#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hg3 s LYS 3 N 0.00 0.83 0.21 0.00 -0.14 -1.26 -4.94 119.74 114.43 1hg3 s LYS 3 Ca 0.00 -0.81 0.02 0.00 -1.36 0.00 0.00 55.97 53.82 1hg3 s LYS 3 Cb 0.00 0.34 -0.04 0.00 -1.68 0.00 0.00 37.83 36.46 1hg3 s LYS 3 CO 0.00 -0.27 0.36 -0.51 -0.76 0.00 0.00 175.35 174.17 1hg3 s LEU 4 N -2.60 4.28 -0.48 3.17 1.43 -1.26 -5.01 118.68 118.20 1hg3 s LEU 4 Ca 0.01 0.22 -0.27 0.00 -1.03 0.00 0.00 54.13 53.07 1hg3 s LEU 4 Cb 0.03 -3.00 -0.02 0.00 0.03 0.00 0.00 46.19 43.23 1hg3 s LEU 4 CO -0.09 -0.04 1.87 -0.75 0.23 0.00 0.00 176.35 177.57 1hg3 s LYS 5 N -3.57 2.89 0.00 1.70 2.20 -1.26 -4.89 119.74 116.81 1hg3 s LYS 5 Ca 0.36 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.97 1hg3 s LYS 5 Cb -0.10 -4.32 0.00 0.00 -1.51 0.00 0.00 37.83 31.90 1hg3 s LYS 5 CO 0.29 -2.40 0.00 0.39 -0.36 0.00 0.00 175.35 173.28 1hg3 n GLU 6 N 8.84 0.00 -1.55 4.03 -0.58 -1.26 -4.31 120.64 125.82 1hg3 n GLU 6 Ca 0.23 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.54 1hg3 n GLU 6 Cb 0.50 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.33 1hg3 n GLU 6 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1hg3 n PRO 7 N -0.20 1.41 -4.88 3.49 -0.02 -1.24 -4.47 135.00 129.09 1hg3 n PRO 7 Ca 0.00 0.29 -0.33 0.00 -2.02 0.00 0.00 63.50 61.45 1hg3 n PRO 7 Cb 0.00 -3.07 -0.13 0.00 -0.02 0.00 0.00 33.50 30.27 1hg3 n PRO 7 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1hg3 s ILE 8 N 9.39 3.03 -0.29 4.25 1.01 -0.28 -3.51 121.20 134.79 1hg3 s ILE 8 Ca 1.03 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.98 1hg3 s ILE 8 Cb -0.43 -2.20 0.08 0.00 0.01 0.00 0.00 42.46 39.92 1hg3 s ILE 8 CO 0.36 0.58 0.01 -0.63 0.00 0.00 0.00 174.94 175.25 1hg3 s ILE 9 N -0.47 1.79 -0.30 2.92 -1.09 -0.68 0.76 121.20 124.14 1hg3 s ILE 9 Ca 0.06 -1.75 -0.08 0.00 -2.23 0.00 0.00 60.65 56.65 1hg3 s ILE 9 Cb -0.12 -2.19 0.00 0.00 -1.58 0.00 0.00 42.46 38.57 1hg3 s ILE 9 CO 0.02 -0.39 0.10 0.00 -1.23 0.00 0.00 174.94 173.44 1hg3 s ALA 10 N 1.20 3.14 -0.32 9.38 0.00 0.64 0.22 121.76 136.03 1hg3 s ALA 10 Ca 0.03 -1.40 -0.15 0.00 0.00 0.00 0.00 51.96 50.44 1hg3 s ALA 10 Cb -0.19 -2.22 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 1hg3 s ALA 10 CO -0.10 -0.88 0.38 0.42 0.00 0.00 0.00 175.76 175.58 1hg3 s ILE 11 N 1.55 5.16 -0.51 0.00 1.01 0.17 -1.49 121.20 127.09 1hg3 s ILE 11 Ca 0.04 0.25 -0.20 0.00 0.00 0.00 0.00 60.65 60.73 1hg3 s ILE 11 Cb -0.17 -3.79 0.05 0.00 0.01 0.00 0.00 42.46 38.56 1hg3 s ILE 11 CO 0.04 -0.02 0.68 0.21 0.00 0.00 0.00 174.94 175.85 1hg3 s ASN 12 N 1.71 6.25 0.50 3.58 2.47 0.13 -1.08 114.94 128.50 1hg3 s ASN 12 Ca 0.13 -0.75 0.34 0.00 0.42 0.00 0.00 52.86 53.00 1hg3 s ASN 12 Cb -0.16 -2.32 1.59 0.00 -1.45 0.00 0.00 41.25 38.91 1hg3 s ASN 12 CO 0.11 -0.93 2.01 -0.26 -3.72 0.00 0.00 177.10 174.31 1hg3 h PHE 13 N 9.03 0.00 0.00 0.43 -1.00 -1.72 -3.39 116.94 120.29 1hg3 h PHE 13 Ca -0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.51 1hg3 h PHE 13 Cb 1.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.65 1hg3 h PHE 13 CO 0.78 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 179.11 1hg3 n LYS 14 N -2.82 0.00 -0.72 1.51 5.02 -1.26 -2.88 118.16 117.00 1hg3 n LYS 14 Ca -0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1hg3 n LYS 14 Cb 0.19 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.24 1hg3 n LYS 14 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1hg3 n THR 15 N 0.00 0.48 -2.06 -0.18 5.66 -1.26 -4.46 114.28 112.46 1hg3 n THR 15 Ca 0.00 -0.91 -0.41 0.00 -3.05 0.00 0.00 64.05 59.68 1hg3 n THR 15 Cb 0.00 0.46 -0.02 0.00 -1.55 0.00 0.00 70.33 69.22 1hg3 n THR 15 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1hg3 s TYR 16 N -0.72 2.98 0.47 1.09 2.02 -1.14 -4.92 117.35 117.14 1hg3 s TYR 16 Ca 0.18 1.32 0.16 0.00 -0.37 0.00 0.00 57.07 58.36 1hg3 s TYR 16 Cb 0.18 -3.75 1.15 0.00 -0.40 0.00 0.00 41.96 39.14 1hg3 s TYR 16 CO -0.05 -2.15 2.06 0.97 -1.57 0.00 0.00 175.55 174.81 1hg3 h ILE 17 N 3.12 1.03 0.00 2.71 6.09 -1.96 0.17 117.51 128.67 1hg3 h ILE 17 Ca -0.49 -0.41 0.00 0.00 -1.37 0.00 0.00 64.86 62.59 1hg3 h ILE 17 Cb 1.23 1.22 0.00 0.00 0.47 0.00 0.00 36.82 39.74 1hg3 h ILE 17 CO 0.67 0.12 0.00 -0.33 -3.07 0.00 0.00 178.15 175.54 1hg3 h GLU 18 N 0.00 0.00 -1.06 2.19 3.07 -1.91 -2.95 114.58 113.92 1hg3 h GLU 18 Ca -0.00 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.32 1hg3 h GLU 18 Cb 0.22 0.00 -0.42 0.00 -0.84 0.00 0.00 28.75 27.70 1hg3 h GLU 18 CO 0.02 0.00 -0.82 0.00 -1.40 0.00 0.00 179.01 176.80 1hg3 n ALA 19 N -1.93 4.81 -2.40 3.43 0.00 0.03 -4.10 120.51 120.35 1hg3 n ALA 19 Ca 0.02 -3.92 -0.30 0.00 0.00 0.00 0.00 53.44 49.25 1hg3 n ALA 19 Cb 0.29 -0.48 -0.13 0.00 0.00 0.00 0.00 19.45 19.13 1hg3 n ALA 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1hg3 s THR 20 N -4.86 2.38 0.00 0.00 2.01 -1.09 -4.49 115.64 109.60 1hg3 s THR 20 Ca 0.47 -1.50 0.00 0.00 0.31 0.00 0.00 61.69 60.97 1hg3 s THR 20 Cb 0.40 -2.01 0.00 0.00 0.01 0.00 0.00 72.50 70.90 1hg3 s THR 20 CO -0.06 0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 1hg3 n GLY 21 N 1.30 1.70 0.37 4.40 0.00 -1.26 -0.74 105.19 110.95 1hg3 n GLY 21 Ca -0.17 0.23 0.03 0.00 0.00 0.00 0.00 46.02 46.11 1hg3 n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hg3 h LYS 22 N 0.00 1.13 0.00 1.61 1.57 -1.97 0.17 116.57 119.07 1hg3 h LYS 22 Ca 0.00 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1hg3 h LYS 22 Cb 0.00 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1hg3 h LYS 22 CO 0.00 0.75 -0.39 0.00 -0.57 0.00 0.00 179.45 179.24 1hg3 h ARG 23 N 1.16 0.00 -0.30 3.15 3.08 -1.46 -0.34 114.38 119.68 1hg3 h ARG 23 Ca 0.43 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.35 1hg3 h ARG 23 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1hg3 h ARG 23 CO -0.17 0.39 -0.34 0.00 -1.07 0.00 0.00 179.97 178.77 1hg3 h ALA 24 N 1.61 0.44 -0.70 0.04 0.00 0.13 -2.53 119.26 118.25 1hg3 h ALA 24 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1hg3 h ALA 24 Cb 0.76 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1hg3 h ALA 24 CO 0.05 0.50 0.42 1.25 0.00 0.00 0.00 179.25 181.47 1hg3 h LEU 25 N 0.51 0.84 -0.17 0.00 5.85 -0.10 -1.75 115.31 120.50 1hg3 h LEU 25 Ca 0.04 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1hg3 h LEU 25 Cb 0.92 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1hg3 h LEU 25 CO 0.08 0.66 0.09 -0.33 -0.34 0.00 0.00 178.44 178.60 1hg3 h GLU 26 N 0.97 0.19 -0.51 1.25 5.08 -0.79 -1.40 114.58 119.38 1hg3 h GLU 26 Ca 0.25 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 1hg3 h GLU 26 Cb -0.03 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1hg3 h GLU 26 CO -0.05 0.12 -0.06 0.82 -1.00 0.00 0.00 179.01 178.85 1hg3 h ILE 27 N 0.19 1.26 -0.65 3.13 2.04 -1.04 -1.09 117.51 121.35 1hg3 h ILE 27 Ca 0.06 -1.15 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 1hg3 h ILE 27 Cb -0.00 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1hg3 h ILE 27 CO -0.03 0.40 0.23 0.00 0.00 0.00 0.00 178.15 178.75 1hg3 h ALA 28 N 1.11 1.18 -0.25 1.87 0.00 -1.08 0.15 119.26 122.25 1hg3 h ALA 28 Ca 0.14 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1hg3 h ALA 28 Cb 0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1hg3 h ALA 28 CO 0.03 0.58 -0.44 0.87 0.00 0.00 0.00 179.25 180.30 1hg3 h LYS 29 N 0.95 0.61 -0.47 0.00 1.57 -0.93 0.52 116.57 118.82 1hg3 h LYS 29 Ca 0.22 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1hg3 h LYS 29 Cb 0.23 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1hg3 h LYS 29 CO -0.01 0.93 0.23 0.00 -0.57 0.00 0.00 179.45 180.02 1hg3 h ALA 30 N 1.02 0.61 -0.52 3.86 0.00 -0.53 -0.04 119.26 123.67 1hg3 h ALA 30 Ca 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1hg3 