3hg4 s TRP 349 Cb -0.10 -0.18 -0.04 0.00 -1.15 0.00 0.00 33.47 32.00 3hg4 s TRP 349 CO 0.35 -0.10 0.09 0.00 0.02 0.00 0.00 176.95 177.31 3hg4 s ALA 350 N -0.93 3.65 -0.06 0.98 0.00 -0.26 -0.27 121.76 124.87 3hg4 s ALA 350 Ca -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3hg4 s ALA 350 Cb -0.07 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.34 3hg4 s ALA 350 CO -0.00 0.64 -0.03 0.08 0.00 0.00 0.00 175.76 176.44 3hg4 s VAL 351 N -1.05 0.50 -0.08 0.00 1.01 0.01 -0.82 120.40 119.96 3hg4 s VAL 351 Ca 0.17 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.13 3hg4 s VAL 351 Cb -0.12 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 3hg4 s VAL 351 CO 0.07 0.24 -0.16 0.00 0.00 0.00 0.00 175.10 175.25 3hg4 s ALA 352 N 1.29 2.56 -0.17 5.51 0.00 0.46 -0.38 121.76 131.03 3hg4 s ALA 352 Ca -0.05 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3hg4 s ALA 352 Cb -0.14 -1.00 0.04 0.00 0.00 0.00 0.00 23.12 22.02 3hg4 s ALA 352 CO -0.02 0.42 -0.10 -1.64 0.00 0.00 0.00 175.76 174.42 3hg4 s MET 353 N -0.25 1.98 -0.12 0.00 -1.94 0.25 -0.83 119.30 118.40 3hg4 s MET 353 Ca 0.01 -0.68 -0.03 0.00 -1.71 0.00 0.00 55.69 53.28 3hg4 s MET 353 Cb -0.13 -2.22 -0.03 0.00 2.01 0.00 0.00 34.83 34.46 3hg4 s MET 353 CO 0.03 -0.37 0.01 0.42 -0.01 0.00 0.00 175.02 175.10 3hg4 s ILE 354 N 1.48 4.36 -0.40 2.53 1.01 -0.36 -0.57 121.20 129.25 3hg4 s ILE 354 Ca 0.01 -0.21 -0.15 0.00 0.00 0.00 0.00 60.65 60.29 3hg4 s ILE 354 Cb -0.15 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.46 3hg4 s ILE 354 CO -0.09 0.56 0.34 0.21 0.00 0.00 0.00 174.94 175.96 3hg4 s ASN 355 N -0.45 6.14 0.00 3.58 2.47 -0.85 -1.48 114.94 124.35 3hg4 s ASN 355 Ca 0.08 -0.73 0.26 0.00 0.42 0.00 0.00 52.86 52.90 3hg4 s ASN 355 Cb -0.12 -2.18 0.70 0.00 -1.45 0.00 0.00 41.25 38.20 3hg4 s ASN 355 CO 0.02 -0.46 1.54 0.54 -3.72 0.00 0.00 177.10 175.03 3hg4 n ARG 356 N 5.31 1.86 -2.72 0.43 5.12 0.12 -0.52 116.66 126.26 3hg4 n ARG 356 Ca -0.10 -1.30 -0.43 0.00 -1.93 0.00 0.00 57.85 54.10 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 -2.03 4.27 -0.56 5.56 0.74 -1.22 -4.86 119.66 121.56 3hg4 s GLN 357 Ca 0.33 1.26 0.01 0.00 0.05 0.00 0.00 55.36 57.02 3hg4 s GLN 357 Cb 0.20 -3.63 0.50 0.00 1.10 0.00 0.00 33.01 31.19 3hg4 s GLN 357 CO 0.34 -0.55 1.87 0.39 -0.55 0.00 0.00 175.29 176.78 3hg4 n GLU 358 N 6.04 2.67 -3.75 1.67 1.02 -1.26 -4.20 120.64 122.82 3hg4 n GLU 358 Ca 0.10 -3.34 -0.10 0.00 -0.02 0.00 0.00 57.16 53.80 3hg4 n GLU 358 Cb 0.47 -2.24 -0.06 0.00 -0.02 0.00 0.00 31.44 29.59 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 -4.41 0.10 0.00 -3.67 2.07 -1.26 -5.08 121.20 108.95 3hg4 s ILE 359 Ca 0.60 -0.90 0.00 0.00 -1.41 