h ALA 30 Cb 0.96 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1hg3 h ALA 30 CO 0.09 0.17 0.24 0.00 0.00 0.00 0.00 179.25 179.75 1hg3 h ALA 31 N 1.07 0.67 -0.50 0.00 0.00 -0.42 -2.11 119.26 117.96 1hg3 h ALA 31 Ca 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1hg3 h ALA 31 Cb 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1hg3 h ALA 31 CO -0.02 0.24 0.09 1.49 0.00 0.00 0.00 179.25 181.05 1hg3 h GLU 32 N 0.69 0.77 0.41 0.00 4.81 -0.61 -1.66 114.58 118.99 1hg3 h GLU 32 Ca 0.18 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1hg3 h GLU 32 Cb 0.13 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1hg3 h GLU 32 CO -0.02 0.72 -0.20 -0.22 -0.73 0.00 0.00 179.01 178.56 1hg3 h LYS 33 N 0.74 -0.53 -0.39 1.92 3.64 -0.63 -0.10 116.57 121.22 1hg3 h LYS 33 Ca 0.16 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.68 1hg3 h LYS 33 Cb 0.32 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1hg3 h LYS 33 CO 0.00 -0.30 0.28 0.28 -2.27 0.00 0.00 179.45 177.44 1hg3 h VAL 34 N -0.65 0.84 -0.12 2.00 2.07 -1.22 -1.29 116.25 117.88 1hg3 h VAL 34 Ca -0.06 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1hg3 h VAL 34 Cb 0.48 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1hg3 h VAL 34 CO 0.09 0.01 -0.14 0.22 0.02 0.00 0.00 177.57 177.78 1hg3 h TYR 35 N 0.07 0.38 -0.56 1.57 3.20 -0.66 -2.88 116.97 118.09 1hg3 h TYR 35 Ca 0.18 -0.12 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1hg3 h TYR 35 Cb 0.64 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 1hg3 h TYR 35 CO -0.00 0.73 0.37 0.87 -1.64 0.00 0.00 178.16 178.49 1hg3 h LYS 36 N -0.08 0.68 -0.85 1.82 1.57 0.10 0.73 116.57 120.54 1hg3 h LYS 36 Ca 0.02 -0.04 -0.43 0.00 -1.87 0.00 0.00 60.65 58.32 1hg3 h LYS 36 Cb 0.67 -0.15 -0.26 0.00 0.08 0.00 0.00 32.23 32.57 1hg3 h LYS 36 CO 0.03 0.45 0.49 -0.85 -0.57 0.00 0.00 179.45 179.00 1hg3 n GLU 37 N -4.46 2.24 0.00 3.15 0.28 -0.83 -4.55 120.64 116.47 1hg3 n GLU 37 Ca 0.06 -3.05 0.00 0.00 -0.16 0.00 0.00 57.16 54.01 1hg3 n GLU 37 Cb 0.10 -2.11 0.00 0.00 1.43 0.00 0.00 31.44 30.86 1hg3 n GLU 37 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1hg3 n THR 38 N -1.09 0.00 0.00 3.84 -1.04 -1.00 -5.01 114.28 109.97 1hg3 n THR 38 Ca 0.54 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.55 1hg3 n THR 38 Cb 1.53 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 70.02 1hg3 n THR 38 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hg3 n GLY 39 N -0.23 1.67 3.74 3.41 0.00 0.22 -5.03 105.19 108.97 1hg3 n GLY 39 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1hg3 n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hg3 s VAL 40 N -2.42 3.58 0.06 1.61 1.01 -1.26 -4.96 120.40 118.02 1hg3 s VAL 40 Ca 0.00 1.34 -0.30 0.00 0.00 0.00 0.00 61.98 63.02 1hg3 s VAL 40 Cb 0.00 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 1hg3 s VAL 40 CO 0.00 0.22 1.78 -0.89 0.00 0.00 0.00 175.10 176.21 1hg3 s THR 41 N -0.10 2.98 -0.29 3.92 2.01 -1.23 -4.66 115.64 118.27 1hg3 s THR 41 Ca 0.52 0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.82 1hg3 s THR 41 Cb -0.32 -3.18 0.08 0.00 0.01 0.00 0.00 72.50 69.09 1hg3 s THR 41 CO 0.37 -0.01 0.01 -0.63 -0.69 0.00 0.00 174.62 173.67 1hg3 s ILE 42 N 3.37 1.67 0.02 1.82 -1.09 -1.26 -1.68 121.20 124.05 1hg3 s ILE 42 Ca 0.80 -1.65 -0.18 0.00 -2.23 0.00 0.00 60.65 57.39 1hg3 s ILE 42 Cb -0.41 -2.09 -0.06 0.00 -1.58 0.00 0.00 42.46 38.32 1hg3 s ILE 42 CO 0.35 -0.38 0.50 -0.69 -1.23 0.00 0.00 174.94 173.49 1hg3 s VAL 43 N 1.26 4.90 -0.07 2.92 1.01 0.13 -4.20 120.40 126.35 1hg3 s VAL 43 Ca 0.03 1.05 0.05 0.00 0.00 0.00 0.00 61.98 63.11 1hg3 s VAL 43 Cb -0.19 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1hg3 s VAL 43 CO -0.11 0.54 -0.24 -0.69 0.00 0.00 0.00 175.10 174.60 1hg3 s VAL 44 N -0.90 2.01 -0.53 2.92 1.01 -0.73 0.46 120.40 124.64 1hg3 s VAL 44 Ca 0.27 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1hg3 s VAL 44 Cb -0.18 -1.71 0.13 0.00 0.00 0.00 0.00 36.38 34.62 1hg3 s VAL 44 CO 0.16 0.55 0.27 0.00 0.00 0.00 0.00 175.10 176.09 1hg3 s ALA 45 N 0.07 3.31 0.71 5.51 0.00 -0.24 0.04 121.76 131.14 1hg3 s ALA 45 Ca -0.10 -3.29 -0.11 0.00 0.00 0.00 0.00 51.96 48.46 1hg3 s ALA 45 Cb -0.15 -2.15 0.02 0.00 0.00 0.00 0.00 23.12 20.83 1hg3 s ALA 45 CO 0.06 -2.02 1.08 -2.14 0.00 0.00 0.00 175.76 172.74 1hg3 s PRO 46 N -0.34 2.81 0.37 0.00 0.02 -1.22 -2.13 135.00 134.52 1hg3 s PRO 46 Ca 0.17 0.58 -0.28 0.00 0.02 0.00 0.00 61.00 61.49 1hg3 s PRO 46 Cb -0.25 -2.01 -0.10 0.00 0.02 0.00 0.00 34.50 32.16 1hg3 s PRO 46 CO -0.01 -1.09 1.41 -0.65 -0.33 0.00 0.00 177.00 176.33 1hg3 s GLN 47 N -5.27 4.14 0.30 5.54 -0.21 -1.26 -4.25 119.66 118.64 1hg3 s GLN 47 Ca 0.58 2.41 0.05 0.00 0.02 0.00 0.00 55.36 58.42 1hg3 s GLN 47 Cb -0.12 -2.95 0.76 0.00 1.00 0.00 0.00 33.01 31.70 1hg3 s GLN 47 CO 0.53 -0.45 1.70 1.25 -2.12 0.00 0.00 175.29 176.20 1hg3 h LEU 48 N 3.03 0.36 -0.33 2.90 5.85 -1.95 0.44 115.31 125.62 1hg3 h LEU 48 Ca -0.50 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1hg3 h LEU 48 Cb 1.24 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.40 1hg3 h LEU 48 CO 0.64 -0.00 0.00 0.55 -0.34 0.00 0.00 178.44 179.29 1hg3 n VAL 49 N -5.04 1.63 0.09 1.05 3.14 -1.26 -1.92 118.33 116.03 1hg3 n VAL 49 Ca 0.23 0.51 0.01 0.00 -2.96 0.00 0.00 64.34 62.13 1hg3 n VAL 49 Cb 0.68 -1.48 -0.00 0.00 -1.06 0.00 0.00 33.84 31.98 1hg3 n VAL 49 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1hg3 n ASP 50 N -1.69 0.46 -0.08 6.55 8.00 0.15 -4.83 116.55 125.11 1hg3 n ASP 50 Ca 0.00 -0.73 -0.06 0.00 0.71 0.00 0.00 54.79 54.71 1hg3 n ASP 50 Cb 0.04 0.66 -0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1hg3 n ASP 50 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1hg3 h LEU 51 N 0.14 -0.49 0.17 0.64 6.46 -0.71 -1.90 115.31 119.63 1hg3 h LEU 51 Ca 0.00 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1hg3 h LEU 51 Cb 0.06 0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1hg3 h LEU 51 CO 0.00 -0.18 -0.17 -0.09 -0.62 0.00 0.00 178.44 177.38 1hg3 h ARG 52 N -0.10 -0.36 -0.60 1.25 2.43 -1.79 0.17 114.38 115.38 1hg3 h ARG 52 Ca 0.16 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.47 1hg3 h ARG 52 Cb 0.34 0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 29.88 1hg3 h ARG 52 CO -0.38 -0.24 0.10 1.98 -1.51 0.00 0.00 179.97 179.92 1hg3 h MET 53 N -0.38 0.22 -0.34 0.20 4.05 -1.84 0.14 114.93 116.97 1hg3 h MET 53 Ca 0.00 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.36 1hg3 h MET 53 Cb 0.36 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1hg3 h MET 53 CO -0.04 0.15 0.01 0.82 0.23 0.00 0.00 176.91 178.08 1hg3 h ILE 54 N 0.23 1.25 0.00 1.77 2.04 -1.03 -2.90 117.51 118.87 1hg3 h ILE 54 Ca 0.32 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 1hg3 h ILE 54 Cb 0.48 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1hg3 h ILE 54 CO -0.43 0.31 -0.20 0.00 0.00 0.00 0.00 178.15 177.83 1hg3 h ALA 55 N 0.87 1.66 0.00 1.87 0.00 0.08 -2.51 119.26 121.23 1hg3 h ALA 55 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1hg3 h ALA 55 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1hg3 h ALA 55 CO 0.02 0.25 -0.06 0.39 0.00 0.00 0.00 179.25 179.85 1hg3 n GLU 56 N -4.29 0.19 -0.09 0.00 1.02 0.40 -3.92 120.64 113.94 1hg3 n GLU 56 Ca -0.02 0.14 0.07 0.00 -0.02 0.00 0.00 57.16 57.32 1hg3 n GLU 56 Cb 0.26 -1.71 0.09 0.00 -0.02 0.00 0.00 31.44 30.07 1hg3 n GLU 56 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1hg3 n SER 57 N -2.02 1.99 -3.78 1.62 3.41 -0.97 -5.03 113.62 108.83 1hg3 n SER 57 Ca 0.06 -2.70 -0.13 0.00 -0.26 0.00 0.00 58.87 55.84 1hg3 n SER 57 Cb 0.40 -0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 1hg3 n SER 57 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1hg3 s VAL 58 N -2.13 0.02 0.04 -3.33 1.01 -1.06 -4.95 120.40 109.99 1hg3 s VAL 58 Ca 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1hg3 s VAL 58 Cb 0.19 -0.48 -0.27 0.00 0.00 0.00 0.00 36.38 35.82 1hg3 s VAL 58 CO 0.02 -0.11 0.98 -0.33 0.00 0.00 0.00 175.10 175.66 1hg3 h GLU 59 N 5.04 0.22 -7.22 2.72 5.08 -1.90 -3.45 114.58 115.08 1hg3 h GLU 59 Ca -0.27 -0.38 -0.53 0.00 -1.00 0.00 0.00 59.36 57.18 1hg3 h GLU 59 Cb 1.19 0.14 0.19 0.00 0.50 0.00 0.00 28.75 30.77 1hg3 h GLU 59 CO 0.35 1.11 0.27 0.44 -1.00 0.00 0.00 179.01 180.18 1hg3 n ILE 60 N -3.45 1.17 -1.75 3.13 -5.35 -1.26 -4.92 119.36 106.93 1hg3 n ILE 60 Ca -0.12 -0.12 -0.42 0.00 -0.27 0.00 0.00 62.75 61.82 1hg3 n ILE 60 Cb 1.03 -1.11 -0.03 0.00 -1.74 0.00 0.00 39.64 37.80 1hg3 n ILE 60 CO 0.00 0.00 0.00 -2.84 -1.76 0.00 0.00 176.55 171.95 1hg3 s PRO 61 N -4.31 4.13 -0.24 6.28 0.02 -1.26 -4.92 135.00 134.69 1hg3 s PRO 61 Ca 0.71 2.59 -0.03 0.00 0.02 0.00 0.00 61.00 64.29 1hg3 s PRO 61 Cb -0.27 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.21 1hg3 s PRO 61 CO 0.54 -0.71 -0.04 0.08 -0.33 0.00 0.00 177.00 176.54 1hg3 s VAL 62 N 0.83 3.16 -0.00 3.83 1.01 -1.26 -1.78 120.40 126.19 1hg3 s VAL 62 Ca 0.71 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1hg3 s VAL 62 Cb -0.49 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1hg3 s VAL 62 CO 0.37 0.26 0.12 -0.36 0.00 0.00 0.00 175.10 175.49 1hg3 s PHE 63 N 1.40 3.39 0.69 5.22 0.40 0.11 -1.19 117.98 127.98 1hg3 s PHE 63 Ca 0.02 0.26 -0.10 0.00 -0.60 0.00 0.00 56.93 56.51 1hg3 s PHE 63 Cb -0.16 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.62 1hg3 s PHE 63 CO -0.03 0.59 1.06 0.00 0.70 0.00 0.00 175.22 177.54 1hg3 s ALA 64 N -1.26 2.97 -0.79 5.36 0.00 -0.33 -3.39 121.76 124.32 1hg3 s ALA 64 Ca 0.25 -0.42 0.24 0.00 0.00 0.00 0.00 51.96 52.03 1hg3 s ALA 64 Cb -0.12 -2.94 0.29 0.00 0.00 0.00 0.00 23.12 20.35 1hg3 s ALA 64 CO 0.16 -1.08 1.25 1.04 0.00 0.00 0.00 175.76 177.13 1hg3 n GLN 65 N -2.93 0.16 -3.63 0.00 6.02 -1.26 -1.07 117.38 114.67 1hg3 n GLN 65 Ca 0.06 0.02 -0.03 0.00 -0.01 0.00 0.00 57.00 57.05 1hg3 n GLN 65 Cb 0.57 -1.58 -0.04 0.00 1.02 0.00 0.00 30.24 30.22 1hg3 n GLN 65 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1hg3 s HIS 66 N -3.10 -0.07 0.02 1.08 5.04 -1.21 -4.28 115.29 112.76 1hg3 s HIS 66 Ca 0.07 0.11 -0.06 0.00 -1.54 0.00 0.00 55.06 53.65 1hg3 s HIS 66 Cb 0.15 0.49 -0.01 0.00 0.04 0.00 0.00 32.58 33.26 1hg3 s HIS 66 CO 0.74 -0.08 0.10 0.96 -2.34 0.00 0.00 174.74 174.13 1hg3 s ILE 67 N -1.30 0.10 0.22 0.89 -4.36 -1.26 -4.94 121.20 110.55 1hg3 s ILE 67 Ca 0.08 -0.86 0.03 0.00 -0.26 0.00 0.00 60.65 59.64 1hg3 s ILE 67 Cb -0.01 -0.57 -0.03 0.00 1.25 0.00 0.00 42.46 43.09 1hg3 s ILE 67 CO -0.06 -0.48 0.36 -1.81 0.24 0.00 0.00 174.94 173.19 1hg3 s ASP 68 N -1.66 6.33 0.00 4.36 1.01 -0.91 -4.96 116.67 120.84 1hg3 s ASP 68 Ca -0.11 0.18 -0.04 0.00 0.71 0.00 0.00 52.55 53.29 1hg3 s ASP 68 Cb -0.06 -1.91 -0.17 0.00 1.01 0.00 0.00 42.92 41.80 1hg3 s ASP 68 CO -0.01 -0.05 2.87 -2.65 0.21 0.00 0.00 175.17 175.54 1hg3 n PRO 69 N -1.07 1.53 -4.16 8.23 -0.02 -1.26 -4.53 135.00 133.72 1hg3 n PRO 69 Ca -0.07 -0.61 -0.22 0.00 -2.02 0.00 0.00 63.50 60.57 1hg3 n PRO 69 Cb 0.56 -1.65 -0.05 0.00 -0.02 0.00 0.00 33.50 32.33 1hg3 n PRO 69 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1hg3 s ILE 70 N 0.83 3.98 0.27 4.25 -4.36 -1.26 -4.91 121.20 120.00 1hg3 s ILE 70 Ca 0.41 -1.59 0.08 0.00 -0.26 0.00 0.00 60.65 59.29 1hg3 s ILE 70 Cb 0.20 -3.18 -0.04 0.00 1.25 0.00 0.00 42.46 40.69 1hg3 s ILE 70 CO 0.00 -0.34 0.16 -0.54 0.24 0.00 0.00 174.94 174.46 1hg3 s LYS 71 N -3.80 2.73 0.26 0.37 -0.14 -1.26 -4.54 119.74 113.36 1hg3 s LYS 71 Ca 0.33 -1.19 -0.30 0.00 -1.36 0.00 0.00 55.97 53.45 1hg3 s LYS 71 Cb -0.07 -2.44 -0.13 0.00 -1.68 0.00 0.00 37.83 33.50 1hg3 s LYS 71 CO 0.23 0.35 1.32 -2.30 -0.76 0.00 0.00 175.35 174.19 1hg3 n PRO 72 N -1.13 1.91 0.00 -1.68 -0.02 -1.26 -4.76 135.00 128.05 1hg3 n PRO 72 Ca -0.07 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1hg3 n PRO 72 Cb 0.58 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1hg3 n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hg3 n GLY 73 N 1.76 -0.50 3.38 -1.23 0.00 -1.26 -5.05 105.19 102.29 1hg3 n GLY 73 Ca 0.10 -0.46 -0.45 0.00 0.00 0.00 0.00 46.02 45.20 1hg3 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hg3 s SER 74 N -4.00 6.92 -0.39 1.61 0.01 -1.26 -4.84 113.70 111.76 1hg3 s SER 74 Ca 0.00 -2.82 0.09 0.00 1.31 0.00 0.00 55.95 54.54 1hg3 s SER 74 Cb 0.00 -2.28 0.28 0.00 0.21 0.00 0.00 66.02 64.23 1hg3 s SER 74 CO 0.00 -0.64 0.59 1.41 0.41 0.00 0.00 173.24 175.01 1hg3 n HIS 75 N 4.52 -0.15 -1.63 2.43 -0.00 -1.26 -5.11 115.22 114.02 1hg3 n HIS 75 Ca 0.22 -3.65 -0.49 0.00 -0.00 0.00 0.00 57.72 53.80 1hg3 n HIS 75 Cb 0.45 -0.38 -0.05 0.00 -0.00 0.00 0.00 29.99 30.01 1hg3 n HIS 75 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1hg3 n THR 76 N 1.02 0.02 -0.78 1.59 -1.04 -1.26 -1.33 114.28 112.50 1hg3 n THR 76 Ca 0.22 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 1hg3 n THR 76 Cb 0.57 -1.17 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 1hg3 n THR 76 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hg3 n GLY 77 N 2.98 1.21 3.93 3.41 0.00 -1.26 -5.02 105.19 110.44 1hg3 n GLY 77 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1hg3 n GLY 77 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hg3 s HIS 78 N -3.52 3.49 -0.53 1.61 4.02 -0.44 -5.05 115.29 114.86 1hg3 s HIS 78 Ca 0.00 0.45 -0.21 0.00 1.02 0.00 0.00 55.06 56.32 1hg3 s HIS 78 Cb 0.00 -1.97 0.05 0.00 -1.02 0.00 0.00 32.58 29.65 1hg3 s HIS 78 CO 0.00 0.15 0.76 0.08 1.02 0.00 0.00 174.74 176.76 1hg3 s VAL 79 N -2.21 4.66 -0.15 -0.90 1.01 -1.26 -5.01 120.40 116.54 1hg3 s VAL 79 Ca 0.41 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 1hg3 s VAL 79 Cb -0.10 -4.41 -0.01 0.00 0.00 0.00 0.00 36.38 31.85 1hg3 s VAL 79 CO 0.34 -0.96 1.23 -0.22 0.00 0.00 0.00 175.10 175.49 1hg3 s LEU 80 N 3.21 4.19 0.19 3.92 2.96 -1.26 -2.15 118.68 129.73 1hg3 s LEU 80 Ca 0.21 1.68 -0.14 0.00 -0.22 0.00 0.00 54.13 55.67 1hg3 s LEU 80 Cb -0.17 -3.54 0.18 0.00 0.50 0.00 0.00 46.19 43.16 1hg3 s LEU 80 CO 0.15 -0.72 1.68 -0.65 -1.32 0.00 0.00 176.35 175.49 1hg3 h PRO 81 N 8.00 0.10 0.00 0.98 0.11 -1.80 -1.51 132.00 137.88 1hg3 h PRO 81 Ca -0.27 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 1hg3 h PRO 81 Cb 1.11 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1hg3 h PRO 81 CO 0.95 0.06 -0.26 1.05 -0.21 0.00 0.00 178.00 179.60 1hg3 h GLU 82 N 0.10 0.00 -0.40 1.05 9.09 -1.92 -0.69 114.58 121.81 1hg3 h GLU 82 Ca 0.25 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.60 1hg3 h GLU 82 Cb 0.37 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.45 1hg3 h GLU 82 CO -0.42 0.26 0.02 0.00 0.05 0.00 0.00 179.01 178.92 1hg3 h ALA 83 N 1.74 0.53 -0.40 1.06 0.00 -1.71 0.19 119.26 120.67 1hg3 h ALA 83 Ca -0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1hg3 h ALA 83 Cb 0.45 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1hg3 h ALA 83 CO 0.03 0.29 -0.02 0.28 0.00 0.00 0.00 179.25 179.84 1hg3 h VAL 84 N 0.52 1.22 -0.01 0.00 2.07 -0.89 -1.96 116.25 117.20 1hg3 h VAL 84 Ca 0.11 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1hg3 h VAL 84 Cb 0.44 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1hg3 h VAL 84 CO 0.02 0.32 -0.00 0.50 0.02 0.00 0.00 177.57 178.42 1hg3 h LYS 85 N 0.60 0.03 0.00 1.57 1.63 -0.67 -2.83 116.57 116.90 1hg3 h LYS 85 Ca 0.12 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 1hg3 h LYS 85 Cb 0.40 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1hg3 h LYS 85 CO 0.02 0.38 -0.08 1.49 -3.45 0.00 0.00 179.45 177.81 1hg3 h GLU 86 N -0.33 0.00 0.00 1.90 4.81 -0.47 -1.16 114.58 119.33 1hg3 h GLU 86 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1hg3 h GLU 86 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1hg3 h GLU 86 CO 0.00 0.08 0.00 0.00 -0.73 0.00 0.00 179.01 178.36 1hg3 n ALA 87 N -2.32 1.97 0.00 2.92 0.00 -0.75 -4.89 120.51 117.43 1hg3 n ALA 87 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1hg3 n ALA 87 Cb 0.18 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1hg3 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hg3 n GLY 88 N 0.44 0.55 3.75 0.00 0.00 -0.44 -4.14 105.19 105.36 1hg3 n GLY 88 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1hg3 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hg3 s ALA 89 N -2.00 2.53 -0.37 4.61 0.00 -1.15 -4.74 121.76 120.65 1hg3 s ALA 89 Ca 0.00 0.96 0.03 0.00 0.00 0.00 0.00 51.96 52.96 1hg3 s ALA 89 Cb 0.00 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.73 1hg3 s ALA 89 CO 0.00 -1.16 0.78 1.33 0.00 0.00 0.00 175.76 176.70 1hg3 n VAL 90 N -1.65 0.36 -3.92 0.00 0.24 -0.33 -4.73 118.33 108.30 1hg3 n VAL 90 Ca 0.13 -0.68 -0.01 0.00 -2.04 0.00 0.00 64.34 61.74 1hg3 n VAL 90 Cb 0.50 0.86 0.02 0.00 -1.47 0.00 0.00 33.84 33.75 1hg3 n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hg3 n GLY 91 N 0.05 0.51 3.41 7.63 0.00 -1.25 -1.49 105.19 114.05 1hg3 n GLY 91 Ca 0.03 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 1hg3 n GLY 91 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1hg3 s THR 92 N -2.06 0.02 0.33 2.61 -1.32 0.45 -1.19 115.64 114.48 1hg3 s THR 92 Ca 0.24 -0.18 -0.10 0.00 -1.21 0.00 0.00 61.69 60.44 1hg3 s THR 92 Cb -0.02 -0.84 -0.07 0.00 -1.51 0.00 0.00 72.50 70.06 1hg3 s THR 92 CO 0.04 -0.10 0.67 -0.76 -2.21 0.00 0.00 174.62 172.26 1hg3 s LEU 93 N -1.11 4.00 0.00 9.08 1.43 -0.23 -1.39 118.68 130.45 1hg3 s LEU 93 Ca -0.11 1.03 -0.09 0.00 -1.03 0.00 0.00 54.13 53.93 1hg3 s LEU 93 Cb -0.02 -3.86 0.01 0.00 0.03 0.00 0.00 46.19 42.35 1hg3 s LEU 93 CO 0.07 -0.25 0.17 -0.76 0.23 0.00 0.00 176.35 175.82 1hg3 s LEU 94 N -3.39 1.41 -1.53 1.79 1.43 -0.47 -3.34 118.68 114.58 1hg3 s LEU 94 Ca 0.49 -0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 53.29 1hg3 s LEU 94 Cb -0.11 0.81 0.08 0.00 0.03 0.00 0.00 46.19 47.01 1hg3 s LEU 94 CO 0.26 -0.41 0.98 -3.20 0.23 0.00 0.00 176.35 174.22 1hg3 n ASN 95 N 1.33 -4.73 -4.78 2.29 5.15 -1.26 -0.09 115.26 113.17 1hg3 n ASN 95 Ca -0.22 -0.78 -0.35 0.00 -0.60 0.00 0.00 54.58 52.63 1hg3 n ASN 95 Cb 0.56 -3.91 0.00 0.00 -0.53 0.00 0.00 39.78 35.90 1hg3 n ASN 95 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 1hg3 s HIS 96 N -3.31 2.70 0.43 1.20 5.65 -1.25 -4.11 115.29 116.59 1hg3 s HIS 96 Ca 0.64 1.55 0.24 0.00 0.25 0.00 0.00 55.06 57.74 1hg3 s HIS 96 Cb -0.32 -3.26 1.24 0.00 -1.18 0.00 0.00 32.58 29.05 1hg3 s HIS 96 CO 0.83 -1.51 1.74 1.03 -0.65 0.00 0.00 174.74 176.18 1hg3 h SER 97 N 1.17 0.34 -0.04 9.88 0.87 -1.92 0.39 113.55 124.24 1hg3 h SER 97 Ca -0.50 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1hg3 h SER 97 Cb 1.26 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1hg3 h SER 97 CO 0.57 0.02 0.00 -0.62 -0.53 0.00 0.00 176.83 176.27 1hg3 n GLU 98 N -4.58 1.40 -2.76 2.24 1.02 -1.26 -4.20 120.64 112.50 1hg3 n GLU 98 Ca 0.28 -0.59 -0.09 0.00 -0.02 0.00 0.00 57.16 56.74 1hg3 n GLU 98 Cb 1.05 -1.44 0.08 0.00 -0.02 0.00 0.00 31.44 31.11 1hg3 n GLU 98 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1hg3 n ASN 99 N -0.25 -1.43 -4.75 1.62 5.15 0.13 -5.14 115.26 110.59 1hg3 n ASN 99 Ca 0.19 -3.05 -0.39 0.00 -0.60 0.00 0.00 54.58 50.73 1hg3 n ASN 99 Cb 0.24 1.05 0.03 0.00 -0.53 0.00 0.00 39.78 40.57 1hg3 n ASN 99 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1hg3 n ARG 100 N -0.06 1.91 -4.15 1.20 1.74 -0.81 -3.85 116.66 112.64 1hg3 n ARG 100 Ca 0.05 0.69 -0.23 0.00 -0.77 0.00 0.00 57.85 57.60 1hg3 n ARG 100 Cb 0.77 -2.60 -0.06 0.00 -1.02 0.00 0.00 32.46 29.55 1hg3 n ARG 100 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1hg3 s MET 101 N -2.71 2.43 -0.06 5.56 -1.94 -1.26 -4.98 119.30 116.34 1hg3 s MET 101 Ca 0.67 -1.43 -0.28 0.00 -1.71 0.00 0.00 55.69 52.94 1hg3 s MET 101 Cb -0.43 -2.23 -0.02 0.00 2.01 0.00 0.00 34.83 34.15 1hg3 s MET 101 CO 0.52 0.23 0.92 0.42 -0.01 0.00 0.00 175.02 177.11 1hg3 s ILE 102 N -2.35 4.87 0.16 2.53 1.01 -1.26 -4.89 121.20 121.27 1hg3 s ILE 102 Ca 0.35 1.90 -0.14 0.00 0.00 0.00 0.00 60.65 62.77 1hg3 s ILE 102 Cb -0.05 -4.25 0.15 0.00 0.01 0.00 0.00 42.46 38.32 1hg3 s ILE 102 CO 0.22 0.11 1.11 -0.11 0.00 0.00 0.00 174.94 176.27 1hg3 n LEU 103 N 4.38 -0.50 -0.27 2.97 7.94 -1.26 0.12 117.00 130.38 1hg3 n LEU 103 Ca 0.05 1.25 -0.00 0.00 -1.11 0.00 0.00 56.01 56.20 1hg3 n LEU 103 Cb 0.50 -0.27 0.12 0.00 0.53 0.00 0.00 43.42 44.30 1hg3 n LEU 103 CO 0.51 -1.11 1.14 0.00 -1.11 0.00 0.00 177.39 176.82 1hg3 h ALA 104 N 0.91 1.05 -0.54 1.96 0.00 -2.01 -1.85 119.26 118.78 1hg3 h ALA 104 Ca 0.23 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1hg3 h ALA 104 Cb 0.41 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1hg3 h ALA 104 CO -0.71 0.15 0.06 -0.44 0.00 0.00 0.00 179.25 178.31 1hg3 h ASP 105 N 0.82 0.84 0.15 0.00 3.32 -0.71 -2.51 116.42 118.32 1hg3 h ASP 105 Ca 0.34 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1hg3 h ASP 105 Cb 0.20 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1hg3 h ASP 105 CO -0.19 0.87 -0.07 0.25 -1.72 0.00 0.00 179.24 178.38 1hg3 h LEU 106 N 0.83 -0.17 -1.01 1.55 6.46 -0.42 0.24 115.31 122.79 1hg3 h LEU 106 Ca 0.17 -0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.84 1hg3 h LEU 106 Cb 0.41 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 1hg3 h LEU 106 CO 0.01 -0.09 -0.28 1.05 -0.62 0.00 0.00 178.44 178.52 1hg3 h GLU 107 N -0.23 0.00 -0.17 1.25 -0.00 -1.47 -0.84 114.58 113.11 1hg3 h GLU 107 Ca -0.02 0.00 -0.21 0.00 -0.00 0.00 0.00 59.36 59.13 1hg3 h GLU 107 Cb 0.18 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 28.94 1hg3 h GLU 107 CO 0.03 0.28 -0.71 0.00 -0.00 0.00 0.00 179.01 178.61 1hg3 h ALA 108 N 1.72 0.41 -0.51 1.06 0.00 -1.16 -2.01 119.26 118.78 1hg3 h ALA 108 Ca -0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 1hg3 h ALA 108 Cb 0.82 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1hg3 h ALA 108 CO 0.04 0.70 -0.07 0.00 0.00 0.00 0.00 179.25 179.91 1hg3 h ALA 109 N 0.67 0.91 -0.15 0.00 0.00 -0.09 0.25 119.26 120.85 1hg3 h ALA 109 Ca -0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1hg3 h ALA 109 Cb 1.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1hg3 h ALA 109 CO 0.14 0.64 0.06 0.82 0.00 0.00 0.00 179.25 180.91 1hg3 h ILE 110 N 0.83 1.16 -0.39 0.00 2.04 -1.08 0.12 117.51 120.19 1hg3 h ILE 110 Ca 0.14 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.53 1hg3 h ILE 110 Cb 0.59 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1hg3 h ILE 110 CO 0.04 0.15 0.24 0.03 0.00 0.00 0.00 178.15 178.60 1hg3 h ARG 111 N 0.09 0.47 -0.82 2.37 2.47 -1.12 -1.88 114.38 115.95 1hg3 h ARG 111 Ca 0.05 -0.03 0.08 0.00 -1.26 0.00 0.00 59.98 58.82 1hg3 h ARG 111 Cb 0.18 -0.10 -0.07 0.00 -1.65 0.00 0.00 29.97 28.33 1hg3 h ARG 111 CO -0.00 0.31 0.48 -0.09 0.56 0.00 0.00 179.97 181.22 1hg3 h ARG 112 N 0.48 0.81 -0.16 0.04 9.65 -0.22 -1.22 114.38 123.74 1hg3 h ARG 112 Ca 0.15 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 58.91 1hg3 h ARG 112 Cb -0.02 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.37 1hg3 h ARG 112 CO -0.06 0.53 -0.21 0.00 2.80 0.00 0.00 179.97 183.04 1hg3 h ALA 113 N 1.43 1.35 -0.14 2.80 0.00 -0.13 -2.61 119.26 121.97 1hg3 h ALA 113 Ca 0.38 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1hg3 h ALA 113 Cb 0.29 