0.00 0.00 60.65 58.95 3hg4 s ILE 359 Cb 0.48 -1.29 0.00 0.00 0.13 0.00 0.00 42.46 41.79 3hg4 s ILE 359 CO 0.02 -0.47 0.00 0.61 -1.91 0.00 0.00 174.94 173.19 3hg4 n GLY 360 N -0.15 -0.14 0.00 1.50 0.00 -1.26 -4.93 105.19 100.21 3hg4 n GLY 360 Ca -0.15 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 5.49 3.67 -0.02 0.00 -1.26 -4.87 105.19 108.20 3hg4 n GLY 361 Ca 0.00 -2.08 -0.47 0.00 0.00 0.00 0.00 46.02 43.47 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 2.16 -4.32 1.61 -0.02 -1.26 -4.41 135.00 128.76 3hg4 n PRO 362 Ca 0.00 0.78 -0.32 0.00 -2.02 0.00 0.00 63.50 61.94 3hg4 n PRO 362 Cb 0.00 -2.58 -0.09 0.00 -0.02 0.00 0.00 33.50 30.81 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 2.00 2.70 0.07 -0.52 0.52 -0.45 -4.80 118.95 118.48 3hg4 s ARG 363 Ca 0.84 -0.66 -0.29 0.00 -0.52 0.00 0.00 55.73 55.09 3hg4 s ARG 363 Cb -0.68 -2.61 -0.05 0.00 0.52 0.00 0.00 34.95 32.12 3hg4 s ARG 363 CO 0.43 0.61 0.94 0.45 0.02 0.00 0.00 175.30 177.75 3hg4 s SER 364 N -1.58 7.42 -0.04 0.23 0.15 -1.26 -0.82 113.70 117.80 3hg4 s SER 364 Ca 0.19 1.71 0.02 0.00 0.70 0.00 0.00 55.95 58.57 3hg4 s SER 364 Cb -0.11 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.64 3hg4 s SER 364 CO 0.10 -0.11 -0.07 -0.47 1.20 0.00 0.00 173.24 173.89 3hg4 s TYR 365 N 0.26 0.93 0.05 3.44 5.04 0.10 -4.98 117.35 122.19 3hg4 s TYR 365 Ca 0.47 -0.27 0.06 0.00 -2.44 0.00 0.00 57.07 54.89 3hg4 s TYR 365 Cb -0.22 -0.73 -0.02 0.00 0.35 0.00 0.00 41.96 41.33 3hg4 s TYR 365 CO 0.28 -0.18 -0.17 0.95 -1.34 0.00 0.00 175.55 175.10 3hg4 s THR 366 N 0.63 1.34 -0.06 4.34 -4.23 -1.26 -0.98 115.64 115.43 3hg4 s THR 366 Ca -0.10 -1.13 -0.09 0.00 -1.18 0.00 0.00 61.69 59.20 3hg4 s THR 366 Cb -0.13 -1.20 0.02 0.00 1.34 0.00 0.00 72.50 72.53 3hg4 s THR 366 CO 0.01 0.05 0.22 -0.51 -0.54 0.00 0.00 174.62 173.86 3hg4 s ILE 367 N -0.88 0.03 0.17 2.99 2.07 -0.52 -4.99 121.20 120.07 3hg4 s ILE 367 Ca 0.04 -0.24 -0.31 0.00 -1.41 0.00 0.00 60.65 58.73 3hg4 s ILE 367 Cb -0.08 -0.40 -0.09 0.00 0.13 0.00 0.00 42.46 42.02 3hg4 s ILE 367 CO 0.02 -0.13 1.42 0.00 -1.91 0.00 0.00 174.94 174.34 3hg4 s ALA 368 N -0.45 3.62 0.40 1.50 0.00 -1.26 -0.41 121.76 125.16 3hg4 s ALA 368 Ca -0.06 1.22 0.36 0.00 0.00 0.00 0.00 51.96 53.48 3hg4 s ALA 368 Cb -0.04 -3.55 1.78 0.00 0.00 0.00 0.00 23.12 21.32 3hg4 s ALA 368 CO 0.01 -0.66 2.15 -0.39 0.00 0.00 0.00 175.76 176.88 3hg4 h VAL 369 N 3.93 0.17 0.00 0.00 -1.51 -1.52 -1.12 116.25 116.20 3hg4 h VAL 369 Ca -0.44 -0.33 -0.01 0.00 -1.23 0.00 0.00 66.70 64.69 3hg4 h VAL 369 Cb 1.21 1.28 -0.00 0.00 -2.13 0.00 0.00 31.29 31.65 3hg4 h VAL 369 CO 0.84 0.03 -0.07 0.00 -1.23 0.00 0.00 177.57 177.14 3hg4 h ALA 370 N 1.97 1.11 0.00 5.19 0.00 -1.78 -1.91 119.26 123.83 3hg4 h ALA 370 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hg4 h ALA 370 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hg4 h ALA 370 CO 0.00 0.09 -0.11 0.43 0.00 0.00 0.00 179.25 179.66 3hg4 n SER 371 N -3.33 0.60 -4.90 0.00 7.64 -0.42 -3.49 113.62 109.71 3hg4 n SER 371 Ca -0.01 0.45 -0.29 0.00 1.01 0.00 0.00 58.87 60.03 3hg4 n SER 371 Cb 0.25 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 3hg4 n SER 371 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hg4 s LEU 372 N -4.06 4.05 -1.48 -3.43 1.43 -0.72 -4.35 118.68 110.12 3hg4 s LEU 372 Ca 0.11 0.77 -0.13 0.00 -1.03 0.00 0.00 54.13 53.85 3hg4 s LEU 372 Cb 0.14 -3.59 0.10 0.00 0.03 0.00 0.00 46.19 42.88 3hg4 s LEU 372 CO 0.60 -0.20 0.71 0.61 0.23 0.00 0.00 176.35 178.30 3hg4 n GLY 373 N -0.90 -0.48 2.57 -3.19 0.00 -1.26 -1.32 105.19 100.61 3hg4 n GLY 373 Ca -0.01 0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.17 -1.40 -0.61 1.61 5.02 -1.26 -1.76 118.16 115.59 3hg4 n LYS 374 Ca 0.03 1.19 0.00 0.00 -2.02 0.00 0.00 58.31 57.51 3hg4 n LYS 374 Cb 0.52 -5.55 0.00 0.00 -0.02 0.00 0.00 35.03 29.98 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 -0.55 0.76 0.05 0.72 0.00 -0.44 -4.92 105.19 100.82 3hg4 n GLY 375 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 3hg4 n GLY 375 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hg4 n VAL 376 N -2.22 0.61 -0.31 1.61 0.24 -0.72 -4.45 118.33 113.09 3hg4 n VAL 376 Ca 0.00 -0.48 0.12 0.00 -2.04 0.00 0.00 64.34 61.93 3hg4 n VAL 376 Cb 0.00 -0.39 0.29 0.00 -1.47 0.00 0.00 33.84 32.27 3hg4 n VAL 376 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hg4 h ALA 377 N 0.85 1.44 -0.07 2.33 0.00 -1.70 -2.86 119.26 119.25 3hg4 h ALA 377 Ca -0.24 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3hg4 h ALA 377 Cb 1.44 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 19.18 3hg4 h ALA 377 CO 0.01 -0.21 -0.61 0.00 0.00 0.00 0.00 179.25 178.44 3hg4 s ASN 379 N -3.11 4.36 0.38 0.00 3.04 -1.08 -2.33 114.94 116.21 3hg4 s ASN 379 Ca 0.38 -0.64 0.21 0.00 0.04 0.00 0.00 52.86 52.85 3hg4 s ASN 379 Cb 0.38 -1.72 0.48 0.00 -1.54 0.00 0.00 41.25 38.85 3hg4 s ASN 379 CO -0.07 -0.09 1.64 1.55 -3.04 0.00 0.00 177.10 177.09 3hg4 h PRO 380 N 8.08 0.00 -3.26 0.43 0.13 -1.92 -3.47 132.00 132.00 3hg4 h PRO 380 Ca -0.37 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.77 3hg4 h PRO 380 Cb 1.13 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.19 3hg4 h PRO 380 CO 0.59 0.27 0.08 0.00 -0.23 0.00 0.00 178.00 178.72 3hg4 s ALA 381 N -3.28 -0.87 -0.00 -0.56 0.00 -0.98 -1.03 121.76 115.02 3hg4 s ALA 381 Ca 0.03 -0.45 -0.10 0.00 0.00 0.00 