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1hg3 h ALA 113 CO -0.22 0.45 -0.17 0.93 0.00 0.00 0.00 179.25 180.23 1hg3 h GLU 114 N 0.26 0.36 -1.00 0.00 5.08 -0.49 0.72 114.58 119.51 1hg3 h GLU 114 Ca 0.05 -0.20 0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1hg3 h GLU 114 Cb 0.52 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 1hg3 h GLU 114 CO 0.03 0.77 0.63 0.93 -1.00 0.00 0.00 179.01 180.38 1hg3 h GLU 115 N -0.03 0.98 -0.00 2.33 5.08 -1.19 -0.66 114.58 121.08 1hg3 h GLU 115 Ca 0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1hg3 h GLU 115 Cb 0.72 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1hg3 h GLU 115 CO 0.04 0.65 -0.35 0.28 -1.00 0.00 0.00 179.01 178.63 1hg3 n VAL 116 N -4.60 0.00 -2.01 3.13 0.31 -1.00 -4.97 118.33 109.19 1hg3 n VAL 116 Ca 0.18 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 1hg3 n VAL 116 Cb 0.34 0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 1hg3 n VAL 116 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hg3 n GLY 117 N 1.49 0.73 3.52 2.92 0.00 0.03 -4.98 105.19 108.90 1hg3 n GLY 117 Ca 0.06 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 1hg3 n GLY 117 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hg3 s LEU 118 N -0.41 3.26 0.66 0.99 1.43 0.23 -4.82 118.68 120.01 1hg3 s LEU 118 Ca 0.00 -0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 52.85 1hg3 s LEU 118 Cb 0.00 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.45 1hg3 s LEU 118 CO 0.00 0.21 1.13 -0.04 0.23 0.00 0.00 176.35 177.88 1hg3 s MET 119 N 0.12 2.73 -0.09 1.70 -1.94 -0.56 -4.27 119.30 117.00 1hg3 s MET 119 Ca -0.01 1.48 0.04 0.00 -1.71 0.00 0.00 55.69 55.49 1hg3 s MET 119 Cb -0.14 -1.93 -0.00 0.00 2.01 0.00 0.00 34.83 34.77 1hg3 s MET 119 CO 0.03 -1.32 -0.23 0.95 -0.01 0.00 0.00 175.02 174.44 1hg3 s THR 120 N -2.21 1.94 -0.40 2.05 -4.23 -1.26 -0.41 115.64 111.12 1hg3 s THR 120 Ca 0.69 -0.96 0.02 0.00 -1.18 0.00 0.00 61.69 60.26 1hg3 s THR 120 Cb -0.22 -1.67 0.12 0.00 1.34 0.00 0.00 72.50 72.06 1hg3 s THR 120 CO 0.41 0.54 0.16 -0.32 -0.54 0.00 0.00 174.62 174.86 1hg3 s MET 121 N 0.26 1.34 -0.13 3.99 0.00 -0.49 -0.92 119.30 123.35 1hg3 s MET 121 Ca -0.15 -1.87 -0.19 0.00 0.00 0.00 0.00 55.69 53.48 1hg3 s MET 121 Cb -0.17 -2.69 -0.04 0.00 0.00 0.00 0.00 34.83 31.94 1hg3 s MET 121 CO 0.07 -1.05 0.52 0.08 0.00 0.00 0.00 175.02 174.64 1hg3 s VAL 122 N 0.67 5.15 0.32 10.11 1.01 0.12 -1.37 120.40 136.40 1hg3 s VAL 122 Ca 0.14 1.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.98 1hg3 s VAL 122 Cb -0.22 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 1hg3 s VAL 122 CO -0.08 0.28 0.75 0.00 0.00 0.00 0.00 175.10 176.06 1hg3 s SER 124 N -2.16 1.37 -0.00 0.00 1.04 0.36 -4.72 113.70 109.60 1hg3 s SER 124 Ca 0.53 -0.88 0.15 0.00 0.48 0.00 0.00 55.95 56.23 1hg3 s SER 124 Cb -0.11 0.03 -0.18 0.00 0.10 0.00 0.00 66.02 65.86 1hg3 s SER 124 CO 0.18 -0.33 0.59 -0.46 0.98 0.00 0.00 173.24 174.20 1hg3 n ASN 125 N 0.34 0.84 -3.80 7.02 6.94 -1.26 -1.43 115.26 123.91 1hg3 n ASN 125 Ca -0.15 -0.71 -0.06 0.00 -0.02 0.00 0.00 54.58 53.65 1hg3 n ASN 125 Cb 0.59 1.12 -0.02 0.00 -2.36 0.00 0.00 39.78 39.11 1hg3 n ASN 125 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1hg3 s ASN 126 N -2.65 -0.22 0.15 0.53 6.03 -1.26 -4.41 114.94 113.11 1hg3 s ASN 126 Ca 0.04 -0.56 -0.21 0.00 -1.03 0.00 0.00 52.86 51.09 1hg3 s ASN 126 Cb 0.11 0.66 0.04 0.00 -3.03 0.00 0.00 41.25 39.03 1hg3 s ASN 126 CO 0.62 -1.22 1.64 -0.65 -2.03 0.00 0.00 177.10 175.47 1hg3 h PRO 127 N 2.00 -0.17 -0.35 3.55 0.11 -1.94 0.56 132.00 135.76 1hg3 h PRO 127 Ca -0.21 0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.98 1hg3 h PRO 127 Cb 1.24 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.33 1hg3 h PRO 127 CO 0.24 -0.12 -0.05 0.00 -0.21 0.00 0.00 178.00 177.86 1hg3 h ALA 128 N 0.96 0.27 -0.55 -0.75 0.00 -1.97 0.13 119.26 117.33 1hg3 h ALA 128 Ca 0.14 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1hg3 h ALA 128 Cb 0.40 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1hg3 h ALA 128 CO -0.37 -0.44 0.17 0.28 0.00 0.00 0.00 179.25 178.89 1hg3 h VAL 129 N 0.04 1.22 -0.77 0.00 2.07 -1.90 -1.64 116.25 115.26 1hg3 h VAL 129 Ca 0.17 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1hg3 h VAL 129 Cb 0.25 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1hg3 h VAL 129 CO -0.33 0.28 0.49 0.28 0.02 0.00 0.00 177.57 178.31 1hg3 h SER 130 N 0.80 0.89 -0.32 0.57 0.02 0.10 0.11 113.55 115.73 1hg3 h SER 130 Ca 0.18 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 1hg3 h SER 130 Cb 0.24 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1hg3 h SER 130 CO -0.01 0.66 -0.11 0.00 -1.14 0.00 0.00 176.83 176.23 1hg3 h ALA 131 N 1.50 0.44 -0.60 3.77 0.00 -0.10 -1.73 119.26 122.54 1hg3 h ALA 131 Ca 0.28 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1hg3 h ALA 131 Cb -0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1hg3 h ALA 131 CO -0.06 0.31 0.36 0.00 0.00 0.00 0.00 179.25 179.85 1hg3 h ALA 132 N 0.78 0.76 -0.80 0.00 0.00 -0.53 -2.14 119.26 117.33 1hg3 h ALA 132 Ca 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1hg3 h ALA 132 Cb 0.62 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1hg3 h ALA 132 CO 0.04 0.25 0.47 0.28 0.00 0.00 0.00 179.25 180.29 1hg3 h VAL 133 N 0.81 1.23 -1.00 0.00 2.07 -0.72 -2.56 116.25 116.08 1hg3 h VAL 133 Ca 0.21 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.26 1hg3 h VAL 133 Cb -0.01 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 29.82 1hg3 h VAL 133 CO -0.04 0.24 0.65 0.00 0.02 0.00 0.00 177.57 178.44 1hg3 h ALA 134 N 1.25 1.35 0.00 1.67 0.00 -0.73 -1.01 119.26 121.80 1hg3 h ALA 134 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1hg3 h ALA 134 Cb -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.41 1hg3 h ALA 134 CO -0.05 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1hg3 n ALA 135 N -2.37 1.42 1.44 0.00 0.00 -0.86 -0.33 120.51 119.81 1hg3 n ALA 135 Ca 0.14 0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.82 1hg3 n ALA 135 Cb 0.10 -1.33 0.53 0.00 0.00 0.00 0.00 19.45 18.75 1hg3 n ALA 135 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1hg3 n LEU 136 N -2.13 0.97 -3.50 0.00 4.77 -0.38 -4.98 117.00 111.74 1hg3 n LEU 136 Ca 0.01 -0.26 -0.20 0.00 -0.03 0.00 0.00 56.01 55.53 1hg3 n LEU 136 Cb 0.15 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1hg3 n LEU 136 CO 0.15 0.17 0.01 -3.20 -1.33 0.00 0.00 177.39 173.19 1hg3 n ASN 137 N -0.46 -3.25 -4.45 -1.43 5.15 0.55 -4.96 115.26 106.41 1hg3 n ASN 137 Ca 0.16 -0.75 -0.27 0.00 -0.60 0.00 0.00 54.58 53.11 1hg3 n ASN 137 Cb 0.31 -4.60 0.14 0.00 -0.53 0.00 0.00 39.78 35.11 1hg3 n ASN 137 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1hg3 s PRO 138 N -5.40 1.24 -0.07 1.20 0.02 -1.26 -5.00 135.00 125.73 1hg3 s PRO 138 Ca 0.17 -0.57 -0.26 0.00 0.02 0.00 0.00 61.00 60.35 1hg3 s PRO 138 Cb -0.03 -2.04 -0.24 0.00 0.02 0.00 0.00 34.50 32.20 1hg3 s PRO 138 CO 0.77 -1.92 0.99 -0.44 -0.33 0.00 0.00 177.00 176.07 1hg3 h ASP 139 N -1.13 0.13 -4.62 2.53 3.32 -1.86 -3.42 116.42 111.37 1hg3 h ASP 139 Ca -0.42 -0.80 -0.34 0.00 0.02 0.00 0.00 57.03 55.50 1hg3 h ASP 139 Cb 1.26 -0.04 -0.21 0.00 0.22 0.00 0.00 39.33 40.56 1hg3 h ASP 139 CO 0.43 0.91 -0.75 -0.31 -1.72 0.00 0.00 179.24 177.80 1hg3 s TYR 140 N -3.03 0.93 -0.11 4.55 1.51 -0.10 -2.09 117.35 119.01 1hg3 s TYR 140 Ca -0.17 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.42 1hg3 s TYR 140 Cb -0.00 -0.53 0.01 0.00 -0.11 0.00 0.00 41.96 41.33 1hg3 s TYR 140 CO 0.72 -0.02 -0.18 0.54 -1.11 0.00 0.00 175.55 175.50 1hg3 s VAL 141 N -1.41 1.68 -0.31 0.71 0.11 -0.15 0.10 120.40 121.13 1hg3 s VAL 141 Ca -0.06 -0.76 -0.05 0.00 -2.93 0.00 0.00 61.98 