0.00 51.96 51.45 3hg4 s ALA 381 Cb 0.08 0.92 0.01 0.00 0.00 0.00 0.00 23.12 24.13 3hg4 s ALA 381 CO 0.68 -0.93 0.20 0.00 0.00 0.00 0.00 175.76 175.71 3hg4 s PHE 383 N -1.34 3.56 -0.16 0.00 5.36 0.12 -0.43 117.98 125.09 3hg4 s PHE 383 Ca -0.14 0.83 -0.00 0.00 -0.96 0.00 0.00 56.93 56.65 3hg4 s PHE 383 Cb -0.07 -2.40 -0.00 0.00 -0.34 0.00 0.00 43.02 40.21 3hg4 s PHE 383 CO 0.02 0.34 -0.14 0.42 -1.46 0.00 0.00 175.22 174.40 3hg4 s ILE 384 N 0.06 2.72 -0.14 3.12 1.01 -0.39 -0.28 121.20 127.31 3hg4 s ILE 384 Ca 0.22 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 60.15 3hg4 s ILE 384 Cb -0.15 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.16 3hg4 s ILE 384 CO 0.09 0.51 -0.19 -0.89 0.00 0.00 0.00 174.94 174.45 3hg4 s THR 385 N 0.90 2.35 0.06 2.92 2.01 -0.22 -0.69 115.64 122.97 3hg4 s THR 385 Ca -0.03 -0.89 -0.28 0.00 0.31 0.00 0.00 61.69 60.80 3hg4 s THR 385 Cb -0.15 -1.95 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 3hg4 s THR 385 CO -0.01 0.54 0.87 -1.58 -0.69 0.00 0.00 174.62 173.74 3hg4 s GLN 386 N 0.67 4.59 -0.16 4.92 0.74 0.92 -0.26 119.66 131.07 3hg4 s GLN 386 Ca -0.09 1.26 0.03 0.00 0.05 0.00 0.00 55.36 56.61 3hg4 s GLN 386 Cb -0.16 -3.38 -0.12 0.00 1.10 0.00 0.00 33.01 30.45 3hg4 s GLN 386 CO 0.02 0.20 -0.11 1.28 -0.55 0.00 0.00 175.29 176.13 3hg4 n LEU 387 N 2.97 2.38 -4.06 3.68 4.77 0.11 -1.13 117.00 125.72 3hg4 n LEU 387 Ca 0.01 -0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.76 3hg4 n LEU 387 Cb 0.50 -0.40 -0.12 0.00 -2.33 0.00 0.00 43.42 41.07 3hg4 n LEU 387 CO 0.49 0.69 -0.42 -0.76 -1.33 0.00 0.00 177.39 176.07 3hg4 s LEU 388 N -5.77 2.19 0.44 2.23 1.43 -1.07 -3.33 118.68 114.81 3hg4 s LEU 388 Ca -0.19 -0.44 0.23 0.00 -1.03 0.00 0.00 54.13 52.69 3hg4 s LEU 388 Cb 0.05 -0.28 0.99 0.00 0.03 0.00 0.00 46.19 46.98 3hg4 s LEU 388 CO 0.42 -0.10 1.87 1.55 0.23 0.00 0.00 176.35 180.31 3hg4 h PRO 389 N 4.87 0.00 -5.10 1.29 0.13 -1.89 -1.41 132.00 129.90 3hg4 h PRO 389 Ca -0.35 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.44 3hg4 h PRO 389 Cb 1.20 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 3hg4 h PRO 389 CO 0.43 0.24 -0.71 0.14 -0.23 0.00 0.00 178.00 177.88 3hg4 s VAL 390 N -3.81 1.19 -0.22 1.56 -7.23 -1.25 -5.13 120.40 105.49 3hg4 s VAL 390 Ca -0.01 -2.07 -0.27 0.00 -1.81 0.00 0.00 61.98 57.82 3hg4 s VAL 390 Cb 0.11 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 35.15 3hg4 s VAL 390 CO 0.64 -0.70 0.96 -0.75 -0.31 0.00 0.00 175.10 174.94 3hg4 s LYS 391 N -3.75 4.25 -0.14 4.82 2.20 -1.21 -3.93 119.74 121.97 3hg4 s LYS 391 Ca 0.18 1.21 -0.07 0.00 -0.36 0.00 0.00 55.97 56.93 3hg4 s LYS 391 Cb 0.03 -3.63 0.06 0.00 -1.51 0.00 0.00 37.83 32.77 3hg4 s LYS 391 CO 0.02 -0.55 0.34 0.50 -0.36 0.00 0.00 175.35 175.29 3hg4 s ARG 392 N 2.94 0.30 -0.01 4.03 3.52 -0.28 -5.00 118.95 124.45 3hg4 s ARG 392 Ca 0.41 0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 56.41 3hg4 s ARG 392 Cb -0.15 -0.05 -0.05 0.00 -1.56 0.00 0.00 34.95 33.14 3hg4 s ARG 392 CO 0.08 -0.17 1.32 0.15 -0.81 0.00 0.00 175.30 175.87 3hg4 s LYS 393 N 1.45 4.31 0.02 5.12 1.02 -1.26 -0.05 119.74 130.35 3hg4 s LYS 393 Ca -0.09 1.86 0.20 0.00 0.02 0.00 0.00 55.97 57.96 3hg4 s LYS 393 Cb -0.09 -3.55 -0.18 0.00 -0.52 0.00 0.00 37.83 33.49 3hg4 s LYS 393 CO -0.11 -0.51 0.65 1.28 -0.92 0.00 0.00 175.35 175.74 3hg4 n LEU 394 N 5.19 0.49 0.00 3.17 4.77 0.14 -4.92 117.00 125.84 3hg4 n LEU 394 Ca 0.12 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 3hg4 n LEU 394 Cb 0.45 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3hg4 n LEU 394 CO 0.57 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3hg4 n GLY 395 N 1.37 -0.91 3.76 -0.72 0.00 -1.12 -4.95 105.19 102.63 3hg4 n GLY 395 Ca -0.10 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.38 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 3.78 -0.10 1.61 0.08 -1.26 -1.26 117.98 120.83 3hg4 s PHE 396 Ca 0.00 1.45 0.03 0.00 0.12 0.00 0.00 56.93 58.53 3hg4 s PHE 396 Cb 0.00 -2.74 0.01 0.00 -0.57 0.00 0.00 43.02 39.72 3hg4 s PHE 396 CO 0.00 0.39 -0.19 0.71 -0.10 0.00 0.00 175.22 176.03 3hg4 s TYR 397 N -0.49 2.21 0.63 0.36 1.51 0.43 -4.99 117.35 117.02 3hg4 s TYR 397 Ca 0.36 -0.97 -0.10 0.00 -1.01 0.00 0.00 57.07 55.34 3hg4 s TYR 397 Cb -0.21 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.09 3hg4 s TYR 397 CO 0.23 -0.44 1.01 -1.21 -1.11 0.00 0.00 175.55 174.03 3hg4 s GLU 398 N 0.66 3.29 0.39 -0.62 0.41 -1.26 -1.26 118.70 120.31 3hg4 s GLU 398 Ca -0.13 0.53 0.21 0.00 -0.41 0.00 0.00 54.97 55.17 3hg4 s GLU 398 Cb -0.16 -2.11 1.21 0.00 -1.78 0.00 0.00 34.13 31.29 3hg4 s GLU 398 CO 0.03 -0.69 1.68 2.35 -0.49 0.00 0.00 175.26 178.13 3hg4 h TRP 399 N -0.36 0.72 -0.00 1.61 -0.00 -0.93 0.14 115.95 117.14 3hg4 h TRP 399 Ca -0.45 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.47 3hg4 h TRP 399 Cb 1.22 -0.19 0.00 0.00 -0.00 0.00 0.00 29.16 30.19 3hg4 h TRP 399 CO 0.58 -0.13 -0.01 0.25 -0.00 0.00 0.00 178.44 179.13 3hg4 n THR 400 N -4.82 0.00 -1.57 2.65 -2.24 -1.26 -3.92 114.28 103.12 3hg4 n THR 400 Ca 0.32 -0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.79 3hg4 n THR 400 Cb 1.12 -0.47 0.07 0.00 -2.10 0.00 0.00 70.33 68.95 3hg4 n THR 400 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hg4 s SER 401 N -2.75 4.99 -0.07 3.42 0.01 0.50 -4.90 113.70 114.89 3hg4 s SER 401 Ca 0.22 1.47 0.05 0.00 1.31 0.00 0.00 