58.18 1hg3 s VAL 141 Cb -0.10 -1.50 0.03 0.00 -1.53 0.00 0.00 36.38 33.28 1hg3 s VAL 141 CO 0.01 0.48 0.06 0.00 -3.33 0.00 0.00 175.10 172.32 1hg3 s ALA 142 N 0.83 2.97 -0.17 1.54 0.00 0.15 -1.43 121.76 125.65 1hg3 s ALA 142 Ca -0.09 -1.65 -0.28 0.00 0.00 0.00 0.00 51.96 49.94 1hg3 s ALA 142 Cb -0.16 -2.12 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 1hg3 s ALA 142 CO 0.00 -1.18 0.94 0.08 0.00 0.00 0.00 175.76 175.61 1hg3 s VAL 143 N 1.39 4.79 -0.23 0.00 1.01 -0.60 -0.48 120.40 126.28 1hg3 s VAL 143 Ca -0.01 1.87 -0.03 0.00 0.00 0.00 0.00 61.98 63.80 1hg3 s VAL 143 Cb -0.19 -4.24 0.10 0.00 0.00 0.00 0.00 36.38 32.06 1hg3 s VAL 143 CO 0.01 -0.04 0.22 -1.61 0.00 0.00 0.00 175.10 173.68 1hg3 s GLU 144 N 2.41 0.21 0.05 2.72 2.02 -0.51 -0.53 118.70 125.06 1hg3 s GLU 144 Ca 0.43 0.00 -0.30 0.00 0.02 0.00 0.00 54.97 55.12 1hg3 s GLU 144 Cb -0.17 -1.13 -0.09 0.00 0.10 0.00 0.00 34.13 32.85 1hg3 s GLU 144 CO 0.12 -0.79 1.87 -2.14 0.02 0.00 0.00 175.26 174.34 1hg3 s PRO 145 N 2.29 4.15 0.41 0.39 0.02 -1.26 -4.49 135.00 136.51 1hg3 s PRO 145 Ca 0.07 2.53 0.09 0.00 0.02 0.00 0.00 61.00 63.71 1hg3 s PRO 145 Cb -0.15 -3.95 0.90 0.00 0.02 0.00 0.00 34.50 31.32 1hg3 s PRO 145 CO -0.20 -0.89 2.03 -1.35 -0.33 0.00 0.00 177.00 176.26 1hg3 h PRO 146 N 9.76 0.52 0.00 5.54 0.11 -1.93 -2.14 132.00 143.86 1hg3 h PRO 146 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1hg3 h PRO 146 Cb 1.22 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1hg3 h PRO 146 CO 0.94 0.34 0.00 0.39 -0.21 0.00 0.00 178.00 179.47 1hg3 n GLU 147 N -4.47 0.01 -0.00 1.05 4.71 -1.26 -2.20 120.64 118.48 1hg3 n GLU 147 Ca 0.06 0.35 0.04 0.00 -0.01 0.00 0.00 57.16 57.59 1hg3 n GLU 147 Cb 0.16 -1.53 -0.06 0.00 -1.01 0.00 0.00 31.44 29.01 1hg3 n GLU 147 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1hg3 n LEU 148 N -1.55 0.23 -0.32 -4.62 4.77 -0.82 -4.74 117.00 109.95 1hg3 n LEU 148 Ca 0.02 -0.29 0.27 0.00 -0.03 0.00 0.00 56.01 55.98 1hg3 n LEU 148 Cb 0.11 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.61 1hg3 n LEU 148 CO 0.09 0.06 0.85 -0.38 -1.33 0.00 0.00 177.39 176.68 1hg3 n ILE 149 N -1.45 0.00 -1.03 -0.08 2.08 -0.93 -2.07 119.36 115.88 1hg3 n ILE 149 Ca 0.00 0.85 0.00 0.00 0.56 0.00 0.00 62.75 64.17 1hg3 n ILE 149 Cb 0.17 -1.46 0.00 0.00 -0.75 0.00 0.00 39.64 37.60 1hg3 n ILE 149 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1hg3 n GLY 150 N -1.48 1.00 0.12 7.39 0.00 -1.26 -4.57 105.19 106.40 1hg3 n GLY 150 Ca 0.22 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.33 1hg3 n GLY 150 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hg3 n THR 151 N 0.00 1.15 -1.00 2.61 -2.24 -0.88 -4.83 114.28 109.10 1hg3 n THR 151 Ca 0.00 0.57 0.00 0.00 -2.27 0.00 0.00 64.05 62.35 1hg3 n THR 151 Cb 0.19 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 66.87 1hg3 n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hg3 n GLY 152 N -1.01 0.58 3.52 3.38 0.00 -1.26 -5.00 105.19 105.41 1hg3 n GLY 152 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1hg3 n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hg3 s ILE 153 N -2.36 5.09 0.27 -0.61 1.01 -1.26 -4.83 121.20 118.51 1hg3 s ILE 153 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.31 1hg3 s ILE 153 Cb 0.00 -3.95 -0.13 0.00 0.01 0.00 0.00 42.46 38.39 1hg3 s ILE 153 CO 0.00 -0.26 1.30 -2.65 0.00 0.00 0.00 174.94 173.33 1hg3 n PRO 154 N 5.57 1.90 0.18 2.79 -0.02 -1.17 -3.88 135.00 140.36 1hg3 n PRO 154 Ca -0.07 0.67 0.05 0.00 -2.02 0.00 0.00 63.50 62.13 1hg3 n PRO 154 Cb 0.48 -2.26 0.23 0.00 -0.02 0.00 0.00 33.50 31.93 1hg3 n PRO 154 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1hg3 h VAL 155 N 2.74 0.79 0.00 -1.45 -1.51 -1.56 -2.09 116.25 113.18 1hg3 h VAL 155 Ca -0.44 -1.72 -0.10 0.00 -1.23 0.00 0.00 66.70 63.21 1hg3 h VAL 155 Cb 1.29 2.10 -0.01 0.00 -2.13 0.00 0.00 31.29 32.54 1hg3 h VAL 155 CO 0.70 0.38 -0.46 0.77 -1.23 0.00 0.00 177.57 177.73 1hg3 h SER 156 N 0.00 0.00 0.00 4.19 4.64 -1.89 -3.28 113.55 117.21 1hg3 h SER 156 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hg3 h SER 156 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1hg3 h SER 156 CO 0.05 0.46 -0.00 0.11 -0.87 0.00 0.00 176.83 176.58 1hg3 h LYS 157 N 0.00 -0.00 -5.62 4.77 1.57 -1.90 -3.41 116.57 111.98 1hg3 h LYS 157 Ca -0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.12 1hg3 h LYS 157 Cb 0.95 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.19 1hg3 h LYS 157 CO 0.06 -0.00 -0.46 0.00 -0.57 0.00 0.00 179.45 178.48 1hg3 s ALA 158 N -2.66 3.84 -0.85 3.86 0.00 -0.80 -4.46 121.76 120.68 1hg3 s ALA 158 Ca -0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 1hg3 s ALA 158 Cb 0.00 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 21.09 1hg3 s ALA 158 CO 0.00 0.54 0.74 1.63 0.00 0.00 0.00 175.76 178.67 1hg3 n LYS 159 N 2.19 -4.98 0.29 0.00 5.02 -1.26 -4.30 118.16 115.13 1hg3 n LYS 159 Ca -0.19 0.53 0.15 0.00 -2.02 0.00 0.00 58.31 56.79 1hg3 n LYS 159 Cb 0.54 -4.66 0.89 0.00 -0.02 0.00 0.00 35.03 31.79 1hg3 n LYS 159 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1hg3 h PRO 160 N -1.66 0.00 -0.45 1.97 0.11 -1.78 -1.64 132.00 128.55 1hg3 h PRO 160 Ca -0.36 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.76 1hg3 h PRO 160 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1hg3 h PRO 160 CO 0.35 0.04 0.30 0.93 -0.21 0.00 0.00 178.00 179.41 1hg3 h GLU 161 N 0.00 0.56 0.00 1.05 3.07 -1.91 -0.05 114.58 117.30 1hg3 h GLU 161 Ca -0.00 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1hg3 h GLU 161 Cb 0.12 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1hg3 h GLU 161 CO 0.01 0.37 -0.04 0.28 -1.40 0.00 0.00 179.01 178.23 1hg3 h VAL 162 N 0.58 0.84 0.05 3.13 2.07 -1.67 0.26 116.25 121.52 1hg3 h VAL 162 Ca 0.17 -0.16 -0.17 0.00 0.82 0.00 0.00 66.70 67.36 1hg3 h VAL 162 Cb -0.02 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1hg3 h VAL 162 CO -0.04 0.04 -0.89 0.40 0.02 0.00 0.00 177.57 177.10 1hg3 h ILE 163 N 0.00 1.27 -0.33 4.57 2.04 -1.17 -3.16 117.51 120.73 1hg3 h ILE 163 Ca -0.00 -2.33 -0.02 0.00 1.00 0.00 0.00 64.86 63.51 1hg3 h ILE 163 Cb 0.09 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 1hg3 h ILE 163 CO 0.01 0.55 0.13 0.74 0.00 0.00 0.00 178.15 179.58 1hg3 h THR 164 N -0.74 1.18 -0.23 -0.27 2.02 -1.03 -0.50 112.91 113.35 1hg3 h THR 164 Ca -0.21 -0.57 -0.06 0.00 0.77 0.00 0.00 66.41 66.35 1hg3 h THR 164 Cb 1.38 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 1hg3 h THR 164 CO -0.04 0.20 -0.11 0.78 0.37 0.00 0.00 175.52 176.73 1hg3 h ASN 165 N 0.38 0.35 0.20 4.18 2.35 -0.66 -1.72 115.58 120.66 1hg3 h ASN 165 Ca 0.11 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1hg3 h ASN 165 Cb 0.19 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1hg3 h ASN 165 CO -0.01 0.49 -0.10 0.74 -1.65 0.00 0.00 177.43 176.91 1hg3 h THR 166 N 0.35 0.87 -0.83 2.81 2.02 -1.45 0.11 112.91 116.79 1hg3 h THR 166 Ca 0.07 -0.82 0.15 0.00 0.77 0.00 0.00 66.41 66.58 1hg3 h THR 166 Cb 0.41 1.33 -0.10 0.00 -1.74 0.00 0.00 68.15 68.05 1hg3 h THR 166 CO 0.02 0.17 0.40 0.58 0.37 0.00 0.00 175.52 177.06 1hg3 h VAL 167 N -0.71 0.69 0.53 3.16 2.07 -0.93 0.35 116.25 121.41 1hg3 h VAL 167 Ca -0.03 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1hg3 h VAL 167 Cb 0.49 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1hg3 h VAL 167 CO 0.05 0.10 -0.26 -0.33 0.02 0.00 0.00 177.57 177.15 1hg3 h GLU 168 N 0.56 -0.69 -0.56 1.57 5.08 -1.25 -1.48 114.58 117.81 1hg3 h GLU 168 Ca 0.46 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.93 1hg3 h GLU 168 Cb 0.68 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 1hg3 h GLU 168 CO -0.38 -0.40 0.25 -0.07 -1.00 0.00 0.00 179.01 177.40 1hg3 