55.95 59.00 3hg4 s SER 401 Cb 0.20 -2.28 -0.01 0.00 0.21 0.00 0.00 66.02 64.13 3hg4 s SER 401 CO 0.50 -1.68 -0.23 -0.13 0.41 0.00 0.00 173.24 172.11 3hg4 s ARG 402 N -5.10 2.67 -0.09 12.44 0.52 -1.26 -1.44 118.95 126.69 3hg4 s ARG 402 Ca 0.59 -0.86 -0.21 0.00 -0.52 0.00 0.00 55.73 54.73 3hg4 s ARG 402 Cb -0.14 -2.25 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 3hg4 s ARG 402 CO 0.55 0.38 0.61 -1.17 0.02 0.00 0.00 175.30 175.68 3hg4 s LEU 403 N -0.13 4.30 -0.07 2.53 0.20 0.45 -4.91 118.68 121.05 3hg4 s LEU 403 Ca -0.04 1.03 0.02 0.00 0.69 0.00 0.00 54.13 55.84 3hg4 s LEU 403 Cb -0.14 -2.92 0.01 0.00 -0.43 0.00 0.00 46.19 42.71 3hg4 s LEU 403 CO 0.04 -0.07 -0.13 0.00 -0.29 0.00 0.00 176.35 175.90 3hg4 s ARG 404 N 0.72 1.87 0.04 1.98 1.70 -1.26 -1.44 118.95 122.56 3hg4 s ARG 404 Ca 0.33 -0.46 -0.01 0.00 -0.47 0.00 0.00 55.73 55.12 3hg4 s ARG 404 Cb -0.17 -1.54 -0.03 0.00 -0.57 0.00 0.00 34.95 32.64 3hg4 s ARG 404 CO 0.15 0.02 -0.03 -1.12 -1.08 0.00 0.00 175.30 173.24 3hg4 s SER 405 N 0.71 0.39 -0.19 -2.89 0.01 -0.16 -5.00 113.70 106.57 3hg4 s SER 405 Ca -0.13 -0.80 -0.06 0.00 1.31 0.00 0.00 55.95 56.27 3hg4 s SER 405 Cb -0.16 0.17 -0.03 0.00 0.21 0.00 0.00 66.02 66.21 3hg4 s SER 405 CO 0.03 -0.49 0.02 -1.00 0.41 0.00 0.00 173.24 172.21 3hg4 s HIS 406 N -2.98 3.10 -0.12 2.43 3.76 -1.26 0.03 115.29 120.24 3hg4 s HIS 406 Ca -0.02 -0.26 0.02 0.00 -0.15 0.00 0.00 55.06 54.65 3hg4 s HIS 406 Cb 0.01 -2.07 -0.01 0.00 1.11 0.00 0.00 32.58 31.63 3hg4 s HIS 406 CO -0.07 -0.09 -0.18 0.42 -0.85 0.00 0.00 174.74 173.97 3hg4 s ILE 407 N 0.74 2.55 0.44 0.60 1.01 -0.01 -4.85 121.20 121.69 3hg4 s ILE 407 Ca 0.01 -0.84 -0.24 0.00 0.00 0.00 0.00 60.65 59.59 3hg4 s ILE 407 Cb -0.14 -2.04 -0.08 0.00 0.01 0.00 0.00 42.46 40.22 3hg4 s ILE 407 CO 0.02 0.54 1.17 0.20 0.00 0.00 0.00 174.94 176.87 3hg4 s ASN 408 N 0.44 6.29 -0.18 3.58 0.01 -1.26 -1.34 114.94 122.47 3hg4 s ASN 408 Ca -0.13 2.33 -0.39 0.00 -0.71 0.00 0.00 52.86 53.96 3hg4 s ASN 408 Cb -0.17 -2.61 -0.15 0.00 0.41 0.00 0.00 41.25 38.73 3hg4 s ASN 408 CO 0.06 -0.84 1.67 -2.65 -1.51 0.00 0.00 177.10 173.83 3hg4 n PRO 409 N -0.28 1.26 -0.80 -0.60 -0.02 -1.26 -0.60 135.00 132.70 3hg4 n PRO 409 Ca 0.06 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3hg4 n PRO 409 Cb 0.47 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 4.20 0.00 -2.59 3.45 -2.24 0.32 -4.87 114.28 112.55 3hg4 n THR 410 Ca 0.24 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.81 3hg4 n THR 410 Cb 0.16 -0.30 0.04 0.00 -2.10 0.00 0.00 70.33 68.13 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 1.81 -0.01 3.38 0.00 0.23 -3.81 107.32 106.92 3hg4 s GLY 411 Ca 0.00 -1.31 0.03 0.00 0.00 0.00 0.00 44.72 43.44 3hg4 s GLY 411 CO 0.00 -0.99 -0.09 -1.59 0.00 0.00 0.00 173.10 170.43 3hg4 s THR 412 N -2.84 0.68 -0.21 0.90 2.01 -1.26 -2.00 115.64 112.92 3hg4 s THR 412 Ca 0.58 -0.36 -0.10 0.00 0.31 0.00 0.00 61.69 62.12 3hg4 s THR 412 Cb -0.10 -0.58 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 3hg4 s THR 412 CO 0.39 0.20 0.13 -0.69 -0.69 0.00 0.00 174.62 173.96 3hg4 s VAL 413 N -0.15 5.28 -0.15 3.82 1.01 0.26 -3.95 120.40 126.52 3hg4 s VAL 413 Ca 0.03 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 3hg4 s VAL 413 Cb -0.04 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 3hg4 s VAL 413 CO -0.00 0.42 -0.14 -0.22 0.00 0.00 0.00 175.10 175.15 3hg4 s LEU 414 N 0.57 2.55 0.09 3.92 2.96 -0.53 -0.58 118.68 127.66 3hg4 s LEU 414 Ca 0.07 -0.44 0.09 0.00 -0.22 0.00 0.00 54.13 53.63 3hg4 s LEU 414 Cb -0.12 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 3hg4 s LEU 414 CO 0.00 0.10 -0.23 -0.76 -1.32 0.00 0.00 176.35 174.14 3hg4 s LEU 415 N 0.75 2.27 -0.10 -0.68 1.43 0.49 0.07 118.68 122.89 3hg4 s LEU 415 Ca -0.06 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 3hg4 s LEU 415 Cb -0.15 -1.05 -0.02 0.00 0.03 0.00 0.00 46.19 45.00 3hg4 s LEU 415 CO 0.01 0.14 -0.13 -1.58 0.23 0.00 0.00 176.35 175.01 3hg4 s GLN 416 N -1.75 3.11 -0.19 1.70 0.74 0.64 -0.81 119.66 123.10 3hg4 s GLN 416 Ca 0.09 -0.69 -0.02 0.00 0.05 0.00 0.00 55.36 54.80 3hg4 s GLN 416 Cb -0.10 -2.55 -0.01 0.00 1.10 0.00 0.00 33.01 31.45 3hg4 s GLN 416 CO 0.04 0.34 -0.09 -0.51 -0.55 0.00 0.00 175.29 174.53 3hg4 s LEU 417 N 0.01 2.77 -0.25 3.68 1.02 0.62 -1.06 118.68 125.46 3hg4 s LEU 417 Ca -0.04 -0.39 -0.05 0.00 0.02 0.00 0.00 54.13 53.67 3hg4 s LEU 417 Cb -0.14 -1.67 0.00 0.00 0.02 0.00 0.00 46.19 44.40 3hg4 s LEU 417 CO 0.04 0.04 0.01 -1.61 0.02 0.00 0.00 176.35 174.85 3hg4 s GLU 418 N 1.10 3.21 0.37 1.70 0.41 0.62 -1.55 118.70 124.56 3hg4 s GLU 418 Ca 0.01 -0.75 -0.28 0.00 -0.41 0.00 0.00 54.97 53.54 3hg4 s GLU 418 Cb -0.15 -3.17 -0.10 0.00 -1.78 0.00 0.00 34.13 28.94 3hg4 s GLU 418 CO -0.02 -0.32 1.39 1.21 -0.49 0.00 0.00 175.26 177.04 3hg4 s ASN 419 N 1.47 6.43 -0.18 -0.19 3.84 -1.25 0.14 114.94 125.20 3hg4 s ASN 419 Ca 0.04 2.86 0.05 0.00 0.21 0.00 0.00 52.86 56.02 3hg4 s ASN 419 Cb -0.16 -2.66 0.42 0.00 -0.55 0.00 0.00 41.25 38.30 3hg4 s ASN 419 CO -0.01 -0.79 1.33 0.35 -2.79 0.00 0.00 177.10 175.20 3hg4 n THR 420 N 0.45 1.84 -0.79 -5.21 -2.24 -0.89 -4.85 114.28 102.60 3hg4 n THR 420 Ca 0.01 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 3hg4 n THR 420 Cb 0.41 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 3hg4 n THR 420 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73