h LEU 169 N -1.10 0.30 -0.00 1.33 3.38 -0.47 -0.45 115.31 118.30 1hg3 h LEU 169 Ca -0.07 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1hg3 h LEU 169 Cb 0.61 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1hg3 h LEU 169 CO 0.12 0.20 0.00 0.58 0.09 0.00 0.00 178.44 179.43 1hg3 h VAL 170 N 0.46 1.05 -0.84 1.22 2.07 -0.37 -0.28 116.25 119.55 1hg3 h VAL 170 Ca 0.27 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.73 1hg3 h VAL 170 Cb 0.26 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 1hg3 h VAL 170 CO -0.23 0.04 0.55 0.50 0.02 0.00 0.00 177.57 178.44 1hg3 h LYS 171 N -0.05 0.81 -0.13 1.57 3.64 -0.78 0.18 116.57 121.81 1hg3 h LYS 171 Ca 0.00 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 1hg3 h LYS 171 Cb 0.06 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1hg3 h LYS 171 CO -0.00 0.53 -0.70 -0.22 -2.27 0.00 0.00 179.45 176.80 1hg3 h LYS 172 N 0.83 0.56 0.07 1.90 3.64 -0.66 -3.16 116.57 119.76 1hg3 h LYS 172 Ca 0.39 -0.43 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1hg3 h LYS 172 Cb 0.39 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1hg3 h LYS 172 CO -0.15 1.06 -0.45 0.28 -2.27 0.00 0.00 179.45 177.91 1hg3 h VAL 173 N 0.40 1.63 -1.73 2.00 2.07 -0.29 -3.45 116.25 116.87 1hg3 h VAL 173 Ca -0.03 -2.41 -0.23 0.00 0.82 0.00 0.00 66.70 64.85 1hg3 h VAL 173 Cb 1.28 3.24 -0.29 0.00 -1.52 0.00 0.00 31.29 34.01 1hg3 h VAL 173 CO 0.13 0.66 -0.57 0.21 0.02 0.00 0.00 177.57 178.02 1hg3 s ASN 174 N -6.63 0.49 0.62 0.57 3.84 0.58 -4.88 114.94 109.53 1hg3 s ASN 174 Ca -0.16 -0.70 0.31 0.00 0.21 0.00 0.00 52.86 52.52 1hg3 s ASN 174 Cb -0.01 1.02 1.72 0.00 -0.55 0.00 0.00 41.25 43.43 1hg3 s ASN 174 CO 0.77 -0.32 2.05 -0.65 -2.79 0.00 0.00 177.10 176.16 1hg3 h PRO 175 N 7.84 0.00 0.00 0.43 0.11 -1.69 -2.36 132.00 136.33 1hg3 h PRO 175 Ca -0.05 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 1hg3 h PRO 175 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1hg3 h PRO 175 CO 0.24 0.00 -0.32 0.93 -0.21 0.00 0.00 178.00 178.64 1hg3 h GLU 176 N 0.00 0.00 -6.67 1.05 5.08 -1.91 -3.45 114.58 108.68 1hg3 h GLU 176 Ca 0.07 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.92 1hg3 h GLU 176 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1hg3 h GLU 176 CO -0.00 0.14 0.43 0.08 -1.00 0.00 0.00 179.01 178.65 1hg3 s VAL 177 N -3.16 4.01 0.06 3.13 1.01 -0.89 -4.98 120.40 119.59 1hg3 s VAL 177 Ca 0.05 1.80 0.01 0.00 0.00 0.00 0.00 61.98 63.84 1hg3 s VAL 177 Cb 0.06 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1hg3 s VAL 177 CO 0.71 0.34 0.11 -0.54 0.00 0.00 0.00 175.10 175.72 1hg3 s LYS 178 N -0.54 3.07 -0.10 2.72 -0.14 -0.89 -4.84 119.74 119.01 1hg3 s LYS 178 Ca 0.47 -0.58 -0.01 0.00 -1.36 0.00 0.00 55.97 54.49 1hg3 s LYS 178 Cb -0.28 -2.84 -0.03 0.00 -1.68 0.00 0.00 37.83 33.01 1hg3 s LYS 178 CO 0.34 0.59 -0.06 0.08 -0.76 0.00 0.00 175.35 175.55 1hg3 s VAL 179 N -1.38 3.76 0.21 3.17 1.01 -1.26 -0.98 120.40 124.94 1hg3 s VAL 179 Ca 0.29 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.90 1hg3 s VAL 179 Cb -0.12 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1hg3 s VAL 179 CO 0.22 0.56 -0.08 -0.76 0.00 0.00 0.00 175.10 175.04 1hg3 s LEU 180 N -0.36 2.45 0.11 3.92 1.43 -0.52 -0.25 118.68 125.47 1hg3 s LEU 180 Ca 0.05 -1.10 0.05 0.00 -1.03 0.00 0.00 54.13 52.10 1hg3 s LEU 180 Cb -0.12 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.56 1hg3 s LEU 180 CO 0.02 -0.32 -0.12 0.00 0.23 0.00 0.00 176.35 176.16 1hg3 s GLY 182 N -2.50 1.46 0.00 0.00 0.00 0.31 -1.66 107.32 104.93 1hg3 s GLY 182 Ca 0.08 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.23 1hg3 s GLY 182 CO 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 173.10 171.96 1hg3 n ALA 183 N -0.44 -0.65 -0.32 3.20 0.00 -1.24 -4.28 120.51 116.78 1hg3 n ALA 183 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1hg3 n ALA 183 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1hg3 n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hg3 n GLY 184 N 2.06 1.86 3.64 0.00 0.00 -1.25 -1.87 105.19 109.62 1hg3 n GLY 184 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1hg3 n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hg3 s ILE 185 N -3.14 3.76 0.00 -0.61 -1.09 -1.26 -3.06 121.20 115.80 1hg3 s ILE 185 Ca 0.00 0.88 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 1hg3 s ILE 185 Cb 0.00 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 1hg3 s ILE 185 CO 0.00 -0.23 0.00 -1.54 -1.23 0.00 0.00 174.94 171.94 1hg3 n SER 186 N 7.89 0.16 -4.80 3.58 3.41 -1.26 -4.59 113.62 117.99 1hg3 n SER 186 Ca 0.18 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.48 1hg3 n SER 186 Cb 0.45 0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 1hg3 n SER 186 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1hg3 s THR 187 N -0.14 4.70 0.46 6.66 2.01 -1.26 -4.63 115.64 123.44 1hg3 s THR 187 Ca 0.00 -0.70 0.25 0.00 0.31 0.00 0.00 61.69 61.56 1hg3 s THR 187 Cb 0.00 -3.27 0.29 0.00 0.01 0.00 0.00 72.50 69.53 1hg3 s THR 187 CO 0.00 0.13 2.10 1.23 -0.69 0.00 0.00 174.62 177.38 1hg3 h GLY 188 N 3.25 0.00 1.08 4.40 0.00 -1.78 -1.58 103.07 108.44 1hg3 h GLY 188 Ca -0.46 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 1hg3 h GLY 188 CO 0.68 0.00 -0.13 -2.09 0.00 0.00 0.00 176.54 175.00 1hg3 h GLU 189 N 0.00 0.99 -0.84 4.80 4.81 -1.89 -0.56 114.58 121.90 1hg3 h GLU 189 Ca -0.00 -0.38 -0.03 0.00 -0.13 0.00 0.00 59.36 58.82 1hg3 h GLU 189 Cb 0.26 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1hg3 h GLU 189 CO 0.01 1.06 0.42 -0.44 -0.73 0.00 0.00 179.01 179.33 1hg3 h ASP 190 N 0.86 1.07 -0.32 1.04 3.32 -1.70 0.33 116.42 121.03 1hg3 h ASP 190 Ca 0.13 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1hg3 h ASP 190 Cb 0.70 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1hg3 h ASP 190 CO 0.05 0.89 -0.04 0.58 -1.72 0.00 0.00 179.24 179.01 1hg3 h VAL 191 N 1.18 1.24 -0.22 -1.35 2.07 -1.09 0.92 116.25 119.00 1hg3 h VAL 191 Ca 0.29 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 1hg3 h VAL 191 Cb 0.09 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1hg3 h VAL 191 CO -0.04 0.34 -0.09 0.50 0.02 0.00 0.00 177.57 178.31 1hg3 h LYS 192 N 0.65 0.44 0.41 1.57 3.64 0.08 -2.61 116.57 120.75 1hg3 h LYS 192 Ca 0.13 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1hg3 h LYS 192 Cb 0.46 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1hg3 h LYS 192 CO 0.02 0.71 -0.20 0.87 -2.27 0.00 0.00 179.45 178.58 1hg3 h LYS 193 N 0.16 -0.53 -0.72 1.90 1.57 -0.03 -1.58 116.57 117.34 1hg3 h LYS 193 Ca 0.05 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.00 1hg3 h LYS 193 Cb 0.57 0.12 -0.13 0.00 0.08 0.00 0.00 32.23 32.86 1hg3 h LYS 193 CO 0.03 -0.31 -0.29 0.00 -0.57 0.00 0.00 179.45 178.31 1hg3 h ALA 194 N -0.05 0.20 -0.72 3.86 0.00 -0.85 0.17 119.26 121.88 1hg3 h ALA 194 Ca -0.06 0.23 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1hg3 h ALA 194 Cb 0.46 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1hg3 h ALA 194 CO 0.09 -0.56 0.18 0.82 0.00 0.00 0.00 179.25 179.78 1hg3 h ILE 195 N -0.08 1.26 -0.97 0.00 2.04 -1.36 -2.58 117.51 115.83 1hg3 h ILE 195 Ca 0.30 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.22 1hg3 h ILE 195 Cb 0.56 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1hg3 h ILE 195 CO -0.77 0.37 0.64 -0.33 0.00 0.00 0.00 178.15 178.06 1hg3 h GLU 196 N 1.09 1.25 0.00 2.37 5.08 -0.00 -1.28 114.58 123.08 1hg3 h GLU 196 Ca 0.23 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1hg3 h GLU 196 Cb 0.36 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1hg3 h GLU 196 CO 0.00 0.82 0.00 1.28 -1.00 0.00 0.00 179.01 180.12 1hg3 n LEU 197 N -4.43 0.00 0.00 1.33 4.77 -0.22 -4.78 117.00 113.67 1hg3 n LEU 197 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1hg3 n LEU 197 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1hg3 n LEU 197 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1hg3 n GLY 198 N -0.18 0.70 3.85 -0.72 0.00 -0.49 -4.60 105.19 103.75 1hg3 n GLY 198 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1hg3 n GLY 198 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hg3 s THR 199 N -2.00 3.88 -1.60 2.61 2.01 -1.00 -4.86 115.64 114.67 1hg3 s THR 199 Ca 0.00 0.61 0.14 0.00 0.31 0.00 0.00 61.69 62.75 1hg3 s THR 199 Cb 0.00 -3.49 0.20 0.00 0.01 0.00 0.00 72.50 69.22 1hg3 s THR 199 CO 0.00 -0.80 1.07 0.52 -0.69 0.00 0.00 174.62 174.72 1hg3 n VAL 200 N -3.05 0.31 -3.97 3.82 0.31 0.65 -4.47 118.33 111.93 1hg3 n VAL 200 Ca 0.07 -0.65 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 1hg3 n VAL 200 Cb 0.55 1.05 0.00 0.00 -0.91 0.00 0.00 33.84 34.53 1hg3 n VAL 200 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hg3 n GLY 201 N 0.80 -1.08 3.00 2.92 0.00 -1.26 -1.12 105.19 108.45 1hg3 n GLY 201 Ca 0.10 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 1hg3 n GLY 201 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hg3 s VAL 202 N -3.00 0.22 -0.20 1.61 1.01 0.23 -3.08 120.40 117.19 1hg3 s VAL 202 Ca 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1hg3 s VAL 202 Cb 0.00 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 36.05 1hg3 s VAL 202 CO 0.00 -0.44 -0.12 -0.22 0.00 0.00 0.00 175.10 174.32 1hg3 s LEU 203 N -1.40 2.53 0.23 3.92 2.96 -0.66 -0.26 118.68 125.99 1hg3 s LEU 203 Ca -0.14 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.21 1hg3 s LEU 203 Cb -0.09 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1hg3 s LEU 203 CO -0.01 -0.01 0.24 -1.48 -1.32 0.00 0.00 176.35 173.77 1hg3 s LEU 204 N 1.38 0.98 0.00 -0.68 0.05 -0.55 -3.69 118.68 116.17 1hg3 s LEU 204 Ca 0.05 -1.31 0.00 0.00 0.05 0.00 0.00 54.13 52.93 1hg3 s LEU 204 Cb -0.14 0.78 0.00 0.00 -2.05 0.00 0.00 46.19 44.79 1hg3 s LEU 204 CO -0.08 -0.95 0.00 0.00 -0.55 0.00 0.00 176.35 174.77 1hg3 n ALA 205 N -0.34 1.58 -0.34 1.48 0.00 -1.26 0.21 120.51 121.84 1hg3 n ALA 205 Ca 0.01 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.70 1hg3 n ALA 205 Cb 0.65 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.62 1hg3 n ALA 205 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1hg3 h SER 206 N 0.00 0.43 -1.02 0.00 4.64 -1.91 -0.36 113.55 115.33 1hg3 h SER 206 Ca 0.00 0.09 0.26 0.00 -0.47 0.00 0.00 61.79 61.67 1hg3 h SER 206 Cb 0.00 0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 62.03 1hg3 h SER 206 CO 0.00 0.05 0.66 1.23 -0.87 0.00 0.00 176.83 177.90 1hg3 h GLY 207 N 0.36 1.16 0.00 -0.77 0.00 -1.93 0.11 103.07 102.00 1hg3 h GLY 207 Ca 0.62 -0.20 -0.46 0.00 0.00 0.00 0.00 47.33 47.29 1hg3 h GLY 207 CO -0.32 -0.11 -2.51 -0.62 0.00 0.00 0.00 176.54 172.98 1hg3 n VAL 208 N -4.61 1.53 -0.25 4.60 0.31 -0.56 -4.04 118.33 115.31 1hg3 n VAL 208 Ca 0.24 -0.37 0.21 0.00 -0.01 0.00 0.00 64.34 64.41 1hg3 n VAL 208 Cb 0.85 -1.89 0.53 0.00 -0.91 0.00 0.00 33.84 32.42 1hg3 n VAL 208 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hg3 h THR 209 N -1.00 0.64 -0.01 2.52 1.03 -0.94 -1.70 112.91 113.46 1hg3 h THR 209 Ca -0.69 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 65.58 1hg3 h THR 209 Cb 1.60 0.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.92 1hg3 h THR 209 CO -0.42 0.07 -0.46 0.29 -0.01 0.00 0.00 175.52 174.99 1hg3 n LYS 210 N -4.50 1.39 -1.95 0.00 4.76 0.37 -4.72 118.16 113.50 1hg3 n LYS 210 Ca 0.20 -0.82 -0.42 0.00 -2.87 0.00 0.00 58.31 54.41 1hg3 n LYS 210 Cb 0.75 -1.38 -0.03 0.00 -1.84 0.00 0.00 35.03 32.54 1hg3 n LYS 210 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hg3 s ALA 211 N -2.25 3.72 0.33 7.82 0.00 -0.64 -4.88 121.76 125.85 1hg3 s ALA 211 Ca 0.15 1.38 0.04 0.00 0.00 0.00 0.00 51.96 53.52 1hg3 s ALA 211 Cb 0.15 -3.60 0.64 0.00 0.00 0.00 0.00 23.12 20.32 1hg3 s ALA 211 CO 0.52 -0.79 1.92 0.87 0.00 0.00 0.00 175.76 178.28 1hg3 h LYS 212 N 5.88 0.86 -3.04 0.00 1.57 -1.94 -3.27 116.57 116.64 1hg3 h LYS 212 Ca -0.44 -0.05 -0.62 0.00 -1.87 0.00 0.00 60.65 57.67 1hg3 h LYS 212 Cb 1.21 -0.19 -0.41 0.00 0.08 0.00 0.00 32.23 32.92 1hg3 h LYS 212 CO 0.85 0.57 -0.69 0.34 -0.57 0.00 0.00 179.45 179.95 1hg3 s ASP 213 N -6.05 3.93 0.27 0.86 2.15 -1.26 -5.00 116.67 111.57 1hg3 s ASP 213 Ca -0.11 -3.18 -0.03 0.00 0.43 0.00 0.00 52.55 49.66 1hg3 s ASP 213 Cb 0.20 -1.31 0.56 0.00 -0.30 0.00 0.00 42.92 42.07 1hg3 s ASP 213 CO 0.79 -0.19 1.63 -0.65 -0.17 0.00 0.00 175.17 176.58 1hg3 h PRO 214 N 6.10 0.11 -0.06 4.34 0.11 -1.80 -1.73 132.00 139.07 1hg3 h PRO 214 Ca 0.06 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.19 1hg3 h PRO 214 Cb 0.86 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 1hg3 h PRO 214 CO 0.60 0.07 -0.10 1.49 -0.21 0.00 0.00 178.00 179.85 1hg3 h GLU 215 N 0.11 -0.14 -0.85 1.05 4.81 -1.93 0.13 114.58 117.77 1hg3 h GLU 215 Ca 0.48 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.78 1hg3 h GLU 215 Cb 0.91 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.26 1hg3 h GLU 215 CO -0.71 -0.09 0.53 -0.22 -0.73 0.00 0.00 179.01 177.79 1hg3 h LYS 216 N -0.14 0.95 -0.60 1.92 3.64 -1.75 0.13 116.57 120.72 1hg3 h LYS 216 Ca 0.06 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1hg3 h LYS 216 Cb 0.22 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1hg3 h LYS 216 CO -0.14 0.63 0.23 0.00 -2.27 0.00 0.00 179.45 177.89 1hg3 h ALA 217 N 1.39 0.78 -0.54 5.00 0.00 -0.62 0.14 119.26 125.41 1hg3 h ALA 217 Ca 0.36 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1hg3 h ALA 217 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1hg3 h ALA 217 CO -0.16 0.41 0.01 0.82 0.00 0.00 0.00 179.25 180.33 1hg3 h ILE 218 N 0.84 1.26 -0.79 0.00 2.04 0.02 -2.19 117.51 118.70 1hg3 h ILE 218 Ca 0.20 -1.09 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 1hg3 h ILE 218 Cb 0.22 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1hg3 h ILE 218 CO -0.01 0.39 0.35 -0.50 0.00 0.00 0.00 178.15 178.37 1hg3 h TRP 219 N 0.83 1.15 0.02 1.37 4.06 -0.38 -0.67 115.95 122.33 1hg3 h TRP 219 Ca 0.15 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 61.04 1hg3 h TRP 219 Cb 0.52 -0.35 -0.00 0.00 -1.00 0.00 0.00 29.16 28.32 1hg3 h TRP 219 CO 0.04 0.85 -0.03 0.22 -3.56 0.00 0.00 178.44 175.97 1hg3 h ASP 220 N 1.13 -0.07 -0.40 -3.49 1.82 -0.74 0.18 116.42 114.85 1hg3 h ASP 220 Ca 0.27 0.01 0.05 0.00 -0.39 0.00 0.00 57.03 56.97 1hg3 h ASP 220 Cb 0.16 0.03 -0.05 0.00 0.68 0.00 0.00 39.33 40.15 1hg3 h ASP 220 CO -0.03 -0.04 0.12 -0.07 -1.61 0.00 0.00 179.24 177.61 1hg3 h LEU 221 N -0.06 0.10 -1.45 2.28 3.38 -0.98 -1.83 115.31 116.75 1hg3 h LEU 221 Ca 0.00 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1hg3 h LEU 221 Cb 0.06 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1hg3 h LEU 221 CO -0.01 0.09 -0.28 0.58 0.09 0.00 0.00 178.44 178.91 1hg3 h VAL 222 N 0.26 1.15 0.00 1.22 2.07 -0.76 -1.92 116.25 118.28 1hg3 h VAL 222 Ca 0.19 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1hg3 h VAL 222 Cb 0.19 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1hg3 h VAL 222 CO -0.21 0.27 0.00 0.77 0.02 0.00 0.00 177.57 178.42 1hg3 h SER 223 N 0.00 0.00 -0.14 0.57 4.64 0.24 0.52 113.55 119.38 1hg3 h SER 223 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hg3 h SER 223 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1hg3 h SER 223 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1hg3 n GLY 224 N -0.90 1.13 0.00 -0.77 0.00 -0.72 -4.98 105.19 98.95 1hg3 n GLY 224 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1hg3 n GLY 224 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71